NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype | subsubtype |
22695 | 2jqd | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
ASSI { 204} (( segid " " and resid 67 and name HN )) (( segid " " and resid 67 and name HA )) 3.200 1.200 1.200 peak 204 spectrum 1 weight 0.10000E+01 volume 0.91009E-03 ppm1 9.161 ppm2 4.838 CV 1 ASSI { 205} (( segid " " and resid 77 and name HN )) (( segid " " and resid 77 and name HA )) 3.000 1.100 1.100 peak 205 spectrum 1 weight 0.10000E+01 volume 0.19798E-02 ppm1 9.146 ppm2 4.973 CV 1 ASSI { 206} (( segid " " and resid 49 and name HN )) (( segid " " and resid 49 and name HA )) 3.000 1.100 1.100 peak 206 spectrum 1 weight 0.10000E+01 volume 0.15660E-02 ppm1 9.084 ppm2 4.273 CV 1 ASSI { 207} (( segid " " and resid 23 and name HN )) (( segid " " and resid 23 and name HA )) 3.200 1.300 1.300 peak 207 spectrum 1 weight 0.10000E+01 volume 0.10011E-02 ppm1 9.040 ppm2 4.185 CV 1 ASSI { 208} (( segid " " and resid 154 and name HN )) (( segid " " and resid 154 and name HA )) 2.700 0.900 0.900 peak 208 spectrum 1 weight 0.10000E+01 volume 0.30866E-02 ppm1 9.024 ppm2 3.822 CV 1 ASSI { 209} (( segid " " and resid 116 and name HN )) (( segid " " and resid 116 and name HA )) 2.800 1.000 1.000 peak 209 spectrum 1 weight 0.10000E+01 volume 0.15660E-02 ppm1 9.005 ppm2 4.830 CV 1 ASSI { 210} (( segid " " and resid 80 and name HN )) (( segid " " and resid 80 and name HA )) 2.600 0.800 0.800 peak 210 spectrum 1 weight 0.10000E+01 volume 0.35966E-02 ppm1 9.026 ppm2 3.989 CV 1 ASSI { 211} (( segid " " and resid 114 and name HN )) (( segid " " and resid 114 and name HA )) 2.800 1.000 1.000 peak 211 spectrum 1 weight 0.10000E+01 volume 0.33055E-02 ppm1 9.018 ppm2 4.834 CV 1 ASSI { 212} (( segid " " and resid 145 and name HN )) (( segid " " and resid 145 and name HA )) 2.800 1.000 1.000 peak 212 spectrum 1 weight 0.10000E+01 volume 0.21120E-02 ppm1 8.995 ppm2 5.562 CV 1 ASSI { 213} (( segid " " and resid 130 and name HN )) (( segid " " and resid 130 and name HA )) 2.200 0.600 0.600 peak 213 spectrum 1 weight 0.10000E+01 volume 0.76403E-02 ppm1 8.978 ppm2 4.180 CV 1 ASSI { 216} (( segid " " and resid 114 and name HN )) (( segid " " and resid 114 and name HB3 )) 3.300 1.300 1.300 peak 216 spectrum 1 weight 0.10000E+01 volume 0.31747E-02 ppm1 9.018 ppm2 2.511 CV 1 ASSI { 217} (( segid " " and resid 101 and name HN )) (( segid " " and resid 101 and name HA )) 2.300 0.600 0.600 peak 217 spectrum 1 weight 0.10000E+01 volume 0.10146E-01 ppm1 8.946 ppm2 4.193 CV 1 ASSI { 218} (( segid " " and resid 24 and name HN )) (( segid " " and resid 24 and name HA )) 3.700 1.700 1.700 peak 218 spectrum 1 weight 0.10000E+01 volume 0.53800E-03 ppm1 8.941 ppm2 4.420 CV 1 ASSI { 219} (( segid " " and resid 64 and name HN )) (( segid " " and resid 64 and name HA )) 2.700 0.900 0.900 peak 219 spectrum 1 weight 0.10000E+01 volume 0.37033E-02 ppm1 8.943 ppm2 4.322 CV 1 ASSI { 221} (( segid " " and resid 95 and name HN )) (( segid " " and resid 95 and name HA )) 3.000 1.100 1.100 peak 221 spectrum 1 weight 0.10000E+01 volume 0.16942E-02 ppm1 8.939 ppm2 4.225 CV 1 ASSI { 222} (( segid " " and resid 70 and name HN )) (( segid " " and resid 70 and name HA )) 3.400 1.500 1.500 peak 222 spectrum 1 weight 0.10000E+01 volume 0.60409E-03 ppm1 8.934 ppm2 4.759 CV 1 ASSI { 223} (( segid " " and resid 91 and name HN )) (( segid " " and resid 91 and name HA )) 3.100 1.200 1.200 peak 223 spectrum 1 weight 0.10000E+01 volume 0.81063E-03 ppm1 8.882 ppm2 5.263 CV 1 ASSI { 224} (( segid " " and resid 70 and name HN )) (( segid " " and resid 70 and name HB2 )) 2.700 0.900 0.900 peak 224 spectrum 1 weight 0.10000E+01 volume 0.16354E-02 ppm1 8.934 ppm2 2.509 CV 1 ASSI { 228} (( segid " " and resid 91 and name HN )) (( segid " " and resid 91 and name HB3 )) 2.900 1.000 1.000 peak 228 spectrum 1 weight 0.10000E+01 volume 0.25366E-02 ppm1 8.883 ppm2 1.791 CV 1 ASSI { 229} (( segid " " and resid 97 and name HN )) (( segid " " and resid 97 and name HA2 )) 3.000 1.100 1.100 peak 229 spectrum 1 weight 0.10000E+01 volume 0.35485E-02 ppm1 8.882 ppm2 3.803 CV 1 ASSI { 230} (( segid " " and resid 147 and name HN )) (( segid " " and resid 147 and name HA1 )) 2.600 0.800 0.800 peak 230 spectrum 1 weight 0.10000E+01 volume 0.32080E-02 ppm1 8.875 ppm2 4.260 CV 1 ASSI { 231} (( segid " " and resid 147 and name HN )) (( segid " " and resid 147 and name HA2 )) 3.000 1.100 1.100 peak 231 spectrum 1 weight 0.10000E+01 volume 0.41065E-02 ppm1 8.875 ppm2 3.557 CV 1 ASSI { 232} (( segid " " and resid 73 and name HN )) (( segid " " and resid 73 and name HA )) 2.500 0.800 0.800 peak 232 spectrum 1 weight 0.10000E+01 volume 0.36847E-02 ppm1 8.847 ppm2 3.997 CV 1 ASSI { 233} (( segid " " and resid 57 and name HN )) (( segid " " and resid 57 and name HA )) 3.100 1.200 1.200 peak 233 spectrum 1 weight 0.10000E+01 volume 0.12957E-02 ppm1 8.830 ppm2 4.751 CV 1 ASSI { 234} (( segid " " and resid 153 and name HN )) (( segid " " and resid 153 and name HA )) 2.700 0.900 0.900 peak 234 spectrum 1 weight 0.10000E+01 volume 0.29865E-02 ppm1 8.797 ppm2 4.716 CV 1 ASSI { 235} (( segid " " and resid 153 and name HN )) (( segid " " and resid 153 and name HB2 )) 2.400 0.700 0.700 peak 235 spectrum 1 weight 0.10000E+01 volume 0.53133E-02 ppm1 8.797 ppm2 2.114 CV 1 ASSI { 236} (( segid " " and resid 153 and name HN )) (( segid " " and resid 153 and name HB3 )) 3.200 1.300 1.300 peak 236 spectrum 1 weight 0.10000E+01 volume 0.33202E-02 ppm1 8.797 ppm2 1.942 CV 1 ASSI { 237} (( segid " " and resid 153 and name HN )) (( segid " " and resid 153 and name HD3 )) 4.300 2.300 1.700 peak 237 spectrum 1 weight 0.10000E+01 volume 0.91370E-03 ppm1 8.797 ppm2 1.765 CV 1 OR { 237} (( segid " " and resid 153 and name HN )) (( segid " " and resid 153 and name HD2 )) ASSI { 238} (( segid " " and resid 153 and name HN )) (( segid " " and resid 153 and name HG3 )) 2.800 1.000 1.000 peak 238 spectrum 1 weight 0.10000E+01 volume 0.28730E-02 ppm1 8.797 ppm2 1.493 CV 1 OR { 238} (( segid " " and resid 153 and name HN )) (( segid " " and resid 153 and name HG2 )) ASSI { 239} (( segid " " and resid 26 and name HN )) (( segid " " and resid 26 and name HA )) 2.200 0.600 0.600 peak 239 spectrum 1 weight 0.10000E+01 volume 0.10763E-01 ppm1 8.760 ppm2 4.511 CV 1 ASSI { 240} (( segid " " and resid 26 and name HN )) (( segid " " and resid 26 and name HB2 )) 3.900 1.900 1.900 peak 240 spectrum 1 weight 0.10000E+01 volume 0.95869E-03 ppm1 8.760 ppm2 3.146 CV 1 ASSI { 241} (( segid " " and resid 13 and name HN )) (( segid " " and resid 13 and name HA )) 2.500 0.800 0.800 peak 241 spectrum 1 weight 0.10000E+01 volume 0.68832E-02 ppm1 8.753 ppm2 4.408 CV 1 ASSI { 243} (( segid " " and resid 13 and name HN )) (( segid " " and resid 13 and name HB3 )) 3.400 1.500 1.500 peak 243 spectrum 1 weight 0.10000E+01 volume 0.16060E-02 ppm1 8.753 ppm2 2.937 CV 1 ASSI { 244} (( segid " " and resid 75 and name HN )) (( segid " " and resid 75 and name HA )) 3.200 1.300 1.300 peak 244 spectrum 1 weight 0.10000E+01 volume 0.12150E-02 ppm1 8.703 ppm2 4.659 CV 1 ASSI { 245} (( segid " " and resid 75 and name HN )) (( segid " " and resid 75 and name HB3 )) 3.200 1.300 1.300 peak 245 spectrum 1 weight 0.10000E+01 volume 0.22615E-02 ppm1 8.702 ppm2 1.544 CV 1 ASSI { 246} (( segid " " and resid 65 and name HN )) (( segid " " and resid 65 and name HA )) 2.900 1.000 1.000 peak 246 spectrum 1 weight 0.10000E+01 volume 0.26353E-02 ppm1 8.698 ppm2 4.412 CV 1 ASSI { 247} (( segid " " and resid 65 and name HN )) (( segid " " and resid 65 and name HB2 )) 2.500 0.800 0.800 peak 247 spectrum 1 weight 0.10000E+01 volume 0.26327E-02 ppm1 8.698 ppm2 1.829 CV 1 ASSI { 248} (( segid " " and resid 65 and name HN )) (( segid " " and resid 65 and name HB3 )) 3.400 1.500 1.500 peak 248 spectrum 1 weight 0.10000E+01 volume 0.34897E-02 ppm1 8.698 ppm2 1.578 CV 1 ASSI { 249} (( segid " " and resid 89 and name HN )) (( segid " " and resid 89 and name HA )) 3.000 1.100 1.100 peak 249 spectrum 1 weight 0.10000E+01 volume 0.23443E-02 ppm1 8.688 ppm2 4.902 CV 1 ASSI { 250} (( segid " " and resid 89 and name HN )) (( segid " " and resid 89 and name HB2 )) 2.600 0.900 0.900 peak 250 spectrum 1 weight 0.10000E+01 volume 0.24711E-02 ppm1 8.689 ppm2 2.803 CV 1 ASSI { 251} (( segid " " and resid 89 and name HN )) (( segid " " and resid 89 and name HB3 )) 3.600 1.600 1.600 peak 251 spectrum 1 weight 0.10000E+01 volume 0.27902E-02 ppm1 8.689 ppm2 2.610 CV 1 ASSI { 252} (( segid " " and resid 129 and name HN )) (( segid " " and resid 129 and name HA )) 2.900 1.100 1.100 peak 252 spectrum 1 weight 0.10000E+01 volume 0.21894E-02 ppm1 8.686 ppm2 4.422 CV 1 ASSI { 253} (( segid " " and resid 129 and name HN )) (( segid " " and resid 129 and name HB2 )) 2.700 0.900 0.900 peak 253 spectrum 1 weight 0.10000E+01 volume 0.39757E-02 ppm1 8.686 ppm2 2.794 CV 1 ASSI { 254} (( segid " " and resid 129 and name HN )) (( segid " " and resid 129 and name HB3 )) 3.000 1.100 1.100 peak 254 spectrum 1 weight 0.10000E+01 volume 0.31747E-02 ppm1 8.686 ppm2 2.668 CV 1 ASSI { 255} (( segid " " and resid 39 and name HN )) (( segid " " and resid 39 and name HA )) 2.700 0.900 0.900 peak 255 spectrum 1 weight 0.10000E+01 volume 0.34751E-02 ppm1 8.661 ppm2 4.637 CV 1 ASSI { 256} (( segid " " and resid 39 and name HN )) (( segid " " and resid 39 and name HB2 )) 2.700 0.900 0.900 peak 256 spectrum 1 weight 0.10000E+01 volume 0.45444E-02 ppm1 8.661 ppm2 2.912 CV 1 OR { 256} (( segid " " and resid 39 and name HN )) (( segid " " and resid 39 and name HB3 )) ASSI { 257} (( segid " " and resid 79 and name HN )) (( segid " " and resid 79 and name HA )) 2.100 0.600 0.600 peak 257 spectrum 1 weight 0.10000E+01 volume 0.12154E-01 ppm1 8.646 ppm2 4.661 CV 1 ASSI { 258} (( segid " " and resid 79 and name HN )) (( segid " " and resid 79 and name HB2 )) 3.200 1.300 1.300 peak 258 spectrum 1 weight 0.10000E+01 volume 0.30772E-02 ppm1 8.645 ppm2 2.980 CV 1 OR { 258} (( segid " " and resid 79 and name HN )) (( segid " " and resid 79 and name HB3 )) ASSI { 259} (( segid " " and resid 20 and name HN )) (( segid " " and resid 20 and name HA )) 3.000 1.100 1.100 peak 259 spectrum 1 weight 0.10000E+01 volume 0.19291E-02 ppm1 8.623 ppm2 4.894 CV 1 ASSI { 260} (( segid " " and resid 20 and name HN )) (( segid " " and resid 20 and name HB3 )) 2.700 0.900 0.900 peak 260 spectrum 1 weight 0.10000E+01 volume 0.37474E-02 ppm1 8.622 ppm2 1.905 CV 1 ASSI { 261} (( segid " " and resid 20 and name HN )) (( segid " " and resid 20 and name HG2 )) 3.300 1.300 1.300 peak 261 spectrum 1 weight 0.10000E+01 volume 0.31159E-02 ppm1 8.623 ppm2 1.603 CV 1 OR { 261} (( segid " " and resid 20 and name HN )) (( segid " " and resid 20 and name HG3 )) ASSI { 262} (( segid " " and resid 134 and name HN )) (( segid " " and resid 134 and name HA )) 2.700 0.900 0.900 peak 262 spectrum 1 weight 0.10000E+01 volume 0.36553E-02 ppm1 8.610 ppm2 4.455 CV 1 ASSI { 263} (( segid " " and resid 134 and name HN )) (( segid " " and resid 134 and name HB2 )) 2.200 0.600 0.600 peak 263 spectrum 1 weight 0.10000E+01 volume 0.56701E-02 ppm1 8.610 ppm2 2.905 CV 1 ASSI { 264} (( segid " " and resid 134 and name HN )) (( segid " " and resid 134 and name HB3 )) 3.300 1.400 1.400 peak 264 spectrum 1 weight 0.10000E+01 volume 0.37234E-02 ppm1 8.610 ppm2 2.457 CV 1 ASSI { 265} (( segid " " and resid 143 and name HN )) (( segid " " and resid 143 and name HA )) 3.100 1.200 1.200 peak 265 spectrum 1 weight 0.10000E+01 volume 0.14285E-02 ppm1 8.596 ppm2 4.357 CV 1 ASSI { 267} (( segid " " and resid 143 and name HN )) (( segid " " and resid 143 and name HB2 )) 2.500 0.800 0.800 peak 267 spectrum 1 weight 0.10000E+01 volume 0.25606E-02 ppm1 8.597 ppm2 1.707 CV 1 ASSI { 268} (( segid " " and resid 63 and name HN )) (( segid " " and resid 63 and name HA )) 3.100 1.200 1.200 peak 268 spectrum 1 weight 0.10000E+01 volume 0.12133E-02 ppm1 8.585 ppm2 4.701 CV 1 ASSI { 269} (( segid " " and resid 63 and name HN )) (( segid " " and resid 63 and name HB2 )) 2.600 0.800 0.800 peak 269 spectrum 1 weight 0.10000E+01 volume 0.18877E-02 ppm1 8.585 ppm2 1.770 CV 1 ASSI { 270} (( segid " " and resid 54 and name HN )) (( segid " " and resid 54 and name HA )) 3.000 1.100 1.100 peak 270 spectrum 1 weight 0.10000E+01 volume 0.14525E-02 ppm1 8.570 ppm2 4.087 CV 1 ASSI { 271} (( segid " " and resid 113 and name HN )) (( segid " " and resid 113 and name HA )) 2.600 0.800 0.800 peak 271 spectrum 1 weight 0.10000E+01 volume 0.46058E-02 ppm1 8.556 ppm2 3.863 CV 1 ASSI { 272} (( segid " " and resid 113 and name HN )) (( segid " " and resid 113 and name HG2 )) 2.400 0.700 0.700 peak 272 spectrum 1 weight 0.10000E+01 volume 0.43522E-02 ppm1 8.556 ppm2 2.362 CV 1 ASSI { 275} (( segid " " and resid 15 and name HN )) (( segid " " and resid 15 and name HA )) 2.700 0.900 0.900 peak 275 spectrum 1 weight 0.10000E+01 volume 0.30238E-02 ppm1 8.521 ppm2 4.735 CV 1 ASSI { 276} (( segid " " and resid 15 and name HN )) (( segid " " and resid 15 and name HB )) 3.400 1.400 1.400 peak 276 spectrum 1 weight 0.10000E+01 volume 0.19464E-02 ppm1 8.521 ppm2 4.291 CV 1 ASSI { 278} (( segid " " and resid 58 and name HN )) (( segid " " and resid 58 and name HA )) 2.700 0.900 0.900 peak 278 spectrum 1 weight 0.10000E+01 volume 0.37234E-02 ppm1 8.520 ppm2 4.058 CV 1 ASSI { 279} (( segid " " and resid 152 and name HN )) (( segid " " and resid 152 and name HA )) 2.200 0.600 0.600 peak 279 spectrum 1 weight 0.10000E+01 volume 0.84064E-02 ppm1 8.508 ppm2 4.344 CV 1 ASSI { 280} (( segid " " and resid 152 and name HN )) (( segid " " and resid 152 and name HB2 )) 3.400 1.500 1.500 peak 280 spectrum 1 weight 0.10000E+01 volume 0.17916E-02 ppm1 8.508 ppm2 3.043 CV 1 ASSI { 281} (( segid " " and resid 152 and name HN )) (( segid " " and resid 152 and name HB3 )) 3.400 1.500 1.500 peak 281 spectrum 1 weight 0.10000E+01 volume 0.29037E-02 ppm1 8.508 ppm2 2.928 CV 1 ASSI { 287} (( segid " " and resid 29 and name HN )) (( segid " " and resid 29 and name HB2 )) 3.800 1.800 1.800 peak 287 spectrum 1 weight 0.10000E+01 volume 0.64613E-03 ppm1 8.480 ppm2 3.892 CV 1 ASSI { 288} (( segid " " and resid 43 and name HN )) (( segid " " and resid 43 and name HA )) 2.900 1.100 1.100 peak 288 spectrum 1 weight 0.10000E+01 volume 0.19905E-02 ppm1 8.489 ppm2 4.563 CV 1 ASSI { 289} (( segid " " and resid 43 and name HN )) (( segid " " and resid 43 and name HB2 )) 2.900 1.000 1.000 peak 289 spectrum 1 weight 0.10000E+01 volume 0.17689E-02 ppm1 8.490 ppm2 2.203 CV 1 ASSI { 291} (( segid " " and resid 43 and name HN )) (( segid " " and resid 43 and name HB3 )) 3.500 1.500 1.500 peak 291 spectrum 1 weight 0.10000E+01 volume 0.22175E-02 ppm1 8.490 ppm2 1.690 CV 1 ASSI { 292} (( segid " " and resid 94 and name HN )) (( segid " " and resid 94 and name HA )) 3.200 1.200 1.200 peak 292 spectrum 1 weight 0.10000E+01 volume 0.99497E-03 ppm1 8.467 ppm2 5.396 CV 1 ASSI { 293} (( segid " " and resid 94 and name HN )) (( segid " " and resid 94 and name HB2 )) 3.100 1.200 1.200 peak 293 spectrum 1 weight 0.10000E+01 volume 0.13484E-02 ppm1 8.467 ppm2 3.395 CV 1 ASSI { 294} (( segid " " and resid 94 and name HN )) (( segid " " and resid 94 and name HB3 )) 3.300 1.300 1.300 peak 294 spectrum 1 weight 0.10000E+01 volume 0.13484E-02 ppm1 8.467 ppm2 2.804 CV 1 ASSI { 295} (( segid " " and resid 87 and name HN )) (( segid " " and resid 87 and name HA )) 3.000 1.100 1.100 peak 295 spectrum 1 weight 0.10000E+01 volume 0.17422E-02 ppm1 8.456 ppm2 5.060 CV 1 ASSI { 296} (( segid " " and resid 87 and name HN )) (( segid " " and resid 87 and name HB2 )) 2.700 0.900 0.900 peak 296 spectrum 1 weight 0.10000E+01 volume 0.18517E-02 ppm1 8.456 ppm2 3.086 CV 1 ASSI { 299} (( segid " " and resid 103 and name HN )) (( segid " " and resid 103 and name HA )) 2.600 0.800 0.800 peak 299 spectrum 1 weight 0.10000E+01 volume 0.27969E-02 ppm1 8.451 ppm2 3.968 CV 1 ASSI { 300} (( segid " " and resid 103 and name HN )) (( segid " " and resid 103 and name HB2 )) 2.100 0.600 0.600 peak 300 spectrum 1 weight 0.10000E+01 volume 0.10063E-01 ppm1 8.451 ppm2 1.710 CV 1 ASSI { 302} (( segid " " and resid 118 and name HN )) (( segid " " and resid 118 and name HA )) 3.000 1.100 1.100 peak 302 spectrum 1 weight 0.10000E+01 volume 0.16167E-02 ppm1 8.443 ppm2 5.401 CV 1 ASSI { 303} (( segid " " and resid 118 and name HN )) (( segid " " and resid 118 and name HB2 )) 2.800 1.000 1.000 peak 303 spectrum 1 weight 0.10000E+01 volume 0.23336E-02 ppm1 8.442 ppm2 1.671 CV 1 ASSI { 304} (( segid " " and resid 10 and name HN )) (( segid " " and resid 10 and name HA )) 2.800 1.000 1.000 peak 304 spectrum 1 weight 0.10000E+01 volume 0.30585E-02 ppm1 8.395 ppm2 4.117 CV 1 ASSI { 305} (( segid " " and resid 135 and name HN )) (( segid " " and resid 135 and name HA )) 2.700 0.900 0.900 peak 305 spectrum 1 weight 0.10000E+01 volume 0.31253E-02 ppm1 8.389 ppm2 3.342 CV 1 ASSI { 307} (( segid " " and resid 135 and name HN )) (( segid " " and resid 135 and name HB )) 2.300 0.700 0.700 peak 307 spectrum 1 weight 0.10000E+01 volume 0.60384E-02 ppm1 8.389 ppm2 1.474 CV 1 ASSI { 308} (( segid " " and resid 40 and name HN )) (( segid " " and resid 40 and name HA )) 2.800 1.000 1.000 peak 308 spectrum 1 weight 0.10000E+01 volume 0.28115E-02 ppm1 8.365 ppm2 4.231 CV 1 ASSI { 309} (( segid " " and resid 40 and name HN )) (( segid " " and resid 40 and name HG2 )) 3.100 1.200 1.200 peak 309 spectrum 1 weight 0.10000E+01 volume 0.39263E-02 ppm1 8.365 ppm2 2.342 CV 1 ASSI { 312} (( segid " " and resid 71 and name HN )) (( segid " " and resid 71 and name HA )) 3.200 1.300 1.300 peak 312 spectrum 1 weight 0.10000E+01 volume 0.10472E-02 ppm1 8.336 ppm2 4.476 CV 1 ASSI { 314} (( segid " " and resid 71 and name HN )) (( segid " " and resid 71 and name HB3 )) 3.700 1.700 1.700 peak 314 spectrum 1 weight 0.10000E+01 volume 0.14432E-02 ppm1 8.336 ppm2 1.673 CV 1 ASSI { 315} (( segid " " and resid 104 and name HN )) (( segid " " and resid 104 and name HA )) 2.600 0.800 0.800 peak 315 spectrum 1 weight 0.10000E+01 volume 0.43869E-02 ppm1 8.332 ppm2 4.192 CV 1 ASSI { 316} (( segid " " and resid 104 and name HN )) (( segid " " and resid 104 and name HB2 )) 2.500 0.800 0.800 peak 316 spectrum 1 weight 0.10000E+01 volume 0.72319E-02 ppm1 8.332 ppm2 3.930 CV 1 OR { 316} (( segid " " and resid 104 and name HN )) (( segid " " and resid 104 and name HB3 )) ASSI { 317} (( segid " " and resid 110 and name HN )) (( segid " " and resid 110 and name HA )) 2.400 0.700 0.700 peak 317 spectrum 1 weight 0.10000E+01 volume 0.50934E-02 ppm1 8.326 ppm2 3.930 CV 1 ASSI { 318} (( segid " " and resid 159 and name HN )) (( segid " " and resid 159 and name HA )) 2.600 0.900 0.900 peak 318 spectrum 1 weight 0.10000E+01 volume 0.46339E-02 ppm1 8.329 ppm2 4.611 CV 1 ASSI { 320} (( segid " " and resid 36 and name HN )) (( segid " " and resid 36 and name HA1 )) 3.100 1.200 1.200 peak 320 spectrum 1 weight 0.10000E+01 volume 0.23310E-02 ppm1 8.323 ppm2 4.195 CV 1 ASSI { 321} (( segid " " and resid 36 and name HN )) (( segid " " and resid 36 and name HA2 )) 2.600 0.800 0.800 peak 321 spectrum 1 weight 0.10000E+01 volume 0.37327E-02 ppm1 8.324 ppm2 3.657 CV 1 ASSI { 322} (( segid " " and resid 161 and name HN )) (( segid " " and resid 161 and name HA )) 2.700 0.900 0.900 peak 322 spectrum 1 weight 0.10000E+01 volume 0.46539E-02 ppm1 8.318 ppm2 4.214 CV 1 ASSI { 323} (( segid " " and resid 161 and name HN )) (( segid " " and resid 161 and name HG2 )) 3.200 1.300 1.300 peak 323 spectrum 1 weight 0.10000E+01 volume 0.30585E-02 ppm1 8.318 ppm2 2.223 CV 1 OR { 323} (( segid " " and resid 161 and name HN )) (( segid " " and resid 161 and name HG3 )) ASSI { 325} (( segid " " and resid 161 and name HN )) (( segid " " and resid 161 and name HB3 )) 2.900 1.100 1.100 peak 325 spectrum 1 weight 0.10000E+01 volume 0.66497E-02 ppm1 8.318 ppm2 1.892 CV 1 ASSI { 326} (( segid " " and resid 69 and name HN )) (( segid " " and resid 69 and name HA )) 2.800 1.000 1.000 peak 326 spectrum 1 weight 0.10000E+01 volume 0.19972E-02 ppm1 8.308 ppm2 5.404 CV 1 ASSI { 327} (( segid " " and resid 69 and name HN )) (( segid " " and resid 69 and name HB2 )) 2.800 1.000 1.000 peak 327 spectrum 1 weight 0.10000E+01 volume 0.19972E-02 ppm1 8.309 ppm2 2.010 CV 1 ASSI { 329} (( segid " " and resid 117 and name HN )) (( segid " " and resid 117 and name HB2 )) 3.100 1.200 1.200 peak 329 spectrum 1 weight 0.10000E+01 volume 0.11189E-02 ppm1 8.307 ppm2 3.729 CV 1 ASSI { 330} (( segid " " and resid 117 and name HN )) (( segid " " and resid 117 and name HB3 )) 3.800 1.800 1.800 peak 330 spectrum 1 weight 0.10000E+01 volume 0.91861E-03 ppm1 8.307 ppm2 3.632 CV 1 ASSI { 332} (( segid " " and resid 157 and name HN )) (( segid " " and resid 157 and name HB3 )) 2.600 0.800 0.800 peak 332 spectrum 1 weight 0.10000E+01 volume 0.68541E-02 ppm1 8.287 ppm2 2.611 CV 1 OR { 332} (( segid " " and resid 157 and name HN )) (( segid " " and resid 157 and name HB2 )) ASSI { 333} (( segid " " and resid 48 and name HN )) (( segid " " and resid 48 and name HA )) 3.200 1.300 1.300 peak 333 spectrum 1 weight 0.10000E+01 volume 0.79249E-03 ppm1 8.271 ppm2 5.171 CV 1 ASSI { 335} (( segid " " and resid 72 and name HN )) (( segid " " and resid 72 and name HA )) 3.000 1.100 1.100 peak 335 spectrum 1 weight 0.10000E+01 volume 0.18597E-02 ppm1 8.251 ppm2 4.583 CV 1 ASSI { 336} (( segid " " and resid 50 and name HN )) (( segid " " and resid 50 and name HA )) 2.600 0.800 0.800 peak 336 spectrum 1 weight 0.10000E+01 volume 0.36166E-02 ppm1 8.261 ppm2 4.267 CV 1 ASSI { 337} (( segid " " and resid 132 and name HN )) (( segid " " and resid 132 and name HA )) 2.700 0.900 0.900 peak 337 spectrum 1 weight 0.10000E+01 volume 0.28903E-02 ppm1 8.217 ppm2 2.742 CV 1 ASSI { 339} (( segid " " and resid 119 and name HN )) (( segid " " and resid 119 and name HB2 )) 3.100 1.200 1.200 peak 339 spectrum 1 weight 0.10000E+01 volume 0.10623E-02 ppm1 8.199 ppm2 2.816 CV 1 ASSI { 341} (( segid " " and resid 92 and name HN )) (( segid " " and resid 92 and name HA )) 3.000 1.100 1.100 peak 341 spectrum 1 weight 0.10000E+01 volume 0.13684E-02 ppm1 8.199 ppm2 5.672 CV 1 ASSI { 342} (( segid " " and resid 92 and name HN )) (( segid " " and resid 92 and name HB2 )) 3.100 1.200 1.200 peak 342 spectrum 1 weight 0.10000E+01 volume 0.15673E-02 ppm1 8.199 ppm2 3.114 CV 1 ASSI { 343} (( segid " " and resid 92 and name HN )) (( segid " " and resid 92 and name HB3 )) 2.700 0.900 0.900 peak 343 spectrum 1 weight 0.10000E+01 volume 0.18997E-02 ppm1 8.199 ppm2 3.024 CV 1 ASSI { 344} (( segid " " and resid 133 and name HN )) (( segid " " and resid 133 and name HA )) 2.500 0.800 0.800 peak 344 spectrum 1 weight 0.10000E+01 volume 0.41212E-02 ppm1 8.195 ppm2 3.982 CV 1 ASSI { 346} (( segid " " and resid 151 and name HN )) (( segid " " and resid 151 and name HA )) 2.800 1.000 1.000 peak 346 spectrum 1 weight 0.10000E+01 volume 0.41893E-02 ppm1 8.195 ppm2 4.795 CV 1 ASSI { 347} (( segid " " and resid 151 and name HN )) (( segid " " and resid 151 and name HB2 )) 2.500 0.800 0.800 peak 347 spectrum 1 weight 0.10000E+01 volume 0.37808E-02 ppm1 8.195 ppm2 2.891 CV 1 ASSI { 348} (( segid " " and resid 151 and name HN )) (( segid " " and resid 151 and name HB3 )) 3.100 1.200 1.200 peak 348 spectrum 1 weight 0.10000E+01 volume 0.58620E-02 ppm1 8.195 ppm2 2.547 CV 1 ASSI { 349} (( segid " " and resid 162 and name HN )) (( segid " " and resid 162 and name HA2 )) 2.500 0.800 0.800 peak 349 spectrum 1 weight 0.10000E+01 volume 0.84705E-02 ppm1 8.173 ppm2 3.851 CV 1 OR { 349} (( segid " " and resid 162 and name HN )) (( segid " " and resid 162 and name HA1 )) ASSI { 350} (( segid " " and resid 125 and name HN )) (( segid " " and resid 125 and name HA )) 2.400 0.700 0.700 peak 350 spectrum 1 weight 0.10000E+01 volume 0.38102E-02 ppm1 8.175 ppm2 3.820 CV 1 ASSI { 351} (( segid " " and resid 86 and name HN )) (( segid " " and resid 86 and name HA )) 2.900 1.000 1.000 peak 351 spectrum 1 weight 0.10000E+01 volume 0.21120E-02 ppm1 8.175 ppm2 4.330 CV 1 ASSI { 352} (( segid " " and resid 86 and name HN )) (( segid " " and resid 86 and name HB3 )) 2.900 1.000 1.000 peak 352 spectrum 1 weight 0.10000E+01 volume 0.28663E-02 ppm1 8.175 ppm2 1.759 CV 1 ASSI { 353} (( segid " " and resid 51 and name HN )) (( segid " " and resid 51 and name HA )) 2.400 0.700 0.700 peak 353 spectrum 1 weight 0.10000E+01 volume 0.33442E-02 ppm1 8.171 ppm2 4.880 CV 1 ASSI { 354} (( segid " " and resid 93 and name HN )) (( segid " " and resid 93 and name HA )) 3.100 1.200 1.200 peak 354 spectrum 1 weight 0.10000E+01 volume 0.13524E-02 ppm1 8.179 ppm2 5.273 CV 1 ASSI { 355} (( segid " " and resid 93 and name HN )) (( segid " " and resid 93 and name HB2 )) 3.100 1.200 1.200 peak 355 spectrum 1 weight 0.10000E+01 volume 0.20893E-02 ppm1 8.178 ppm2 2.001 CV 1 ASSI { 356} (( segid " " and resid 11 and name HN )) (( segid " " and resid 11 and name HA )) 2.700 0.900 0.900 peak 356 spectrum 1 weight 0.10000E+01 volume 0.25366E-02 ppm1 8.164 ppm2 3.998 CV 1 ASSI { 357} (( segid " " and resid 11 and name HN )) (( segid " " and resid 11 and name HB2 )) 2.200 0.600 0.600 peak 357 spectrum 1 weight 0.10000E+01 volume 0.48808E-02 ppm1 8.164 ppm2 1.883 CV 1 ASSI { 358} (( segid " " and resid 22 and name HN )) (( segid " " and resid 22 and name HA )) 2.800 1.000 1.000 peak 358 spectrum 1 weight 0.10000E+01 volume 0.21454E-02 ppm1 8.156 ppm2 4.627 CV 1 ASSI { 359} (( segid " " and resid 22 and name HN )) (( segid " " and resid 22 and name HB2 )) 2.900 1.000 1.000 peak 359 spectrum 1 weight 0.10000E+01 volume 0.35725E-02 ppm1 8.157 ppm2 1.357 CV 1 ASSI { 360} (( segid " " and resid 28 and name HN )) (( segid " " and resid 28 and name HA )) 3.000 1.100 1.100 peak 360 spectrum 1 weight 0.10000E+01 volume 0.18637E-02 ppm1 8.155 ppm2 4.659 CV 1 ASSI { 361} (( segid " " and resid 28 and name HN )) (( segid " " and resid 28 and name HB2 )) 3.000 1.100 1.100 peak 361 spectrum 1 weight 0.10000E+01 volume 0.18730E-02 ppm1 8.155 ppm2 1.724 CV 1 ASSI { 362} (( segid " " and resid 28 and name HN )) (( segid " " and resid 28 and name HB3 )) 2.800 1.000 1.000 peak 362 spectrum 1 weight 0.10000E+01 volume 0.30625E-02 ppm1 8.156 ppm2 1.582 CV 1 ASSI { 363} (( segid " " and resid 28 and name HN )) (( segid " " and resid 28 and name HG3 )) 3.700 1.700 1.700 peak 363 spectrum 1 weight 0.10000E+01 volume 0.16087E-02 ppm1 8.156 ppm2 1.375 CV 1 OR { 363} (( segid " " and resid 28 and name HN )) (( segid " " and resid 28 and name HG2 )) ASSI { 364} (( segid " " and resid 120 and name HN )) (( segid " " and resid 120 and name HA )) 3.100 1.200 1.200 peak 364 spectrum 1 weight 0.10000E+01 volume 0.13214E-02 ppm1 10.171 ppm2 4.258 CV 1 ASSI { 365} (( segid " " and resid 55 and name HN )) (( segid " " and resid 55 and name HA )) 3.200 1.300 1.300 peak 365 spectrum 1 weight 0.10000E+01 volume 0.10880E-02 ppm1 10.124 ppm2 4.330 CV 1 ASSI { 366} (( segid " " and resid 81 and name HN )) (( segid " " and resid 81 and name HA )) 2.500 0.800 0.800 peak 366 spectrum 1 weight 0.10000E+01 volume 0.43241E-02 ppm1 10.035 ppm2 4.014 CV 1 ASSI { 367} (( segid " " and resid 141 and name HN )) (( segid " " and resid 141 and name HA )) 2.800 1.000 1.000 peak 367 spectrum 1 weight 0.10000E+01 volume 0.31159E-02 ppm1 9.998 ppm2 4.296 CV 1 ASSI { 368} (( segid " " and resid 146 and name HN )) (( segid " " and resid 146 and name HA )) 2.600 0.800 0.800 peak 368 spectrum 1 weight 0.10000E+01 volume 0.29170E-02 ppm1 9.922 ppm2 4.611 CV 1 ASSI { 370} (( segid " " and resid 2 and name HN )) (( segid " " and resid 2 and name HA )) 2.700 0.900 0.900 peak 370 spectrum 1 weight 0.10000E+01 volume 0.32521E-02 ppm1 9.303 ppm2 4.553 CV 1 ASSI { 371} (( segid " " and resid 122 and name HN )) (( segid " " and resid 122 and name HA )) 2.200 0.600 0.600 peak 371 spectrum 1 weight 0.10000E+01 volume 0.88002E-02 ppm1 9.255 ppm2 4.238 CV 1 ASSI { 372} (( segid " " and resid 122 and name HN )) (( segid " " and resid 122 and name HB2 )) 3.200 1.300 1.300 peak 372 spectrum 1 weight 0.10000E+01 volume 0.24845E-02 ppm1 9.256 ppm2 3.064 CV 1 OR { 372} (( segid " " and resid 122 and name HN )) (( segid " " and resid 122 and name HB3 )) ASSI { 373} (( segid " " and resid 45 and name HN )) (( segid " " and resid 45 and name HA )) 3.300 1.400 1.400 peak 373 spectrum 1 weight 0.10000E+01 volume 0.90287E-03 ppm1 9.237 ppm2 5.124 CV 1 ASSI { 376} (( segid " " and resid 116 and name HN )) (( segid " " and resid 116 and name HB3 )) 2.800 0.900 0.900 peak 376 spectrum 1 weight 0.10000E+01 volume 0.33002E-02 ppm1 9.005 ppm2 1.979 CV 1 OR { 376} (( segid " " and resid 116 and name HN )) (( segid " " and resid 116 and name HB2 )) ASSI { 379} (( segid " " and resid 67 and name HN )) (( segid " " and resid 67 and name HB3 )) 2.700 0.900 0.900 peak 379 spectrum 1 weight 0.10000E+01 volume 0.23883E-02 ppm1 9.161 ppm2 1.982 CV 1 OR { 379} (( segid " " and resid 67 and name HN )) (( segid " " and resid 67 and name HB2 )) ASSI { 381} (( segid " " and resid 77 and name HN )) (( segid " " and resid 77 and name HB2 )) 3.700 1.700 1.700 peak 381 spectrum 1 weight 0.10000E+01 volume 0.14245E-02 ppm1 9.146 ppm2 4.213 CV 1 ASSI { 383} (( segid " " and resid 49 and name HN )) (( segid " " and resid 49 and name HB )) 4.000 2.000 2.000 peak 383 spectrum 1 weight 0.10000E+01 volume 0.67273E-03 ppm1 9.084 ppm2 4.086 CV 1 ASSI { 384} (( segid " " and resid 154 and name HN )) (( segid " " and resid 154 and name HB3 )) 2.300 0.600 0.600 peak 384 spectrum 1 weight 0.10000E+01 volume 0.79900E-02 ppm1 9.024 ppm2 1.815 CV 1 OR { 384} (( segid " " and resid 154 and name HN )) (( segid " " and resid 154 and name HB2 )) ASSI { 386} (( segid " " and resid 80 and name HN )) (( segid " " and resid 80 and name HB2 )) 2.300 0.700 0.700 peak 386 spectrum 1 weight 0.10000E+01 volume 0.35191E-02 ppm1 9.026 ppm2 1.755 CV 1 ASSI { 387} (( segid " " and resid 145 and name HN )) (( segid " " and resid 145 and name HB2 )) 2.800 1.000 1.000 peak 387 spectrum 1 weight 0.10000E+01 volume 0.17155E-02 ppm1 8.995 ppm2 1.485 CV 1 ASSI { 388} (( segid " " and resid 76 and name HN )) (( segid " " and resid 76 and name HA )) 3.000 1.100 1.100 peak 388 spectrum 1 weight 0.10000E+01 volume 0.12579E-02 ppm1 8.912 ppm2 3.690 CV 1 ASSI { 390} (( segid " " and resid 10 and name HN )) (( segid " " and resid 10 and name HB3 )) 3.500 1.600 1.600 peak 390 spectrum 1 weight 0.10000E+01 volume 0.30385E-02 ppm1 8.395 ppm2 2.009 CV 1 ASSI { 391} (( segid " " and resid 110 and name HN )) (( segid " " and resid 110 and name HB3 )) 2.200 0.600 0.600 peak 391 spectrum 1 weight 0.10000E+01 volume 0.48595E-02 ppm1 8.327 ppm2 1.937 CV 1 ASSI { 392} (( segid " " and resid 110 and name HN )) (( segid " " and resid 110 and name HB2 )) 3.200 1.300 1.300 peak 392 spectrum 1 weight 0.10000E+01 volume 0.48194E-02 ppm1 8.327 ppm2 1.992 CV 1 ASSI { 393} (( segid " " and resid 48 and name HN )) (( segid " " and resid 48 and name HB2 )) 3.000 1.100 1.100 peak 393 spectrum 1 weight 0.10000E+01 volume 0.10521E-02 ppm1 8.271 ppm2 3.769 CV 1 ASSI { 394} (( segid " " and resid 133 and name HN )) (( segid " " and resid 133 and name HB2 )) 2.300 0.600 0.600 peak 394 spectrum 1 weight 0.10000E+01 volume 0.63776E-02 ppm1 8.195 ppm2 2.080 CV 1 ASSI { 396} (( segid " " and resid 51 and name HN )) (( segid " " and resid 51 and name HB2 )) 3.700 1.700 1.700 peak 396 spectrum 1 weight 0.10000E+01 volume 0.60664E-03 ppm1 8.171 ppm2 3.573 CV 1 ASSI { 398} (( segid " " and resid 47 and name HN )) (( segid " " and resid 47 and name HA )) 3.100 1.200 1.200 peak 398 spectrum 1 weight 0.10000E+01 volume 0.12338E-02 ppm1 7.941 ppm2 4.982 CV 1 ASSI { 399} (( segid " " and resid 47 and name HN )) (( segid " " and resid 47 and name HB2 )) 3.300 1.400 1.400 peak 399 spectrum 1 weight 0.10000E+01 volume 0.16621E-02 ppm1 7.942 ppm2 1.811 CV 1 ASSI { 400} (( segid " " and resid 142 and name HN )) (( segid " " and resid 142 and name HA )) 2.600 0.900 0.900 peak 400 spectrum 1 weight 0.10000E+01 volume 0.25633E-02 ppm1 7.533 ppm2 3.846 CV 1 ASSI { 402} (( segid " " and resid 142 and name HN )) ( segid " " and resid 142 and name HG2%) 2.300 0.600 0.600 peak 402 spectrum 1 weight 0.10000E+01 volume 0.76698E-02 ppm1 7.533 ppm2 0.748 CV 1 OR { 402} (( segid " " and resid 142 and name HN )) ( segid " " and resid 142 and name HG1%) ASSI { 403} (( segid " " and resid 42 and name HN )) (( segid " " and resid 42 and name HA )) 2.600 0.900 0.900 peak 403 spectrum 1 weight 0.10000E+01 volume 0.44416E-02 ppm1 7.718 ppm2 4.211 CV 1 ASSI { 404} (( segid " " and resid 27 and name HN )) (( segid " " and resid 27 and name HA )) 3.600 1.700 1.700 peak 404 spectrum 1 weight 0.10000E+01 volume 0.63761E-03 ppm1 7.676 ppm2 5.055 CV 1 ASSI { 405} (( segid " " and resid 56 and name HN )) (( segid " " and resid 56 and name HA )) 3.200 1.300 1.300 peak 405 spectrum 1 weight 0.10000E+01 volume 0.12390E-02 ppm1 7.688 ppm2 4.886 CV 1 ASSI { 406} (( segid " " and resid 56 and name HN )) (( segid " " and resid 56 and name HB2 )) 3.100 1.200 1.200 peak 406 spectrum 1 weight 0.10000E+01 volume 0.19344E-02 ppm1 7.688 ppm2 4.053 CV 1 ASSI { 407} (( segid " " and resid 56 and name HN )) (( segid " " and resid 56 and name HB3 )) 3.700 1.800 1.800 peak 407 spectrum 1 weight 0.10000E+01 volume 0.11824E-02 ppm1 7.689 ppm2 3.408 CV 1 ASSI { 408} (( segid " " and resid 109 and name HN )) (( segid " " and resid 109 and name HA )) 2.600 0.900 0.900 peak 408 spectrum 1 weight 0.10000E+01 volume 0.30332E-02 ppm1 8.102 ppm2 3.972 CV 1 ASSI { 409} (( segid " " and resid 109 and name HN )) (( segid " " and resid 109 and name HB2 )) 2.400 0.700 0.700 peak 409 spectrum 1 weight 0.10000E+01 volume 0.36847E-02 ppm1 8.102 ppm2 2.152 CV 1 ASSI { 416} (( segid " " and resid 9 and name HN )) (( segid " " and resid 9 and name HA )) 2.700 0.900 0.900 peak 416 spectrum 1 weight 0.10000E+01 volume 0.28449E-02 ppm1 8.077 ppm2 4.099 CV 1 ASSI { 417} (( segid " " and resid 9 and name HN )) (( segid " " and resid 9 and name HB2 )) 2.500 0.800 0.800 peak 417 spectrum 1 weight 0.10000E+01 volume 0.38102E-02 ppm1 8.077 ppm2 1.936 CV 1 ASSI { 419} (( segid " " and resid 9 and name HN )) ( segid " " and resid 9 and name HD1%) 4.500 2.500 1.500 peak 419 spectrum 1 weight 0.10000E+01 volume 0.14659E-02 ppm1 8.077 ppm2 0.965 CV 1 OR { 419} (( segid " " and resid 9 and name HN )) ( segid " " and resid 9 and name HD2%) ASSI { 421} (( segid " " and resid 59 and name HN )) (( segid " " and resid 59 and name HB2 )) 3.000 1.100 1.100 peak 421 spectrum 1 weight 0.10000E+01 volume 0.19291E-02 ppm1 8.045 ppm2 2.950 CV 1 ASSI { 422} (( segid " " and resid 59 and name HN )) (( segid " " and resid 59 and name HB3 )) 3.600 1.600 1.600 peak 422 spectrum 1 weight 0.10000E+01 volume 0.17889E-02 ppm1 8.045 ppm2 2.683 CV 1 ASSI { 423} (( segid " " and resid 148 and name HN )) (( segid " " and resid 148 and name HA )) 2.900 1.000 1.000 peak 423 spectrum 1 weight 0.10000E+01 volume 0.21120E-02 ppm1 8.025 ppm2 5.415 CV 1 ASSI { 424} (( segid " " and resid 148 and name HN )) (( segid " " and resid 148 and name HB2 )) 2.600 0.900 0.900 peak 424 spectrum 1 weight 0.10000E+01 volume 0.42841E-02 ppm1 8.024 ppm2 2.922 CV 1 OR { 424} (( segid " " and resid 148 and name HN )) (( segid " " and resid 148 and name HB3 )) ASSI { 425} (( segid " " and resid 163 and name HN )) (( segid " " and resid 163 and name HA )) 2.600 0.900 0.900 peak 425 spectrum 1 weight 0.10000E+01 volume 0.44750E-02 ppm1 7.983 ppm2 4.552 CV 1 ASSI { 426} (( segid " " and resid 163 and name HN )) (( segid " " and resid 163 and name HB2 )) 2.900 1.100 1.100 peak 426 spectrum 1 weight 0.10000E+01 volume 0.32228E-02 ppm1 7.983 ppm2 3.002 CV 1 ASSI { 427} (( segid " " and resid 163 and name HN )) (( segid " " and resid 163 and name HB3 )) 3.100 1.200 1.200 peak 427 spectrum 1 weight 0.10000E+01 volume 0.45991E-02 ppm1 7.983 ppm2 2.915 CV 1 ASSI { 428} (( segid " " and resid 158 and name HN )) (( segid " " and resid 158 and name HA )) 2.700 0.900 0.900 peak 428 spectrum 1 weight 0.10000E+01 volume 0.39757E-02 ppm1 7.950 ppm2 4.283 CV 1 ASSI { 429} (( segid " " and resid 158 and name HN )) (( segid " " and resid 158 and name HB2 )) 3.100 1.200 1.200 peak 429 spectrum 1 weight 0.10000E+01 volume 0.23951E-02 ppm1 7.950 ppm2 3.783 CV 1 ASSI { 431} (( segid " " and resid 62 and name HN )) (( segid " " and resid 62 and name HA )) 2.600 0.900 0.900 peak 431 spectrum 1 weight 0.10000E+01 volume 0.31747E-02 ppm1 7.919 ppm2 4.227 CV 1 ASSI { 432} (( segid " " and resid 139 and name HN )) (( segid " " and resid 139 and name HA )) 2.600 0.900 0.900 peak 432 spectrum 1 weight 0.10000E+01 volume 0.26941E-02 ppm1 7.916 ppm2 4.884 CV 1 ASSI { 434} (( segid " " and resid 99 and name HN )) (( segid " " and resid 99 and name HA )) 2.800 1.000 1.000 peak 434 spectrum 1 weight 0.10000E+01 volume 0.22722E-02 ppm1 7.913 ppm2 4.687 CV 1 ASSI { 435} (( segid " " and resid 99 and name HN )) (( segid " " and resid 99 and name HB3 )) 2.900 1.000 1.000 peak 435 spectrum 1 weight 0.10000E+01 volume 0.31119E-02 ppm1 7.912 ppm2 1.378 CV 1 ASSI { 437} (( segid " " and resid 132 and name HE )) (( segid " " and resid 132 and name HD2 )) 3.000 1.100 1.100 peak 437 spectrum 1 weight 0.10000E+01 volume 0.17716E-02 ppm1 7.894 ppm2 3.575 CV 1 ASSI { 438} (( segid " " and resid 132 and name HE )) (( segid " " and resid 132 and name HD3 )) 2.900 1.000 1.000 peak 438 spectrum 1 weight 0.10000E+01 volume 0.22175E-02 ppm1 7.894 ppm2 3.176 CV 1 ASSI { 439} (( segid " " and resid 18 and name HN )) (( segid " " and resid 18 and name HA )) 2.800 1.000 1.000 peak 439 spectrum 1 weight 0.10000E+01 volume 0.36740E-02 ppm1 7.863 ppm2 4.723 CV 1 ASSI { 440} (( segid " " and resid 18 and name HN )) (( segid " " and resid 18 and name HB3 )) 3.100 1.200 1.200 peak 440 spectrum 1 weight 0.10000E+01 volume 0.45511E-02 ppm1 7.863 ppm2 2.766 CV 1 ASSI { 441} (( segid " " and resid 18 and name HN )) (( segid " " and resid 18 and name HB2 )) 2.600 0.800 0.800 peak 441 spectrum 1 weight 0.10000E+01 volume 0.32134E-02 ppm1 7.863 ppm2 2.844 CV 1 ASSI { 442} (( segid " " and resid 160 and name HN )) (( segid " " and resid 160 and name HA )) 2.700 0.900 0.900 peak 442 spectrum 1 weight 0.10000E+01 volume 0.42080E-02 ppm1 7.832 ppm2 3.998 CV 1 ASSI { 443} (( segid " " and resid 160 and name HN )) (( segid " " and resid 160 and name HB )) 2.700 0.900 0.900 peak 443 spectrum 1 weight 0.10000E+01 volume 0.59236E-02 ppm1 7.833 ppm2 2.070 CV 1 ASSI { 444} (( segid " " and resid 160 and name HN )) ( segid " " and resid 160 and name HG2%) 2.600 0.800 0.800 peak 444 spectrum 1 weight 0.10000E+01 volume 0.96511E-02 ppm1 7.832 ppm2 0.878 CV 1 OR { 444} (( segid " " and resid 160 and name HN )) ( segid " " and resid 160 and name HG1%) ASSI { 445} (( segid " " and resid 105 and name HN )) (( segid " " and resid 105 and name HB )) 2.200 0.600 0.600 peak 445 spectrum 1 weight 0.10000E+01 volume 0.68631E-02 ppm1 7.816 ppm2 4.246 CV 1 ASSI { 446} (( segid " " and resid 105 and name HN )) (( segid " " and resid 105 and name HA )) 2.600 0.900 0.900 peak 446 spectrum 1 weight 0.10000E+01 volume 0.44683E-02 ppm1 7.816 ppm2 4.017 CV 1 ASSI { 447} (( segid " " and resid 105 and name HN )) ( segid " " and resid 105 and name HG2%) 3.800 1.800 1.800 peak 447 spectrum 1 weight 0.10000E+01 volume 0.24604E-02 ppm1 7.816 ppm2 1.366 CV 1 ASSI { 448} (( segid " " and resid 17 and name HN )) (( segid " " and resid 17 and name HA )) 2.700 0.900 0.900 peak 448 spectrum 1 weight 0.10000E+01 volume 0.34070E-02 ppm1 7.813 ppm2 4.102 CV 1 ASSI { 449} (( segid " " and resid 17 and name HN )) (( segid " " and resid 17 and name HB2 )) 2.600 0.900 0.900 peak 449 spectrum 1 weight 0.10000E+01 volume 0.44897E-02 ppm1 7.813 ppm2 3.990 CV 1 OR { 449} (( segid " " and resid 17 and name HN )) (( segid " " and resid 17 and name HB3 )) ASSI { 450} (( segid " " and resid 155 and name HN )) (( segid " " and resid 155 and name HA )) 2.700 0.900 0.900 peak 450 spectrum 1 weight 0.10000E+01 volume 0.29691E-02 ppm1 7.760 ppm2 3.907 CV 1 ASSI { 452} (( segid " " and resid 14 and name HN )) (( segid " " and resid 14 and name HA )) 2.700 0.900 0.900 peak 452 spectrum 1 weight 0.10000E+01 volume 0.29718E-02 ppm1 7.757 ppm2 4.567 CV 1 ASSI { 453} (( segid " " and resid 14 and name HN )) (( segid " " and resid 14 and name HB2 )) 3.000 1.100 1.100 peak 453 spectrum 1 weight 0.10000E+01 volume 0.30625E-02 ppm1 7.757 ppm2 1.951 CV 1 ASSI { 454} (( segid " " and resid 14 and name HN )) (( segid " " and resid 14 and name HB3 )) 2.600 0.800 0.800 peak 454 spectrum 1 weight 0.10000E+01 volume 0.50317E-02 ppm1 7.757 ppm2 1.845 CV 1 ASSI { 455} (( segid " " and resid 14 and name HN )) (( segid " " and resid 14 and name HG2 )) 2.500 0.800 0.800 peak 455 spectrum 1 weight 0.10000E+01 volume 0.46405E-02 ppm1 7.757 ppm2 1.736 CV 1 OR { 455} (( segid " " and resid 14 and name HN )) (( segid " " and resid 14 and name HG3 )) ASSI { 456} (( segid " " and resid 21 and name HN )) (( segid " " and resid 21 and name HA )) 2.700 0.900 0.900 peak 456 spectrum 1 weight 0.10000E+01 volume 0.26220E-02 ppm1 7.754 ppm2 5.469 CV 1 ASSI { 457} (( segid " " and resid 21 and name HN )) (( segid " " and resid 21 and name HG2 )) 3.900 1.900 1.900 peak 457 spectrum 1 weight 0.10000E+01 volume 0.14925E-02 ppm1 7.754 ppm2 2.334 CV 1 ASSI { 458} (( segid " " and resid 21 and name HN )) (( segid " " and resid 21 and name HG3 )) 2.900 1.100 1.100 peak 458 spectrum 1 weight 0.10000E+01 volume 0.16848E-02 ppm1 7.754 ppm2 2.272 CV 1 ASSI { 460} (( segid " " and resid 21 and name HN )) (( segid " " and resid 21 and name HB3 )) 3.200 1.300 1.300 peak 460 spectrum 1 weight 0.10000E+01 volume 0.36847E-02 ppm1 7.754 ppm2 2.078 CV 1 ASSI { 461} (( segid " " and resid 46 and name HN )) (( segid " " and resid 46 and name HA )) 2.900 1.100 1.100 peak 461 spectrum 1 weight 0.10000E+01 volume 0.15847E-02 ppm1 7.738 ppm2 5.811 CV 1 ASSI { 462} (( segid " " and resid 46 and name HN )) (( segid " " and resid 46 and name HB2 )) 3.200 1.300 1.300 peak 462 spectrum 1 weight 0.10000E+01 volume 0.18343E-02 ppm1 7.737 ppm2 3.265 CV 1 ASSI { 463} (( segid " " and resid 46 and name HN )) (( segid " " and resid 46 and name HB3 )) 2.700 0.900 0.900 peak 463 spectrum 1 weight 0.10000E+01 volume 0.21414E-02 ppm1 7.737 ppm2 2.886 CV 1 ASSI { 464} (( segid " " and resid 42 and name HN )) (( segid " " and resid 42 and name HB3 )) 3.100 1.200 1.200 peak 464 spectrum 1 weight 0.10000E+01 volume 0.36112E-02 ppm1 7.718 ppm2 2.013 CV 1 ASSI { 465} (( segid " " and resid 42 and name HN )) (( segid " " and resid 42 and name HB2 )) 2.700 0.900 0.900 peak 465 spectrum 1 weight 0.10000E+01 volume 0.31400E-02 ppm1 7.718 ppm2 2.157 CV 1 ASSI { 466} (( segid " " and resid 42 and name HN )) (( segid " " and resid 42 and name HG2 )) 2.800 1.000 1.000 peak 466 spectrum 1 weight 0.10000E+01 volume 0.34604E-02 ppm1 7.718 ppm2 2.315 CV 1 ASSI { 467} (( segid " " and resid 8 and name HN )) (( segid " " and resid 8 and name HA )) 2.500 0.800 0.800 peak 467 spectrum 1 weight 0.10000E+01 volume 0.39650E-02 ppm1 7.698 ppm2 4.213 CV 1 ASSI { 468} (( segid " " and resid 8 and name HN )) (( segid " " and resid 8 and name HB2 )) 2.200 0.600 0.600 peak 468 spectrum 1 weight 0.10000E+01 volume 0.88138E-02 ppm1 7.698 ppm2 3.220 CV 1 OR { 468} (( segid " " and resid 8 and name HN )) (( segid " " and resid 8 and name HB3 )) ASSI { 469} (( segid " " and resid 127 and name HN )) (( segid " " and resid 127 and name HA )) 2.700 0.900 0.900 peak 469 spectrum 1 weight 0.10000E+01 volume 0.39223E-02 ppm1 7.649 ppm2 4.695 CV 1 ASSI { 471} (( segid " " and resid 127 and name HN )) (( segid " " and resid 127 and name HB3 )) 3.100 1.200 1.200 peak 471 spectrum 1 weight 0.10000E+01 volume 0.45511E-02 ppm1 7.649 ppm2 2.751 CV 1 ASSI { 472} (( segid " " and resid 82 and name HN )) (( segid " " and resid 82 and name HA )) 2.500 0.800 0.800 peak 472 spectrum 1 weight 0.10000E+01 volume 0.57112E-02 ppm1 7.592 ppm2 3.957 CV 1 ASSI { 473} (( segid " " and resid 82 and name HN )) (( segid " " and resid 82 and name HB )) 2.200 0.600 0.600 peak 473 spectrum 1 weight 0.10000E+01 volume 0.84841E-02 ppm1 7.593 ppm2 2.153 CV 1 ASSI { 475} (( segid " " and resid 82 and name HN )) ( segid " " and resid 82 and name HG2%) 3.200 1.200 1.200 peak 475 spectrum 1 weight 0.10000E+01 volume 0.49422E-02 ppm1 7.593 ppm2 0.972 CV 1 ASSI { 476} (( segid " " and resid 137 and name HN )) (( segid " " and resid 137 and name HA )) 2.600 0.900 0.900 peak 476 spectrum 1 weight 0.10000E+01 volume 0.46058E-02 ppm1 7.586 ppm2 4.061 CV 1 ASSI { 478} (( segid " " and resid 137 and name HN )) (( segid " " and resid 137 and name HB3 )) 2.200 0.600 0.600 peak 478 spectrum 1 weight 0.10000E+01 volume 0.10092E-01 ppm1 7.586 ppm2 1.894 CV 1 OR { 478} (( segid " " and resid 137 and name HN )) (( segid " " and resid 137 and name HB2 )) ASSI { 480} (( segid " " and resid 137 and name HN )) (( segid " " and resid 137 and name HG2 )) 3.700 1.700 1.700 peak 480 spectrum 1 weight 0.10000E+01 volume 0.21961E-02 ppm1 7.586 ppm2 1.588 CV 1 ASSI { 482} (( segid " " and resid 41 and name HN )) (( segid " " and resid 41 and name HA )) 3.000 1.100 1.100 peak 482 spectrum 1 weight 0.10000E+01 volume 0.14004E-02 ppm1 7.550 ppm2 4.334 CV 1 ASSI { 484} (( segid " " and resid 41 and name HN )) (( segid " " and resid 41 and name HB3 )) 3.500 1.500 1.500 peak 484 spectrum 1 weight 0.10000E+01 volume 0.29557E-02 ppm1 7.550 ppm2 2.966 CV 1 ASSI { 485} (( segid " " and resid 138 and name HN )) (( segid " " and resid 138 and name HA )) 2.600 0.800 0.800 peak 485 spectrum 1 weight 0.10000E+01 volume 0.51891E-02 ppm1 7.508 ppm2 4.078 CV 1 ASSI { 486} (( segid " " and resid 138 and name HN )) (( segid " " and resid 138 and name HB2 )) 2.400 0.700 0.700 peak 486 spectrum 1 weight 0.10000E+01 volume 0.52041E-02 ppm1 7.508 ppm2 1.786 CV 1 ASSI { 487} (( segid " " and resid 138 and name HN )) (( segid " " and resid 138 and name HB3 )) 2.200 0.600 0.600 peak 487 spectrum 1 weight 0.10000E+01 volume 0.84265E-02 ppm1 7.508 ppm2 1.681 CV 1 ASSI { 489} (( segid " " and resid 164 and name HN )) (( segid " " and resid 164 and name HB )) 3.100 1.200 1.200 peak 489 spectrum 1 weight 0.10000E+01 volume 0.23003E-02 ppm1 7.492 ppm2 2.028 CV 1 ASSI { 490} (( segid " " and resid 164 and name HN )) ( segid " " and resid 164 and name HG2%) 2.800 1.000 1.000 peak 490 spectrum 1 weight 0.10000E+01 volume 0.44897E-02 ppm1 7.492 ppm2 0.855 CV 1 OR { 490} (( segid " " and resid 164 and name HN )) ( segid " " and resid 164 and name HG1%) ASSI { 491} (( segid " " and resid 33 and name HN )) (( segid " " and resid 33 and name HA )) 3.300 1.400 1.400 peak 491 spectrum 1 weight 0.10000E+01 volume 0.10811E-02 ppm1 7.484 ppm2 5.106 CV 1 ASSI { 492} (( segid " " and resid 33 and name HN )) (( segid " " and resid 33 and name HB2 )) 3.000 1.200 1.200 peak 492 spectrum 1 weight 0.10000E+01 volume 0.13076E-02 ppm1 7.484 ppm2 1.792 CV 1 ASSI { 493} (( segid " " and resid 33 and name HN )) (( segid " " and resid 33 and name HB3 )) 3.400 1.500 1.500 peak 493 spectrum 1 weight 0.10000E+01 volume 0.21628E-02 ppm1 7.484 ppm2 1.722 CV 1 ASSI { 494} (( segid " " and resid 33 and name HN )) (( segid " " and resid 33 and name HG3 )) 3.400 1.400 1.400 peak 494 spectrum 1 weight 0.10000E+01 volume 0.17449E-02 ppm1 7.484 ppm2 1.327 CV 1 OR { 494} (( segid " " and resid 33 and name HN )) (( segid " " and resid 33 and name HG2 )) ASSI { 496} (( segid " " and resid 107 and name HN )) (( segid " " and resid 107 and name HG3 )) 3.900 1.900 1.900 peak 496 spectrum 1 weight 0.10000E+01 volume 0.21961E-02 ppm1 7.480 ppm2 2.298 CV 1 ASSI { 497} (( segid " " and resid 12 and name HN )) (( segid " " and resid 12 and name HA )) 2.400 0.700 0.700 peak 497 spectrum 1 weight 0.10000E+01 volume 0.83493E-02 ppm1 7.433 ppm2 3.959 CV 1 ASSI { 498} (( segid " " and resid 12 and name HN )) (( segid " " and resid 12 and name HB2 )) 2.600 0.800 0.800 peak 498 spectrum 1 weight 0.10000E+01 volume 0.57593E-02 ppm1 7.433 ppm2 1.857 CV 1 OR { 498} (( segid " " and resid 12 and name HN )) (( segid " " and resid 12 and name HB3 )) ASSI { 499} (( segid " " and resid 12 and name HN )) (( segid " " and resid 12 and name HG3 )) 3.000 1.100 1.100 peak 499 spectrum 1 weight 0.10000E+01 volume 0.18664E-02 ppm1 7.433 ppm2 1.648 CV 1 ASSI { 500} (( segid " " and resid 98 and name HN )) (( segid " " and resid 98 and name HA )) 2.900 1.000 1.000 peak 500 spectrum 1 weight 0.10000E+01 volume 0.28423E-02 ppm1 7.424 ppm2 5.389 CV 1 ASSI { 501} (( segid " " and resid 98 and name HN )) (( segid " " and resid 98 and name HB2 )) 2.600 0.900 0.900 peak 501 spectrum 1 weight 0.10000E+01 volume 0.24337E-02 ppm1 7.423 ppm2 3.028 CV 1 ASSI { 502} (( segid " " and resid 98 and name HN )) (( segid " " and resid 98 and name HB3 )) 3.300 1.400 1.400 peak 502 spectrum 1 weight 0.10000E+01 volume 0.39850E-02 ppm1 7.424 ppm2 2.781 CV 1 ASSI { 503} (( segid " " and resid 5 and name HN )) (( segid " " and resid 5 and name HA )) 2.600 0.900 0.900 peak 503 spectrum 1 weight 0.10000E+01 volume 0.33830E-02 ppm1 7.422 ppm2 4.150 CV 1 ASSI { 504} (( segid " " and resid 5 and name HN )) (( segid " " and resid 5 and name HB2 )) 2.400 0.700 0.700 peak 504 spectrum 1 weight 0.10000E+01 volume 0.59903E-02 ppm1 7.422 ppm2 1.986 CV 1 OR { 504} (( segid " " and resid 5 and name HN )) (( segid " " and resid 5 and name HB3 )) ASSI { 506} (( segid " " and resid 5 and name HN )) (( segid " " and resid 5 and name HG2 )) 2.400 0.700 0.700 peak 506 spectrum 1 weight 0.10000E+01 volume 0.25712E-02 ppm1 7.422 ppm2 1.624 CV 1 ASSI { 507} (( segid " " and resid 5 and name HN )) (( segid " " and resid 5 and name HG3 )) 3.800 1.800 1.800 peak 507 spectrum 1 weight 0.10000E+01 volume 0.23790E-02 ppm1 7.422 ppm2 1.531 CV 1 ASSI { 508} (( segid " " and resid 128 and name HN )) (( segid " " and resid 128 and name HA )) 2.700 0.900 0.900 peak 508 spectrum 1 weight 0.10000E+01 volume 0.32521E-02 ppm1 7.411 ppm2 4.189 CV 1 ASSI { 509} (( segid " " and resid 128 and name HN )) (( segid " " and resid 128 and name HG )) 2.200 0.600 0.600 peak 509 spectrum 1 weight 0.10000E+01 volume 0.54641E-02 ppm1 7.411 ppm2 1.986 CV 1 ASSI { 510} (( segid " " and resid 128 and name HN )) (( segid " " and resid 128 and name HB2 )) 2.300 0.600 0.600 peak 510 spectrum 1 weight 0.10000E+01 volume 0.54712E-02 ppm1 7.411 ppm2 1.839 CV 1 ASSI { 511} (( segid " " and resid 128 and name HN )) (( segid " " and resid 128 and name HB3 )) 3.400 1.400 1.400 peak 511 spectrum 1 weight 0.10000E+01 volume 0.33830E-02 ppm1 7.411 ppm2 1.583 CV 1 ASSI { 513} (( segid " " and resid 84 and name HN )) (( segid " " and resid 84 and name HA )) 2.400 0.700 0.700 peak 513 spectrum 1 weight 0.10000E+01 volume 0.54712E-02 ppm1 7.386 ppm2 3.911 CV 1 ASSI { 515} (( segid " " and resid 102 and name HN )) (( segid " " and resid 102 and name HA )) 2.700 0.900 0.900 peak 515 spectrum 1 weight 0.10000E+01 volume 0.32574E-02 ppm1 7.361 ppm2 4.862 CV 1 ASSI { 516} (( segid " " and resid 102 and name HN )) (( segid " " and resid 102 and name HB2 )) 3.100 1.200 1.200 peak 516 spectrum 1 weight 0.10000E+01 volume 0.15940E-02 ppm1 7.361 ppm2 2.942 CV 1 ASSI { 518} (( segid " " and resid 83 and name HN )) (( segid " " and resid 83 and name HA )) 2.500 0.800 0.800 peak 518 spectrum 1 weight 0.10000E+01 volume 0.38729E-02 ppm1 7.303 ppm2 3.920 CV 1 ASSI { 519} (( segid " " and resid 83 and name HN )) (( segid " " and resid 83 and name HB2 )) 2.400 0.700 0.700 peak 519 spectrum 1 weight 0.10000E+01 volume 0.39263E-02 ppm1 7.303 ppm2 1.888 CV 1 ASSI { 520} (( segid " " and resid 60 and name HN )) (( segid " " and resid 60 and name HA )) 2.700 0.900 0.900 peak 520 spectrum 1 weight 0.10000E+01 volume 0.26500E-02 ppm1 7.286 ppm2 3.996 CV 1 ASSI { 521} (( segid " " and resid 60 and name HN )) (( segid " " and resid 60 and name HB3 )) 2.300 0.600 0.600 peak 521 spectrum 1 weight 0.10000E+01 volume 0.85537E-02 ppm1 7.286 ppm2 1.544 CV 1 OR { 521} (( segid " " and resid 60 and name HN )) (( segid " " and resid 60 and name HB2 )) ASSI { 522} (( segid " " and resid 131 and name HN )) (( segid " " and resid 131 and name HA )) 2.500 0.800 0.800 peak 522 spectrum 1 weight 0.10000E+01 volume 0.50037E-02 ppm1 7.249 ppm2 4.062 CV 1 ASSI { 523} (( segid " " and resid 19 and name HN )) (( segid " " and resid 19 and name HA )) 2.800 1.000 1.000 peak 523 spectrum 1 weight 0.10000E+01 volume 0.25673E-02 ppm1 7.238 ppm2 3.841 CV 1 ASSI { 524} (( segid " " and resid 19 and name HN )) (( segid " " and resid 19 and name HB )) 2.400 0.700 0.700 peak 524 spectrum 1 weight 0.10000E+01 volume 0.52998E-02 ppm1 7.238 ppm2 2.296 CV 1 ASSI { 525} (( segid " " and resid 19 and name HN )) ( segid " " and resid 19 and name HG1%) 3.400 1.500 1.500 peak 525 spectrum 1 weight 0.10000E+01 volume 0.50182E-02 ppm1 7.238 ppm2 0.995 CV 1 ASSI { 526} (( segid " " and resid 78 and name HN )) (( segid " " and resid 78 and name HA1 )) 2.500 0.800 0.800 peak 526 spectrum 1 weight 0.10000E+01 volume 0.39169E-02 ppm1 7.238 ppm2 4.216 CV 1 ASSI { 527} (( segid " " and resid 78 and name HN )) (( segid " " and resid 78 and name HA2 )) 2.900 1.100 1.100 peak 527 spectrum 1 weight 0.10000E+01 volume 0.34751E-02 ppm1 7.238 ppm2 4.022 CV 1 ASSI { 528} (( segid " " and resid 126 and name HN )) (( segid " " and resid 126 and name HA )) 2.900 1.100 1.100 peak 528 spectrum 1 weight 0.10000E+01 volume 0.20653E-02 ppm1 7.198 ppm2 2.419 CV 1 ASSI { 529} (( segid " " and resid 112 and name HN )) (( segid " " and resid 112 and name HA )) 2.700 0.900 0.900 peak 529 spectrum 1 weight 0.10000E+01 volume 0.24030E-02 ppm1 7.197 ppm2 4.607 CV 1 ASSI { 530} (( segid " " and resid 112 and name HN )) (( segid " " and resid 112 and name HB2 )) 2.200 0.600 0.600 peak 530 spectrum 1 weight 0.10000E+01 volume 0.45444E-02 ppm1 7.196 ppm2 2.029 CV 1 ASSI { 531} (( segid " " and resid 112 and name HN )) (( segid " " and resid 112 and name HB3 )) 3.500 1.500 1.500 peak 531 spectrum 1 weight 0.10000E+01 volume 0.30145E-02 ppm1 7.196 ppm2 1.760 CV 1 ASSI { 533} (( segid " " and resid 90 and name HN )) (( segid " " and resid 90 and name HA )) 2.700 0.900 0.900 peak 533 spectrum 1 weight 0.10000E+01 volume 0.25712E-02 ppm1 7.178 ppm2 3.981 CV 1 ASSI { 535} (( segid " " and resid 121 and name HN )) (( segid " " and resid 121 and name HA )) 2.700 0.900 0.900 peak 535 spectrum 1 weight 0.10000E+01 volume 0.29411E-02 ppm1 7.158 ppm2 4.226 CV 1 ASSI { 536} (( segid " " and resid 106 and name HN )) (( segid " " and resid 106 and name HA )) 2.700 0.900 0.900 peak 536 spectrum 1 weight 0.10000E+01 volume 0.23857E-02 ppm1 7.131 ppm2 4.318 CV 1 ASSI { 537} (( segid " " and resid 106 and name HN )) (( segid " " and resid 106 and name HB )) 3.400 1.400 1.400 peak 537 spectrum 1 weight 0.10000E+01 volume 0.21628E-02 ppm1 7.131 ppm2 2.153 CV 1 ASSI { 540} (( segid " " and resid 37 and name HN )) (( segid " " and resid 37 and name HA )) 2.700 0.900 0.900 peak 540 spectrum 1 weight 0.10000E+01 volume 0.20025E-02 ppm1 7.108 ppm2 4.263 CV 1 ASSI { 541} (( segid " " and resid 37 and name HN )) (( segid " " and resid 37 and name HB2 )) 2.400 0.700 0.700 peak 541 spectrum 1 weight 0.10000E+01 volume 0.24271E-02 ppm1 7.107 ppm2 1.233 CV 1 ASSI { 542} (( segid " " and resid 37 and name HN )) (( segid " " and resid 37 and name HB3 )) 3.200 1.300 1.300 peak 542 spectrum 1 weight 0.10000E+01 volume 0.27008E-02 ppm1 7.107 ppm2 1.006 CV 1 ASSI { 543} (( segid " " and resid 150 and name HE )) (( segid " " and resid 150 and name HD2 )) 2.700 0.900 0.900 peak 543 spectrum 1 weight 0.10000E+01 volume 0.32855E-02 ppm1 7.086 ppm2 2.727 CV 1 OR { 543} (( segid " " and resid 150 and name HE )) (( segid " " and resid 150 and name HD3 )) ASSI { 548} (( segid " " and resid 115 and name HN )) (( segid " " and resid 115 and name HA )) 2.700 0.900 0.900 peak 548 spectrum 1 weight 0.10000E+01 volume 0.15700E-02 ppm1 7.018 ppm2 4.133 CV 1 ASSI { 549} (( segid " " and resid 85 and name HN )) (( segid " " and resid 85 and name HA )) 2.700 0.900 0.900 peak 549 spectrum 1 weight 0.10000E+01 volume 0.44069E-02 ppm1 7.007 ppm2 4.187 CV 1 ASSI { 550} (( segid " " and resid 85 and name HN )) (( segid " " and resid 85 and name HG2 )) 2.900 1.000 1.000 peak 550 spectrum 1 weight 0.10000E+01 volume 0.19825E-02 ppm1 7.007 ppm2 2.323 CV 1 ASSI { 551} (( segid " " and resid 85 and name HN )) (( segid " " and resid 85 and name HG3 )) 3.500 1.600 1.600 peak 551 spectrum 1 weight 0.10000E+01 volume 0.21934E-02 ppm1 7.007 ppm2 2.169 CV 1 ASSI { 552} (( segid " " and resid 85 and name HN )) (( segid " " and resid 85 and name HB2 )) 2.200 0.600 0.600 peak 552 spectrum 1 weight 0.10000E+01 volume 0.10407E-01 ppm1 7.007 ppm2 2.072 CV 1 OR { 552} (( segid " " and resid 85 and name HN )) (( segid " " and resid 85 and name HB3 )) ASSI { 553} (( segid " " and resid 111 and name HN )) (( segid " " and resid 111 and name HA )) 2.600 0.800 0.800 peak 553 spectrum 1 weight 0.10000E+01 volume 0.41119E-02 ppm1 6.979 ppm2 4.178 CV 1 ASSI { 554} (( segid " " and resid 111 and name HN )) (( segid " " and resid 111 and name HB2 )) 2.300 0.600 0.600 peak 554 spectrum 1 weight 0.10000E+01 volume 0.38782E-02 ppm1 6.980 ppm2 2.072 CV 1 ASSI { 555} (( segid " " and resid 111 and name HN )) (( segid " " and resid 111 and name HB3 )) 3.000 1.100 1.100 peak 555 spectrum 1 weight 0.10000E+01 volume 0.59382E-02 ppm1 6.980 ppm2 1.613 CV 1 ASSI { 556} (( segid " " and resid 111 and name HN )) (( segid " " and resid 111 and name HG3 )) 2.300 0.700 0.700 peak 556 spectrum 1 weight 0.10000E+01 volume 0.27769E-02 ppm1 6.980 ppm2 1.430 CV 1 ASSI { 557} (( segid " " and resid 74 and name HN )) (( segid " " and resid 74 and name HA )) 2.800 1.000 1.000 peak 557 spectrum 1 weight 0.10000E+01 volume 0.29144E-02 ppm1 6.723 ppm2 5.136 CV 1 ASSI { 558} (( segid " " and resid 74 and name HN )) (( segid " " and resid 74 and name HB2 )) 2.700 0.900 0.900 peak 558 spectrum 1 weight 0.10000E+01 volume 0.29757E-02 ppm1 6.723 ppm2 3.192 CV 1 OR { 558} (( segid " " and resid 74 and name HN )) (( segid " " and resid 74 and name HB3 )) ASSI { 559} (( segid " " and resid 38 and name HN )) (( segid " " and resid 38 and name HA )) 2.600 0.900 0.900 peak 559 spectrum 1 weight 0.10000E+01 volume 0.22241E-02 ppm1 6.831 ppm2 4.845 CV 1 ASSI { 560} (( segid " " and resid 38 and name HN )) ( segid " " and resid 38 and name HG2%) 2.400 0.700 0.700 peak 560 spectrum 1 weight 0.10000E+01 volume 0.53880E-02 ppm1 6.831 ppm2 1.239 CV 1 ASSI { 561} (( segid " " and resid 100 and name HN )) (( segid " " and resid 100 and name HA )) 2.700 0.900 0.900 peak 561 spectrum 1 weight 0.10000E+01 volume 0.22108E-02 ppm1 6.619 ppm2 4.190 CV 1 ASSI { 562} (( segid " " and resid 100 and name HN )) (( segid " " and resid 100 and name HB )) 2.300 0.700 0.700 peak 562 spectrum 1 weight 0.10000E+01 volume 0.42841E-02 ppm1 6.619 ppm2 2.063 CV 1 ASSI { 564} (( segid " " and resid 136 and name HN )) (( segid " " and resid 136 and name HA )) 2.600 0.800 0.800 peak 564 spectrum 1 weight 0.10000E+01 volume 0.46672E-02 ppm1 8.146 ppm2 4.267 CV 1 ASSI { 565} (( segid " " and resid 123 and name HN )) (( segid " " and resid 123 and name HB3 )) 2.600 0.900 0.900 peak 565 spectrum 1 weight 0.10000E+01 volume 0.51625E-02 ppm1 8.137 ppm2 3.077 CV 1 ASSI { 566} (( segid " " and resid 136 and name HN )) (( segid " " and resid 136 and name HB2 )) 2.400 0.700 0.700 peak 566 spectrum 1 weight 0.10000E+01 volume 0.34216E-02 ppm1 8.146 ppm2 2.951 CV 1 ASSI { 567} (( segid " " and resid 136 and name HN )) (( segid " " and resid 136 and name HB3 )) 3.300 1.300 1.300 peak 567 spectrum 1 weight 0.10000E+01 volume 0.54641E-02 ppm1 8.146 ppm2 2.859 CV 1 ASSI { 568} (( segid " " and resid 123 and name HN )) (( segid " " and resid 123 and name HB2 )) 2.800 1.000 1.000 peak 568 spectrum 1 weight 0.10000E+01 volume 0.22068E-02 ppm1 8.136 ppm2 3.609 CV 1 ASSI { 571} (( segid " " and resid 22 and name HN )) ( segid " " and resid 22 and name HD1%) 3.700 1.700 1.700 peak 571 spectrum 1 weight 0.10000E+01 volume 0.32614E-02 ppm1 8.157 ppm2 0.720 CV 1 ASSI { 572} (( segid " " and resid 123 and name HN )) (( segid " " and resid 123 and name HA )) 2.700 0.900 0.900 peak 572 spectrum 1 weight 0.10000E+01 volume 0.30679E-02 ppm1 8.137 ppm2 4.724 CV 1 ASSI { 573} (( segid " " and resid 126 and name HN )) (( segid " " and resid 126 and name HB )) 3.900 1.900 1.900 peak 573 spectrum 1 weight 0.10000E+01 volume 0.11052E-02 ppm1 7.198 ppm2 3.728 CV 1 ASSI { 575} (( segid " " and resid 66 and name HN )) (( segid " " and resid 66 and name HA )) 3.000 1.100 1.100 peak 575 spectrum 1 weight 0.10000E+01 volume 0.13390E-02 ppm1 6.948 ppm2 4.150 CV 1 ASSI { 584} (( segid " " and resid 44 and name HN )) (( segid " " and resid 44 and name HA )) 2.900 1.100 1.100 peak 584 spectrum 1 weight 0.10000E+01 volume 0.18904E-02 ppm1 6.908 ppm2 4.107 CV 1 ASSI { 589} (( segid " " and resid 7 and name HN )) (( segid " " and resid 7 and name HB )) 2.400 0.800 0.800 peak 589 spectrum 1 weight 0.10000E+01 volume 0.38582E-02 ppm1 8.444 ppm2 1.902 CV 1 ASSI { 591} (( segid " " and resid 7 and name HN )) ( segid " " and resid 7 and name HD1%) 3.800 1.800 1.800 peak 591 spectrum 1 weight 0.10000E+01 volume 0.29477E-02 ppm1 8.444 ppm2 0.707 CV 1 ASSI { 592} (( segid " " and resid 9 and name HN )) (( segid " " and resid 9 and name HB3 )) 2.500 0.800 0.800 peak 592 spectrum 1 weight 0.10000E+01 volume 0.47300E-02 ppm1 8.077 ppm2 1.840 CV 1 OR { 592} (( segid " " and resid 9 and name HN )) (( segid " " and resid 9 and name HG )) ASSI { 593} (( segid " " and resid 10 and name HN )) (( segid " " and resid 10 and name HB2 )) 2.700 0.900 0.900 peak 593 spectrum 1 weight 0.10000E+01 volume 0.20292E-02 ppm1 8.395 ppm2 2.153 CV 1 ASSI { 594} (( segid " " and resid 10 and name HN )) (( segid " " and resid 10 and name HG3 )) 3.800 1.800 1.800 peak 594 spectrum 1 weight 0.10000E+01 volume 0.17008E-02 ppm1 8.395 ppm2 2.322 CV 1 ASSI { 595} (( segid " " and resid 10 and name HN )) (( segid " " and resid 10 and name HG2 )) 2.700 0.900 0.900 peak 595 spectrum 1 weight 0.10000E+01 volume 0.21587E-02 ppm1 8.395 ppm2 2.487 CV 1 ASSI { 596} (( segid " " and resid 11 and name HN )) (( segid " " and resid 11 and name HB3 )) 3.500 1.500 1.500 peak 596 spectrum 1 weight 0.10000E+01 volume 0.26193E-02 ppm1 8.164 ppm2 1.686 CV 1 ASSI { 597} (( segid " " and resid 11 and name HN )) (( segid " " and resid 11 and name HG )) 2.200 0.600 0.600 peak 597 spectrum 1 weight 0.10000E+01 volume 0.46886E-02 ppm1 8.164 ppm2 1.938 CV 1 ASSI { 599} (( segid " " and resid 11 and name HN )) ( segid " " and resid 11 and name HD2%) 3.800 1.800 1.800 peak 599 spectrum 1 weight 0.10000E+01 volume 0.13059E-02 ppm1 8.164 ppm2 0.802 CV 1 ASSI { 600} (( segid " " and resid 12 and name HN )) (( segid " " and resid 12 and name HG2 )) 2.800 0.900 0.900 peak 600 spectrum 1 weight 0.10000E+01 volume 0.23951E-02 ppm1 7.433 ppm2 1.776 CV 1 ASSI { 602} (( segid " " and resid 19 and name HN )) ( segid " " and resid 19 and name HG2%) 2.400 0.700 0.700 peak 602 spectrum 1 weight 0.10000E+01 volume 0.64843E-02 ppm1 7.238 ppm2 0.961 CV 1 ASSI { 603} (( segid " " and resid 20 and name HN )) (( segid " " and resid 20 and name HB2 )) 2.600 0.900 0.900 peak 603 spectrum 1 weight 0.10000E+01 volume 0.26393E-02 ppm1 8.622 ppm2 2.076 CV 1 ASSI { 606} (( segid " " and resid 22 and name HN )) (( segid " " and resid 22 and name HB3 )) 2.600 0.800 0.800 peak 606 spectrum 1 weight 0.10000E+01 volume 0.34604E-02 ppm1 8.157 ppm2 1.304 CV 1 ASSI { 610} (( segid " " and resid 24 and name HN )) ( segid " " and resid 24 and name HD2%) 3.600 1.600 1.600 peak 610 spectrum 1 weight 0.10000E+01 volume 0.11704E-02 ppm1 8.941 ppm2 0.707 CV 1 ASSI { 611} (( segid " " and resid 25 and name HN )) (( segid " " and resid 25 and name HA )) 3.000 1.100 1.100 peak 611 spectrum 1 weight 0.10000E+01 volume 0.18757E-02 ppm1 7.019 ppm2 4.506 CV 1 ASSI { 612} (( segid " " and resid 25 and name HN )) (( segid " " and resid 25 and name HB2 )) 3.600 1.600 1.600 peak 612 spectrum 1 weight 0.10000E+01 volume 0.91249E-03 ppm1 7.019 ppm2 2.531 CV 1 ASSI { 613} (( segid " " and resid 25 and name HN )) (( segid " " and resid 25 and name HB3 )) 3.700 1.700 1.700 peak 613 spectrum 1 weight 0.10000E+01 volume 0.12288E-02 ppm1 7.019 ppm2 2.426 CV 1 ASSI { 614} (( segid " " and resid 27 and name HN )) (( segid " " and resid 27 and name HB2 )) 3.800 1.800 1.800 peak 614 spectrum 1 weight 0.10000E+01 volume 0.69152E-03 ppm1 7.676 ppm2 3.143 CV 1 ASSI { 616} (( segid " " and resid 33 and name HN )) (( segid " " and resid 32 and name HA1 )) 3.600 1.600 1.600 peak 616 spectrum 1 weight 0.10000E+01 volume 0.91009E-03 ppm1 7.484 ppm2 4.440 CV 1 ASSI { 617} (( segid " " and resid 33 and name HN )) (( segid " " and resid 32 and name HA2 )) 4.000 2.000 2.000 peak 617 spectrum 1 weight 0.10000E+01 volume 0.74654E-03 ppm1 7.484 ppm2 4.001 CV 1 ASSI { 619} (( segid " " and resid 40 and name HN )) (( segid " " and resid 40 and name HB2 )) 2.700 0.900 0.900 peak 619 spectrum 1 weight 0.10000E+01 volume 0.21761E-02 ppm1 8.365 ppm2 1.968 CV 1 ASSI { 620} (( segid " " and resid 40 and name HN )) (( segid " " and resid 40 and name HB3 )) 3.300 1.400 1.400 peak 620 spectrum 1 weight 0.10000E+01 volume 0.34511E-02 ppm1 8.365 ppm2 1.664 CV 1 ASSI { 621} (( segid " " and resid 42 and name HN )) (( segid " " and resid 42 and name HG3 )) 2.800 1.000 1.000 peak 621 spectrum 1 weight 0.10000E+01 volume 0.30292E-02 ppm1 7.718 ppm2 2.250 CV 1 ASSI { 622} (( segid " " and resid 43 and name HN )) (( segid " " and resid 43 and name HG3 )) 3.400 1.400 1.400 peak 622 spectrum 1 weight 0.10000E+01 volume 0.16327E-02 ppm1 8.490 ppm2 2.117 CV 1 ASSI { 624} (( segid " " and resid 44 and name HN )) (( segid " " and resid 44 and name HB2 )) 2.600 0.900 0.900 peak 624 spectrum 1 weight 0.10000E+01 volume 0.32574E-02 ppm1 6.908 ppm2 1.951 CV 1 ASSI { 625} (( segid " " and resid 44 and name HN )) (( segid " " and resid 44 and name HB3 )) 2.500 0.800 0.800 peak 625 spectrum 1 weight 0.10000E+01 volume 0.38782E-02 ppm1 6.908 ppm2 1.582 CV 1 ASSI { 628} (( segid " " and resid 47 and name HN )) (( segid " " and resid 47 and name HB3 )) 2.900 1.000 1.000 peak 628 spectrum 1 weight 0.10000E+01 volume 0.15820E-02 ppm1 7.942 ppm2 1.131 CV 1 ASSI { 631} (( segid " " and resid 48 and name HN )) (( segid " " and resid 48 and name HB3 )) 3.900 1.900 1.900 peak 631 spectrum 1 weight 0.10000E+01 volume 0.11223E-02 ppm1 8.271 ppm2 3.310 CV 1 ASSI { 632} (( segid " " and resid 50 and name HN )) (( segid " " and resid 50 and name HB )) 2.700 0.900 0.900 peak 632 spectrum 1 weight 0.10000E+01 volume 0.29077E-02 ppm1 8.261 ppm2 1.318 CV 1 ASSI { 633} (( segid " " and resid 50 and name HN )) (( segid " " and resid 50 and name HG13)) 2.700 0.900 0.900 peak 633 spectrum 1 weight 0.10000E+01 volume 0.23310E-02 ppm1 8.261 ppm2 1.625 CV 1 OR { 633} (( segid " " and resid 50 and name HN )) (( segid " " and resid 50 and name HG12)) ASSI { 636} (( segid " " and resid 51 and name HN )) (( segid " " and resid 51 and name HB3 )) 3.800 1.800 1.800 peak 636 spectrum 1 weight 0.10000E+01 volume 0.91500E-03 ppm1 8.171 ppm2 2.359 CV 1 ASSI { 638} (( segid " " and resid 58 and name HN )) (( segid " " and resid 58 and name HB2 )) 3.000 1.100 1.100 peak 638 spectrum 1 weight 0.10000E+01 volume 0.24297E-02 ppm1 8.520 ppm2 3.955 CV 1 ASSI { 639} (( segid " " and resid 58 and name HN )) (( segid " " and resid 58 and name HB3 )) 2.900 1.000 1.000 peak 639 spectrum 1 weight 0.10000E+01 volume 0.27635E-02 ppm1 8.520 ppm2 3.860 CV 1 ASSI { 641} (( segid " " and resid 62 and name HN )) (( segid " " and resid 62 and name HB3 )) 2.100 0.600 0.600 peak 641 spectrum 1 weight 0.10000E+01 volume 0.93224E-02 ppm1 7.919 ppm2 1.682 CV 1 ASSI { 642} (( segid " " and resid 65 and name HN )) (( segid " " and resid 65 and name HG2 )) 3.400 1.500 1.500 peak 642 spectrum 1 weight 0.10000E+01 volume 0.25873E-02 ppm1 8.698 ppm2 1.625 CV 1 ASSI { 643} (( segid " " and resid 65 and name HN )) (( segid " " and resid 65 and name HG3 )) 3.100 1.200 1.200 peak 643 spectrum 1 weight 0.10000E+01 volume 0.99873E-03 ppm1 8.698 ppm2 1.300 CV 1 ASSI { 644} (( segid " " and resid 69 and name HN )) (( segid " " and resid 69 and name HB3 )) 2.700 0.900 0.900 peak 644 spectrum 1 weight 0.10000E+01 volume 0.33055E-02 ppm1 8.309 ppm2 1.359 CV 1 ASSI { 645} (( segid " " and resid 71 and name HN )) (( segid " " and resid 71 and name HB2 )) 3.000 1.100 1.100 peak 645 spectrum 1 weight 0.10000E+01 volume 0.10339E-02 ppm1 8.336 ppm2 1.859 CV 1 ASSI { 646} (( segid " " and resid 90 and name HN )) (( segid " " and resid 90 and name HB3 )) 2.500 0.800 0.800 peak 646 spectrum 1 weight 0.10000E+01 volume 0.38448E-02 ppm1 7.179 ppm2 1.555 CV 1 ASSI { 647} (( segid " " and resid 90 and name HN )) (( segid " " and resid 90 and name HB2 )) 2.200 0.600 0.600 peak 647 spectrum 1 weight 0.10000E+01 volume 0.57247E-02 ppm1 7.179 ppm2 1.742 CV 1 ASSI { 648} (( segid " " and resid 91 and name HN )) (( segid " " and resid 91 and name HB2 )) 2.900 1.000 1.000 peak 648 spectrum 1 weight 0.10000E+01 volume 0.22789E-02 ppm1 8.883 ppm2 1.829 CV 1 ASSI { 649} (( segid " " and resid 93 and name HN )) (( segid " " and resid 93 and name HB3 )) 3.000 1.100 1.100 peak 649 spectrum 1 weight 0.10000E+01 volume 0.16407E-02 ppm1 8.178 ppm2 1.281 CV 1 ASSI { 650} (( segid " " and resid 95 and name HN )) (( segid " " and resid 95 and name HB2 )) 2.900 1.000 1.000 peak 650 spectrum 1 weight 0.10000E+01 volume 0.12957E-02 ppm1 8.939 ppm2 1.886 CV 1 ASSI { 651} (( segid " " and resid 95 and name HN )) (( segid " " and resid 95 and name HB3 )) 3.600 1.600 1.600 peak 651 spectrum 1 weight 0.10000E+01 volume 0.19318E-02 ppm1 8.939 ppm2 1.580 CV 1 ASSI { 652} (( segid " " and resid 96 and name HN )) (( segid " " and resid 96 and name HB2 )) 3.600 1.600 1.600 peak 652 spectrum 1 weight 0.10000E+01 volume 0.14992E-02 ppm1 8.502 ppm2 3.941 CV 1 ASSI { 653} (( segid " " and resid 96 and name HN )) (( segid " " and resid 96 and name HB3 )) 3.000 1.100 1.100 peak 653 spectrum 1 weight 0.10000E+01 volume 0.19678E-02 ppm1 8.502 ppm2 3.805 CV 1 ASSI { 654} (( segid " " and resid 97 and name HN )) (( segid " " and resid 97 and name HA1 )) 2.700 0.900 0.900 peak 654 spectrum 1 weight 0.10000E+01 volume 0.23790E-02 ppm1 8.882 ppm2 4.087 CV 1 ASSI { 655} (( segid " " and resid 103 and name HN )) (( segid " " and resid 103 and name HB3 )) 3.300 1.400 1.400 peak 655 spectrum 1 weight 0.10000E+01 volume 0.29170E-02 ppm1 8.451 ppm2 1.481 CV 1 ASSI { 656} (( segid " " and resid 107 and name HN )) (( segid " " and resid 107 and name HA )) 2.500 0.800 0.800 peak 656 spectrum 1 weight 0.10000E+01 volume 0.48808E-02 ppm1 7.480 ppm2 3.948 CV 1 ASSI { 657} (( segid " " and resid 109 and name HN )) (( segid " " and resid 108 and name HA )) 3.400 1.400 1.400 peak 657 spectrum 1 weight 0.10000E+01 volume 0.94652E-03 ppm1 8.102 ppm2 4.411 CV 1 ASSI { 658} (( segid " " and resid 111 and name HN )) (( segid " " and resid 111 and name HG2 )) 2.900 1.100 1.100 peak 658 spectrum 1 weight 0.10000E+01 volume 0.55538E-02 ppm1 6.980 ppm2 1.543 CV 1 ASSI { 660} (( segid " " and resid 112 and name HN )) ( segid " " and resid 112 and name HD1%) 4.000 2.000 2.000 peak 660 spectrum 1 weight 0.10000E+01 volume 0.17662E-02 ppm1 7.197 ppm2 0.945 CV 1 ASSI { 661} (( segid " " and resid 118 and name HN )) (( segid " " and resid 118 and name HB3 )) 3.000 1.100 1.100 peak 661 spectrum 1 weight 0.10000E+01 volume 0.18463E-02 ppm1 8.442 ppm2 1.101 CV 1 ASSI { 662} (( segid " " and resid 120 and name HN )) (( segid " " and resid 120 and name HB2 )) 2.900 1.100 1.100 peak 662 spectrum 1 weight 0.10000E+01 volume 0.13231E-02 ppm1 10.171 ppm2 2.210 CV 1 ASSI { 663} (( segid " " and resid 120 and name HN )) (( segid " " and resid 120 and name HB3 )) 4.100 2.100 1.900 peak 663 spectrum 1 weight 0.10000E+01 volume 0.99377E-03 ppm1 10.171 ppm2 1.427 CV 1 ASSI { 664} (( segid " " and resid 121 and name HN )) (( segid " " and resid 121 and name HB2 )) 2.900 1.000 1.000 peak 664 spectrum 1 weight 0.10000E+01 volume 0.22281E-02 ppm1 7.158 ppm2 3.138 CV 1 ASSI { 665} (( segid " " and resid 121 and name HN )) (( segid " " and resid 121 and name HB3 )) 3.400 1.400 1.400 peak 665 spectrum 1 weight 0.10000E+01 volume 0.20479E-02 ppm1 7.158 ppm2 3.046 CV 1 ASSI { 666} (( segid " " and resid 124 and name HN )) (( segid " " and resid 124 and name HA )) 3.900 1.900 1.900 peak 666 spectrum 1 weight 0.10000E+01 volume 0.39250E-03 ppm1 9.705 ppm2 4.220 CV 1 ASSI { 667} (( segid " " and resid 124 and name HN )) (( segid " " and resid 124 and name HB3 )) 3.000 1.100 1.100 peak 667 spectrum 1 weight 0.10000E+01 volume 0.14659E-02 ppm1 9.705 ppm2 2.031 CV 1 OR { 667} (( segid " " and resid 124 and name HN )) (( segid " " and resid 124 and name HB2 )) ASSI { 668} (( segid " " and resid 125 and name HN )) (( segid " " and resid 125 and name HB )) 2.900 1.100 1.100 peak 668 spectrum 1 weight 0.10000E+01 volume 0.57457E-02 ppm1 8.175 ppm2 1.626 CV 1 ASSI { 671} (( segid " " and resid 135 and name HN )) ( segid " " and resid 135 and name HG2%) 2.700 0.900 0.900 peak 671 spectrum 1 weight 0.10000E+01 volume 0.22789E-02 ppm1 8.389 ppm2 0.443 CV 1 ASSI { 674} (( segid " " and resid 145 and name HN )) (( segid " " and resid 145 and name HB3 )) 3.500 1.600 1.600 peak 674 spectrum 1 weight 0.10000E+01 volume 0.13711E-02 ppm1 8.995 ppm2 0.439 CV 1 ASSI { 679} (( segid " " and resid 144 and name HN )) (( segid " " and resid 144 and name HA )) 2.800 1.000 1.000 peak 679 spectrum 1 weight 0.10000E+01 volume 0.21934E-02 ppm1 8.152 ppm2 4.818 CV 1 ASSI { 682} (( segid " " and resid 145 and name HN )) (( segid " " and resid 144 and name HB2 )) 4.600 2.700 1.400 peak 682 spectrum 1 weight 0.10000E+01 volume 0.60238E-03 ppm1 8.995 ppm2 2.826 CV 1 ASSI { 683} (( segid " " and resid 150 and name HN )) (( segid " " and resid 150 and name HB2 )) 2.900 1.100 1.100 peak 683 spectrum 1 weight 0.10000E+01 volume 0.15553E-02 ppm1 8.269 ppm2 1.324 CV 1 ASSI { 684} (( segid " " and resid 150 and name HN )) (( segid " " and resid 150 and name HB3 )) 3.600 1.700 1.700 peak 684 spectrum 1 weight 0.10000E+01 volume 0.18984E-02 ppm1 8.269 ppm2 1.079 CV 1 ASSI { 685} (( segid " " and resid 150 and name HN )) (( segid " " and resid 150 and name HG2 )) 3.600 1.600 1.600 peak 685 spectrum 1 weight 0.10000E+01 volume 0.13844E-02 ppm1 8.269 ppm2 0.488 CV 1 ASSI { 686} (( segid " " and resid 150 and name HN )) (( segid " " and resid 150 and name HG3 )) 2.900 1.000 1.000 peak 686 spectrum 1 weight 0.10000E+01 volume 0.98901E-03 ppm1 8.269 ppm2 0.366 CV 1 ASSI { 688} (( segid " " and resid 158 and name HN )) (( segid " " and resid 157 and name HA )) 2.400 0.700 0.700 peak 688 spectrum 1 weight 0.10000E+01 volume 0.85257E-02 ppm1 7.950 ppm2 4.393 CV 1 ASSI { 690} (( segid " " and resid 54 and name HN )) (( segid " " and resid 54 and name HB3 )) 2.700 0.900 0.900 peak 690 spectrum 1 weight 0.10000E+01 volume 0.28663E-02 ppm1 8.570 ppm2 1.326 CV 1 OR { 690} (( segid " " and resid 54 and name HN )) (( segid " " and resid 54 and name HB2 )) ASSI { 692} (( segid " " and resid 66 and name HN )) ( segid " " and resid 66 and name HD2%) 4.500 2.500 1.500 peak 692 spectrum 1 weight 0.10000E+01 volume 0.11892E-02 ppm1 6.948 ppm2 0.754 CV 1 ASSI { 693} (( segid " " and resid 66 and name HN )) (( segid " " and resid 66 and name HB3 )) 3.000 1.200 1.200 peak 693 spectrum 1 weight 0.10000E+01 volume 0.27702E-02 ppm1 6.948 ppm2 1.447 CV 1 ASSI { 694} (( segid " " and resid 66 and name HN )) (( segid " " and resid 66 and name HB2 )) 2.300 0.700 0.700 peak 694 spectrum 1 weight 0.10000E+01 volume 0.28690E-02 ppm1 6.948 ppm2 1.855 CV 1 ASSI { 696} (( segid " " and resid 68 and name HN )) (( segid " " and resid 68 and name HB3 )) 3.500 1.500 1.500 peak 696 spectrum 1 weight 0.10000E+01 volume 0.15700E-02 ppm1 8.167 ppm2 1.761 CV 1 ASSI { 697} (( segid " " and resid 72 and name HN )) (( segid " " and resid 72 and name HB3 )) 3.100 1.200 1.200 peak 697 spectrum 1 weight 0.10000E+01 volume 0.18463E-02 ppm1 8.251 ppm2 3.773 CV 1 OR { 697} (( segid " " and resid 72 and name HN )) (( segid " " and resid 72 and name HB2 )) ASSI { 698} (( segid " " and resid 73 and name HN )) (( segid " " and resid 73 and name HB2 )) 3.500 1.500 1.500 peak 698 spectrum 1 weight 0.10000E+01 volume 0.94531E-03 ppm1 8.847 ppm2 2.232 CV 1 OR { 698} (( segid " " and resid 73 and name HN )) (( segid " " and resid 73 and name HG2 )) ASSI { 701} (( segid " " and resid 76 and name HN )) (( segid " " and resid 76 and name HB )) 2.500 0.800 0.800 peak 701 spectrum 1 weight 0.10000E+01 volume 0.33055E-02 ppm1 8.912 ppm2 1.643 CV 1 ASSI { 702} (( segid " " and resid 80 and name HN )) (( segid " " and resid 80 and name HB3 )) 3.400 1.500 1.500 peak 702 spectrum 1 weight 0.10000E+01 volume 0.24711E-02 ppm1 9.026 ppm2 1.449 CV 1 ASSI { 703} (( segid " " and resid 81 and name HN )) (( segid " " and resid 81 and name HG3 )) 3.100 1.200 1.200 peak 703 spectrum 1 weight 0.10000E+01 volume 0.30145E-02 ppm1 10.035 ppm2 2.351 CV 1 OR { 703} (( segid " " and resid 81 and name HN )) (( segid " " and resid 81 and name HG2 )) ASSI { 704} (( segid " " and resid 81 and name HN )) (( segid " " and resid 81 and name HB3 )) 2.400 0.700 0.700 peak 704 spectrum 1 weight 0.10000E+01 volume 0.66882E-02 ppm1 10.035 ppm2 2.058 CV 1 OR { 704} (( segid " " and resid 81 and name HN )) (( segid " " and resid 81 and name HB2 )) ASSI { 705} (( segid " " and resid 83 and name HN )) (( segid " " and resid 83 and name HB3 )) 3.500 1.500 1.500 peak 705 spectrum 1 weight 0.10000E+01 volume 0.25739E-02 ppm1 7.303 ppm2 1.217 CV 1 ASSI { 706} (( segid " " and resid 86 and name HN )) (( segid " " and resid 86 and name HB2 )) 3.300 1.400 1.400 peak 706 spectrum 1 weight 0.10000E+01 volume 0.20987E-02 ppm1 8.175 ppm2 2.349 CV 1 ASSI { 707} (( segid " " and resid 99 and name HN )) (( segid " " and resid 99 and name HB2 )) 2.800 1.000 1.000 peak 707 spectrum 1 weight 0.10000E+01 volume 0.16594E-02 ppm1 7.912 ppm2 1.951 CV 1 ASSI { 708} (( segid " " and resid 101 and name HN )) (( segid " " and resid 101 and name HB3 )) 2.900 1.000 1.000 peak 708 spectrum 1 weight 0.10000E+01 volume 0.25846E-02 ppm1 8.946 ppm2 1.723 CV 1 ASSI { 709} (( segid " " and resid 101 and name HN )) (( segid " " and resid 101 and name HB2 )) 2.600 0.800 0.800 peak 709 spectrum 1 weight 0.10000E+01 volume 0.28556E-02 ppm1 8.946 ppm2 1.789 CV 1 ASSI { 710} (( segid " " and resid 107 and name HN )) (( segid " " and resid 107 and name HB3 )) 2.200 0.600 0.600 peak 710 spectrum 1 weight 0.10000E+01 volume 0.63104E-02 ppm1 7.480 ppm2 2.178 CV 1 ASSI { 711} (( segid " " and resid 107 and name HN )) (( segid " " and resid 107 and name HB2 )) 2.400 0.700 0.700 peak 711 spectrum 1 weight 0.10000E+01 volume 0.52241E-02 ppm1 7.480 ppm2 2.236 CV 1 ASSI { 712} (( segid " " and resid 109 and name HN )) (( segid " " and resid 109 and name HB3 )) 3.400 1.500 1.500 peak 712 spectrum 1 weight 0.10000E+01 volume 0.24404E-02 ppm1 8.102 ppm2 1.367 CV 1 ASSI { 713} (( segid " " and resid 109 and name HN )) (( segid " " and resid 108 and name HB2 )) 3.100 1.200 1.200 peak 713 spectrum 1 weight 0.10000E+01 volume 0.58089E-03 ppm1 8.102 ppm2 2.399 CV 1 ASSI { 714} (( segid " " and resid 109 and name HN )) (( segid " " and resid 108 and name HB3 )) 4.200 2.200 1.800 peak 714 spectrum 1 weight 0.10000E+01 volume 0.67524E-03 ppm1 8.102 ppm2 1.168 CV 1 ASSI { 715} (( segid " " and resid 113 and name HN )) (( segid " " and resid 113 and name HB2 )) 3.200 1.300 1.300 peak 715 spectrum 1 weight 0.10000E+01 volume 0.41452E-02 ppm1 8.556 ppm2 2.055 CV 1 ASSI { 716} (( segid " " and resid 115 and name HN )) (( segid " " and resid 115 and name HB2 )) 2.400 0.700 0.700 peak 716 spectrum 1 weight 0.10000E+01 volume 0.33589E-02 ppm1 7.018 ppm2 1.951 CV 1 ASSI { 717} (( segid " " and resid 115 and name HN )) (( segid " " and resid 115 and name HB3 )) 3.000 1.100 1.100 peak 717 spectrum 1 weight 0.10000E+01 volume 0.49770E-02 ppm1 7.018 ppm2 1.361 CV 1 ASSI { 718} (( segid " " and resid 131 and name HN )) (( segid " " and resid 131 and name HB3 )) 2.200 0.600 0.600 peak 718 spectrum 1 weight 0.10000E+01 volume 0.67273E-02 ppm1 7.249 ppm2 2.670 CV 1 ASSI { 719} (( segid " " and resid 132 and name HN )) (( segid " " and resid 132 and name HB3 )) 3.300 1.400 1.400 peak 719 spectrum 1 weight 0.10000E+01 volume 0.33736E-02 ppm1 8.217 ppm2 1.598 CV 1 ASSI { 720} (( segid " " and resid 132 and name HN )) (( segid " " and resid 132 and name HB2 )) 2.500 0.800 0.800 peak 720 spectrum 1 weight 0.10000E+01 volume 0.31306E-02 ppm1 8.217 ppm2 1.685 CV 1 ASSI { 721} (( segid " " and resid 139 and name HN )) (( segid " " and resid 139 and name HB3 )) 3.500 1.500 1.500 peak 721 spectrum 1 weight 0.10000E+01 volume 0.25472E-02 ppm1 7.916 ppm2 1.003 CV 1 ASSI { 722} (( segid " " and resid 141 and name HN )) (( segid " " and resid 141 and name HB2 )) 3.000 1.200 1.200 peak 722 spectrum 1 weight 0.10000E+01 volume 0.26740E-02 ppm1 9.998 ppm2 2.208 CV 1 ASSI { 724} (( segid " " and resid 146 and name HN )) (( segid " " and resid 146 and name HB3 )) 4.200 2.300 1.800 peak 724 spectrum 1 weight 0.10000E+01 volume 0.71397E-03 ppm1 9.922 ppm2 2.821 CV 1 ASSI { 725} (( segid " " and resid 146 and name HN )) (( segid " " and resid 146 and name HB2 )) 4.100 2.100 1.900 peak 725 spectrum 1 weight 0.10000E+01 volume 0.42961E-03 ppm1 9.922 ppm2 2.910 CV 1 ASSI { 726} (( segid " " and resid 149 and name HN )) (( segid " " and resid 149 and name HB2 )) 3.600 1.600 1.600 peak 726 spectrum 1 weight 0.10000E+01 volume 0.90287E-03 ppm1 9.582 ppm2 3.350 CV 1 ASSI { 727} (( segid " " and resid 149 and name HN )) (( segid " " and resid 149 and name HB3 )) 3.100 1.200 1.200 peak 727 spectrum 1 weight 0.10000E+01 volume 0.12836E-02 ppm1 9.582 ppm2 2.693 CV 1 ASSI { 728} (( segid " " and resid 159 and name HN )) (( segid " " and resid 158 and name HB2 )) 3.500 1.500 1.500 peak 728 spectrum 1 weight 0.10000E+01 volume 0.16474E-02 ppm1 8.329 ppm2 3.784 CV 1 ASSI { 729} (( segid " " and resid 159 and name HN )) (( segid " " and resid 158 and name HB3 )) 3.700 1.700 1.700 peak 729 spectrum 1 weight 0.10000E+01 volume 0.10588E-02 ppm1 8.329 ppm2 3.702 CV 1 ASSI { 730} (( segid " " and resid 131 and name HN )) (( segid " " and resid 131 and name HB2 )) 3.000 1.200 1.200 peak 730 spectrum 1 weight 0.10000E+01 volume 0.57873E-02 ppm1 7.249 ppm2 3.613 CV 1 ASSI { 736} (( segid " " and resid 2 and name HN )) (( segid " " and resid 2 and name HB2 )) 2.800 1.000 1.000 peak 736 spectrum 1 weight 0.10000E+01 volume 0.22922E-02 ppm1 9.303 ppm2 2.411 CV 1 OR { 736} (( segid " " and resid 2 and name HN )) (( segid " " and resid 2 and name HG3 )) ASSI { 739} (( segid " " and resid 5 and name HN )) (( segid " " and resid 6 and name HN )) 2.700 0.900 0.900 peak 739 spectrum 1 weight 0.10000E+01 volume 0.21013E-02 ppm1 7.422 ppm2 8.290 CV 1 ASSI { 750} (( segid " " and resid 5 and name HN )) (( segid " " and resid 3 and name HA )) 4.100 2.100 1.900 peak 750 spectrum 1 weight 0.10000E+01 volume 0.44176E-03 ppm1 7.422 ppm2 4.003 CV 1 ASSI { 753} (( segid " " and resid 5 and name HN )) (( segid " " and resid 4 and name HB3 )) 3.400 1.500 1.500 peak 753 spectrum 1 weight 0.10000E+01 volume 0.88699E-03 ppm1 7.422 ppm2 2.462 CV 1 ASSI { 754} (( segid " " and resid 5 and name HN )) (( segid " " and resid 6 and name HB2 )) 4.700 2.800 1.300 peak 754 spectrum 1 weight 0.10000E+01 volume 0.43255E-03 ppm1 7.422 ppm2 2.250 CV 1 ASSI { 757} (( segid " " and resid 7 and name HN )) (( segid " " and resid 6 and name HB2 )) 3.300 1.400 1.400 peak 757 spectrum 1 weight 0.10000E+01 volume 0.70530E-03 ppm1 8.444 ppm2 2.240 CV 1 ASSI { 758} (( segid " " and resid 8 and name HN )) (( segid " " and resid 9 and name HN )) 2.700 0.900 0.900 peak 758 spectrum 1 weight 0.10000E+01 volume 0.26353E-02 ppm1 7.698 ppm2 8.073 CV 1 ASSI { 759} (( segid " " and resid 8 and name HN )) (( segid " " and resid 7 and name HN )) 2.700 0.900 0.900 peak 759 spectrum 1 weight 0.10000E+01 volume 0.24912E-02 ppm1 7.698 ppm2 8.442 CV 1 ASSI { 761} (( segid " " and resid 8 and name HN )) (( segid " " and resid 7 and name HA )) 3.400 1.400 1.400 peak 761 spectrum 1 weight 0.10000E+01 volume 0.12716E-02 ppm1 7.698 ppm2 3.427 CV 1 ASSI { 762} (( segid " " and resid 8 and name HN )) (( segid " " and resid 7 and name HB )) 2.400 0.700 0.700 peak 762 spectrum 1 weight 0.10000E+01 volume 0.46886E-02 ppm1 7.698 ppm2 1.899 CV 1 OR { 762} (( segid " " and resid 8 and name HN )) (( segid " " and resid 7 and name HG12)) ASSI { 765} (( segid " " and resid 9 and name HN )) (( segid " " and resid 10 and name HN )) 2.700 0.900 0.900 peak 765 spectrum 1 weight 0.10000E+01 volume 0.20773E-02 ppm1 8.077 ppm2 8.395 CV 1 ASSI { 771} (( segid " " and resid 9 and name HN )) (( segid " " and resid 8 and name HB3 )) 2.800 1.000 1.000 peak 771 spectrum 1 weight 0.10000E+01 volume 0.26327E-02 ppm1 8.077 ppm2 3.226 CV 1 OR { 771} (( segid " " and resid 9 and name HN )) (( segid " " and resid 8 and name HB2 )) ASSI { 772} (( segid " " and resid 10 and name HN )) (( segid " " and resid 7 and name HA )) 3.100 1.200 1.200 peak 772 spectrum 1 weight 0.10000E+01 volume 0.12270E-02 ppm1 8.395 ppm2 3.430 CV 1 ASSI { 775} (( segid " " and resid 10 and name HN )) (( segid " " and resid 11 and name HB3 )) 5.300 3.500 0.700 peak 775 spectrum 1 weight 0.10000E+01 volume 0.47020E-03 ppm1 8.395 ppm2 1.707 CV 1 ASSI { 778} (( segid " " and resid 10 and name HN )) (( segid " " and resid 11 and name HN )) 2.600 0.800 0.800 peak 778 spectrum 1 weight 0.10000E+01 volume 0.20172E-02 ppm1 8.395 ppm2 8.151 CV 1 ASSI { 781} (( segid " " and resid 11 and name HN )) (( segid " " and resid 10 and name HB2 )) 3.000 1.100 1.100 peak 781 spectrum 1 weight 0.10000E+01 volume 0.11086E-02 ppm1 8.164 ppm2 2.154 CV 1 ASSI { 782} (( segid " " and resid 11 and name HN )) (( segid " " and resid 10 and name HG3 )) 5.500 3.800 0.500 peak 782 spectrum 1 weight 0.10000E+01 volume 0.42227E-03 ppm1 8.164 ppm2 2.310 CV 1 ASSI { 783} (( segid " " and resid 11 and name HN )) (( segid " " and resid 10 and name HG2 )) 4.900 3.000 1.100 peak 783 spectrum 1 weight 0.10000E+01 volume 0.46419E-03 ppm1 8.164 ppm2 2.478 CV 1 ASSI { 787} (( segid " " and resid 10 and name HN )) (( segid " " and resid 8 and name HA )) 4.200 2.200 1.800 peak 787 spectrum 1 weight 0.10000E+01 volume 0.42894E-03 ppm1 8.395 ppm2 4.232 CV 1 ASSI { 791} (( segid " " and resid 2 and name HN )) (( segid " " and resid 5 and name HD3 )) 5.000 3.100 1.000 peak 791 spectrum 1 weight 0.10000E+01 volume 0.55779E-03 ppm1 9.303 ppm2 1.729 CV 1 OR { 791} (( segid " " and resid 2 and name HN )) (( segid " " and resid 5 and name HD2 )) ASSI { 792} (( segid " " and resid 2 and name HN )) (( segid " " and resid 5 and name HG2 )) 4.000 2.000 2.000 peak 792 spectrum 1 weight 0.10000E+01 volume 0.41319E-03 ppm1 9.303 ppm2 1.593 CV 1 ASSI { 793} (( segid " " and resid 12 and name HN )) (( segid " " and resid 14 and name HN )) 4.500 2.600 1.500 peak 793 spectrum 1 weight 0.10000E+01 volume 0.66592E-03 ppm1 7.434 ppm2 7.750 CV 1 ASSI { 794} (( segid " " and resid 12 and name HN )) (( segid " " and resid 11 and name HN )) 2.500 0.800 0.800 peak 794 spectrum 1 weight 0.10000E+01 volume 0.28556E-02 ppm1 7.433 ppm2 8.160 CV 1 ASSI { 795} (( segid " " and resid 12 and name HN )) (( segid " " and resid 10 and name HN )) 4.100 2.100 1.900 peak 795 spectrum 1 weight 0.10000E+01 volume 0.53880E-03 ppm1 7.433 ppm2 8.393 CV 1 ASSI { 796} (( segid " " and resid 12 and name HN )) (( segid " " and resid 13 and name HN )) 3.000 1.100 1.100 peak 796 spectrum 1 weight 0.10000E+01 volume 0.15927E-02 ppm1 7.433 ppm2 8.748 CV 1 ASSI { 799} (( segid " " and resid 12 and name HN )) (( segid " " and resid 12 and name HD2 )) 4.800 2.900 1.200 peak 799 spectrum 1 weight 0.10000E+01 volume 0.43255E-03 ppm1 7.433 ppm2 3.200 CV 1 OR { 799} (( segid " " and resid 12 and name HN )) (( segid " " and resid 12 and name HD3 )) ASSI { 803} (( segid " " and resid 26 and name HN )) (( segid " " and resid 27 and name HN )) 3.500 1.500 1.500 peak 803 spectrum 1 weight 0.10000E+01 volume 0.14004E-02 ppm1 8.760 ppm2 7.672 CV 1 ASSI { 804} (( segid " " and resid 13 and name HN )) (( segid " " and resid 15 and name HA )) 3.500 3.500 2.500 peak 804 spectrum 1 weight 0.10000E+01 volume 0.17836E-02 ppm1 8.754 ppm2 4.740 CV 1 ASSI { 805} (( segid " " and resid 13 and name HN )) (( segid " " and resid 12 and name HA )) 2.700 0.900 0.900 peak 805 spectrum 1 weight 0.10000E+01 volume 0.46058E-02 ppm1 8.753 ppm2 3.959 CV 1 ASSI { 808} (( segid " " and resid 14 and name HN )) (( segid " " and resid 14 and name HE )) 3.800 1.800 1.800 peak 808 spectrum 1 weight 0.10000E+01 volume 0.80567E-03 ppm1 7.757 ppm2 7.071 CV 1 ASSI { 809} (( segid " " and resid 14 and name HN )) (( segid " " and resid 15 and name HN )) 4.400 2.400 1.600 peak 809 spectrum 1 weight 0.10000E+01 volume 0.76082E-03 ppm1 7.757 ppm2 8.522 CV 1 ASSI { 810} (( segid " " and resid 14 and name HN )) (( segid " " and resid 13 and name HN )) 2.600 0.900 0.900 peak 810 spectrum 1 weight 0.10000E+01 volume 0.31400E-02 ppm1 7.757 ppm2 8.754 CV 1 ASSI { 811} (( segid " " and resid 14 and name HN )) (( segid " " and resid 13 and name HA )) 3.200 1.200 1.200 peak 811 spectrum 1 weight 0.10000E+01 volume 0.31119E-02 ppm1 7.757 ppm2 4.407 CV 1 ASSI { 812} (( segid " " and resid 14 and name HN )) (( segid " " and resid 11 and name HA )) 3.000 1.100 1.100 peak 812 spectrum 1 weight 0.10000E+01 volume 0.15580E-02 ppm1 7.757 ppm2 3.976 CV 1 ASSI { 813} (( segid " " and resid 14 and name HN )) (( segid " " and resid 14 and name HD2 )) 4.600 2.600 1.400 peak 813 spectrum 1 weight 0.10000E+01 volume 0.66151E-03 ppm1 7.757 ppm2 3.313 CV 1 ASSI { 814} (( segid " " and resid 14 and name HN )) (( segid " " and resid 13 and name HB2 )) 3.500 1.600 1.600 peak 814 spectrum 1 weight 0.10000E+01 volume 0.82756E-03 ppm1 7.757 ppm2 3.048 CV 1 ASSI { 815} (( segid " " and resid 14 and name HN )) (( segid " " and resid 14 and name HD3 )) 4.800 2.900 1.200 peak 815 spectrum 1 weight 0.10000E+01 volume 0.50172E-03 ppm1 7.757 ppm2 3.106 CV 1 ASSI { 816} (( segid " " and resid 14 and name HN )) (( segid " " and resid 13 and name HB3 )) 3.700 1.700 1.700 peak 816 spectrum 1 weight 0.10000E+01 volume 0.64868E-03 ppm1 7.757 ppm2 2.932 CV 1 ASSI { 817} (( segid " " and resid 21 and name HN )) (( segid " " and resid 20 and name HB3 )) 3.000 1.100 1.100 peak 817 spectrum 1 weight 0.10000E+01 volume 0.22829E-02 ppm1 7.754 ppm2 1.908 CV 1 ASSI { 818} (( segid " " and resid 21 and name HN )) (( segid " " and resid 20 and name HG3 )) 3.900 1.900 1.900 peak 818 spectrum 1 weight 0.10000E+01 volume 0.12065E-02 ppm1 7.754 ppm2 1.603 CV 1 OR { 818} (( segid " " and resid 21 and name HN )) (( segid " " and resid 20 and name HG2 )) ASSI { 819} (( segid " " and resid 21 and name HN )) (( segid " " and resid 22 and name HB2 )) 4.300 2.300 1.700 peak 819 spectrum 1 weight 0.10000E+01 volume 0.44536E-03 ppm1 7.754 ppm2 1.321 CV 1 OR { 819} (( segid " " and resid 21 and name HN )) (( segid " " and resid 22 and name HB3 )) ASSI { 820} (( segid " " and resid 21 and name HN )) ( segid " " and resid 19 and name HG1%) 2.700 0.900 0.900 peak 820 spectrum 1 weight 0.10000E+01 volume 0.48742E-02 ppm1 7.754 ppm2 0.993 CV 1 OR { 820} (( segid " " and resid 21 and name HN )) ( segid " " and resid 19 and name HG2%) ASSI { 822} (( segid " " and resid 21 and name HN )) ( segid " " and resid 22 and name HD1%) 4.400 2.500 1.600 peak 822 spectrum 1 weight 0.10000E+01 volume 0.72680E-03 ppm1 7.754 ppm2 0.716 CV 1 OR { 822} (( segid " " and resid 21 and name HN )) ( segid " " and resid 22 and name HD2%) ASSI { 823} (( segid " " and resid 21 and name HN )) (( segid " " and resid 20 and name HA )) 3.500 1.500 1.500 peak 823 spectrum 1 weight 0.10000E+01 volume 0.13111E-02 ppm1 7.754 ppm2 4.896 CV 1 ASSI { 824} (( segid " " and resid 21 and name HN )) (( segid " " and resid 19 and name HA )) 3.600 1.600 1.600 peak 824 spectrum 1 weight 0.10000E+01 volume 0.30238E-02 ppm1 7.754 ppm2 3.840 CV 1 ASSI { 825} (( segid " " and resid 21 and name HN )) (( segid " " and resid 22 and name HN )) 4.300 2.300 1.700 peak 825 spectrum 1 weight 0.10000E+01 volume 0.77300E-03 ppm1 7.754 ppm2 8.160 CV 1 ASSI { 826} (( segid " " and resid 21 and name HN )) (( segid " " and resid 20 and name HN )) 2.200 0.600 0.600 peak 826 spectrum 1 weight 0.10000E+01 volume 0.72038E-02 ppm1 7.754 ppm2 8.623 CV 1 ASSI { 828} (( segid " " and resid 14 and name HN )) ( segid " " and resid 11 and name HD2%) 4.400 2.400 1.600 peak 828 spectrum 1 weight 0.10000E+01 volume 0.73026E-03 ppm1 7.757 ppm2 0.805 CV 1 ASSI { 831} (( segid " " and resid 15 and name HN )) (( segid " " and resid 14 and name HA )) 2.200 0.600 0.600 peak 831 spectrum 1 weight 0.10000E+01 volume 0.77270E-02 ppm1 8.521 ppm2 4.564 CV 1 ASSI { 832} (( segid " " and resid 15 and name HN )) (( segid " " and resid 16 and name HD2 )) 5.000 3.200 1.000 peak 832 spectrum 1 weight 0.10000E+01 volume 0.52667E-03 ppm1 8.521 ppm2 3.827 CV 1 ASSI { 833} (( segid " " and resid 15 and name HN )) (( segid " " and resid 14 and name HD2 )) 4.800 2.900 1.200 peak 833 spectrum 1 weight 0.10000E+01 volume 0.48114E-03 ppm1 8.521 ppm2 3.319 CV 1 ASSI { 834} (( segid " " and resid 15 and name HN )) (( segid " " and resid 14 and name HD3 )) 5.200 3.300 0.800 peak 834 spectrum 1 weight 0.10000E+01 volume 0.48595E-03 ppm1 8.521 ppm2 3.112 CV 1 ASSI { 835} (( segid " " and resid 15 and name HN )) (( segid " " and resid 18 and name HB2 )) 3.100 1.200 1.200 peak 835 spectrum 1 weight 0.10000E+01 volume 0.12082E-02 ppm1 8.521 ppm2 2.847 CV 1 ASSI { 836} (( segid " " and resid 15 and name HN )) (( segid " " and resid 18 and name HB3 )) 3.600 1.600 1.600 peak 836 spectrum 1 weight 0.10000E+01 volume 0.20773E-02 ppm1 8.521 ppm2 2.761 CV 1 ASSI { 838} (( segid " " and resid 15 and name HN )) (( segid " " and resid 14 and name HG3 )) 3.800 1.800 1.800 peak 838 spectrum 1 weight 0.10000E+01 volume 0.16474E-02 ppm1 8.521 ppm2 1.746 CV 1 OR { 838} (( segid " " and resid 15 and name HN )) (( segid " " and resid 14 and name HG2 )) ASSI { 839} (( segid " " and resid 15 and name HN )) (( segid " " and resid 14 and name HB3 )) 3.500 1.500 1.500 peak 839 spectrum 1 weight 0.10000E+01 volume 0.28423E-02 ppm1 8.521 ppm2 1.841 CV 1 ASSI { 840} (( segid " " and resid 15 and name HN )) (( segid " " and resid 14 and name HB2 )) 2.900 1.000 1.000 peak 840 spectrum 1 weight 0.10000E+01 volume 0.36740E-02 ppm1 8.521 ppm2 1.951 CV 1 ASSI { 842} (( segid " " and resid 20 and name HN )) (( segid " " and resid 44 and name HA )) 4.500 2.500 1.500 peak 842 spectrum 1 weight 0.10000E+01 volume 0.44723E-03 ppm1 8.623 ppm2 4.112 CV 1 ASSI { 843} (( segid " " and resid 20 and name HN )) (( segid " " and resid 19 and name HA )) 2.000 0.500 0.500 peak 843 spectrum 1 weight 0.10000E+01 volume 0.10173E-01 ppm1 8.623 ppm2 3.844 CV 1 ASSI { 845} (( segid " " and resid 20 and name HN )) (( segid " " and resid 19 and name HN )) 4.500 2.600 1.500 peak 845 spectrum 1 weight 0.10000E+01 volume 0.51881E-03 ppm1 8.622 ppm2 7.234 CV 1 ASSI { 846} (( segid " " and resid 20 and name HN )) ( segid " " and resid 19 and name HG1%) 3.200 1.300 1.300 peak 846 spectrum 1 weight 0.10000E+01 volume 0.34511E-02 ppm1 8.623 ppm2 0.985 CV 1 OR { 846} (( segid " " and resid 20 and name HN )) ( segid " " and resid 19 and name HG2%) ASSI { 851} (( segid " " and resid 68 and name HN )) (( segid " " and resid 67 and name HN )) 2.300 0.600 0.600 peak 851 spectrum 1 weight 0.10000E+01 volume 0.33536E-02 ppm1 8.167 ppm2 9.157 CV 1 ASSI { 852} (( segid " " and resid 22 and name HN )) (( segid " " and resid 23 and name HN )) 4.100 2.100 1.900 peak 852 spectrum 1 weight 0.10000E+01 volume 0.87617E-03 ppm1 8.157 ppm2 9.045 CV 1 ASSI { 853} (( segid " " and resid 22 and name HN )) (( segid " " and resid 47 and name HN )) 4.500 2.500 1.500 peak 853 spectrum 1 weight 0.10000E+01 volume 0.49502E-03 ppm1 8.157 ppm2 7.944 CV 1 ASSI { 856} (( segid " " and resid 68 and name HN )) (( segid " " and resid 69 and name HN )) 3.800 1.800 1.800 peak 856 spectrum 1 weight 0.10000E+01 volume 0.12734E-02 ppm1 8.167 ppm2 8.315 CV 1 ASSI { 858} (( segid " " and resid 22 and name HN )) (( segid " " and resid 47 and name HA )) 2.900 1.100 1.100 peak 858 spectrum 1 weight 0.10000E+01 volume 0.17449E-02 ppm1 8.156 ppm2 4.982 CV 1 ASSI { 860} (( segid " " and resid 22 and name HN )) (( segid " " and resid 46 and name HB3 )) 3.800 1.800 1.800 peak 860 spectrum 1 weight 0.10000E+01 volume 0.97683E-03 ppm1 8.156 ppm2 2.883 CV 1 ASSI { 861} (( segid " " and resid 68 and name HN )) (( segid " " and resid 45 and name HA )) 4.200 2.200 1.800 peak 861 spectrum 1 weight 0.10000E+01 volume 0.71653E-03 ppm1 8.167 ppm2 5.128 CV 1 ASSI { 862} (( segid " " and resid 68 and name HN )) (( segid " " and resid 67 and name HA )) 3.600 1.700 1.700 peak 862 spectrum 1 weight 0.10000E+01 volume 0.88699E-03 ppm1 8.167 ppm2 4.836 CV 1 ASSI { 863} (( segid " " and resid 22 and name HN )) (( segid " " and resid 21 and name HA )) 2.100 0.600 0.600 peak 863 spectrum 1 weight 0.10000E+01 volume 0.86214E-02 ppm1 8.156 ppm2 5.474 CV 1 ASSI { 864} (( segid " " and resid 68 and name HN )) (( segid " " and resid 66 and name HA )) 4.300 2.300 1.700 peak 864 spectrum 1 weight 0.10000E+01 volume 0.13111E-02 ppm1 8.167 ppm2 4.145 CV 1 ASSI { 866} (( segid " " and resid 22 and name HN )) (( segid " " and resid 21 and name HB2 )) 3.600 1.600 1.600 peak 866 spectrum 1 weight 0.10000E+01 volume 0.16528E-02 ppm1 8.156 ppm2 2.174 CV 1 ASSI { 867} (( segid " " and resid 22 and name HN )) (( segid " " and resid 21 and name HB3 )) 3.300 1.300 1.300 peak 867 spectrum 1 weight 0.10000E+01 volume 0.17155E-02 ppm1 8.156 ppm2 2.084 CV 1 ASSI { 868} (( segid " " and resid 68 and name HN )) ( segid " " and resid 66 and name HD2%) 2.600 0.800 0.800 peak 868 spectrum 1 weight 0.10000E+01 volume 0.47233E-02 ppm1 8.157 ppm2 0.783 CV 1 ASSI { 869} (( segid " " and resid 68 and name HN )) (( segid " " and resid 68 and name HB2 )) 2.700 0.900 0.900 peak 869 spectrum 1 weight 0.10000E+01 volume 0.17209E-02 ppm1 8.167 ppm2 1.883 CV 1 ASSI { 871} (( segid " " and resid 68 and name HN )) (( segid " " and resid 68 and name HG3 )) 3.500 1.500 1.500 peak 871 spectrum 1 weight 0.10000E+01 volume 0.57312E-03 ppm1 8.167 ppm2 1.184 CV 1 ASSI { 872} (( segid " " and resid 68 and name HN )) ( segid " " and resid 66 and name HD1%) 5.000 3.100 1.000 peak 872 spectrum 1 weight 0.10000E+01 volume 0.78633E-03 ppm1 8.167 ppm2 1.039 CV 1 ASSI { 874} (( segid " " and resid 23 and name HN )) (( segid " " and resid 22 and name HA )) 2.200 0.600 0.600 peak 874 spectrum 1 weight 0.10000E+01 volume 0.72705E-02 ppm1 9.040 ppm2 4.631 CV 1 ASSI { 876} (( segid " " and resid 23 and name HN )) (( segid " " and resid 22 and name HG )) 3.600 1.600 1.600 peak 876 spectrum 1 weight 0.10000E+01 volume 0.12923E-02 ppm1 9.040 ppm2 1.312 CV 1 OR { 876} (( segid " " and resid 23 and name HN )) (( segid " " and resid 22 and name HB3 )) ASSI { 879} (( segid " " and resid 24 and name HN )) ( segid " " and resid 23 and name HG1%) 3.700 1.700 1.700 peak 879 spectrum 1 weight 0.10000E+01 volume 0.82756E-03 ppm1 8.941 ppm2 0.832 CV 1 OR { 879} (( segid " " and resid 24 and name HN )) ( segid " " and resid 23 and name HG2%) ASSI { 880} (( segid " " and resid 24 and name HN )) (( segid " " and resid 23 and name HA )) 2.800 1.000 1.000 peak 880 spectrum 1 weight 0.10000E+01 volume 0.18877E-02 ppm1 8.941 ppm2 4.190 CV 1 ASSI { 881} (( segid " " and resid 25 and name HN )) (( segid " " and resid 24 and name HN )) 3.100 1.200 1.200 peak 881 spectrum 1 weight 0.10000E+01 volume 0.18183E-02 ppm1 7.018 ppm2 8.940 CV 1 ASSI { 882} (( segid " " and resid 25 and name HN )) (( segid " " and resid 24 and name HA )) 3.100 1.200 1.200 peak 882 spectrum 1 weight 0.10000E+01 volume 0.13924E-02 ppm1 7.019 ppm2 4.423 CV 1 ASSI { 884} (( segid " " and resid 25 and name HN )) (( segid " " and resid 23 and name HA )) 4.400 2.400 1.600 peak 884 spectrum 1 weight 0.10000E+01 volume 0.92838E-03 ppm1 7.019 ppm2 4.187 CV 1 ASSI { 885} (( segid " " and resid 25 and name HN )) (( segid " " and resid 24 and name HB2 )) 4.100 2.100 1.900 peak 885 spectrum 1 weight 0.10000E+01 volume 0.60319E-03 ppm1 7.019 ppm2 1.656 CV 1 OR { 885} (( segid " " and resid 25 and name HN )) (( segid " " and resid 24 and name HB3 )) ASSI { 886} (( segid " " and resid 25 and name HN )) (( segid " " and resid 24 and name HG )) 4.600 2.700 1.400 peak 886 spectrum 1 weight 0.10000E+01 volume 0.48969E-03 ppm1 7.019 ppm2 1.377 CV 1 ASSI { 889} (( segid " " and resid 26 and name HN )) (( segid " " and resid 51 and name HB2 )) 4.700 2.800 1.300 peak 889 spectrum 1 weight 0.10000E+01 volume 0.63240E-03 ppm1 8.760 ppm2 3.572 CV 1 ASSI { 891} (( segid " " and resid 26 and name HN )) (( segid " " and resid 25 and name HB2 )) 3.900 1.900 1.900 peak 891 spectrum 1 weight 0.10000E+01 volume 0.13457E-02 ppm1 8.760 ppm2 2.525 CV 1 ASSI { 892} (( segid " " and resid 26 and name HN )) (( segid " " and resid 25 and name HB3 )) 3.900 1.900 1.900 peak 892 spectrum 1 weight 0.10000E+01 volume 0.11824E-02 ppm1 8.760 ppm2 2.416 CV 1 ASSI { 894} (( segid " " and resid 26 and name HN )) (( segid " " and resid 50 and name HB )) 4.300 2.300 1.700 peak 894 spectrum 1 weight 0.10000E+01 volume 0.43255E-03 ppm1 8.760 ppm2 1.308 CV 1 ASSI { 897} (( segid " " and resid 56 and name HN )) (( segid " " and resid 55 and name HN )) 2.500 0.800 0.800 peak 897 spectrum 1 weight 0.10000E+01 volume 0.37808E-02 ppm1 7.688 ppm2 10.118 CV 1 ASSI { 900} (( segid " " and resid 27 and name HN )) (( segid " " and resid 26 and name HB3 )) 4.800 2.900 1.200 peak 900 spectrum 1 weight 0.10000E+01 volume 0.43508E-03 ppm1 7.675 ppm2 2.950 CV 1 ASSI { 901} (( segid " " and resid 27 and name HN )) (( segid " " and resid 26 and name HA )) 3.200 1.300 1.300 peak 901 spectrum 1 weight 0.10000E+01 volume 0.12459E-02 ppm1 7.675 ppm2 4.510 CV 1 ASSI { 903} (( segid " " and resid 56 and name HN )) (( segid " " and resid 54 and name HB2 )) 3.400 1.500 1.500 peak 903 spectrum 1 weight 0.10000E+01 volume 0.11824E-02 ppm1 7.689 ppm2 1.315 CV 1 OR { 903} (( segid " " and resid 56 and name HN )) (( segid " " and resid 54 and name HB3 )) ASSI { 905} (( segid " " and resid 56 and name HN )) (( segid " " and resid 57 and name HA )) 3.700 1.700 1.700 peak 905 spectrum 1 weight 0.10000E+01 volume 0.80206E-03 ppm1 7.688 ppm2 4.751 CV 1 ASSI { 907} (( segid " " and resid 56 and name HN )) (( segid " " and resid 55 and name HB )) 4.400 2.400 1.600 peak 907 spectrum 1 weight 0.10000E+01 volume 0.66923E-03 ppm1 7.688 ppm2 4.421 CV 1 ASSI { 908} (( segid " " and resid 28 and name HN )) (( segid " " and resid 27 and name HA )) 2.800 1.000 1.000 peak 908 spectrum 1 weight 0.10000E+01 volume 0.25472E-02 ppm1 8.155 ppm2 5.030 CV 1 ASSI { 910} (( segid " " and resid 136 and name HN )) (( segid " " and resid 135 and name HA )) 3.300 1.400 1.400 peak 910 spectrum 1 weight 0.10000E+01 volume 0.11687E-02 ppm1 8.146 ppm2 3.339 CV 1 ASSI { 911} (( segid " " and resid 136 and name HN )) (( segid " " and resid 133 and name HA )) 3.200 1.300 1.300 peak 911 spectrum 1 weight 0.10000E+01 volume 0.17983E-02 ppm1 8.146 ppm2 3.980 CV 1 ASSI { 912} (( segid " " and resid 136 and name HN )) (( segid " " and resid 135 and name HN )) 2.400 0.700 0.700 peak 912 spectrum 1 weight 0.10000E+01 volume 0.38689E-02 ppm1 8.146 ppm2 8.388 CV 1 ASSI { 913} (( segid " " and resid 136 and name HN )) (( segid " " and resid 134 and name HN )) 3.800 1.800 1.800 peak 913 spectrum 1 weight 0.10000E+01 volume 0.72329E-03 ppm1 8.146 ppm2 8.602 CV 1 ASSI { 914} (( segid " " and resid 136 and name HN )) (( segid " " and resid 137 and name HN )) 2.500 0.800 0.800 peak 914 spectrum 1 weight 0.10000E+01 volume 0.33736E-02 ppm1 8.146 ppm2 7.586 CV 1 ASSI { 915} (( segid " " and resid 136 and name HN )) ( segid " " and resid 136 and name HD% ) 3.000 1.100 1.100 peak 915 spectrum 1 weight 0.10000E+01 volume 0.25018E-02 ppm1 8.146 ppm2 7.126 CV 1 OR { 915} (( segid " " and resid 136 and name HN )) ( segid " " and resid 136 and name HE% ) ASSI { 916} (( segid " " and resid 123 and name HN )) ( segid " " and resid 126 and name HG2%) 2.500 0.800 0.800 peak 916 spectrum 1 weight 0.10000E+01 volume 0.39610E-02 ppm1 8.137 ppm2 0.973 CV 1 ASSI { 918} (( segid " " and resid 136 and name HN )) ( segid " " and resid 145 and name HD1%) 3.600 1.700 1.700 peak 918 spectrum 1 weight 0.10000E+01 volume 0.10846E-02 ppm1 8.146 ppm2 -0.065 CV 1 ASSI { 924} (( segid " " and resid 28 and name HN )) (( segid " " and resid 27 and name HB2 )) 3.400 1.400 1.400 peak 924 spectrum 1 weight 0.10000E+01 volume 0.23270E-02 ppm1 8.155 ppm2 3.141 CV 1 ASSI { 925} (( segid " " and resid 29 and name HN )) (( segid " " and resid 52 and name HB )) 3.800 1.800 1.800 peak 925 spectrum 1 weight 0.10000E+01 volume 0.60063E-03 ppm1 8.480 ppm2 2.247 CV 1 ASSI { 926} (( segid " " and resid 29 and name HN )) (( segid " " and resid 28 and name HA )) 2.600 0.900 0.900 peak 926 spectrum 1 weight 0.10000E+01 volume 0.28449E-02 ppm1 8.480 ppm2 4.647 CV 1 ASSI { 927} (( segid " " and resid 33 and name HN )) (( segid " " and resid 32 and name HN )) 2.900 1.100 1.100 peak 927 spectrum 1 weight 0.10000E+01 volume 0.21347E-02 ppm1 7.484 ppm2 7.647 CV 1 ASSI { 929} (( segid " " and resid 33 and name HN )) (( segid " " and resid 29 and name HB2 )) 3.900 1.900 1.900 peak 929 spectrum 1 weight 0.10000E+01 volume 0.60584E-03 ppm1 7.484 ppm2 3.897 CV 1 ASSI { 931} (( segid " " and resid 33 and name HN )) (( segid " " and resid 35 and name HG2 )) 4.100 2.100 1.900 peak 931 spectrum 1 weight 0.10000E+01 volume 0.45204E-03 ppm1 7.484 ppm2 2.247 CV 1 ASSI { 932} (( segid " " and resid 33 and name HN )) ( segid " " and resid 30 and name HG2%) 4.600 2.600 1.400 peak 932 spectrum 1 weight 0.10000E+01 volume 0.41319E-03 ppm1 7.484 ppm2 0.956 CV 1 OR { 932} (( segid " " and resid 33 and name HN )) ( segid " " and resid 30 and name HD1%) ASSI { 934} (( segid " " and resid 33 and name HN )) (( segid " " and resid 33 and name HD2 )) 4.700 2.800 1.300 peak 934 spectrum 1 weight 0.10000E+01 volume 0.51690E-03 ppm1 7.484 ppm2 1.563 CV 1 OR { 934} (( segid " " and resid 33 and name HN )) (( segid " " and resid 33 and name HD3 )) ASSI { 935} (( segid " " and resid 36 and name HN )) (( segid " " and resid 37 and name HN )) 2.700 0.900 0.900 peak 935 spectrum 1 weight 0.10000E+01 volume 0.26914E-02 ppm1 8.323 ppm2 7.100 CV 1 ASSI { 936} (( segid " " and resid 36 and name HN )) (( segid " " and resid 35 and name HA )) 2.600 0.800 0.800 peak 936 spectrum 1 weight 0.10000E+01 volume 0.51144E-02 ppm1 8.323 ppm2 4.669 CV 1 ASSI { 937} (( segid " " and resid 36 and name HN )) (( segid " " and resid 35 and name HG3 )) 3.200 3.200 2.800 peak 937 spectrum 1 weight 0.10000E+01 volume 0.44897E-03 ppm1 8.324 ppm2 2.168 CV 1 ASSI { 938} (( segid " " and resid 36 and name HN )) (( segid " " and resid 35 and name HB3 )) 3.300 1.400 1.400 peak 938 spectrum 1 weight 0.10000E+01 volume 0.13924E-02 ppm1 8.324 ppm2 1.955 CV 1 OR { 938} (( segid " " and resid 36 and name HN )) (( segid " " and resid 35 and name HB2 )) ASSI { 943} (( segid " " and resid 37 and name HN )) (( segid " " and resid 36 and name HA1 )) 4.100 2.100 1.900 peak 943 spectrum 1 weight 0.10000E+01 volume 0.89671E-03 ppm1 7.108 ppm2 4.185 CV 1 ASSI { 944} (( segid " " and resid 37 and name HN )) (( segid " " and resid 36 and name HA2 )) 2.900 1.000 1.000 peak 944 spectrum 1 weight 0.10000E+01 volume 0.10424E-02 ppm1 7.108 ppm2 3.655 CV 1 ASSI { 946} (( segid " " and resid 37 and name HN )) ( segid " " and resid 34 and name HG2%) 2.600 0.900 0.900 peak 946 spectrum 1 weight 0.10000E+01 volume 0.26460E-02 ppm1 7.107 ppm2 0.719 CV 1 OR { 946} (( segid " " and resid 37 and name HN )) ( segid " " and resid 34 and name HD1%) ASSI { 948} (( segid " " and resid 38 and name HN )) (( segid " " and resid 37 and name HN )) 4.000 2.000 2.000 peak 948 spectrum 1 weight 0.10000E+01 volume 0.59888E-03 ppm1 6.831 ppm2 7.103 CV 1 ASSI { 949} (( segid " " and resid 38 and name HN )) (( segid " " and resid 41 and name HZ )) 4.900 3.000 1.100 peak 949 spectrum 1 weight 0.10000E+01 volume 0.55859E-03 ppm1 6.831 ppm2 7.250 CV 1 ASSI { 950} (( segid " " and resid 38 and name HN )) ( segid " " and resid 41 and name HE% ) 2.500 0.800 0.800 peak 950 spectrum 1 weight 0.10000E+01 volume 0.34804E-02 ppm1 6.831 ppm2 7.356 CV 1 ASSI { 951} (( segid " " and resid 38 and name HN )) ( segid " " and resid 41 and name HD% ) 2.100 0.600 0.600 peak 951 spectrum 1 weight 0.10000E+01 volume 0.60674E-02 ppm1 6.831 ppm2 7.502 CV 1 ASSI { 952} (( segid " " and resid 38 and name HN )) (( segid " " and resid 40 and name HN )) 4.000 2.000 2.000 peak 952 spectrum 1 weight 0.10000E+01 volume 0.43321E-03 ppm1 6.831 ppm2 8.357 CV 1 ASSI { 953} (( segid " " and resid 38 and name HN )) (( segid " " and resid 37 and name HA )) 2.000 0.500 0.500 peak 953 spectrum 1 weight 0.10000E+01 volume 0.88273E-02 ppm1 6.831 ppm2 4.261 CV 1 ASSI { 957} (( segid " " and resid 38 and name HN )) ( segid " " and resid 37 and name HD1%) 3.900 1.900 1.900 peak 957 spectrum 1 weight 0.10000E+01 volume 0.22442E-02 ppm1 6.831 ppm2 0.243 CV 1 OR { 957} (( segid " " and resid 38 and name HN )) ( segid " " and resid 37 and name HD2%) ASSI { 960} (( segid " " and resid 39 and name HN )) (( segid " " and resid 38 and name HA )) 2.300 0.700 0.700 peak 960 spectrum 1 weight 0.10000E+01 volume 0.65334E-02 ppm1 8.661 ppm2 4.839 CV 1 ASSI { 961} (( segid " " and resid 39 and name HN )) (( segid " " and resid 40 and name HG2 )) 5.400 3.600 0.600 peak 961 spectrum 1 weight 0.10000E+01 volume 0.43388E-03 ppm1 8.661 ppm2 2.339 CV 1 ASSI { 962} (( segid " " and resid 39 and name HN )) (( segid " " and resid 61 and name HB2 )) 3.700 1.700 1.700 peak 962 spectrum 1 weight 0.10000E+01 volume 0.97322E-03 ppm1 8.661 ppm2 2.064 CV 1 ASSI { 964} (( segid " " and resid 39 and name HN )) (( segid " " and resid 61 and name HG2 )) 5.200 3.300 0.800 peak 964 spectrum 1 weight 0.10000E+01 volume 0.49502E-03 ppm1 8.661 ppm2 1.543 CV 1 ASSI { 966} (( segid " " and resid 39 and name HN )) (( segid " " and resid 40 and name HN )) 2.800 1.000 1.000 peak 966 spectrum 1 weight 0.10000E+01 volume 0.18864E-02 ppm1 8.660 ppm2 8.366 CV 1 ASSI { 967} (( segid " " and resid 39 and name HN )) (( segid " " and resid 38 and name HN )) 4.400 2.400 1.600 peak 967 spectrum 1 weight 0.10000E+01 volume 0.41439E-03 ppm1 8.660 ppm2 6.825 CV 1 ASSI { 969} (( segid " " and resid 40 and name HN )) (( segid " " and resid 41 and name HN )) 2.600 0.800 0.800 peak 969 spectrum 1 weight 0.10000E+01 volume 0.26941E-02 ppm1 8.365 ppm2 7.542 CV 1 ASSI { 970} (( segid " " and resid 40 and name HN )) (( segid " " and resid 39 and name HA )) 3.100 1.200 1.200 peak 970 spectrum 1 weight 0.10000E+01 volume 0.18330E-02 ppm1 8.365 ppm2 4.640 CV 1 ASSI { 972} (( segid " " and resid 40 and name HN )) (( segid " " and resid 38 and name HA )) 3.900 1.900 1.900 peak 972 spectrum 1 weight 0.10000E+01 volume 0.11258E-02 ppm1 8.365 ppm2 4.845 CV 1 ASSI { 975} (( segid " " and resid 40 and name HN )) (( segid " " and resid 39 and name HB3 )) 3.600 1.700 1.700 peak 975 spectrum 1 weight 0.10000E+01 volume 0.10339E-02 ppm1 8.365 ppm2 2.929 CV 1 OR { 975} (( segid " " and resid 40 and name HN )) (( segid " " and resid 39 and name HB2 )) ASSI { 976} (( segid " " and resid 41 and name HN )) ( segid " " and resid 41 and name HE% ) 5.000 3.200 1.000 peak 976 spectrum 1 weight 0.10000E+01 volume 0.63064E-03 ppm1 7.549 ppm2 7.351 CV 1 ASSI { 979} (( segid " " and resid 41 and name HN )) (( segid " " and resid 40 and name HA )) 3.300 1.400 1.400 peak 979 spectrum 1 weight 0.10000E+01 volume 0.12511E-02 ppm1 7.550 ppm2 4.218 CV 1 ASSI { 980} (( segid " " and resid 41 and name HN )) (( segid " " and resid 39 and name HA )) 3.400 1.500 1.500 peak 980 spectrum 1 weight 0.10000E+01 volume 0.82877E-03 ppm1 7.550 ppm2 4.629 CV 1 ASSI { 985} (( segid " " and resid 41 and name HN )) (( segid " " and resid 40 and name HB3 )) 3.800 1.800 1.800 peak 985 spectrum 1 weight 0.10000E+01 volume 0.80446E-03 ppm1 7.550 ppm2 1.663 CV 1 ASSI { 987} (( segid " " and resid 41 and name HN )) ( segid " " and resid 44 and name HD1%) 6.000 5.000 0.000 peak 987 spectrum 1 weight 0.10000E+01 volume 0.44776E-03 ppm1 7.550 ppm2 0.818 CV 1 OR { 987} (( segid " " and resid 41 and name HN )) ( segid " " and resid 44 and name HD2%) ASSI { 988} (( segid " " and resid 42 and name HN )) (( segid " " and resid 41 and name HN )) 3.600 1.600 1.600 peak 988 spectrum 1 weight 0.10000E+01 volume 0.10083E-02 ppm1 7.717 ppm2 7.541 CV 1 ASSI { 989} (( segid " " and resid 42 and name HN )) (( segid " " and resid 44 and name HN )) 4.400 2.400 1.600 peak 989 spectrum 1 weight 0.10000E+01 volume 0.52427E-03 ppm1 7.717 ppm2 6.892 CV 1 ASSI { 990} (( segid " " and resid 42 and name HN )) (( segid " " and resid 43 and name HN )) 2.800 1.000 1.000 peak 990 spectrum 1 weight 0.10000E+01 volume 0.19104E-02 ppm1 7.717 ppm2 8.487 CV 1 ASSI { 991} (( segid " " and resid 42 and name HN )) (( segid " " and resid 17 and name HN )) 3.700 1.700 1.700 peak 991 spectrum 1 weight 0.10000E+01 volume 0.11807E-02 ppm1 7.717 ppm2 7.819 CV 1 ASSI { 992} (( segid " " and resid 42 and name HN )) (( segid " " and resid 43 and name HB3 )) 4.700 2.700 1.300 peak 992 spectrum 1 weight 0.10000E+01 volume 0.46713E-03 ppm1 7.718 ppm2 1.682 CV 1 ASSI { 993} (( segid " " and resid 42 and name HN )) ( segid " " and resid 63 and name HD2%) 4.400 2.400 1.600 peak 993 spectrum 1 weight 0.10000E+01 volume 0.47447E-03 ppm1 7.718 ppm2 0.965 CV 1 ASSI { 994} (( segid " " and resid 42 and name HN )) (( segid " " and resid 41 and name HA )) 2.300 0.700 0.700 peak 994 spectrum 1 weight 0.10000E+01 volume 0.49289E-02 ppm1 7.718 ppm2 4.336 CV 1 ASSI { 996} (( segid " " and resid 42 and name HN )) (( segid " " and resid 17 and name HA )) 3.000 1.200 1.200 peak 996 spectrum 1 weight 0.10000E+01 volume 0.15900E-02 ppm1 7.718 ppm2 4.101 CV 1 ASSI { 997} (( segid " " and resid 42 and name HN )) (( segid " " and resid 17 and name HB2 )) 4.400 2.500 1.600 peak 997 spectrum 1 weight 0.10000E+01 volume 0.56711E-03 ppm1 7.718 ppm2 3.994 CV 1 OR { 997} (( segid " " and resid 42 and name HN )) (( segid " " and resid 17 and name HB3 )) ASSI { 998} (( segid " " and resid 42 and name HN )) (( segid " " and resid 41 and name HB2 )) 4.700 2.800 1.300 peak 998 spectrum 1 weight 0.10000E+01 volume 0.44296E-03 ppm1 7.718 ppm2 3.277 CV 1 ASSI { 999} (( segid " " and resid 42 and name HN )) (( segid " " and resid 41 and name HB3 )) 4.500 2.500 1.500 peak 999 spectrum 1 weight 0.10000E+01 volume 0.48234E-03 ppm1 7.718 ppm2 2.966 CV 1 ASSI { 1001} (( segid " " and resid 43 and name HN )) (( segid " " and resid 44 and name HN )) 2.700 0.900 0.900 peak 1001 spectrum 1 weight 0.10000E+01 volume 0.33643E-02 ppm1 8.490 ppm2 6.907 CV 1 ASSI { 1003} (( segid " " and resid 43 and name HN )) (( segid " " and resid 20 and name HA )) 4.200 2.200 1.800 peak 1003 spectrum 1 weight 0.10000E+01 volume 0.45137E-03 ppm1 8.489 ppm2 4.895 CV 1 ASSI { 1004} (( segid " " and resid 43 and name HN )) (( segid " " and resid 41 and name HA )) 4.000 2.000 2.000 peak 1004 spectrum 1 weight 0.10000E+01 volume 0.71557E-03 ppm1 8.489 ppm2 4.338 CV 1 ASSI { 1005} (( segid " " and resid 43 and name HN )) (( segid " " and resid 42 and name HA )) 3.700 1.700 1.700 peak 1005 spectrum 1 weight 0.10000E+01 volume 0.88955E-03 ppm1 8.489 ppm2 4.211 CV 1 ASSI { 1006} (( segid " " and resid 43 and name HN )) (( segid " " and resid 17 and name HA )) 3.300 1.400 1.400 peak 1006 spectrum 1 weight 0.10000E+01 volume 0.10460E-02 ppm1 8.489 ppm2 4.106 CV 1 ASSI { 1008} (( segid " " and resid 43 and name HN )) (( segid " " and resid 42 and name HB3 )) 4.200 2.200 1.800 peak 1008 spectrum 1 weight 0.10000E+01 volume 0.82997E-03 ppm1 8.490 ppm2 2.000 CV 1 ASSI { 1009} (( segid " " and resid 43 and name HN )) (( segid " " and resid 42 and name HG2 )) 4.500 2.600 1.500 peak 1009 spectrum 1 weight 0.10000E+01 volume 0.57057E-03 ppm1 8.490 ppm2 2.304 CV 1 ASSI { 1013} (( segid " " and resid 44 and name HN )) ( segid " " and resid 41 and name HD% ) 5.000 3.100 1.000 peak 1013 spectrum 1 weight 0.10000E+01 volume 0.54401E-03 ppm1 6.908 ppm2 7.496 CV 1 ASSI { 1014} (( segid " " and resid 44 and name HN )) (( segid " " and resid 45 and name HN )) 4.400 2.400 1.600 peak 1014 spectrum 1 weight 0.10000E+01 volume 0.55428E-03 ppm1 6.908 ppm2 9.248 CV 1 ASSI { 1015} (( segid " " and resid 44 and name HN )) (( segid " " and resid 42 and name HA )) 3.700 1.700 1.700 peak 1015 spectrum 1 weight 0.10000E+01 volume 0.63064E-03 ppm1 6.908 ppm2 4.208 CV 1 ASSI { 1016} (( segid " " and resid 44 and name HN )) (( segid " " and resid 43 and name HA )) 3.100 1.200 1.200 peak 1016 spectrum 1 weight 0.10000E+01 volume 0.12888E-02 ppm1 6.908 ppm2 4.567 CV 1 ASSI { 1018} (( segid " " and resid 44 and name HN )) (( segid " " and resid 20 and name HA )) 3.900 1.900 1.900 peak 1018 spectrum 1 weight 0.10000E+01 volume 0.87737E-03 ppm1 6.908 ppm2 4.871 CV 1 ASSI { 1019} (( segid " " and resid 44 and name HN )) (( segid " " and resid 41 and name HA )) 4.400 2.400 1.600 peak 1019 spectrum 1 weight 0.10000E+01 volume 0.55002E-03 ppm1 6.908 ppm2 4.346 CV 1 ASSI { 1020} (( segid " " and resid 44 and name HN )) (( segid " " and resid 41 and name HB2 )) 4.800 2.900 1.200 peak 1020 spectrum 1 weight 0.10000E+01 volume 0.88579E-03 ppm1 6.908 ppm2 3.284 CV 1 ASSI { 1023} (( segid " " and resid 44 and name HN )) (( segid " " and resid 43 and name HB3 )) 4.100 2.100 1.900 peak 1023 spectrum 1 weight 0.10000E+01 volume 0.10436E-02 ppm1 6.908 ppm2 1.683 CV 1 ASSI { 1025} (( segid " " and resid 44 and name HN )) ( segid " " and resid 63 and name HD2%) 4.100 2.100 1.900 peak 1025 spectrum 1 weight 0.10000E+01 volume 0.80326E-03 ppm1 6.908 ppm2 0.969 CV 1 ASSI { 1026} (( segid " " and resid 44 and name HN )) ( segid " " and resid 44 and name HD1%) 4.100 2.100 1.900 peak 1026 spectrum 1 weight 0.10000E+01 volume 0.13470E-02 ppm1 6.908 ppm2 0.835 CV 1 ASSI { 1027} (( segid " " and resid 45 and name HN )) (( segid " " and resid 21 and name HA )) 4.100 2.100 1.900 peak 1027 spectrum 1 weight 0.10000E+01 volume 0.46713E-03 ppm1 9.237 ppm2 5.462 CV 1 ASSI { 1028} (( segid " " and resid 45 and name HN )) (( segid " " and resid 20 and name HA )) 2.900 1.000 1.000 peak 1028 spectrum 1 weight 0.10000E+01 volume 0.20973E-02 ppm1 9.237 ppm2 4.895 CV 1 ASSI { 1029} (( segid " " and resid 45 and name HN )) (( segid " " and resid 44 and name HA )) 2.300 0.600 0.600 peak 1029 spectrum 1 weight 0.10000E+01 volume 0.43041E-02 ppm1 9.237 ppm2 4.113 CV 1 ASSI { 1030} (( segid " " and resid 45 and name HN )) (( segid " " and resid 21 and name HB3 )) 3.800 1.800 1.800 peak 1030 spectrum 1 weight 0.10000E+01 volume 0.75361E-03 ppm1 9.237 ppm2 2.076 CV 1 ASSI { 1031} (( segid " " and resid 45 and name HN )) (( segid " " and resid 44 and name HB2 )) 4.500 2.600 1.500 peak 1031 spectrum 1 weight 0.10000E+01 volume 0.52051E-03 ppm1 9.237 ppm2 1.938 CV 1 ASSI { 1036} (( segid " " and resid 46 and name HN )) (( segid " " and resid 45 and name HN )) 2.400 0.700 0.700 peak 1036 spectrum 1 weight 0.10000E+01 volume 0.40584E-02 ppm1 7.737 ppm2 9.234 CV 1 ASSI { 1038} (( segid " " and resid 46 and name HN )) (( segid " " and resid 47 and name HN )) 4.400 2.400 1.600 peak 1038 spectrum 1 weight 0.10000E+01 volume 0.65725E-03 ppm1 7.737 ppm2 7.932 CV 1 ASSI { 1039} (( segid " " and resid 46 and name HN )) ( segid " " and resid 46 and name HD% ) 5.100 3.300 0.900 peak 1039 spectrum 1 weight 0.10000E+01 volume 0.40839E-03 ppm1 7.737 ppm2 7.185 CV 1 ASSI { 1041} (( segid " " and resid 46 and name HN )) (( segid " " and resid 21 and name HA )) 2.800 0.900 0.900 peak 1041 spectrum 1 weight 0.10000E+01 volume 0.27248E-02 ppm1 7.737 ppm2 5.468 CV 1 ASSI { 1042} (( segid " " and resid 46 and name HN )) (( segid " " and resid 45 and name HA )) 3.700 1.700 1.700 peak 1042 spectrum 1 weight 0.10000E+01 volume 0.81183E-03 ppm1 7.737 ppm2 5.121 CV 1 ASSI { 1043} (( segid " " and resid 46 and name HN )) (( segid " " and resid 20 and name HA )) 4.100 2.100 1.900 peak 1043 spectrum 1 weight 0.10000E+01 volume 0.77420E-03 ppm1 7.737 ppm2 4.891 CV 1 ASSI { 1044} (( segid " " and resid 46 and name HN )) (( segid " " and resid 44 and name HA )) 3.900 1.900 1.900 peak 1044 spectrum 1 weight 0.10000E+01 volume 0.16995E-02 ppm1 7.737 ppm2 4.114 CV 1 ASSI { 1045} (( segid " " and resid 46 and name HN )) (( segid " " and resid 45 and name HG2 )) 5.200 3.400 0.800 peak 1045 spectrum 1 weight 0.10000E+01 volume 0.46232E-03 ppm1 7.737 ppm2 2.635 CV 1 ASSI { 1047} (( segid " " and resid 46 and name HN )) (( segid " " and resid 45 and name HB2 )) 3.000 1.100 1.100 peak 1047 spectrum 1 weight 0.10000E+01 volume 0.25499E-02 ppm1 7.737 ppm2 2.191 CV 1 OR { 1047} (( segid " " and resid 46 and name HN )) (( segid " " and resid 45 and name HB3 )) ASSI { 1048} (( segid " " and resid 46 and name HN )) (( segid " " and resid 21 and name HB3 )) 4.100 2.100 1.900 peak 1048 spectrum 1 weight 0.10000E+01 volume 0.74870E-03 ppm1 7.737 ppm2 2.076 CV 1 ASSI { 1049} (( segid " " and resid 46 and name HN )) (( segid " " and resid 68 and name HB2 )) 4.000 2.000 2.000 peak 1049 spectrum 1 weight 0.10000E+01 volume 0.50718E-03 ppm1 7.737 ppm2 1.927 CV 1 ASSI { 1053} (( segid " " and resid 47 and name HN )) (( segid " " and resid 48 and name HN )) 4.400 2.400 1.600 peak 1053 spectrum 1 weight 0.10000E+01 volume 0.55684E-03 ppm1 7.941 ppm2 8.284 CV 1 ASSI { 1055} (( segid " " and resid 47 and name HN )) ( segid " " and resid 46 and name HD% ) 3.100 1.200 1.200 peak 1055 spectrum 1 weight 0.10000E+01 volume 0.26327E-02 ppm1 7.941 ppm2 7.196 CV 1 OR { 1055} (( segid " " and resid 47 and name HN )) ( segid " " and resid 46 and name HE% ) ASSI { 1056} (( segid " " and resid 47 and name HN )) (( segid " " and resid 69 and name HA )) 3.100 1.200 1.200 peak 1056 spectrum 1 weight 0.10000E+01 volume 0.11446E-02 ppm1 7.941 ppm2 5.415 CV 1 ASSI { 1057} (( segid " " and resid 47 and name HN )) (( segid " " and resid 46 and name HA )) 2.300 0.600 0.600 peak 1057 spectrum 1 weight 0.10000E+01 volume 0.53614E-02 ppm1 7.941 ppm2 5.817 CV 1 ASSI { 1059} (( segid " " and resid 47 and name HN )) ( segid " " and resid 66 and name HD1%) 4.300 2.300 1.700 peak 1059 spectrum 1 weight 0.10000E+01 volume 0.78392E-03 ppm1 7.942 ppm2 1.043 CV 1 ASSI { 1061} (( segid " " and resid 47 and name HN )) (( segid " " and resid 68 and name HB2 )) 3.600 1.700 1.700 peak 1061 spectrum 1 weight 0.10000E+01 volume 0.57913E-03 ppm1 7.942 ppm2 1.906 CV 1 ASSI { 1062} (( segid " " and resid 47 and name HN )) (( segid " " and resid 46 and name HB3 )) 4.900 3.000 1.100 peak 1062 spectrum 1 weight 0.10000E+01 volume 0.43749E-03 ppm1 7.942 ppm2 2.892 CV 1 ASSI { 1063} (( segid " " and resid 47 and name HN )) (( segid " " and resid 46 and name HB2 )) 4.600 2.600 1.400 peak 1063 spectrum 1 weight 0.10000E+01 volume 0.85066E-03 ppm1 7.942 ppm2 3.261 CV 1 ASSI { 1064} (( segid " " and resid 48 and name HN )) (( segid " " and resid 24 and name HN )) 4.400 2.400 1.600 peak 1064 spectrum 1 weight 0.10000E+01 volume 0.60158E-03 ppm1 8.271 ppm2 8.942 CV 1 ASSI { 1065} (( segid " " and resid 17 and name HN )) (( segid " " and resid 19 and name HN )) 4.300 2.300 1.700 peak 1065 spectrum 1 weight 0.10000E+01 volume 0.57833E-03 ppm1 7.813 ppm2 7.220 CV 1 ASSI { 1066} (( segid " " and resid 17 and name HN )) (( segid " " and resid 15 and name HB )) 2.900 1.000 1.000 peak 1066 spectrum 1 weight 0.10000E+01 volume 0.17916E-02 ppm1 7.813 ppm2 4.281 CV 1 ASSI { 1068} (( segid " " and resid 17 and name HN )) (( segid " " and resid 16 and name HD2 )) 3.300 1.400 1.400 peak 1068 spectrum 1 weight 0.10000E+01 volume 0.92582E-03 ppm1 7.813 ppm2 3.833 CV 1 ASSI { 1069} (( segid " " and resid 17 and name HN )) (( segid " " and resid 16 and name HD3 )) 3.900 1.900 1.900 peak 1069 spectrum 1 weight 0.10000E+01 volume 0.14325E-02 ppm1 7.813 ppm2 3.708 CV 1 ASSI { 1070} (( segid " " and resid 17 and name HN )) (( segid " " and resid 16 and name HA )) 3.500 1.500 1.500 peak 1070 spectrum 1 weight 0.10000E+01 volume 0.10880E-02 ppm1 7.813 ppm2 3.459 CV 1 ASSI { 1071} (( segid " " and resid 17 and name HN )) (( segid " " and resid 40 and name HB2 )) 5.400 3.600 0.600 peak 1071 spectrum 1 weight 0.10000E+01 volume 0.48835E-03 ppm1 7.813 ppm2 1.957 CV 1 ASSI { 1072} (( segid " " and resid 17 and name HN )) (( segid " " and resid 16 and name HG2 )) 4.200 2.200 1.800 peak 1072 spectrum 1 weight 0.10000E+01 volume 0.84335E-03 ppm1 7.813 ppm2 1.843 CV 1 ASSI { 1073} (( segid " " and resid 17 and name HN )) (( segid " " and resid 16 and name HG3 )) 5.100 3.200 0.900 peak 1073 spectrum 1 weight 0.10000E+01 volume 0.52547E-03 ppm1 7.813 ppm2 1.483 CV 1 ASSI { 1075} (( segid " " and resid 17 and name HN )) (( segid " " and resid 16 and name HB2 )) 2.500 0.800 0.800 peak 1075 spectrum 1 weight 0.10000E+01 volume 0.22655E-02 ppm1 7.813 ppm2 1.095 CV 1 ASSI { 1078} (( segid " " and resid 18 and name HN )) (( segid " " and resid 19 and name HN )) 2.500 0.800 0.800 peak 1078 spectrum 1 weight 0.10000E+01 volume 0.51480E-02 ppm1 7.863 ppm2 7.230 CV 1 ASSI { 1080} (( segid " " and resid 18 and name HN )) (( segid " " and resid 15 and name HN )) 3.800 1.800 1.800 peak 1080 spectrum 1 weight 0.10000E+01 volume 0.71557E-03 ppm1 7.863 ppm2 8.516 CV 1 ASSI { 1081} (( segid " " and resid 18 and name HN )) (( segid " " and resid 15 and name HB )) 3.900 1.900 1.900 peak 1081 spectrum 1 weight 0.10000E+01 volume 0.66923E-03 ppm1 7.863 ppm2 4.288 CV 1 ASSI { 1082} (( segid " " and resid 18 and name HN )) (( segid " " and resid 17 and name HA )) 3.400 1.500 1.500 peak 1082 spectrum 1 weight 0.10000E+01 volume 0.12047E-02 ppm1 7.863 ppm2 4.100 CV 1 ASSI { 1083} (( segid " " and resid 18 and name HN )) (( segid " " and resid 17 and name HB3 )) 3.600 1.600 1.600 peak 1083 spectrum 1 weight 0.10000E+01 volume 0.10557E-02 ppm1 7.863 ppm2 3.994 CV 1 OR { 1083} (( segid " " and resid 18 and name HN )) (( segid " " and resid 17 and name HB2 )) ASSI { 1085} (( segid " " and resid 18 and name HN )) (( segid " " and resid 16 and name HA )) 3.800 1.900 1.900 peak 1085 spectrum 1 weight 0.10000E+01 volume 0.61611E-03 ppm1 7.863 ppm2 3.454 CV 1 ASSI { 1086} (( segid " " and resid 18 and name HN )) (( segid " " and resid 19 and name HB )) 4.300 2.300 1.700 peak 1086 spectrum 1 weight 0.10000E+01 volume 0.86404E-03 ppm1 7.863 ppm2 2.302 CV 1 ASSI { 1088} (( segid " " and resid 18 and name HN )) (( segid " " and resid 14 and name HB3 )) 4.900 3.000 1.100 peak 1088 spectrum 1 weight 0.10000E+01 volume 0.39250E-03 ppm1 7.863 ppm2 1.837 CV 1 ASSI { 1090} (( segid " " and resid 18 and name HN )) ( segid " " and resid 15 and name HG2%) 2.700 2.700 3.300 peak 1090 spectrum 1 weight 0.10000E+01 volume 0.14472E-02 ppm1 7.863 ppm2 1.223 CV 1 ASSI { 1091} (( segid " " and resid 18 and name HN )) ( segid " " and resid 19 and name HG2%) 3.300 1.400 1.400 peak 1091 spectrum 1 weight 0.10000E+01 volume 0.20266E-02 ppm1 7.863 ppm2 0.966 CV 1 OR { 1091} (( segid " " and resid 18 and name HN )) ( segid " " and resid 19 and name HG1%) ASSI { 1092} (( segid " " and resid 131 and name HN )) (( segid " " and resid 132 and name HN )) 2.700 0.900 0.900 peak 1092 spectrum 1 weight 0.10000E+01 volume 0.22001E-02 ppm1 7.249 ppm2 8.208 CV 1 ASSI { 1093} (( segid " " and resid 131 and name HN )) (( segid " " and resid 130 and name HN )) 2.800 1.000 1.000 peak 1093 spectrum 1 weight 0.10000E+01 volume 0.26807E-02 ppm1 7.249 ppm2 8.976 CV 1 ASSI { 1095} (( segid " " and resid 19 and name HN )) ( segid " " and resid 41 and name HD% ) 4.200 2.200 1.800 peak 1095 spectrum 1 weight 0.10000E+01 volume 0.80086E-03 ppm1 7.238 ppm2 7.497 CV 1 ASSI { 1097} (( segid " " and resid 131 and name HN )) ( segid " " and resid 131 and name HE% ) 4.800 2.900 1.200 peak 1097 spectrum 1 weight 0.10000E+01 volume 0.73026E-03 ppm1 7.249 ppm2 6.772 CV 1 ASSI { 1099} (( segid " " and resid 19 and name HN )) (( segid " " and resid 18 and name HA )) 3.000 1.100 1.100 peak 1099 spectrum 1 weight 0.10000E+01 volume 0.27635E-02 ppm1 7.238 ppm2 4.732 CV 1 ASSI { 1100} (( segid " " and resid 19 and name HN )) (( segid " " and resid 16 and name HA )) 3.700 1.700 1.700 peak 1100 spectrum 1 weight 0.10000E+01 volume 0.91740E-03 ppm1 7.238 ppm2 3.457 CV 1 ASSI { 1101} (( segid " " and resid 19 and name HN )) (( segid " " and resid 18 and name HB2 )) 3.700 1.700 1.700 peak 1101 spectrum 1 weight 0.10000E+01 volume 0.10811E-02 ppm1 7.238 ppm2 2.836 CV 1 ASSI { 1103} (( segid " " and resid 19 and name HN )) ( segid " " and resid 11 and name HD2%) 4.600 2.600 1.400 peak 1103 spectrum 1 weight 0.10000E+01 volume 0.93920E-03 ppm1 7.238 ppm2 0.805 CV 1 ASSI { 1105} (( segid " " and resid 131 and name HN )) (( segid " " and resid 128 and name HB2 )) 3.600 1.600 1.600 peak 1105 spectrum 1 weight 0.10000E+01 volume 0.10388E-02 ppm1 7.249 ppm2 1.832 CV 1 ASSI { 1110} (( segid " " and resid 131 and name HN )) (( segid " " and resid 130 and name HA )) 2.500 0.800 0.800 peak 1110 spectrum 1 weight 0.10000E+01 volume 0.42360E-02 ppm1 7.249 ppm2 4.179 CV 1 ASSI { 1111} (( segid " " and resid 131 and name HN )) (( segid " " and resid 129 and name HA )) 3.900 1.900 1.900 peak 1111 spectrum 1 weight 0.10000E+01 volume 0.14846E-02 ppm1 7.249 ppm2 4.416 CV 1 ASSI { 1114} (( segid " " and resid 26 and name HN )) (( segid " " and resid 25 and name HN )) 4.700 2.800 1.300 peak 1114 spectrum 1 weight 0.10000E+01 volume 0.41252E-03 ppm1 8.760 ppm2 6.988 CV 1 ASSI { 1120} (( segid " " and resid 49 and name HN )) (( segid " " and resid 48 and name HA )) 2.300 0.700 0.700 peak 1120 spectrum 1 weight 0.10000E+01 volume 0.49356E-02 ppm1 9.084 ppm2 5.172 CV 1 ASSI { 1121} (( segid " " and resid 49 and name HN )) (( segid " " and resid 48 and name HB3 )) 3.000 1.100 1.100 peak 1121 spectrum 1 weight 0.10000E+01 volume 0.12957E-02 ppm1 9.084 ppm2 3.330 CV 1 ASSI { 1122} (( segid " " and resid 49 and name HN )) (( segid " " and resid 70 and name HB2 )) 3.000 1.100 1.100 peak 1122 spectrum 1 weight 0.10000E+01 volume 0.12648E-02 ppm1 9.084 ppm2 2.502 CV 1 ASSI { 1124} (( segid " " and resid 49 and name HN )) (( segid " " and resid 50 and name HG13)) 4.200 2.200 1.800 peak 1124 spectrum 1 weight 0.10000E+01 volume 0.44176E-03 ppm1 9.084 ppm2 1.634 CV 1 OR { 1124} (( segid " " and resid 49 and name HN )) (( segid " " and resid 50 and name HG12)) ASSI { 1125} (( segid " " and resid 49 and name HN )) ( segid " " and resid 49 and name HG2%) 3.100 1.200 1.200 peak 1125 spectrum 1 weight 0.10000E+01 volume 0.21721E-02 ppm1 9.084 ppm2 0.812 CV 1 ASSI { 1127} (( segid " " and resid 48 and name HN )) (( segid " " and resid 47 and name HA )) 2.400 0.700 0.700 peak 1127 spectrum 1 weight 0.10000E+01 volume 0.45644E-02 ppm1 8.271 ppm2 4.986 CV 1 ASSI { 1130} (( segid " " and resid 48 and name HN )) ( segid " " and resid 47 and name HD1%) 4.600 2.600 1.400 peak 1130 spectrum 1 weight 0.10000E+01 volume 0.45751E-03 ppm1 8.271 ppm2 0.524 CV 1 ASSI { 1134} (( segid " " and resid 48 and name HN )) (( segid " " and resid 47 and name HG )) 3.300 1.400 1.400 peak 1134 spectrum 1 weight 0.10000E+01 volume 0.10376E-02 ppm1 8.271 ppm2 1.160 CV 1 ASSI { 1136} (( segid " " and resid 48 and name HN )) ( segid " " and resid 23 and name HG2%) 3.100 1.200 1.200 peak 1136 spectrum 1 weight 0.10000E+01 volume 0.16140E-02 ppm1 8.271 ppm2 0.812 CV 1 ASSI { 1137} (( segid " " and resid 50 and name HN )) (( segid " " and resid 26 and name HN )) 4.500 2.500 1.500 peak 1137 spectrum 1 weight 0.10000E+01 volume 0.48047E-03 ppm1 8.261 ppm2 8.761 CV 1 ASSI { 1138} (( segid " " and resid 50 and name HN )) (( segid " " and resid 49 and name HN )) 3.400 1.400 1.400 peak 1138 spectrum 1 weight 0.10000E+01 volume 0.78152E-03 ppm1 8.261 ppm2 9.083 CV 1 ASSI { 1139} (( segid " " and resid 50 and name HN )) (( segid " " and resid 48 and name HA )) 4.900 3.000 1.100 peak 1139 spectrum 1 weight 0.10000E+01 volume 0.43014E-03 ppm1 8.261 ppm2 5.168 CV 1 ASSI { 1141} (( segid " " and resid 50 and name HN )) (( segid " " and resid 25 and name HA )) 2.900 1.100 1.100 peak 1141 spectrum 1 weight 0.10000E+01 volume 0.23202E-02 ppm1 8.261 ppm2 4.505 CV 1 ASSI { 1142} (( segid " " and resid 50 and name HN )) (( segid " " and resid 49 and name HB )) 4.600 2.700 1.400 peak 1142 spectrum 1 weight 0.10000E+01 volume 0.47326E-03 ppm1 8.261 ppm2 4.079 CV 1 ASSI { 1143} (( segid " " and resid 50 and name HN )) ( segid " " and resid 50 and name HD1%) 3.400 1.500 1.500 peak 1143 spectrum 1 weight 0.10000E+01 volume 0.30292E-02 ppm1 8.261 ppm2 0.743 CV 1 OR { 1143} (( segid " " and resid 50 and name HN )) ( segid " " and resid 50 and name HG2%) ASSI { 1147} (( segid " " and resid 51 and name HN )) (( segid " " and resid 74 and name HD21)) 3.800 1.800 1.800 peak 1147 spectrum 1 weight 0.10000E+01 volume 0.10811E-02 ppm1 8.171 ppm2 7.858 CV 1 ASSI { 1148} (( segid " " and resid 51 and name HN )) (( segid " " and resid 74 and name HD22)) 3.600 1.600 1.600 peak 1148 spectrum 1 weight 0.10000E+01 volume 0.43255E-03 ppm1 8.171 ppm2 7.183 CV 1 ASSI { 1149} (( segid " " and resid 51 and name HN )) (( segid " " and resid 73 and name HB2 )) 2.800 0.900 0.900 peak 1149 spectrum 1 weight 0.10000E+01 volume 0.10327E-02 ppm1 8.171 ppm2 2.244 CV 1 ASSI { 1150} (( segid " " and resid 51 and name HN )) (( segid " " and resid 73 and name HB3 )) 4.100 2.100 1.900 peak 1150 spectrum 1 weight 0.10000E+01 volume 0.13059E-02 ppm1 8.171 ppm2 2.051 CV 1 ASSI { 1152} (( segid " " and resid 51 and name HN )) ( segid " " and resid 50 and name HD1%) 4.300 2.300 1.700 peak 1152 spectrum 1 weight 0.10000E+01 volume 0.10193E-02 ppm1 8.171 ppm2 0.783 CV 1 ASSI { 1153} (( segid " " and resid 54 and name HN )) (( segid " " and resid 75 and name HN )) 3.000 1.100 1.100 peak 1153 spectrum 1 weight 0.10000E+01 volume 0.16060E-02 ppm1 8.569 ppm2 8.719 CV 1 ASSI { 1154} (( segid " " and resid 54 and name HN )) (( segid " " and resid 74 and name HD21)) 4.700 2.700 1.300 peak 1154 spectrum 1 weight 0.10000E+01 volume 0.47207E-03 ppm1 8.569 ppm2 7.887 CV 1 ASSI { 1155} (( segid " " and resid 54 and name HN )) (( segid " " and resid 74 and name HA )) 3.600 1.600 1.600 peak 1155 spectrum 1 weight 0.10000E+01 volume 0.77179E-03 ppm1 8.570 ppm2 5.134 CV 1 ASSI { 1156} (( segid " " and resid 54 and name HN )) (( segid " " and resid 53 and name HA2 )) 4.400 2.400 1.600 peak 1156 spectrum 1 weight 0.10000E+01 volume 0.92462E-03 ppm1 8.570 ppm2 3.731 CV 1 ASSI { 1157} (( segid " " and resid 54 and name HN )) (( segid " " and resid 74 and name HB3 )) 3.100 1.200 1.200 peak 1157 spectrum 1 weight 0.10000E+01 volume 0.16087E-02 ppm1 8.570 ppm2 3.198 CV 1 OR { 1157} (( segid " " and resid 54 and name HN )) (( segid " " and resid 74 and name HB2 )) ASSI { 1158} (( segid " " and resid 54 and name HN )) (( segid " " and resid 54 and name HG )) 3.000 1.100 1.100 peak 1158 spectrum 1 weight 0.10000E+01 volume 0.19825E-02 ppm1 8.570 ppm2 1.578 CV 1 ASSI { 1160} (( segid " " and resid 54 and name HN )) ( segid " " and resid 54 and name HD2%) 4.300 2.300 1.700 peak 1160 spectrum 1 weight 0.10000E+01 volume 0.10205E-02 ppm1 8.570 ppm2 0.663 CV 1 ASSI { 1161} (( segid " " and resid 55 and name HN )) (( segid " " and resid 54 and name HA )) 2.400 0.700 0.700 peak 1161 spectrum 1 weight 0.10000E+01 volume 0.35098E-02 ppm1 10.124 ppm2 4.073 CV 1 ASSI { 1162} (( segid " " and resid 55 and name HN )) (( segid " " and resid 55 and name HB )) 3.200 1.300 1.300 peak 1162 spectrum 1 weight 0.10000E+01 volume 0.12957E-02 ppm1 10.124 ppm2 4.430 CV 1 ASSI { 1163} (( segid " " and resid 55 and name HN )) (( segid " " and resid 54 and name HB2 )) 3.800 1.800 1.800 peak 1163 spectrum 1 weight 0.10000E+01 volume 0.90889E-03 ppm1 10.124 ppm2 1.316 CV 1 OR { 1163} (( segid " " and resid 55 and name HN )) (( segid " " and resid 54 and name HB3 )) ASSI { 1168} (( segid " " and resid 51 and name HN )) (( segid " " and resid 50 and name HA )) 2.300 0.700 0.700 peak 1168 spectrum 1 weight 0.10000E+01 volume 0.33736E-02 ppm1 8.171 ppm2 4.263 CV 1 ASSI { 1171} (( segid " " and resid 57 and name HN )) (( segid " " and resid 56 and name HA )) 2.700 0.900 0.900 peak 1171 spectrum 1 weight 0.10000E+01 volume 0.20119E-02 ppm1 8.830 ppm2 4.881 CV 1 ASSI { 1180} (( segid " " and resid 58 and name HN )) (( segid " " and resid 57 and name HN )) 2.600 0.800 0.800 peak 1180 spectrum 1 weight 0.10000E+01 volume 0.38729E-02 ppm1 8.520 ppm2 8.829 CV 1 ASSI { 1181} (( segid " " and resid 58 and name HN )) (( segid " " and resid 59 and name HN )) 3.100 1.200 1.200 peak 1181 spectrum 1 weight 0.10000E+01 volume 0.15660E-02 ppm1 8.520 ppm2 8.041 CV 1 ASSI { 1183} (( segid " " and resid 58 and name HN )) (( segid " " and resid 57 and name HA )) 2.800 1.000 1.000 peak 1183 spectrum 1 weight 0.10000E+01 volume 0.25539E-02 ppm1 8.520 ppm2 4.749 CV 1 ASSI { 1184} (( segid " " and resid 58 and name HN )) (( segid " " and resid 56 and name HB3 )) 3.700 1.700 1.700 peak 1184 spectrum 1 weight 0.10000E+01 volume 0.70781E-03 ppm1 8.520 ppm2 3.401 CV 1 ASSI { 1186} (( segid " " and resid 58 and name HN )) (( segid " " and resid 57 and name HG12)) 4.000 2.000 2.000 peak 1186 spectrum 1 weight 0.10000E+01 volume 0.10278E-02 ppm1 8.520 ppm2 1.332 CV 1 ASSI { 1188} (( segid " " and resid 58 and name HN )) ( segid " " and resid 82 and name HG2%) 4.500 2.500 1.500 peak 1188 spectrum 1 weight 0.10000E+01 volume 0.72850E-03 ppm1 8.520 ppm2 0.972 CV 1 ASSI { 1189} (( segid " " and resid 58 and name HN )) ( segid " " and resid 57 and name HG2%) 4.700 2.700 1.300 peak 1189 spectrum 1 weight 0.10000E+01 volume 0.77781E-03 ppm1 8.520 ppm2 0.871 CV 1 ASSI { 1192} (( segid " " and resid 59 and name HN )) (( segid " " and resid 60 and name HN )) 2.900 1.100 1.100 peak 1192 spectrum 1 weight 0.10000E+01 volume 0.25058E-02 ppm1 8.045 ppm2 7.286 CV 1 ASSI { 1193} (( segid " " and resid 59 and name HN )) (( segid " " and resid 58 and name HA )) 3.400 1.500 1.500 peak 1193 spectrum 1 weight 0.10000E+01 volume 0.10606E-02 ppm1 8.045 ppm2 4.058 CV 1 ASSI { 1196} (( segid " " and resid 59 and name HN )) (( segid " " and resid 60 and name HB3 )) 4.100 2.100 1.900 peak 1196 spectrum 1 weight 0.10000E+01 volume 0.93559E-03 ppm1 8.045 ppm2 1.544 CV 1 OR { 1196} (( segid " " and resid 59 and name HN )) (( segid " " and resid 60 and name HB2 )) ASSI { 1201} (( segid " " and resid 60 and name HN )) (( segid " " and resid 61 and name HD2 )) 4.700 2.800 1.300 peak 1201 spectrum 1 weight 0.10000E+01 volume 0.71653E-03 ppm1 7.286 ppm2 3.532 CV 1 ASSI { 1202} (( segid " " and resid 60 and name HN )) (( segid " " and resid 61 and name HD3 )) 4.700 2.800 1.300 peak 1202 spectrum 1 weight 0.10000E+01 volume 0.53800E-03 ppm1 7.286 ppm2 3.210 CV 1 ASSI { 1205} (( segid " " and resid 60 and name HN )) (( segid " " and resid 57 and name HB )) 4.200 2.200 1.800 peak 1205 spectrum 1 weight 0.10000E+01 volume 0.59286E-03 ppm1 7.286 ppm2 2.311 CV 1 ASSI { 1207} (( segid " " and resid 60 and name HN )) (( segid " " and resid 60 and name HG )) 3.000 1.200 1.200 peak 1207 spectrum 1 weight 0.10000E+01 volume 0.21560E-02 ppm1 7.286 ppm2 1.969 CV 1 ASSI { 1208} (( segid " " and resid 60 and name HN )) ( segid " " and resid 82 and name HG1%) 3.700 1.700 1.700 peak 1208 spectrum 1 weight 0.10000E+01 volume 0.11086E-02 ppm1 7.286 ppm2 1.065 CV 1 ASSI { 1209} (( segid " " and resid 60 and name HN )) ( segid " " and resid 82 and name HG2%) 3.500 1.600 1.600 peak 1209 spectrum 1 weight 0.10000E+01 volume 0.10846E-02 ppm1 7.286 ppm2 0.972 CV 1 ASSI { 1210} (( segid " " and resid 60 and name HN )) ( segid " " and resid 60 and name HD2%) 3.500 1.600 1.600 peak 1210 spectrum 1 weight 0.10000E+01 volume 0.32040E-02 ppm1 7.286 ppm2 0.713 CV 1 OR { 1210} (( segid " " and resid 60 and name HN )) ( segid " " and resid 60 and name HD1%) ASSI { 1211} (( segid " " and resid 139 and name HN )) (( segid " " and resid 138 and name HN )) 2.300 0.700 0.700 peak 1211 spectrum 1 weight 0.10000E+01 volume 0.57312E-02 ppm1 7.916 ppm2 7.510 CV 1 ASSI { 1212} (( segid " " and resid 139 and name HN )) (( segid " " and resid 136 and name HN )) 4.000 2.000 2.000 peak 1212 spectrum 1 weight 0.10000E+01 volume 0.68301E-03 ppm1 7.920 ppm2 8.154 CV 1 ASSI { 1213} (( segid " " and resid 139 and name HN )) (( segid " " and resid 110 and name HN )) 4.300 2.400 1.700 peak 1213 spectrum 1 weight 0.10000E+01 volume 0.43508E-03 ppm1 7.920 ppm2 8.337 CV 1 ASSI { 1214} (( segid " " and resid 62 and name HN )) (( segid " " and resid 63 and name HN )) 3.800 1.800 1.800 peak 1214 spectrum 1 weight 0.10000E+01 volume 0.96230E-03 ppm1 7.920 ppm2 8.589 CV 1 ASSI { 1215} (( segid " " and resid 62 and name HN )) (( segid " " and resid 39 and name HN )) 4.100 2.100 1.900 peak 1215 spectrum 1 weight 0.10000E+01 volume 0.63145E-03 ppm1 7.920 ppm2 8.652 CV 1 ASSI { 1216} (( segid " " and resid 139 and name HN )) (( segid " " and resid 138 and name HA )) 3.300 1.300 1.300 peak 1216 spectrum 1 weight 0.10000E+01 volume 0.23403E-02 ppm1 7.919 ppm2 4.075 CV 1 ASSI { 1218} (( segid " " and resid 139 and name HN )) (( segid " " and resid 140 and name HD2 )) 4.100 2.100 1.900 peak 1218 spectrum 1 weight 0.10000E+01 volume 0.91981E-03 ppm1 7.919 ppm2 3.772 CV 1 ASSI { 1219} (( segid " " and resid 139 and name HN )) (( segid " " and resid 140 and name HD3 )) 3.200 1.300 1.300 peak 1219 spectrum 1 weight 0.10000E+01 volume 0.11927E-02 ppm1 7.919 ppm2 3.470 CV 1 ASSI { 1221} (( segid " " and resid 139 and name HN )) (( segid " " and resid 135 and name HA )) 3.300 1.400 1.400 peak 1221 spectrum 1 weight 0.10000E+01 volume 0.86404E-03 ppm1 7.919 ppm2 3.342 CV 1 ASSI { 1222} (( segid " " and resid 62 and name HN )) (( segid " " and resid 86 and name HE2 )) 4.100 2.100 1.900 peak 1222 spectrum 1 weight 0.10000E+01 volume 0.69248E-03 ppm1 7.919 ppm2 3.034 CV 1 ASSI { 1223} (( segid " " and resid 62 and name HN )) (( segid " " and resid 39 and name HB2 )) 3.400 1.400 1.400 peak 1223 spectrum 1 weight 0.10000E+01 volume 0.19638E-02 ppm1 7.919 ppm2 2.918 CV 1 OR { 1223} (( segid " " and resid 62 and name HN )) (( segid " " and resid 39 and name HB3 )) ASSI { 1224} (( segid " " and resid 62 and name HN )) (( segid " " and resid 61 and name HB2 )) 2.500 0.800 0.800 peak 1224 spectrum 1 weight 0.10000E+01 volume 0.31547E-02 ppm1 7.919 ppm2 2.064 CV 1 ASSI { 1227} (( segid " " and resid 139 and name HN )) (( segid " " and resid 138 and name HB2 )) 3.300 1.300 1.300 peak 1227 spectrum 1 weight 0.10000E+01 volume 0.50452E-02 ppm1 7.919 ppm2 1.788 CV 1 ASSI { 1230} (( segid " " and resid 62 and name HN )) (( segid " " and resid 86 and name HD3 )) 3.300 1.300 1.300 peak 1230 spectrum 1 weight 0.10000E+01 volume 0.12786E-02 ppm1 7.919 ppm2 1.265 CV 1 ASSI { 1232} (( segid " " and resid 139 and name HN )) ( segid " " and resid 139 and name HD1%) 3.700 1.700 1.700 peak 1232 spectrum 1 weight 0.10000E+01 volume 0.24030E-02 ppm1 7.916 ppm2 0.651 CV 1 ASSI { 1233} (( segid " " and resid 139 and name HN )) ( segid " " and resid 135 and name HG2%) 4.300 2.400 1.700 peak 1233 spectrum 1 weight 0.10000E+01 volume 0.94411E-03 ppm1 7.916 ppm2 0.446 CV 1 ASSI { 1236} (( segid " " and resid 63 and name HN )) (( segid " " and resid 87 and name HA )) 3.800 1.800 1.800 peak 1236 spectrum 1 weight 0.10000E+01 volume 0.55258E-03 ppm1 8.585 ppm2 5.065 CV 1 ASSI { 1238} (( segid " " and resid 63 and name HN )) (( segid " " and resid 62 and name HA )) 2.200 0.600 0.600 peak 1238 spectrum 1 weight 0.10000E+01 volume 0.59903E-02 ppm1 8.585 ppm2 4.221 CV 1 ASSI { 1240} (( segid " " and resid 63 and name HN )) (( segid " " and resid 86 and name HB2 )) 3.300 1.300 1.300 peak 1240 spectrum 1 weight 0.10000E+01 volume 0.91249E-03 ppm1 8.585 ppm2 2.352 CV 1 ASSI { 1243} (( segid " " and resid 63 and name HN )) (( segid " " and resid 86 and name HD3 )) 3.900 1.900 1.900 peak 1243 spectrum 1 weight 0.10000E+01 volume 0.52948E-03 ppm1 8.585 ppm2 1.269 CV 1 ASSI { 1245} (( segid " " and resid 63 and name HN )) ( segid " " and resid 63 and name HD1%) 4.100 2.100 1.900 peak 1245 spectrum 1 weight 0.10000E+01 volume 0.99873E-03 ppm1 8.585 ppm2 0.711 CV 1 ASSI { 1247} (( segid " " and resid 64 and name HN )) (( segid " " and resid 63 and name HA )) 2.200 0.600 0.600 peak 1247 spectrum 1 weight 0.10000E+01 volume 0.75431E-02 ppm1 8.943 ppm2 4.701 CV 1 ASSI { 1248} (( segid " " and resid 64 and name HN )) (( segid " " and resid 64 and name HD21)) 4.100 2.100 1.900 peak 1248 spectrum 1 weight 0.10000E+01 volume 0.46299E-03 ppm1 8.942 ppm2 7.560 CV 1 ASSI { 1249} (( segid " " and resid 64 and name HN )) (( segid " " and resid 63 and name HN )) 3.800 1.800 1.800 peak 1249 spectrum 1 weight 0.10000E+01 volume 0.82877E-03 ppm1 8.942 ppm2 8.578 CV 1 ASSI { 1251} (( segid " " and resid 64 and name HN )) (( segid " " and resid 63 and name HB2 )) 4.300 2.300 1.700 peak 1251 spectrum 1 weight 0.10000E+01 volume 0.81784E-03 ppm1 8.943 ppm2 1.777 CV 1 ASSI { 1253} (( segid " " and resid 64 and name HN )) (( segid " " and resid 62 and name HG2 )) 3.000 1.200 1.200 peak 1253 spectrum 1 weight 0.10000E+01 volume 0.14004E-02 ppm1 8.943 ppm2 1.498 CV 1 OR { 1253} (( segid " " and resid 64 and name HN )) (( segid " " and resid 62 and name HG3 )) ASSI { 1255} (( segid " " and resid 64 and name HN )) ( segid " " and resid 63 and name HD2%) 4.300 2.300 1.700 peak 1255 spectrum 1 weight 0.10000E+01 volume 0.15967E-02 ppm1 8.943 ppm2 0.967 CV 1 ASSI { 1256} (( segid " " and resid 64 and name HN )) ( segid " " and resid 63 and name HD1%) 5.500 3.800 0.500 peak 1256 spectrum 1 weight 0.10000E+01 volume 0.43014E-03 ppm1 8.943 ppm2 0.708 CV 1 ASSI { 1257} (( segid " " and resid 65 and name HN )) (( segid " " and resid 64 and name HN )) 2.700 0.900 0.900 peak 1257 spectrum 1 weight 0.10000E+01 volume 0.22108E-02 ppm1 8.698 ppm2 8.938 CV 1 ASSI { 1259} (( segid " " and resid 65 and name HN )) (( segid " " and resid 66 and name HN )) 2.500 0.800 0.800 peak 1259 spectrum 1 weight 0.10000E+01 volume 0.36700E-02 ppm1 8.698 ppm2 6.945 CV 1 ASSI { 1260} (( segid " " and resid 65 and name HN )) (( segid " " and resid 63 and name HA )) 3.000 1.100 1.100 peak 1260 spectrum 1 weight 0.10000E+01 volume 0.26567E-02 ppm1 8.698 ppm2 4.739 CV 1 ASSI { 1261} (( segid " " and resid 65 and name HN )) (( segid " " and resid 43 and name HA )) 4.800 2.900 1.200 peak 1261 spectrum 1 weight 0.10000E+01 volume 0.47139E-03 ppm1 8.698 ppm2 4.570 CV 1 ASSI { 1262} (( segid " " and resid 65 and name HN )) (( segid " " and resid 64 and name HA )) 3.500 1.500 1.500 peak 1262 spectrum 1 weight 0.10000E+01 volume 0.10588E-02 ppm1 8.698 ppm2 4.317 CV 1 ASSI { 1263} (( segid " " and resid 65 and name HN )) (( segid " " and resid 42 and name HA )) 4.000 2.000 2.000 peak 1263 spectrum 1 weight 0.10000E+01 volume 0.42347E-03 ppm1 8.698 ppm2 4.212 CV 1 ASSI { 1264} (( segid " " and resid 65 and name HN )) (( segid " " and resid 66 and name HA )) 4.400 2.400 1.600 peak 1264 spectrum 1 weight 0.10000E+01 volume 0.43562E-03 ppm1 8.698 ppm2 4.148 CV 1 ASSI { 1265} (( segid " " and resid 65 and name HN )) (( segid " " and resid 64 and name HB2 )) 3.200 1.300 1.300 peak 1265 spectrum 1 weight 0.10000E+01 volume 0.20025E-02 ppm1 8.698 ppm2 2.776 CV 1 OR { 1265} (( segid " " and resid 65 and name HN )) (( segid " " and resid 64 and name HB3 )) ASSI { 1266} (( segid " " and resid 65 and name HN )) (( segid " " and resid 66 and name HB3 )) 4.800 2.900 1.200 peak 1266 spectrum 1 weight 0.10000E+01 volume 0.75601E-03 ppm1 8.698 ppm2 1.441 CV 1 ASSI { 1268} (( segid " " and resid 66 and name HN )) (( segid " " and resid 67 and name HN )) 4.600 2.600 1.400 peak 1268 spectrum 1 weight 0.10000E+01 volume 0.58259E-03 ppm1 6.948 ppm2 9.160 CV 1 ASSI { 1269} (( segid " " and resid 66 and name HN )) (( segid " " and resid 64 and name HA )) 3.800 1.800 1.800 peak 1269 spectrum 1 weight 0.10000E+01 volume 0.49262E-03 ppm1 6.948 ppm2 4.323 CV 1 ASSI { 1270} (( segid " " and resid 66 and name HN )) (( segid " " and resid 65 and name HA )) 3.200 1.300 1.300 peak 1270 spectrum 1 weight 0.10000E+01 volume 0.11824E-02 ppm1 6.948 ppm2 4.412 CV 1 ASSI { 1272} (( segid " " and resid 66 and name HN )) (( segid " " and resid 45 and name HA )) 4.200 2.200 1.800 peak 1272 spectrum 1 weight 0.10000E+01 volume 0.64267E-03 ppm1 6.948 ppm2 5.118 CV 1 ASSI { 1278} (( segid " " and resid 67 and name HN )) (( segid " " and resid 45 and name HA )) 2.600 0.900 0.900 peak 1278 spectrum 1 weight 0.10000E+01 volume 0.24992E-02 ppm1 9.161 ppm2 5.124 CV 1 ASSI { 1279} (( segid " " and resid 67 and name HN )) (( segid " " and resid 66 and name HA )) 2.200 0.600 0.600 peak 1279 spectrum 1 weight 0.10000E+01 volume 0.34363E-02 ppm1 9.161 ppm2 4.149 CV 1 ASSI { 1280} (( segid " " and resid 67 and name HN )) (( segid " " and resid 45 and name HB3 )) 3.600 1.600 1.600 peak 1280 spectrum 1 weight 0.10000E+01 volume 0.65645E-03 ppm1 9.161 ppm2 2.202 CV 1 ASSI { 1288} (( segid " " and resid 69 and name HN )) (( segid " " and resid 94 and name HN )) 4.200 2.200 1.800 peak 1288 spectrum 1 weight 0.10000E+01 volume 0.54311E-03 ppm1 8.308 ppm2 8.471 CV 1 ASSI { 1291} (( segid " " and resid 69 and name HN )) (( segid " " and resid 68 and name HG3 )) 4.600 2.700 1.400 peak 1291 spectrum 1 weight 0.10000E+01 volume 0.95869E-03 ppm1 8.309 ppm2 1.219 CV 1 ASSI { 1292} (( segid " " and resid 69 and name HN )) (( segid " " and resid 68 and name HB3 )) 3.500 1.500 1.500 peak 1292 spectrum 1 weight 0.10000E+01 volume 0.93199E-03 ppm1 8.309 ppm2 1.755 CV 1 ASSI { 1293} (( segid " " and resid 69 and name HN )) (( segid " " and resid 68 and name HB2 )) 4.300 2.400 1.700 peak 1293 spectrum 1 weight 0.10000E+01 volume 0.69673E-03 ppm1 8.309 ppm2 1.892 CV 1 ASSI { 1294} (( segid " " and resid 69 and name HN )) (( segid " " and resid 92 and name HB2 )) 5.700 4.000 0.300 peak 1294 spectrum 1 weight 0.10000E+01 volume 0.67018E-03 ppm1 8.309 ppm2 3.117 CV 1 ASSI { 1295} (( segid " " and resid 69 and name HN )) (( segid " " and resid 92 and name HB3 )) 4.400 2.400 1.600 peak 1295 spectrum 1 weight 0.10000E+01 volume 0.45751E-03 ppm1 8.309 ppm2 3.034 CV 1 ASSI { 1296} (( segid " " and resid 69 and name HN )) (( segid " " and resid 93 and name HA )) 3.000 1.100 1.100 peak 1296 spectrum 1 weight 0.10000E+01 volume 0.13059E-02 ppm1 8.308 ppm2 5.276 CV 1 ASSI { 1297} (( segid " " and resid 69 and name HN )) (( segid " " and resid 68 and name HA )) 2.200 0.600 0.600 peak 1297 spectrum 1 weight 0.10000E+01 volume 0.57247E-02 ppm1 8.308 ppm2 5.465 CV 1 ASSI { 1300} (( segid " " and resid 70 and name HN )) (( segid " " and resid 47 and name HG )) 4.100 2.100 1.900 peak 1300 spectrum 1 weight 0.10000E+01 volume 0.53629E-03 ppm1 8.934 ppm2 1.188 CV 1 ASSI { 1301} (( segid " " and resid 70 and name HN )) (( segid " " and resid 69 and name HB3 )) 3.700 1.700 1.700 peak 1301 spectrum 1 weight 0.10000E+01 volume 0.14565E-02 ppm1 8.934 ppm2 1.363 CV 1 OR { 1301} (( segid " " and resid 70 and name HN )) (( segid " " and resid 69 and name HG )) ASSI { 1302} (( segid " " and resid 70 and name HN )) (( segid " " and resid 69 and name HB2 )) 4.700 2.800 1.300 peak 1302 spectrum 1 weight 0.10000E+01 volume 0.57658E-03 ppm1 8.934 ppm2 2.014 CV 1 ASSI { 1304} (( segid " " and resid 70 and name HN )) (( segid " " and resid 48 and name HA )) 2.800 1.000 1.000 peak 1304 spectrum 1 weight 0.10000E+01 volume 0.14992E-02 ppm1 8.934 ppm2 5.166 CV 1 ASSI { 1305} (( segid " " and resid 70 and name HN )) (( segid " " and resid 69 and name HA )) 2.200 0.600 0.600 peak 1305 spectrum 1 weight 0.10000E+01 volume 0.53133E-02 ppm1 8.934 ppm2 5.412 CV 1 ASSI { 1306} (( segid " " and resid 70 and name HN )) (( segid " " and resid 49 and name HN )) 4.300 2.300 1.700 peak 1306 spectrum 1 weight 0.10000E+01 volume 0.68902E-03 ppm1 8.935 ppm2 9.073 CV 1 ASSI { 1312} (( segid " " and resid 71 and name HN )) (( segid " " and resid 70 and name HA )) 2.600 0.800 0.800 peak 1312 spectrum 1 weight 0.10000E+01 volume 0.22856E-02 ppm1 8.336 ppm2 4.762 CV 1 ASSI { 1313} (( segid " " and resid 71 and name HN )) (( segid " " and resid 94 and name HB2 )) 3.800 1.800 1.800 peak 1313 spectrum 1 weight 0.10000E+01 volume 0.99753E-03 ppm1 8.336 ppm2 3.394 CV 1 ASSI { 1316} (( segid " " and resid 71 and name HN )) (( segid " " and resid 94 and name HN )) 3.500 1.500 1.500 peak 1316 spectrum 1 weight 0.10000E+01 volume 0.99021E-03 ppm1 8.336 ppm2 8.456 CV 1 ASSI { 1318} (( segid " " and resid 72 and name HN )) (( segid " " and resid 71 and name HN )) 2.700 0.900 0.900 peak 1318 spectrum 1 weight 0.10000E+01 volume 0.29865E-02 ppm1 8.251 ppm2 8.343 CV 1 ASSI { 1319} (( segid " " and resid 72 and name HN )) (( segid " " and resid 73 and name HN )) 4.800 2.800 1.200 peak 1319 spectrum 1 weight 0.10000E+01 volume 0.56550E-03 ppm1 8.251 ppm2 8.849 CV 1 ASSI { 1320} (( segid " " and resid 72 and name HN )) (( segid " " and resid 70 and name HA )) 3.700 1.700 1.700 peak 1320 spectrum 1 weight 0.10000E+01 volume 0.19665E-02 ppm1 8.251 ppm2 4.756 CV 1 ASSI { 1321} (( segid " " and resid 72 and name HN )) (( segid " " and resid 71 and name HA )) 3.100 1.200 1.200 peak 1321 spectrum 1 weight 0.10000E+01 volume 0.14071E-02 ppm1 8.251 ppm2 4.471 CV 1 ASSI { 1323} (( segid " " and resid 72 and name HN )) (( segid " " and resid 94 and name HB2 )) 4.600 2.600 1.400 peak 1323 spectrum 1 weight 0.10000E+01 volume 0.50357E-03 ppm1 8.251 ppm2 3.391 CV 1 ASSI { 1324} (( segid " " and resid 72 and name HN )) (( segid " " and resid 70 and name HB2 )) 4.600 2.600 1.400 peak 1324 spectrum 1 weight 0.10000E+01 volume 0.50117E-03 ppm1 8.251 ppm2 2.523 CV 1 OR { 1324} (( segid " " and resid 72 and name HN )) (( segid " " and resid 70 and name HG2 )) ASSI { 1327} (( segid " " and resid 72 and name HN )) (( segid " " and resid 71 and name HB3 )) 3.900 1.900 1.900 peak 1327 spectrum 1 weight 0.10000E+01 volume 0.77781E-03 ppm1 8.251 ppm2 1.637 CV 1 ASSI { 1328} (( segid " " and resid 72 and name HN )) (( segid " " and resid 71 and name HB2 )) 4.200 2.300 1.800 peak 1328 spectrum 1 weight 0.10000E+01 volume 0.44229E-03 ppm1 8.251 ppm2 1.847 CV 1 ASSI { 1329} (( segid " " and resid 73 and name HN )) (( segid " " and resid 72 and name HB2 )) 3.300 1.400 1.400 peak 1329 spectrum 1 weight 0.10000E+01 volume 0.16647E-02 ppm1 8.847 ppm2 3.784 CV 1 OR { 1329} (( segid " " and resid 73 and name HN )) (( segid " " and resid 72 and name HB3 )) ASSI { 1330} (( segid " " and resid 73 and name HN )) (( segid " " and resid 97 and name HA1 )) 4.500 2.600 1.500 peak 1330 spectrum 1 weight 0.10000E+01 volume 0.73963E-03 ppm1 8.847 ppm2 4.086 CV 1 ASSI { 1331} (( segid " " and resid 73 and name HN )) (( segid " " and resid 72 and name HA )) 2.500 0.800 0.800 peak 1331 spectrum 1 weight 0.10000E+01 volume 0.32574E-02 ppm1 8.847 ppm2 4.581 CV 1 ASSI { 1334} (( segid " " and resid 73 and name HN )) (( segid " " and resid 98 and name HD21)) 4.700 2.700 1.300 peak 1334 spectrum 1 weight 0.10000E+01 volume 0.44844E-03 ppm1 8.846 ppm2 7.590 CV 1 ASSI { 1335} (( segid " " and resid 74 and name HN )) (( segid " " and resid 98 and name HD22)) 3.200 1.300 1.300 peak 1335 spectrum 1 weight 0.10000E+01 volume 0.12493E-02 ppm1 6.723 ppm2 6.295 CV 1 ASSI { 1336} (( segid " " and resid 74 and name HN )) (( segid " " and resid 74 and name HD22)) 4.400 2.400 1.600 peak 1336 spectrum 1 weight 0.10000E+01 volume 0.90167E-03 ppm1 6.723 ppm2 7.180 CV 1 ASSI { 1337} (( segid " " and resid 74 and name HN )) (( segid " " and resid 98 and name HD21)) 3.300 1.400 1.400 peak 1337 spectrum 1 weight 0.10000E+01 volume 0.19438E-02 ppm1 6.723 ppm2 7.592 CV 1 ASSI { 1338} (( segid " " and resid 74 and name HN )) (( segid " " and resid 74 and name HD21)) 4.200 2.200 1.800 peak 1338 spectrum 1 weight 0.10000E+01 volume 0.55002E-03 ppm1 6.723 ppm2 7.870 CV 1 ASSI { 1339} (( segid " " and resid 74 and name HN )) (( segid " " and resid 75 and name HN )) 4.300 2.300 1.700 peak 1339 spectrum 1 weight 0.10000E+01 volume 0.90167E-03 ppm1 6.723 ppm2 8.704 CV 1 ASSI { 1340} (( segid " " and resid 74 and name HN )) (( segid " " and resid 73 and name HN )) 2.900 1.100 1.100 peak 1340 spectrum 1 weight 0.10000E+01 volume 0.22108E-02 ppm1 6.723 ppm2 8.848 CV 1 ASSI { 1342} (( segid " " and resid 74 and name HN )) (( segid " " and resid 73 and name HA )) 2.700 0.900 0.900 peak 1342 spectrum 1 weight 0.10000E+01 volume 0.40091E-02 ppm1 6.723 ppm2 3.993 CV 1 ASSI { 1344} (( segid " " and resid 74 and name HN )) (( segid " " and resid 72 and name HA )) 3.600 1.600 1.600 peak 1344 spectrum 1 weight 0.10000E+01 volume 0.10743E-02 ppm1 6.723 ppm2 4.583 CV 1 ASSI { 1345} (( segid " " and resid 74 and name HN )) (( segid " " and resid 98 and name HA )) 3.400 1.400 1.400 peak 1345 spectrum 1 weight 0.10000E+01 volume 0.10588E-02 ppm1 6.723 ppm2 5.393 CV 1 ASSI { 1346} (( segid " " and resid 74 and name HN )) (( segid " " and resid 73 and name HB2 )) 4.100 2.100 1.900 peak 1346 spectrum 1 weight 0.10000E+01 volume 0.53719E-03 ppm1 6.723 ppm2 2.251 CV 1 ASSI { 1347} (( segid " " and resid 74 and name HN )) (( segid " " and resid 73 and name HB3 )) 4.300 2.300 1.700 peak 1347 spectrum 1 weight 0.10000E+01 volume 0.59807E-03 ppm1 6.723 ppm2 2.071 CV 1 ASSI { 1348} (( segid " " and resid 74 and name HN )) (( segid " " and resid 54 and name HB3 )) 5.200 3.300 0.800 peak 1348 spectrum 1 weight 0.10000E+01 volume 0.59286E-03 ppm1 6.723 ppm2 1.325 CV 1 OR { 1348} (( segid " " and resid 74 and name HN )) (( segid " " and resid 54 and name HB2 )) ASSI { 1350} (( segid " " and resid 75 and name HN )) (( segid " " and resid 76 and name HN )) 3.400 1.400 1.400 peak 1350 spectrum 1 weight 0.10000E+01 volume 0.15139E-02 ppm1 8.702 ppm2 8.908 CV 1 ASSI { 1353} (( segid " " and resid 75 and name HN )) (( segid " " and resid 74 and name HA )) 2.800 0.900 0.900 peak 1353 spectrum 1 weight 0.10000E+01 volume 0.21013E-02 ppm1 8.703 ppm2 5.129 CV 1 ASSI { 1359} (( segid " " and resid 75 and name HN )) (( segid " " and resid 54 and name HB3 )) 3.800 1.800 1.800 peak 1359 spectrum 1 weight 0.10000E+01 volume 0.12408E-02 ppm1 8.702 ppm2 1.322 CV 1 OR { 1359} (( segid " " and resid 75 and name HN )) (( segid " " and resid 54 and name HB2 )) ASSI { 1365} (( segid " " and resid 76 and name HN )) (( segid " " and resid 98 and name HA )) 3.900 1.900 1.900 peak 1365 spectrum 1 weight 0.10000E+01 volume 0.44844E-03 ppm1 8.912 ppm2 5.401 CV 1 ASSI { 1366} (( segid " " and resid 76 and name HN )) (( segid " " and resid 75 and name HA )) 2.900 1.000 1.000 peak 1366 spectrum 1 weight 0.10000E+01 volume 0.15192E-02 ppm1 8.912 ppm2 4.653 CV 1 ASSI { 1367} (( segid " " and resid 76 and name HN )) (( segid " " and resid 74 and name HB2 )) 3.800 1.800 1.800 peak 1367 spectrum 1 weight 0.10000E+01 volume 0.10109E-02 ppm1 8.912 ppm2 3.199 CV 1 OR { 1367} (( segid " " and resid 76 and name HN )) (( segid " " and resid 74 and name HB3 )) ASSI { 1368} (( segid " " and resid 76 and name HN )) (( segid " " and resid 98 and name HB2 )) 4.700 2.700 1.300 peak 1368 spectrum 1 weight 0.10000E+01 volume 0.89671E-03 ppm1 8.912 ppm2 3.022 CV 1 ASSI { 1370} (( segid " " and resid 76 and name HN )) (( segid " " and resid 76 and name HG13)) 3.800 1.800 1.800 peak 1370 spectrum 1 weight 0.10000E+01 volume 0.23724E-02 ppm1 8.912 ppm2 0.938 CV 1 OR { 1370} (( segid " " and resid 76 and name HN )) ( segid " " and resid 76 and name HG2%) ASSI { 1373} (( segid " " and resid 77 and name HN )) (( segid " " and resid 78 and name HN )) 2.400 0.700 0.700 peak 1373 spectrum 1 weight 0.10000E+01 volume 0.59717E-02 ppm1 9.146 ppm2 7.237 CV 1 ASSI { 1377} (( segid " " and resid 77 and name HN )) (( segid " " and resid 76 and name HB )) 4.100 2.100 1.900 peak 1377 spectrum 1 weight 0.10000E+01 volume 0.80567E-03 ppm1 9.146 ppm2 1.650 CV 1 ASSI { 1380} (( segid " " and resid 77 and name HN )) ( segid " " and resid 76 and name HD1%) 4.700 2.800 1.300 peak 1380 spectrum 1 weight 0.10000E+01 volume 0.93920E-03 ppm1 9.146 ppm2 0.767 CV 1 ASSI { 1382} (( segid " " and resid 78 and name HN )) (( segid " " and resid 79 and name HN )) 4.600 2.600 1.400 peak 1382 spectrum 1 weight 0.10000E+01 volume 0.80822E-03 ppm1 7.238 ppm2 8.640 CV 1 ASSI { 1384} (( segid " " and resid 78 and name HN )) (( segid " " and resid 77 and name HA )) 3.000 1.100 1.100 peak 1384 spectrum 1 weight 0.10000E+01 volume 0.16060E-02 ppm1 7.238 ppm2 4.974 CV 1 ASSI { 1386} (( segid " " and resid 78 and name HN )) (( segid " " and resid 76 and name HB )) 4.400 2.400 1.600 peak 1386 spectrum 1 weight 0.10000E+01 volume 0.70701E-03 ppm1 7.238 ppm2 1.641 CV 1 ASSI { 1388} (( segid " " and resid 78 and name HN )) ( segid " " and resid 76 and name HG2%) 2.300 0.700 0.700 peak 1388 spectrum 1 weight 0.10000E+01 volume 0.78633E-02 ppm1 7.238 ppm2 0.940 CV 1 ASSI { 1391} (( segid " " and resid 79 and name HN )) (( segid " " and resid 81 and name HN )) 4.400 2.400 1.600 peak 1391 spectrum 1 weight 0.10000E+01 volume 0.61436E-03 ppm1 8.645 ppm2 10.021 CV 1 ASSI { 1392} (( segid " " and resid 79 and name HN )) (( segid " " and resid 80 and name HN )) 2.600 0.800 0.800 peak 1392 spectrum 1 weight 0.10000E+01 volume 0.30679E-02 ppm1 8.645 ppm2 9.025 CV 1 ASSI { 1394} (( segid " " and resid 79 and name HN )) (( segid " " and resid 78 and name HA1 )) 2.600 0.800 0.800 peak 1394 spectrum 1 weight 0.10000E+01 volume 0.76202E-02 ppm1 8.646 ppm2 4.213 CV 1 ASSI { 1395} (( segid " " and resid 79 and name HN )) (( segid " " and resid 78 and name HA2 )) 2.400 0.700 0.700 peak 1395 spectrum 1 weight 0.10000E+01 volume 0.58009E-02 ppm1 8.646 ppm2 4.020 CV 1 ASSI { 1397} (( segid " " and resid 79 and name HN )) (( segid " " and resid 80 and name HG )) 4.300 2.300 1.700 peak 1397 spectrum 1 weight 0.10000E+01 volume 0.67524E-03 ppm1 8.645 ppm2 1.571 CV 1 ASSI { 1400} (( segid " " and resid 79 and name HN )) ( segid " " and resid 80 and name HD2%) 5.100 3.200 0.900 peak 1400 spectrum 1 weight 0.10000E+01 volume 0.50237E-03 ppm1 8.645 ppm2 0.663 CV 1 ASSI { 1401} (( segid " " and resid 80 and name HN )) (( segid " " and resid 81 and name HN )) 2.500 0.800 0.800 peak 1401 spectrum 1 weight 0.10000E+01 volume 0.28035E-02 ppm1 9.026 ppm2 10.035 CV 1 ASSI { 1404} (( segid " " and resid 80 and name HN )) (( segid " " and resid 79 and name HA )) 2.800 1.000 1.000 peak 1404 spectrum 1 weight 0.10000E+01 volume 0.29718E-02 ppm1 9.026 ppm2 4.660 CV 1 ASSI { 1405} (( segid " " and resid 80 and name HN )) (( segid " " and resid 78 and name HA1 )) 3.400 1.400 1.400 peak 1405 spectrum 1 weight 0.10000E+01 volume 0.93439E-03 ppm1 9.026 ppm2 4.217 CV 1 ASSI { 1406} (( segid " " and resid 80 and name HN )) (( segid " " and resid 79 and name HB2 )) 3.900 1.900 1.900 peak 1406 spectrum 1 weight 0.10000E+01 volume 0.84695E-03 ppm1 9.026 ppm2 2.971 CV 1 OR { 1406} (( segid " " and resid 80 and name HN )) (( segid " " and resid 79 and name HB3 )) ASSI { 1408} (( segid " " and resid 80 and name HN )) (( segid " " and resid 80 and name HG )) 2.200 0.600 0.600 peak 1408 spectrum 1 weight 0.10000E+01 volume 0.50798E-02 ppm1 9.026 ppm2 1.576 CV 1 ASSI { 1410} (( segid " " and resid 80 and name HN )) ( segid " " and resid 80 and name HD1%) 3.800 1.800 1.800 peak 1410 spectrum 1 weight 0.10000E+01 volume 0.24885E-02 ppm1 9.026 ppm2 0.814 CV 1 ASSI { 1411} (( segid " " and resid 80 and name HN )) ( segid " " and resid 80 and name HD2%) 3.500 1.500 1.500 peak 1411 spectrum 1 weight 0.10000E+01 volume 0.24471E-02 ppm1 9.026 ppm2 0.666 CV 1 ASSI { 1413} (( segid " " and resid 81 and name HN )) (( segid " " and resid 82 and name HN )) 2.500 0.800 0.800 peak 1413 spectrum 1 weight 0.10000E+01 volume 0.36259E-02 ppm1 10.035 ppm2 7.588 CV 1 ASSI { 1415} (( segid " " and resid 81 and name HN )) (( segid " " and resid 79 and name HA )) 3.200 1.200 1.200 peak 1415 spectrum 1 weight 0.10000E+01 volume 0.16047E-02 ppm1 10.035 ppm2 4.659 CV 1 ASSI { 1417} (( segid " " and resid 81 and name HN )) (( segid " " and resid 80 and name HB2 )) 3.200 1.200 1.200 peak 1417 spectrum 1 weight 0.10000E+01 volume 0.10675E-02 ppm1 10.035 ppm2 1.756 CV 1 ASSI { 1418} (( segid " " and resid 81 and name HN )) (( segid " " and resid 80 and name HG )) 4.500 2.600 1.500 peak 1418 spectrum 1 weight 0.10000E+01 volume 0.71477E-03 ppm1 10.035 ppm2 1.567 CV 1 ASSI { 1419} (( segid " " and resid 81 and name HN )) (( segid " " and resid 80 and name HB3 )) 4.300 2.300 1.700 peak 1419 spectrum 1 weight 0.10000E+01 volume 0.60744E-03 ppm1 10.035 ppm2 1.444 CV 1 ASSI { 1420} (( segid " " and resid 81 and name HN )) (( segid " " and resid 108 and name HB3 )) 3.300 1.400 1.400 peak 1420 spectrum 1 weight 0.10000E+01 volume 0.82155E-03 ppm1 10.035 ppm2 1.165 CV 1 ASSI { 1422} (( segid " " and resid 81 and name HN )) ( segid " " and resid 82 and name HG2%) 4.800 2.900 1.200 peak 1422 spectrum 1 weight 0.10000E+01 volume 0.54576E-03 ppm1 10.035 ppm2 0.975 CV 1 ASSI { 1424} (( segid " " and resid 81 and name HN )) ( segid " " and resid 80 and name HD2%) 5.000 3.100 1.000 peak 1424 spectrum 1 weight 0.10000E+01 volume 0.66842E-03 ppm1 10.035 ppm2 0.662 CV 1 ASSI { 1426} (( segid " " and resid 82 and name HN )) (( segid " " and resid 80 and name HN )) 4.300 2.400 1.700 peak 1426 spectrum 1 weight 0.10000E+01 volume 0.48969E-03 ppm1 7.592 ppm2 9.021 CV 1 ASSI { 1427} (( segid " " and resid 82 and name HN )) (( segid " " and resid 83 and name HN )) 2.500 0.800 0.800 peak 1427 spectrum 1 weight 0.10000E+01 volume 0.35819E-02 ppm1 7.592 ppm2 7.295 CV 1 ASSI { 1428} (( segid " " and resid 82 and name HN )) (( segid " " and resid 79 and name HA )) 3.700 1.700 1.700 peak 1428 spectrum 1 weight 0.10000E+01 volume 0.58780E-03 ppm1 7.592 ppm2 4.662 CV 1 ASSI { 1430} (( segid " " and resid 82 and name HN )) (( segid " " and resid 81 and name HG3 )) 3.100 1.200 1.200 peak 1430 spectrum 1 weight 0.10000E+01 volume 0.23724E-02 ppm1 7.593 ppm2 2.344 CV 1 OR { 1430} (( segid " " and resid 82 and name HN )) (( segid " " and resid 81 and name HG2 )) ASSI { 1431} (( segid " " and resid 82 and name HN )) (( segid " " and resid 81 and name HB3 )) 3.000 1.200 1.200 peak 1431 spectrum 1 weight 0.10000E+01 volume 0.27875E-02 ppm1 7.593 ppm2 2.058 CV 1 OR { 1431} (( segid " " and resid 82 and name HN )) (( segid " " and resid 81 and name HB2 )) ASSI { 1432} (( segid " " and resid 82 and name HN )) (( segid " " and resid 83 and name HB2 )) 4.500 2.500 1.500 peak 1432 spectrum 1 weight 0.10000E+01 volume 0.63761E-03 ppm1 7.593 ppm2 1.896 CV 1 ASSI { 1438} (( segid " " and resid 83 and name HN )) (( segid " " and resid 85 and name HN )) 4.000 2.000 2.000 peak 1438 spectrum 1 weight 0.10000E+01 volume 0.43201E-03 ppm1 7.303 ppm2 7.000 CV 1 ASSI { 1439} (( segid " " and resid 83 and name HN )) (( segid " " and resid 82 and name HB )) 3.300 1.300 1.300 peak 1439 spectrum 1 weight 0.10000E+01 volume 0.17542E-02 ppm1 7.303 ppm2 2.149 CV 1 ASSI { 1442} (( segid " " and resid 83 and name HN )) (( segid " " and resid 83 and name HG )) 2.100 0.500 0.500 peak 1442 spectrum 1 weight 0.10000E+01 volume 0.61747E-02 ppm1 7.303 ppm2 1.577 CV 1 ASSI { 1444} (( segid " " and resid 83 and name HN )) ( segid " " and resid 84 and name HB% ) 4.100 2.100 1.900 peak 1444 spectrum 1 weight 0.10000E+01 volume 0.10424E-02 ppm1 7.303 ppm2 1.339 CV 1 ASSI { 1447} (( segid " " and resid 83 and name HN )) ( segid " " and resid 83 and name HD1%) 3.800 1.800 1.800 peak 1447 spectrum 1 weight 0.10000E+01 volume 0.28356E-02 ppm1 7.303 ppm2 0.783 CV 1 ASSI { 1450} (( segid " " and resid 84 and name HN )) (( segid " " and resid 85 and name HN )) 2.400 0.700 0.700 peak 1450 spectrum 1 weight 0.10000E+01 volume 0.45444E-02 ppm1 7.386 ppm2 7.006 CV 1 ASSI { 1451} (( segid " " and resid 84 and name HN )) (( segid " " and resid 82 and name HN )) 3.900 1.900 1.900 peak 1451 spectrum 1 weight 0.10000E+01 volume 0.70620E-03 ppm1 7.386 ppm2 7.601 CV 1 ASSI { 1452} (( segid " " and resid 84 and name HN )) (( segid " " and resid 86 and name HN )) 4.000 2.000 2.000 peak 1452 spectrum 1 weight 0.10000E+01 volume 0.88098E-03 ppm1 7.386 ppm2 8.169 CV 1 ASSI { 1456} (( segid " " and resid 84 and name HN )) (( segid " " and resid 85 and name HG3 )) 4.500 2.500 1.500 peak 1456 spectrum 1 weight 0.10000E+01 volume 0.57658E-03 ppm1 7.386 ppm2 2.159 CV 1 ASSI { 1457} (( segid " " and resid 84 and name HN )) (( segid " " and resid 83 and name HB2 )) 2.500 0.800 0.800 peak 1457 spectrum 1 weight 0.10000E+01 volume 0.27729E-02 ppm1 7.386 ppm2 1.887 CV 1 ASSI { 1460} (( segid " " and resid 84 and name HN )) (( segid " " and resid 83 and name HB3 )) 3.500 1.500 1.500 peak 1460 spectrum 1 weight 0.10000E+01 volume 0.21040E-02 ppm1 7.386 ppm2 1.217 CV 1 ASSI { 1462} (( segid " " and resid 84 and name HN )) ( segid " " and resid 112 and name HD2%) 3.900 1.900 1.900 peak 1462 spectrum 1 weight 0.10000E+01 volume 0.18877E-02 ppm1 7.386 ppm2 0.832 CV 1 ASSI { 1463} (( segid " " and resid 84 and name HN )) ( segid " " and resid 83 and name HD2%) 4.800 2.800 1.200 peak 1463 spectrum 1 weight 0.10000E+01 volume 0.92462E-03 ppm1 7.386 ppm2 0.639 CV 1 ASSI { 1466} (( segid " " and resid 85 and name HN )) (( segid " " and resid 86 and name HN )) 2.200 0.600 0.600 peak 1466 spectrum 1 weight 0.10000E+01 volume 0.64362E-02 ppm1 7.007 ppm2 8.172 CV 1 ASSI { 1467} (( segid " " and resid 85 and name HN )) (( segid " " and resid 87 and name HN )) 3.700 1.700 1.700 peak 1467 spectrum 1 weight 0.10000E+01 volume 0.11669E-02 ppm1 7.007 ppm2 8.459 CV 1 ASSI { 1468} (( segid " " and resid 85 and name HN )) (( segid " " and resid 86 and name HA )) 4.800 2.900 1.200 peak 1468 spectrum 1 weight 0.10000E+01 volume 0.57833E-03 ppm1 7.007 ppm2 4.329 CV 1 ASSI { 1470} (( segid " " and resid 85 and name HN )) (( segid " " and resid 83 and name HB2 )) 4.400 2.500 1.600 peak 1470 spectrum 1 weight 0.10000E+01 volume 0.57137E-03 ppm1 7.007 ppm2 1.883 CV 1 ASSI { 1471} (( segid " " and resid 85 and name HN )) (( segid " " and resid 86 and name HB3 )) 4.400 2.400 1.600 peak 1471 spectrum 1 weight 0.10000E+01 volume 0.10725E-02 ppm1 7.007 ppm2 1.754 CV 1 ASSI { 1472} (( segid " " and resid 85 and name HN )) (( segid " " and resid 86 and name HG2 )) 4.000 2.000 2.000 peak 1472 spectrum 1 weight 0.10000E+01 volume 0.14445E-02 ppm1 7.007 ppm2 1.443 CV 1 OR { 1472} (( segid " " and resid 85 and name HN )) (( segid " " and resid 86 and name HG3 )) ASSI { 1473} (( segid " " and resid 85 and name HN )) ( segid " " and resid 84 and name HB% ) 2.600 0.800 0.800 peak 1473 spectrum 1 weight 0.10000E+01 volume 0.46953E-02 ppm1 7.007 ppm2 1.336 CV 1 ASSI { 1474} (( segid " " and resid 85 and name HN )) ( segid " " and resid 82 and name HG1%) 4.200 2.200 1.800 peak 1474 spectrum 1 weight 0.10000E+01 volume 0.57407E-03 ppm1 7.007 ppm2 1.062 CV 1 ASSI { 1476} (( segid " " and resid 85 and name HN )) ( segid " " and resid 112 and name HD2%) 4.500 2.500 1.500 peak 1476 spectrum 1 weight 0.10000E+01 volume 0.66592E-03 ppm1 7.007 ppm2 0.850 CV 1 ASSI { 1479} (( segid " " and resid 86 and name HN )) (( segid " " and resid 87 and name HN )) 2.400 0.700 0.700 peak 1479 spectrum 1 weight 0.10000E+01 volume 0.36553E-02 ppm1 8.175 ppm2 8.454 CV 1 ASSI { 1482} (( segid " " and resid 86 and name HN )) (( segid " " and resid 85 and name HG3 )) 4.800 2.900 1.200 peak 1482 spectrum 1 weight 0.10000E+01 volume 0.66326E-03 ppm1 8.175 ppm2 2.175 CV 1 ASSI { 1484} (( segid " " and resid 86 and name HN )) (( segid " " and resid 86 and name HE3 )) 4.400 2.400 1.600 peak 1484 spectrum 1 weight 0.10000E+01 volume 0.48114E-03 ppm1 8.175 ppm2 2.975 CV 1 ASSI { 1485} (( segid " " and resid 86 and name HN )) (( segid " " and resid 86 and name HG2 )) 2.400 0.700 0.700 peak 1485 spectrum 1 weight 0.10000E+01 volume 0.38489E-02 ppm1 8.175 ppm2 1.452 CV 1 OR { 1485} (( segid " " and resid 86 and name HN )) (( segid " " and resid 86 and name HG3 )) ASSI { 1486} (( segid " " and resid 86 and name HN )) (( segid " " and resid 86 and name HD3 )) 4.500 2.500 1.500 peak 1486 spectrum 1 weight 0.10000E+01 volume 0.89551E-03 ppm1 8.175 ppm2 1.274 CV 1 ASSI { 1490} (( segid " " and resid 86 and name HN )) ( segid " " and resid 60 and name HD1%) 4.300 2.300 1.700 peak 1490 spectrum 1 weight 0.10000E+01 volume 0.49876E-03 ppm1 8.175 ppm2 0.703 CV 1 ASSI { 1493} (( segid " " and resid 87 and name HN )) (( segid " " and resid 86 and name HA )) 3.300 1.400 1.400 peak 1493 spectrum 1 weight 0.10000E+01 volume 0.12356E-02 ppm1 8.456 ppm2 4.320 CV 1 ASSI { 1496} (( segid " " and resid 87 and name HN )) (( segid " " and resid 88 and name HD2 )) 4.000 2.000 2.000 peak 1496 spectrum 1 weight 0.10000E+01 volume 0.82877E-03 ppm1 8.456 ppm2 3.437 CV 1 ASSI { 1497} (( segid " " and resid 87 and name HN )) (( segid " " and resid 88 and name HD3 )) 2.800 1.000 1.000 peak 1497 spectrum 1 weight 0.10000E+01 volume 0.13111E-02 ppm1 8.456 ppm2 3.191 CV 1 ASSI { 1498} (( segid " " and resid 87 and name HN )) (( segid " " and resid 86 and name HB2 )) 3.700 1.800 1.800 peak 1498 spectrum 1 weight 0.10000E+01 volume 0.10691E-02 ppm1 8.456 ppm2 2.359 CV 1 ASSI { 1499} (( segid " " and resid 87 and name HN )) (( segid " " and resid 85 and name HB2 )) 4.300 2.300 1.700 peak 1499 spectrum 1 weight 0.10000E+01 volume 0.61356E-03 ppm1 8.456 ppm2 2.070 CV 1 ASSI { 1502} (( segid " " and resid 87 and name HN )) (( segid " " and resid 86 and name HG2 )) 3.700 1.700 1.700 peak 1502 spectrum 1 weight 0.10000E+01 volume 0.14685E-02 ppm1 8.456 ppm2 1.467 CV 1 OR { 1502} (( segid " " and resid 87 and name HN )) (( segid " " and resid 86 and name HG3 )) ASSI { 1503} (( segid " " and resid 87 and name HN )) (( segid " " and resid 83 and name HB3 )) 4.100 2.100 1.900 peak 1503 spectrum 1 weight 0.10000E+01 volume 0.62037E-03 ppm1 8.456 ppm2 1.212 CV 1 ASSI { 1506} (( segid " " and resid 89 and name HN )) (( segid " " and resid 89 and name HD21)) 3.500 1.500 1.500 peak 1506 spectrum 1 weight 0.10000E+01 volume 0.74654E-03 ppm1 8.688 ppm2 8.153 CV 1 ASSI { 1507} (( segid " " and resid 89 and name HN )) (( segid " " and resid 90 and name HN )) 2.400 0.700 0.700 peak 1507 spectrum 1 weight 0.10000E+01 volume 0.39850E-02 ppm1 8.688 ppm2 7.170 CV 1 ASSI { 1508} (( segid " " and resid 89 and name HN )) (( segid " " and resid 89 and name HD22)) 4.700 2.700 1.300 peak 1508 spectrum 1 weight 0.10000E+01 volume 0.58860E-03 ppm1 8.688 ppm2 7.031 CV 1 ASSI { 1509} (( segid " " and resid 89 and name HN )) (( segid " " and resid 87 and name HA )) 3.400 1.400 1.400 peak 1509 spectrum 1 weight 0.10000E+01 volume 0.90167E-03 ppm1 8.688 ppm2 5.071 CV 1 ASSI { 1512} (( segid " " and resid 89 and name HN )) (( segid " " and resid 88 and name HA )) 3.400 1.400 1.400 peak 1512 spectrum 1 weight 0.10000E+01 volume 0.10351E-02 ppm1 8.688 ppm2 4.227 CV 1 ASSI { 1513} (( segid " " and resid 89 and name HN )) (( segid " " and resid 90 and name HA )) 4.800 2.800 1.200 peak 1513 spectrum 1 weight 0.10000E+01 volume 0.41252E-03 ppm1 8.688 ppm2 3.980 CV 1 ASSI { 1514} (( segid " " and resid 89 and name HN )) (( segid " " and resid 88 and name HD2 )) 3.000 1.100 1.100 peak 1514 spectrum 1 weight 0.10000E+01 volume 0.11086E-02 ppm1 8.688 ppm2 3.438 CV 1 ASSI { 1515} (( segid " " and resid 89 and name HN )) (( segid " " and resid 88 and name HB2 )) 3.900 1.900 1.900 peak 1515 spectrum 1 weight 0.10000E+01 volume 0.58956E-03 ppm1 8.688 ppm2 2.458 CV 1 ASSI { 1518} (( segid " " and resid 89 and name HN )) (( segid " " and resid 88 and name HG3 )) 4.000 2.000 2.000 peak 1518 spectrum 1 weight 0.10000E+01 volume 0.15580E-02 ppm1 8.688 ppm2 1.876 CV 1 ASSI { 1520} (( segid " " and resid 89 and name HN )) (( segid " " and resid 90 and name HB2 )) 4.000 2.000 2.000 peak 1520 spectrum 1 weight 0.10000E+01 volume 0.96110E-03 ppm1 8.688 ppm2 1.747 CV 1 ASSI { 1521} (( segid " " and resid 75 and name HN )) (( segid " " and resid 75 and name HB3 )) 3.700 1.700 1.700 peak 1521 spectrum 1 weight 0.10000E+01 volume 0.11875E-02 ppm1 8.688 ppm2 1.539 CV 1 OR { 1521} (( segid " " and resid 75 and name HN )) (( segid " " and resid 75 and name HG2 )) ASSI { 1525} (( segid " " and resid 90 and name HN )) (( segid " " and resid 91 and name HN )) 4.300 2.300 1.700 peak 1525 spectrum 1 weight 0.10000E+01 volume 0.75481E-03 ppm1 7.179 ppm2 8.877 CV 1 ASSI { 1526} (( segid " " and resid 90 and name HN )) (( segid " " and resid 88 and name HA )) 3.700 1.700 1.700 peak 1526 spectrum 1 weight 0.10000E+01 volume 0.76323E-03 ppm1 7.178 ppm2 4.227 CV 1 ASSI { 1527} (( segid " " and resid 90 and name HN )) (( segid " " and resid 87 and name HA )) 4.200 2.200 1.800 peak 1527 spectrum 1 weight 0.10000E+01 volume 0.37621E-03 ppm1 7.178 ppm2 5.057 CV 1 ASSI { 1528} (( segid " " and resid 90 and name HN )) (( segid " " and resid 89 and name HA )) 3.200 1.300 1.300 peak 1528 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 7.178 ppm2 4.896 CV 1 ASSI { 1529} (( segid " " and resid 90 and name HN )) (( segid " " and resid 87 and name HB2 )) 4.800 2.900 1.200 peak 1529 spectrum 1 weight 0.10000E+01 volume 0.76082E-03 ppm1 7.178 ppm2 3.079 CV 1 ASSI { 1531} (( segid " " and resid 90 and name HN )) (( segid " " and resid 89 and name HB3 )) 4.500 2.600 1.500 peak 1531 spectrum 1 weight 0.10000E+01 volume 0.61436E-03 ppm1 7.178 ppm2 2.615 CV 1 ASSI { 1540} (( segid " " and resid 91 and name HN )) (( segid " " and resid 67 and name HA )) 2.900 1.000 1.000 peak 1540 spectrum 1 weight 0.10000E+01 volume 0.25846E-02 ppm1 8.882 ppm2 4.832 CV 1 ASSI { 1543} (( segid " " and resid 91 and name HN )) ( segid " " and resid 90 and name HD2%) 3.500 1.500 1.500 peak 1543 spectrum 1 weight 0.10000E+01 volume 0.16848E-02 ppm1 8.883 ppm2 0.875 CV 1 OR { 1543} (( segid " " and resid 91 and name HN )) ( segid " " and resid 90 and name HD1%) ASSI { 1546} (( segid " " and resid 92 and name HN )) (( segid " " and resid 68 and name HA )) 3.100 1.200 1.200 peak 1546 spectrum 1 weight 0.10000E+01 volume 0.17983E-02 ppm1 8.199 ppm2 5.471 CV 1 ASSI { 1547} (( segid " " and resid 92 and name HN )) (( segid " " and resid 91 and name HA )) 3.300 1.400 1.400 peak 1547 spectrum 1 weight 0.10000E+01 volume 0.10047E-02 ppm1 8.199 ppm2 5.263 CV 1 ASSI { 1548} (( segid " " and resid 92 and name HN )) (( segid " " and resid 90 and name HA )) 3.900 1.900 1.900 peak 1548 spectrum 1 weight 0.10000E+01 volume 0.16554E-02 ppm1 8.199 ppm2 3.982 CV 1 ASSI { 1549} (( segid " " and resid 151 and name HN )) (( segid " " and resid 152 and name HA )) 4.200 2.200 1.800 peak 1549 spectrum 1 weight 0.10000E+01 volume 0.14525E-02 ppm1 8.195 ppm2 4.344 CV 1 ASSI { 1551} (( segid " " and resid 92 and name HN )) (( segid " " and resid 91 and name HB2 )) 3.200 1.300 1.300 peak 1551 spectrum 1 weight 0.10000E+01 volume 0.27154E-02 ppm1 8.199 ppm2 1.808 CV 1 OR { 1551} (( segid " " and resid 92 and name HN )) (( segid " " and resid 91 and name HG2 )) OR { 1551} (( segid " " and resid 92 and name HN )) (( segid " " and resid 91 and name HB3 )) ASSI { 1552} (( segid " " and resid 92 and name HN )) (( segid " " and resid 90 and name HG )) 3.100 1.200 1.200 peak 1552 spectrum 1 weight 0.10000E+01 volume 0.17088E-02 ppm1 8.199 ppm2 1.696 CV 1 ASSI { 1554} (( segid " " and resid 92 and name HN )) ( segid " " and resid 90 and name HD1%) 3.200 1.300 1.300 peak 1554 spectrum 1 weight 0.10000E+01 volume 0.18690E-02 ppm1 8.199 ppm2 0.879 CV 1 OR { 1554} (( segid " " and resid 92 and name HN )) ( segid " " and resid 90 and name HD2%) ASSI { 1557} (( segid " " and resid 93 and name HN )) (( segid " " and resid 94 and name HN )) 4.500 2.500 1.500 peak 1557 spectrum 1 weight 0.10000E+01 volume 0.52722E-03 ppm1 8.179 ppm2 8.457 CV 1 ASSI { 1558} (( segid " " and resid 93 and name HN )) (( segid " " and resid 118 and name HA )) 3.000 1.100 1.100 peak 1558 spectrum 1 weight 0.10000E+01 volume 0.13510E-02 ppm1 8.179 ppm2 5.403 CV 1 ASSI { 1560} (( segid " " and resid 93 and name HN )) (( segid " " and resid 92 and name HD2 )) 3.400 1.500 1.500 peak 1560 spectrum 1 weight 0.10000E+01 volume 0.13076E-02 ppm1 8.179 ppm2 6.825 CV 1 ASSI { 1562} (( segid " " and resid 93 and name HN )) (( segid " " and resid 92 and name HB2 )) 5.000 3.100 1.000 peak 1562 spectrum 1 weight 0.10000E+01 volume 0.57137E-03 ppm1 8.178 ppm2 3.100 CV 1 ASSI { 1563} (( segid " " and resid 93 and name HN )) (( segid " " and resid 92 and name HB3 )) 4.600 2.700 1.400 peak 1563 spectrum 1 weight 0.10000E+01 volume 0.56711E-03 ppm1 8.178 ppm2 3.022 CV 1 ASSI { 1566} (( segid " " and resid 94 and name HN )) (( segid " " and resid 95 and name HN )) 4.300 2.300 1.700 peak 1566 spectrum 1 weight 0.10000E+01 volume 0.55258E-03 ppm1 8.467 ppm2 8.932 CV 1 ASSI { 1569} (( segid " " and resid 94 and name HN )) (( segid " " and resid 93 and name HA )) 2.300 0.700 0.700 peak 1569 spectrum 1 weight 0.10000E+01 volume 0.52241E-02 ppm1 8.467 ppm2 5.273 CV 1 ASSI { 1570} (( segid " " and resid 94 and name HN )) (( segid " " and resid 70 and name HA )) 3.300 1.400 1.400 peak 1570 spectrum 1 weight 0.10000E+01 volume 0.86885E-03 ppm1 8.467 ppm2 4.754 CV 1 ASSI { 1572} (( segid " " and resid 94 and name HN )) (( segid " " and resid 93 and name HB2 )) 4.300 2.300 1.700 peak 1572 spectrum 1 weight 0.10000E+01 volume 0.74228E-03 ppm1 8.467 ppm2 2.002 CV 1 ASSI { 1573} (( segid " " and resid 94 and name HN )) (( segid " " and resid 93 and name HG )) 3.300 1.300 1.300 peak 1573 spectrum 1 weight 0.10000E+01 volume 0.12957E-02 ppm1 8.467 ppm2 1.368 CV 1 ASSI { 1578} (( segid " " and resid 95 and name HN )) (( segid " " and resid 119 and name HN )) 3.800 1.800 1.800 peak 1578 spectrum 1 weight 0.10000E+01 volume 0.97563E-03 ppm1 8.938 ppm2 8.197 CV 1 ASSI { 1579} (( segid " " and resid 95 and name HN )) (( segid " " and resid 94 and name HA )) 2.300 0.700 0.700 peak 1579 spectrum 1 weight 0.10000E+01 volume 0.47633E-02 ppm1 8.939 ppm2 5.409 CV 1 ASSI { 1580} (( segid " " and resid 95 and name HN )) (( segid " " and resid 94 and name HB2 )) 4.800 2.900 1.200 peak 1580 spectrum 1 weight 0.10000E+01 volume 0.45324E-03 ppm1 8.939 ppm2 3.407 CV 1 ASSI { 1584} (( segid " " and resid 95 and name HN )) ( segid " " and resid 118 and name HD2%) 3.700 1.700 1.700 peak 1584 spectrum 1 weight 0.10000E+01 volume 0.97443E-03 ppm1 8.939 ppm2 0.885 CV 1 ASSI { 1585} (( segid " " and resid 95 and name HN )) ( segid " " and resid 95 and name HD2%) 3.500 1.600 1.600 peak 1585 spectrum 1 weight 0.10000E+01 volume 0.21174E-02 ppm1 8.939 ppm2 0.764 CV 1 OR { 1585} (( segid " " and resid 95 and name HN )) ( segid " " and resid 95 and name HD1%) ASSI { 1586} (( segid " " and resid 96 and name HN )) (( segid " " and resid 95 and name HN )) 2.600 0.900 0.900 peak 1586 spectrum 1 weight 0.10000E+01 volume 0.34270E-02 ppm1 8.502 ppm2 8.935 CV 1 ASSI { 1588} (( segid " " and resid 96 and name HN )) (( segid " " and resid 96 and name HA )) 2.900 1.100 1.100 peak 1588 spectrum 1 weight 0.10000E+01 volume 0.19945E-02 ppm1 8.502 ppm2 4.326 CV 1 ASSI { 1589} (( segid " " and resid 96 and name HN )) (( segid " " and resid 95 and name HA )) 3.000 1.100 1.100 peak 1589 spectrum 1 weight 0.10000E+01 volume 0.20025E-02 ppm1 8.502 ppm2 4.229 CV 1 ASSI { 1590} (( segid " " and resid 96 and name HN )) (( segid " " and resid 94 and name HA )) 3.900 1.900 1.900 peak 1590 spectrum 1 weight 0.10000E+01 volume 0.14846E-02 ppm1 8.502 ppm2 5.406 CV 1 ASSI { 1591} (( segid " " and resid 96 and name HN )) (( segid " " and resid 123 and name HA )) 3.500 3.500 2.500 peak 1591 spectrum 1 weight 0.10000E+01 volume 0.24952E-02 ppm1 8.502 ppm2 4.756 CV 1 ASSI { 1594} (( segid " " and resid 96 and name HN )) (( segid " " and resid 119 and name HB3 )) 4.200 2.200 1.800 peak 1594 spectrum 1 weight 0.10000E+01 volume 0.44723E-03 ppm1 8.502 ppm2 2.684 CV 1 ASSI { 1595} (( segid " " and resid 96 and name HN )) (( segid " " and resid 95 and name HB2 )) 4.000 2.000 2.000 peak 1595 spectrum 1 weight 0.10000E+01 volume 0.52787E-03 ppm1 8.502 ppm2 1.879 CV 1 ASSI { 1600} (( segid " " and resid 97 and name HN )) (( segid " " and resid 96 and name HA )) 2.400 0.700 0.700 peak 1600 spectrum 1 weight 0.10000E+01 volume 0.40438E-02 ppm1 8.882 ppm2 4.327 CV 1 ASSI { 1601} (( segid " " and resid 97 and name HN )) (( segid " " and resid 96 and name HB2 )) 3.800 1.800 1.800 peak 1601 spectrum 1 weight 0.10000E+01 volume 0.91500E-03 ppm1 8.882 ppm2 3.946 CV 1 ASSI { 1604} (( segid " " and resid 97 and name HN )) (( segid " " and resid 124 and name HG3 )) 4.500 2.600 1.500 peak 1604 spectrum 1 weight 0.10000E+01 volume 0.66752E-03 ppm1 8.882 ppm2 2.380 CV 1 OR { 1604} (( segid " " and resid 97 and name HN )) (( segid " " and resid 124 and name HG2 )) ASSI { 1605} (( segid " " and resid 92 and name HN )) (( segid " " and resid 91 and name HN )) 2.200 0.600 0.600 peak 1605 spectrum 1 weight 0.10000E+01 volume 0.43108E-02 ppm1 8.199 ppm2 8.881 CV 1 ASSI { 1607} (( segid " " and resid 98 and name HN )) (( segid " " and resid 98 and name HD21)) 3.500 1.500 1.500 peak 1607 spectrum 1 weight 0.10000E+01 volume 0.17115E-02 ppm1 7.423 ppm2 7.592 CV 1 ASSI { 1608} (( segid " " and resid 98 and name HN )) (( segid " " and resid 99 and name HN )) 4.100 2.100 1.900 peak 1608 spectrum 1 weight 0.10000E+01 volume 0.11155E-02 ppm1 7.423 ppm2 7.909 CV 1 ASSI { 1609} (( segid " " and resid 98 and name HN )) (( segid " " and resid 97 and name HN )) 3.000 1.100 1.100 peak 1609 spectrum 1 weight 0.10000E+01 volume 0.18664E-02 ppm1 7.423 ppm2 8.886 CV 1 ASSI { 1610} (( segid " " and resid 98 and name HN )) (( segid " " and resid 98 and name HD22)) 3.600 1.700 1.700 peak 1610 spectrum 1 weight 0.10000E+01 volume 0.21761E-02 ppm1 7.423 ppm2 6.299 CV 1 ASSI { 1611} (( segid " " and resid 98 and name HN )) (( segid " " and resid 123 and name HA )) 3.500 1.500 1.500 peak 1611 spectrum 1 weight 0.10000E+01 volume 0.88338E-03 ppm1 7.424 ppm2 4.723 CV 1 ASSI { 1612} (( segid " " and resid 98 and name HN )) (( segid " " and resid 96 and name HA )) 3.900 1.900 1.900 peak 1612 spectrum 1 weight 0.10000E+01 volume 0.81063E-03 ppm1 7.424 ppm2 4.322 CV 1 ASSI { 1614} (( segid " " and resid 98 and name HN )) (( segid " " and resid 97 and name HA1 )) 3.300 1.300 1.300 peak 1614 spectrum 1 weight 0.10000E+01 volume 0.12270E-02 ppm1 7.424 ppm2 4.089 CV 1 ASSI { 1615} (( segid " " and resid 98 and name HN )) (( segid " " and resid 97 and name HA2 )) 3.600 1.600 1.600 peak 1615 spectrum 1 weight 0.10000E+01 volume 0.14859E-02 ppm1 7.424 ppm2 3.797 CV 1 ASSI { 1616} (( segid " " and resid 98 and name HN )) (( segid " " and resid 124 and name HG3 )) 3.500 1.500 1.500 peak 1616 spectrum 1 weight 0.10000E+01 volume 0.14592E-02 ppm1 7.424 ppm2 2.370 CV 1 OR { 1616} (( segid " " and resid 98 and name HN )) (( segid " " and resid 124 and name HG2 )) ASSI { 1617} (( segid " " and resid 98 and name HN )) (( segid " " and resid 95 and name HB2 )) 4.600 2.600 1.400 peak 1617 spectrum 1 weight 0.10000E+01 volume 0.57407E-03 ppm1 7.424 ppm2 1.879 CV 1 ASSI { 1620} (( segid " " and resid 98 and name HN )) (( segid " " and resid 100 and name HG13)) 4.700 2.700 1.300 peak 1620 spectrum 1 weight 0.10000E+01 volume 0.57407E-03 ppm1 7.424 ppm2 1.294 CV 1 ASSI { 1622} (( segid " " and resid 99 and name HN )) (( segid " " and resid 76 and name HN )) 3.300 1.400 1.400 peak 1622 spectrum 1 weight 0.10000E+01 volume 0.93319E-03 ppm1 7.912 ppm2 8.909 CV 1 ASSI { 1626} (( segid " " and resid 99 and name HN )) (( segid " " and resid 98 and name HA )) 2.800 1.000 1.000 peak 1626 spectrum 1 weight 0.10000E+01 volume 0.27355E-02 ppm1 7.913 ppm2 5.393 CV 1 ASSI { 1627} (( segid " " and resid 99 and name HN )) (( segid " " and resid 77 and name HA )) 3.900 1.900 1.900 peak 1627 spectrum 1 weight 0.10000E+01 volume 0.57913E-03 ppm1 7.913 ppm2 4.965 CV 1 ASSI { 1629} (( segid " " and resid 99 and name HN )) (( segid " " and resid 77 and name HB3 )) 3.900 1.900 1.900 peak 1629 spectrum 1 weight 0.10000E+01 volume 0.52306E-03 ppm1 7.913 ppm2 3.690 CV 1 ASSI { 1630} (( segid " " and resid 99 and name HN )) (( segid " " and resid 98 and name HB2 )) 3.100 1.200 1.200 peak 1630 spectrum 1 weight 0.10000E+01 volume 0.46672E-02 ppm1 7.913 ppm2 3.020 CV 1 ASSI { 1631} (( segid " " and resid 99 and name HN )) (( segid " " and resid 98 and name HB3 )) 2.400 0.700 0.700 peak 1631 spectrum 1 weight 0.10000E+01 volume 0.29718E-02 ppm1 7.913 ppm2 2.778 CV 1 ASSI { 1633} (( segid " " and resid 99 and name HN )) ( segid " " and resid 76 and name HG2%) 4.300 2.400 1.700 peak 1633 spectrum 1 weight 0.10000E+01 volume 0.52602E-03 ppm1 7.912 ppm2 0.944 CV 1 ASSI { 1636} (( segid " " and resid 100 and name HN )) (( segid " " and resid 99 and name HN )) 3.300 1.400 1.400 peak 1636 spectrum 1 weight 0.10000E+01 volume 0.12236E-02 ppm1 6.619 ppm2 7.914 CV 1 ASSI { 1637} (( segid " " and resid 100 and name HN )) (( segid " " and resid 125 and name HN )) 4.500 2.500 1.500 peak 1637 spectrum 1 weight 0.10000E+01 volume 0.45497E-03 ppm1 6.619 ppm2 8.166 CV 1 ASSI { 1638} (( segid " " and resid 100 and name HN )) (( segid " " and resid 101 and name HN )) 3.800 1.800 1.800 peak 1638 spectrum 1 weight 0.10000E+01 volume 0.62293E-03 ppm1 6.619 ppm2 8.943 CV 1 ASSI { 1639} (( segid " " and resid 100 and name HN )) (( segid " " and resid 99 and name HA )) 2.300 0.600 0.600 peak 1639 spectrum 1 weight 0.10000E+01 volume 0.60288E-02 ppm1 6.619 ppm2 4.696 CV 1 ASSI { 1640} (( segid " " and resid 100 and name HN )) (( segid " " and resid 123 and name HB2 )) 4.100 2.100 1.900 peak 1640 spectrum 1 weight 0.10000E+01 volume 0.12665E-02 ppm1 6.619 ppm2 3.606 CV 1 ASSI { 1642} (( segid " " and resid 100 and name HN )) (( segid " " and resid 98 and name HB3 )) 4.100 2.100 1.900 peak 1642 spectrum 1 weight 0.10000E+01 volume 0.56205E-03 ppm1 6.619 ppm2 2.779 CV 1 ASSI { 1643} (( segid " " and resid 100 and name HN )) (( segid " " and resid 124 and name HG2 )) 3.700 1.700 1.700 peak 1643 spectrum 1 weight 0.10000E+01 volume 0.62388E-03 ppm1 6.619 ppm2 2.365 CV 1 OR { 1643} (( segid " " and resid 100 and name HN )) (( segid " " and resid 124 and name HG3 )) ASSI { 1644} (( segid " " and resid 100 and name HN )) (( segid " " and resid 99 and name HB2 )) 4.300 2.300 1.700 peak 1644 spectrum 1 weight 0.10000E+01 volume 0.78633E-03 ppm1 6.619 ppm2 1.951 CV 1 ASSI { 1647} (( segid " " and resid 100 and name HN )) (( segid " " and resid 100 and name HG13)) 3.500 1.500 1.500 peak 1647 spectrum 1 weight 0.10000E+01 volume 0.28489E-02 ppm1 6.619 ppm2 1.285 CV 1 ASSI { 1649} (( segid " " and resid 101 and name HN )) (( segid " " and resid 102 and name HN )) 2.600 0.800 0.800 peak 1649 spectrum 1 weight 0.10000E+01 volume 0.45858E-02 ppm1 8.946 ppm2 7.357 CV 1 ASSI { 1651} (( segid " " and resid 101 and name HN )) (( segid " " and resid 102 and name HA )) 4.500 2.500 1.500 peak 1651 spectrum 1 weight 0.10000E+01 volume 0.53374E-03 ppm1 8.946 ppm2 4.856 CV 1 ASSI { 1657} (( segid " " and resid 102 and name HN )) (( segid " " and resid 103 and name HN )) 4.100 2.100 1.900 peak 1657 spectrum 1 weight 0.10000E+01 volume 0.72249E-03 ppm1 7.363 ppm2 8.461 CV 1 ASSI { 1661} (( segid " " and resid 102 and name HN )) (( segid " " and resid 101 and name HB2 )) 3.600 1.600 1.600 peak 1661 spectrum 1 weight 0.10000E+01 volume 0.15727E-02 ppm1 7.361 ppm2 1.794 CV 1 ASSI { 1662} (( segid " " and resid 102 and name HN )) (( segid " " and resid 101 and name HB3 )) 2.800 0.900 0.900 peak 1662 spectrum 1 weight 0.10000E+01 volume 0.19438E-02 ppm1 7.361 ppm2 1.731 CV 1 ASSI { 1663} (( segid " " and resid 102 and name HN )) (( segid " " and resid 101 and name HD2 )) 4.200 2.200 1.800 peak 1663 spectrum 1 weight 0.10000E+01 volume 0.11755E-02 ppm1 7.361 ppm2 1.633 CV 1 OR { 1663} (( segid " " and resid 102 and name HN )) (( segid " " and resid 101 and name HD3 )) ASSI { 1666} (( segid " " and resid 102 and name HN )) ( segid " " and resid 128 and name HD1%) 4.900 3.000 1.100 peak 1666 spectrum 1 weight 0.10000E+01 volume 0.47500E-03 ppm1 7.361 ppm2 1.086 CV 1 ASSI { 1670} (( segid " " and resid 103 and name HN )) (( segid " " and resid 102 and name HA )) 2.200 0.600 0.600 peak 1670 spectrum 1 weight 0.10000E+01 volume 0.69794E-02 ppm1 8.451 ppm2 4.864 CV 1 ASSI { 1672} (( segid " " and resid 103 and name HN )) (( segid " " and resid 102 and name HB2 )) 2.900 1.100 1.100 peak 1672 spectrum 1 weight 0.10000E+01 volume 0.40331E-02 ppm1 8.451 ppm2 2.943 CV 1 ASSI { 1674} (( segid " " and resid 103 and name HN )) ( segid " " and resid 128 and name HD2%) 4.500 2.500 1.500 peak 1674 spectrum 1 weight 0.10000E+01 volume 0.60409E-03 ppm1 8.451 ppm2 0.973 CV 1 ASSI { 1675} (( segid " " and resid 103 and name HN )) ( segid " " and resid 103 and name HD1%) 4.000 2.000 2.000 peak 1675 spectrum 1 weight 0.10000E+01 volume 0.21013E-02 ppm1 8.451 ppm2 0.878 CV 1 ASSI { 1677} (( segid " " and resid 103 and name HN )) ( segid " " and resid 103 and name HD2%) 3.600 1.600 1.600 peak 1677 spectrum 1 weight 0.10000E+01 volume 0.20266E-02 ppm1 8.451 ppm2 0.708 CV 1 ASSI { 1678} (( segid " " and resid 104 and name HN )) (( segid " " and resid 103 and name HN )) 2.400 0.700 0.700 peak 1678 spectrum 1 weight 0.10000E+01 volume 0.45858E-02 ppm1 8.332 ppm2 8.447 CV 1 ASSI { 1681} (( segid " " and resid 104 and name HN )) (( segid " " and resid 106 and name HN )) 4.300 2.300 1.700 peak 1681 spectrum 1 weight 0.10000E+01 volume 0.42414E-03 ppm1 8.332 ppm2 7.123 CV 1 ASSI { 1682} (( segid " " and resid 104 and name HN )) (( segid " " and resid 102 and name HA )) 4.000 2.000 2.000 peak 1682 spectrum 1 weight 0.10000E+01 volume 0.12888E-02 ppm1 8.332 ppm2 4.861 CV 1 ASSI { 1684} (( segid " " and resid 104 and name HN )) (( segid " " and resid 102 and name HB2 )) 3.300 1.300 1.300 peak 1684 spectrum 1 weight 0.10000E+01 volume 0.17689E-02 ppm1 8.332 ppm2 2.943 CV 1 ASSI { 1685} (( segid " " and resid 104 and name HN )) (( segid " " and resid 102 and name HB3 )) 3.200 1.300 1.300 peak 1685 spectrum 1 weight 0.10000E+01 volume 0.16194E-02 ppm1 8.332 ppm2 2.770 CV 1 ASSI { 1686} (( segid " " and resid 104 and name HN )) (( segid " " and resid 103 and name HB2 )) 2.700 0.900 0.900 peak 1686 spectrum 1 weight 0.10000E+01 volume 0.34857E-02 ppm1 8.332 ppm2 1.715 CV 1 OR { 1686} (( segid " " and resid 104 and name HN )) (( segid " " and resid 103 and name HG )) ASSI { 1688} (( segid " " and resid 104 and name HN )) ( segid " " and resid 105 and name HG2%) 5.000 3.100 1.000 peak 1688 spectrum 1 weight 0.10000E+01 volume 0.54401E-03 ppm1 8.332 ppm2 1.376 CV 1 ASSI { 1689} (( segid " " and resid 104 and name HN )) ( segid " " and resid 103 and name HD1%) 2.900 2.900 3.100 peak 1689 spectrum 1 weight 0.10000E+01 volume 0.84826E-03 ppm1 8.332 ppm2 0.879 CV 1 ASSI { 1691} (( segid " " and resid 104 and name HN )) ( segid " " and resid 103 and name HD2%) 4.900 2.900 1.100 peak 1691 spectrum 1 weight 0.10000E+01 volume 0.71557E-03 ppm1 8.332 ppm2 0.706 CV 1 ASSI { 1692} (( segid " " and resid 105 and name HN )) (( segid " " and resid 104 and name HN )) 2.600 0.800 0.800 peak 1692 spectrum 1 weight 0.10000E+01 volume 0.38395E-02 ppm1 7.817 ppm2 8.332 CV 1 ASSI { 1693} (( segid " " and resid 105 and name HN )) (( segid " " and resid 103 and name HN )) 4.000 2.000 2.000 peak 1693 spectrum 1 weight 0.10000E+01 volume 0.71823E-03 ppm1 7.817 ppm2 8.448 CV 1 ASSI { 1695} (( segid " " and resid 105 and name HN )) (( segid " " and resid 102 and name HN )) 3.700 1.700 1.700 peak 1695 spectrum 1 weight 0.10000E+01 volume 0.65991E-03 ppm1 7.817 ppm2 7.361 CV 1 ASSI { 1696} (( segid " " and resid 105 and name HN )) (( segid " " and resid 106 and name HN )) 2.400 0.700 0.700 peak 1696 spectrum 1 weight 0.10000E+01 volume 0.35872E-02 ppm1 7.817 ppm2 7.129 CV 1 ASSI { 1697} (( segid " " and resid 105 and name HN )) (( segid " " and resid 102 and name HA )) 3.900 1.900 1.900 peak 1697 spectrum 1 weight 0.10000E+01 volume 0.95012E-03 ppm1 7.816 ppm2 4.845 CV 1 ASSI { 1699} (( segid " " and resid 105 and name HN )) (( segid " " and resid 104 and name HB3 )) 3.000 1.100 1.100 peak 1699 spectrum 1 weight 0.10000E+01 volume 0.28663E-02 ppm1 7.816 ppm2 3.930 CV 1 OR { 1699} (( segid " " and resid 105 and name HN )) (( segid " " and resid 104 and name HB2 )) ASSI { 1700} (( segid " " and resid 105 and name HN )) (( segid " " and resid 102 and name HB2 )) 3.800 1.800 1.800 peak 1700 spectrum 1 weight 0.10000E+01 volume 0.82396E-03 ppm1 7.816 ppm2 2.931 CV 1 ASSI { 1701} (( segid " " and resid 105 and name HN )) (( segid " " and resid 102 and name HB3 )) 4.100 2.100 1.900 peak 1701 spectrum 1 weight 0.10000E+01 volume 0.56711E-03 ppm1 7.816 ppm2 2.762 CV 1 ASSI { 1704} (( segid " " and resid 105 and name HN )) (( segid " " and resid 106 and name HG13)) 5.000 3.100 1.000 peak 1704 spectrum 1 weight 0.10000E+01 volume 0.77420E-03 ppm1 7.816 ppm2 1.246 CV 1 ASSI { 1706} (( segid " " and resid 106 and name HN )) (( segid " " and resid 107 and name HN )) 2.200 0.600 0.600 peak 1706 spectrum 1 weight 0.10000E+01 volume 0.48461E-02 ppm1 7.131 ppm2 7.477 CV 1 ASSI { 1709} (( segid " " and resid 106 and name HN )) (( segid " " and resid 105 and name HB )) 2.600 0.900 0.900 peak 1709 spectrum 1 weight 0.10000E+01 volume 0.21214E-02 ppm1 7.131 ppm2 4.246 CV 1 ASSI { 1710} (( segid " " and resid 106 and name HN )) (( segid " " and resid 103 and name HA )) 3.200 1.300 1.300 peak 1710 spectrum 1 weight 0.10000E+01 volume 0.21868E-02 ppm1 7.131 ppm2 3.973 CV 1 ASSI { 1711} (( segid " " and resid 106 and name HN )) (( segid " " and resid 108 and name HD2 )) 4.300 2.300 1.700 peak 1711 spectrum 1 weight 0.10000E+01 volume 0.52241E-03 ppm1 7.131 ppm2 3.828 CV 1 ASSI { 1712} (( segid " " and resid 106 and name HN )) (( segid " " and resid 108 and name HD3 )) 5.000 3.200 1.000 peak 1712 spectrum 1 weight 0.10000E+01 volume 0.47994E-03 ppm1 7.131 ppm2 3.429 CV 1 ASSI { 1714} (( segid " " and resid 106 and name HN )) ( segid " " and resid 105 and name HG2%) 3.800 1.800 1.800 peak 1714 spectrum 1 weight 0.10000E+01 volume 0.12030E-02 ppm1 7.131 ppm2 1.367 CV 1 ASSI { 1715} (( segid " " and resid 106 and name HN )) (( segid " " and resid 106 and name HG13)) 2.900 1.000 1.000 peak 1715 spectrum 1 weight 0.10000E+01 volume 0.40291E-02 ppm1 7.131 ppm2 1.251 CV 1 ASSI { 1717} (( segid " " and resid 107 and name HN )) (( segid " " and resid 105 and name HN )) 3.800 1.800 1.800 peak 1717 spectrum 1 weight 0.10000E+01 volume 0.70956E-03 ppm1 7.481 ppm2 7.816 CV 1 ASSI { 1719} (( segid " " and resid 107 and name HN )) (( segid " " and resid 106 and name HA )) 2.900 1.000 1.000 peak 1719 spectrum 1 weight 0.10000E+01 volume 0.16287E-02 ppm1 7.480 ppm2 4.324 CV 1 ASSI { 1720} (( segid " " and resid 107 and name HN )) (( segid " " and resid 104 and name HA )) 3.200 1.300 1.300 peak 1720 spectrum 1 weight 0.10000E+01 volume 0.18784E-02 ppm1 7.480 ppm2 4.203 CV 1 ASSI { 1721} (( segid " " and resid 107 and name HN )) (( segid " " and resid 108 and name HD2 )) 2.200 0.600 0.600 peak 1721 spectrum 1 weight 0.10000E+01 volume 0.33589E-02 ppm1 7.480 ppm2 3.831 CV 1 ASSI { 1722} (( segid " " and resid 107 and name HN )) (( segid " " and resid 108 and name HD3 )) 2.700 0.900 0.900 peak 1722 spectrum 1 weight 0.10000E+01 volume 0.24511E-02 ppm1 7.480 ppm2 3.435 CV 1 ASSI { 1725} (( segid " " and resid 107 and name HN )) (( segid " " and resid 106 and name HG12)) 3.700 1.700 1.700 peak 1725 spectrum 1 weight 0.10000E+01 volume 0.12253E-02 ppm1 7.480 ppm2 1.512 CV 1 ASSI { 1727} (( segid " " and resid 107 and name HN )) (( segid " " and resid 106 and name HG13)) 3.500 1.500 1.500 peak 1727 spectrum 1 weight 0.10000E+01 volume 0.10966E-02 ppm1 7.480 ppm2 1.245 CV 1 ASSI { 1728} (( segid " " and resid 107 and name HN )) ( segid " " and resid 138 and name HD2%) 4.300 2.300 1.700 peak 1728 spectrum 1 weight 0.10000E+01 volume 0.89075E-03 ppm1 7.480 ppm2 0.929 CV 1 ASSI { 1730} (( segid " " and resid 109 and name HN )) (( segid " " and resid 110 and name HN )) 2.400 0.700 0.700 peak 1730 spectrum 1 weight 0.10000E+01 volume 0.38008E-02 ppm1 8.102 ppm2 8.328 CV 1 ASSI { 1731} (( segid " " and resid 109 and name HN )) (( segid " " and resid 106 and name HA )) 3.600 1.600 1.600 peak 1731 spectrum 1 weight 0.10000E+01 volume 0.80822E-03 ppm1 8.102 ppm2 4.318 CV 1 ASSI { 1732} (( segid " " and resid 109 and name HN )) (( segid " " and resid 108 and name HD2 )) 3.100 1.200 1.200 peak 1732 spectrum 1 weight 0.10000E+01 volume 0.66592E-03 ppm1 8.102 ppm2 3.817 CV 1 ASSI { 1733} (( segid " " and resid 109 and name HN )) (( segid " " and resid 108 and name HD3 )) 3.800 1.800 1.800 peak 1733 spectrum 1 weight 0.10000E+01 volume 0.88699E-03 ppm1 8.102 ppm2 3.437 CV 1 ASSI { 1734} (( segid " " and resid 109 and name HN )) (( segid " " and resid 108 and name HG2 )) 3.900 1.900 1.900 peak 1734 spectrum 1 weight 0.10000E+01 volume 0.10157E-02 ppm1 8.102 ppm2 2.047 CV 1 OR { 1734} (( segid " " and resid 109 and name HN )) (( segid " " and resid 108 and name HG3 )) ASSI { 1736} (( segid " " and resid 109 and name HN )) (( segid " " and resid 109 and name HG )) 2.100 0.600 0.600 peak 1736 spectrum 1 weight 0.10000E+01 volume 0.55388E-02 ppm1 8.102 ppm2 1.740 CV 1 ASSI { 1743} (( segid " " and resid 110 and name HN )) (( segid " " and resid 112 and name HN )) 4.100 2.100 1.900 peak 1743 spectrum 1 weight 0.10000E+01 volume 0.49329E-03 ppm1 8.326 ppm2 7.190 CV 1 ASSI { 1744} (( segid " " and resid 110 and name HN )) (( segid " " and resid 111 and name HN )) 2.500 0.800 0.800 peak 1744 spectrum 1 weight 0.10000E+01 volume 0.34604E-02 ppm1 8.326 ppm2 6.971 CV 1 ASSI { 1745} (( segid " " and resid 110 and name HN )) (( segid " " and resid 141 and name HE22)) 4.600 2.700 1.400 peak 1745 spectrum 1 weight 0.10000E+01 volume 0.49142E-03 ppm1 8.326 ppm2 6.036 CV 1 ASSI { 1746} (( segid " " and resid 110 and name HN )) (( segid " " and resid 108 and name HA )) 3.600 1.600 1.600 peak 1746 spectrum 1 weight 0.10000E+01 volume 0.67794E-03 ppm1 8.326 ppm2 4.424 CV 1 ASSI { 1747} (( segid " " and resid 110 and name HN )) (( segid " " and resid 109 and name HB2 )) 2.800 1.000 1.000 peak 1747 spectrum 1 weight 0.10000E+01 volume 0.14846E-02 ppm1 8.327 ppm2 2.153 CV 1 ASSI { 1749} (( segid " " and resid 110 and name HN )) (( segid " " and resid 110 and name HG3 )) 3.500 1.500 1.500 peak 1749 spectrum 1 weight 0.10000E+01 volume 0.29344E-02 ppm1 8.327 ppm2 1.534 CV 1 ASSI { 1752} (( segid " " and resid 110 and name HN )) ( segid " " and resid 138 and name HD2%) 4.300 2.300 1.700 peak 1752 spectrum 1 weight 0.10000E+01 volume 0.55178E-03 ppm1 8.327 ppm2 0.931 CV 1 ASSI { 1755} (( segid " " and resid 111 and name HN )) (( segid " " and resid 112 and name HN )) 2.400 0.700 0.700 peak 1755 spectrum 1 weight 0.10000E+01 volume 0.41893E-02 ppm1 6.980 ppm2 7.196 CV 1 ASSI { 1757} (( segid " " and resid 111 and name HN )) (( segid " " and resid 108 and name HA )) 3.800 1.800 1.800 peak 1757 spectrum 1 weight 0.10000E+01 volume 0.53279E-03 ppm1 6.979 ppm2 4.407 CV 1 ASSI { 1759} (( segid " " and resid 111 and name HN )) ( segid " " and resid 84 and name HB% ) 4.000 2.000 2.000 peak 1759 spectrum 1 weight 0.10000E+01 volume 0.16795E-02 ppm1 6.980 ppm2 1.337 CV 1 ASSI { 1760} (( segid " " and resid 111 and name HN )) (( segid " " and resid 110 and name HB3 )) 3.700 1.700 1.700 peak 1760 spectrum 1 weight 0.10000E+01 volume 0.14925E-02 ppm1 6.980 ppm2 1.934 CV 1 ASSI { 1764} (( segid " " and resid 112 and name HN )) (( segid " " and resid 113 and name HN )) 4.000 2.000 2.000 peak 1764 spectrum 1 weight 0.10000E+01 volume 0.87246E-03 ppm1 7.197 ppm2 8.552 CV 1 ASSI { 1766} (( segid " " and resid 112 and name HN )) (( segid " " and resid 141 and name HE21)) 3.400 1.500 1.500 peak 1766 spectrum 1 weight 0.10000E+01 volume 0.10254E-02 ppm1 7.197 ppm2 7.624 CV 1 ASSI { 1770} (( segid " " and resid 112 and name HN )) (( segid " " and resid 141 and name HE22)) 3.500 1.500 1.500 peak 1770 spectrum 1 weight 0.10000E+01 volume 0.91620E-03 ppm1 7.197 ppm2 6.028 CV 1 ASSI { 1771} (( segid " " and resid 112 and name HN )) (( segid " " and resid 111 and name HA )) 3.200 1.300 1.300 peak 1771 spectrum 1 weight 0.10000E+01 volume 0.16140E-02 ppm1 7.197 ppm2 4.174 CV 1 ASSI { 1772} (( segid " " and resid 112 and name HN )) (( segid " " and resid 109 and name HA )) 2.900 1.100 1.100 peak 1772 spectrum 1 weight 0.10000E+01 volume 0.16675E-02 ppm1 7.197 ppm2 3.971 CV 1 ASSI { 1774} (( segid " " and resid 113 and name HN )) (( segid " " and resid 114 and name HN )) 2.600 0.900 0.900 peak 1774 spectrum 1 weight 0.10000E+01 volume 0.25472E-02 ppm1 8.556 ppm2 9.014 CV 1 ASSI { 1776} (( segid " " and resid 113 and name HN )) (( segid " " and resid 115 and name HN )) 4.600 2.600 1.400 peak 1776 spectrum 1 weight 0.10000E+01 volume 0.61611E-03 ppm1 8.556 ppm2 7.003 CV 1 ASSI { 1777} (( segid " " and resid 113 and name HN )) (( segid " " and resid 114 and name HA )) 4.700 2.700 1.300 peak 1777 spectrum 1 weight 0.10000E+01 volume 0.50357E-03 ppm1 8.556 ppm2 4.854 CV 1 ASSI { 1779} (( segid " " and resid 113 and name HN )) (( segid " " and resid 112 and name HA )) 2.000 0.500 0.500 peak 1779 spectrum 1 weight 0.10000E+01 volume 0.11107E-01 ppm1 8.556 ppm2 4.610 CV 1 ASSI { 1780} (( segid " " and resid 113 and name HN )) (( segid " " and resid 88 and name HA )) 3.900 1.900 1.900 peak 1780 spectrum 1 weight 0.10000E+01 volume 0.54055E-03 ppm1 8.556 ppm2 4.191 CV 1 ASSI { 1781} (( segid " " and resid 113 and name HN )) (( segid " " and resid 112 and name HB3 )) 3.700 1.700 1.700 peak 1781 spectrum 1 weight 0.10000E+01 volume 0.10863E-02 ppm1 8.556 ppm2 1.770 CV 1 ASSI { 1783} (( segid " " and resid 113 and name HN )) (( segid " " and resid 115 and name HG )) 4.500 2.500 1.500 peak 1783 spectrum 1 weight 0.10000E+01 volume 0.68045E-03 ppm1 8.556 ppm2 1.349 CV 1 OR { 1783} (( segid " " and resid 113 and name HN )) (( segid " " and resid 115 and name HB3 )) ASSI { 1784} (( segid " " and resid 113 and name HN )) ( segid " " and resid 112 and name HD1%) 5.400 3.600 0.600 peak 1784 spectrum 1 weight 0.10000E+01 volume 0.56976E-03 ppm1 8.556 ppm2 0.956 CV 1 ASSI { 1785} (( segid " " and resid 113 and name HN )) ( segid " " and resid 112 and name HD2%) 3.800 1.800 1.800 peak 1785 spectrum 1 weight 0.10000E+01 volume 0.26086E-02 ppm1 8.556 ppm2 0.845 CV 1 ASSI { 1790} (( segid " " and resid 114 and name HN )) (( segid " " and resid 115 and name HN )) 2.300 0.700 0.700 peak 1790 spectrum 1 weight 0.10000E+01 volume 0.41359E-02 ppm1 9.018 ppm2 7.014 CV 1 ASSI { 1794} (( segid " " and resid 114 and name HN )) (( segid " " and resid 113 and name HA )) 3.100 1.200 1.200 peak 1794 spectrum 1 weight 0.10000E+01 volume 0.13231E-02 ppm1 9.018 ppm2 3.863 CV 1 ASSI { 1795} (( segid " " and resid 114 and name HN )) (( segid " " and resid 112 and name HA )) 3.400 1.400 1.400 peak 1795 spectrum 1 weight 0.10000E+01 volume 0.12288E-02 ppm1 9.018 ppm2 4.605 CV 1 ASSI { 1796} (( segid " " and resid 114 and name HN )) (( segid " " and resid 113 and name HG2 )) 4.400 2.400 1.600 peak 1796 spectrum 1 weight 0.10000E+01 volume 0.42107E-03 ppm1 9.018 ppm2 2.366 CV 1 ASSI { 1797} (( segid " " and resid 114 and name HN )) (( segid " " and resid 113 and name HG3 )) 4.300 2.400 1.700 peak 1797 spectrum 1 weight 0.10000E+01 volume 0.43388E-03 ppm1 9.018 ppm2 2.254 CV 1 ASSI { 1801} (( segid " " and resid 114 and name HN )) (( segid " " and resid 115 and name HG )) 4.200 2.200 1.800 peak 1801 spectrum 1 weight 0.10000E+01 volume 0.87737E-03 ppm1 9.018 ppm2 1.359 CV 1 OR { 1801} (( segid " " and resid 114 and name HN )) (( segid " " and resid 115 and name HB3 )) ASSI { 1806} (( segid " " and resid 115 and name HN )) (( segid " " and resid 112 and name HN )) 4.200 2.200 1.800 peak 1806 spectrum 1 weight 0.10000E+01 volume 0.59637E-03 ppm1 7.018 ppm2 7.190 CV 1 ASSI { 1808} (( segid " " and resid 115 and name HN )) (( segid " " and resid 141 and name HE22)) 4.500 2.500 1.500 peak 1808 spectrum 1 weight 0.10000E+01 volume 0.57407E-03 ppm1 7.018 ppm2 6.030 CV 1 ASSI { 1809} (( segid " " and resid 115 and name HN )) (( segid " " and resid 91 and name HA )) 4.000 2.000 2.000 peak 1809 spectrum 1 weight 0.10000E+01 volume 0.60158E-03 ppm1 7.018 ppm2 5.260 CV 1 ASSI { 1810} (( segid " " and resid 115 and name HN )) (( segid " " and resid 114 and name HA )) 3.200 1.300 1.300 peak 1810 spectrum 1 weight 0.10000E+01 volume 0.16848E-02 ppm1 7.018 ppm2 4.840 CV 1 ASSI { 1811} (( segid " " and resid 115 and name HN )) (( segid " " and resid 113 and name HA )) 3.700 1.700 1.700 peak 1811 spectrum 1 weight 0.10000E+01 volume 0.75721E-03 ppm1 7.018 ppm2 3.869 CV 1 ASSI { 1812} (( segid " " and resid 115 and name HN )) ( segid " " and resid 115 and name HD1%) 3.700 1.700 1.700 peak 1812 spectrum 1 weight 0.10000E+01 volume 0.19518E-02 ppm1 7.018 ppm2 0.848 CV 1 ASSI { 1813} (( segid " " and resid 115 and name HN )) ( segid " " and resid 115 and name HD2%) 3.600 1.600 1.600 peak 1813 spectrum 1 weight 0.10000E+01 volume 0.16501E-02 ppm1 7.018 ppm2 0.771 CV 1 ASSI { 1816} (( segid " " and resid 115 and name HN )) (( segid " " and resid 141 and name HG3 )) 3.300 1.400 1.400 peak 1816 spectrum 1 weight 0.10000E+01 volume 0.10557E-02 ppm1 7.018 ppm2 2.667 CV 1 ASSI { 1817} (( segid " " and resid 115 and name HN )) (( segid " " and resid 141 and name HG2 )) 3.700 1.700 1.700 peak 1817 spectrum 1 weight 0.10000E+01 volume 0.85307E-03 ppm1 7.018 ppm2 2.767 CV 1 ASSI { 1818} (( segid " " and resid 115 and name HN )) (( segid " " and resid 114 and name HB2 )) 3.800 1.800 1.800 peak 1818 spectrum 1 weight 0.10000E+01 volume 0.59542E-03 ppm1 7.018 ppm2 2.836 CV 1 ASSI { 1819} (( segid " " and resid 115 and name HN )) (( segid " " and resid 141 and name HB2 )) 3.700 1.700 1.700 peak 1819 spectrum 1 weight 0.10000E+01 volume 0.41746E-03 ppm1 7.018 ppm2 2.220 CV 1 ASSI { 1821} (( segid " " and resid 116 and name HN )) (( segid " " and resid 115 and name HN )) 4.600 2.600 1.400 peak 1821 spectrum 1 weight 0.10000E+01 volume 0.42774E-03 ppm1 9.005 ppm2 7.009 CV 1 ASSI { 1822} (( segid " " and resid 116 and name HN )) (( segid " " and resid 92 and name HA )) 4.000 2.000 2.000 peak 1822 spectrum 1 weight 0.10000E+01 volume 0.46419E-03 ppm1 9.005 ppm2 5.677 CV 1 ASSI { 1823} (( segid " " and resid 116 and name HN )) (( segid " " and resid 91 and name HA )) 3.000 1.100 1.100 peak 1823 spectrum 1 weight 0.10000E+01 volume 0.29077E-02 ppm1 9.005 ppm2 5.259 CV 1 ASSI { 1824} (( segid " " and resid 116 and name HN )) (( segid " " and resid 115 and name HA )) 2.100 0.500 0.500 peak 1824 spectrum 1 weight 0.10000E+01 volume 0.43522E-02 ppm1 9.005 ppm2 4.131 CV 1 ASSI { 1825} (( segid " " and resid 116 and name HN )) (( segid " " and resid 91 and name HB2 )) 3.100 1.200 1.200 peak 1825 spectrum 1 weight 0.10000E+01 volume 0.12563E-02 ppm1 9.005 ppm2 1.801 CV 1 OR { 1825} (( segid " " and resid 116 and name HN )) (( segid " " and resid 91 and name HB3 )) OR { 1825} (( segid " " and resid 116 and name HN )) (( segid " " and resid 91 and name HG2 )) ASSI { 1826} (( segid " " and resid 116 and name HN )) (( segid " " and resid 116 and name HG2 )) 3.000 1.200 1.200 peak 1826 spectrum 1 weight 0.10000E+01 volume 0.14992E-02 ppm1 9.005 ppm2 1.711 CV 1 OR { 1826} (( segid " " and resid 116 and name HN )) (( segid " " and resid 116 and name HD3 )) OR { 1826} (( segid " " and resid 116 and name HN )) (( segid " " and resid 116 and name HD2 )) ASSI { 1827} (( segid " " and resid 116 and name HN )) (( segid " " and resid 115 and name HB3 )) 3.400 1.400 1.400 peak 1827 spectrum 1 weight 0.10000E+01 volume 0.13604E-02 ppm1 9.005 ppm2 1.357 CV 1 OR { 1827} (( segid " " and resid 116 and name HN )) (( segid " " and resid 115 and name HG )) ASSI { 1828} (( segid " " and resid 116 and name HN )) ( segid " " and resid 115 and name HD2%) 3.700 1.700 1.700 peak 1828 spectrum 1 weight 0.10000E+01 volume 0.20332E-02 ppm1 9.005 ppm2 0.787 CV 1 ASSI { 1830} (( segid " " and resid 116 and name HN )) ( segid " " and resid 115 and name HD1%) 4.700 2.800 1.300 peak 1830 spectrum 1 weight 0.10000E+01 volume 0.61185E-03 ppm1 9.005 ppm2 0.877 CV 1 ASSI { 1832} (( segid " " and resid 117 and name HN )) (( segid " " and resid 143 and name HN )) 4.500 2.500 1.500 peak 1832 spectrum 1 weight 0.10000E+01 volume 0.43388E-03 ppm1 8.307 ppm2 8.599 CV 1 ASSI { 1833} (( segid " " and resid 117 and name HN )) (( segid " " and resid 116 and name HN )) 2.200 0.600 0.600 peak 1833 spectrum 1 weight 0.10000E+01 volume 0.43936E-02 ppm1 8.307 ppm2 9.003 CV 1 ASSI { 1834} (( segid " " and resid 117 and name HN )) (( segid " " and resid 92 and name HA )) 2.800 1.000 1.000 peak 1834 spectrum 1 weight 0.10000E+01 volume 0.19878E-02 ppm1 8.307 ppm2 5.673 CV 1 ASSI { 1836} (( segid " " and resid 117 and name HN )) (( segid " " and resid 91 and name HA )) 4.800 2.800 1.200 peak 1836 spectrum 1 weight 0.10000E+01 volume 0.85427E-03 ppm1 8.307 ppm2 5.260 CV 1 ASSI { 1837} (( segid " " and resid 117 and name HN )) (( segid " " and resid 116 and name HA )) 3.400 1.500 1.500 peak 1837 spectrum 1 weight 0.10000E+01 volume 0.12133E-02 ppm1 8.307 ppm2 4.828 CV 1 ASSI { 1838} (( segid " " and resid 117 and name HN )) (( segid " " and resid 115 and name HA )) 3.900 1.900 1.900 peak 1838 spectrum 1 weight 0.10000E+01 volume 0.13404E-02 ppm1 8.307 ppm2 4.127 CV 1 ASSI { 1839} (( segid " " and resid 117 and name HN )) (( segid " " and resid 116 and name HB3 )) 3.100 1.200 1.200 peak 1839 spectrum 1 weight 0.10000E+01 volume 0.29344E-02 ppm1 8.307 ppm2 1.977 CV 1 OR { 1839} (( segid " " and resid 117 and name HN )) (( segid " " and resid 116 and name HB2 )) ASSI { 1840} (( segid " " and resid 117 and name HN )) (( segid " " and resid 91 and name HB2 )) 4.500 2.600 1.500 peak 1840 spectrum 1 weight 0.10000E+01 volume 0.59717E-03 ppm1 8.307 ppm2 1.819 CV 1 OR { 1840} (( segid " " and resid 117 and name HN )) (( segid " " and resid 91 and name HB3 )) ASSI { 1842} (( segid " " and resid 117 and name HN )) (( segid " " and resid 115 and name HB3 )) 3.500 1.500 1.500 peak 1842 spectrum 1 weight 0.10000E+01 volume 0.12786E-02 ppm1 8.307 ppm2 1.355 CV 1 OR { 1842} (( segid " " and resid 117 and name HN )) (( segid " " and resid 115 and name HG )) ASSI { 1843} (( segid " " and resid 117 and name HN )) ( segid " " and resid 142 and name HG1%) 3.000 1.100 1.100 peak 1843 spectrum 1 weight 0.10000E+01 volume 0.21120E-02 ppm1 8.307 ppm2 0.775 CV 1 ASSI { 1846} (( segid " " and resid 118 and name HN )) (( segid " " and resid 117 and name HA )) 2.300 0.600 0.600 peak 1846 spectrum 1 weight 0.10000E+01 volume 0.63385E-02 ppm1 8.443 ppm2 5.803 CV 1 ASSI { 1848} (( segid " " and resid 118 and name HN )) (( segid " " and resid 145 and name HA )) 3.000 1.100 1.100 peak 1848 spectrum 1 weight 0.10000E+01 volume 0.12957E-02 ppm1 8.443 ppm2 5.570 CV 1 ASSI { 1852} (( segid " " and resid 118 and name HN )) (( segid " " and resid 117 and name HB3 )) 3.700 1.700 1.700 peak 1852 spectrum 1 weight 0.10000E+01 volume 0.93559E-03 ppm1 8.443 ppm2 3.625 CV 1 ASSI { 1857} (( segid " " and resid 118 and name HN )) ( segid " " and resid 118 and name HD1%) 4.500 2.500 1.500 peak 1857 spectrum 1 weight 0.10000E+01 volume 0.79249E-03 ppm1 8.442 ppm2 0.604 CV 1 ASSI { 1863} (( segid " " and resid 119 and name HN )) (( segid " " and resid 118 and name HB2 )) 4.900 3.000 1.100 peak 1863 spectrum 1 weight 0.10000E+01 volume 0.48902E-03 ppm1 8.199 ppm2 1.661 CV 1 ASSI { 1864} (( segid " " and resid 119 and name HN )) (( segid " " and resid 118 and name HG )) 3.900 1.900 1.900 peak 1864 spectrum 1 weight 0.10000E+01 volume 0.93680E-03 ppm1 8.199 ppm2 1.281 CV 1 ASSI { 1865} (( segid " " and resid 119 and name HN )) (( segid " " and resid 118 and name HB3 )) 4.300 2.300 1.700 peak 1865 spectrum 1 weight 0.10000E+01 volume 0.60664E-03 ppm1 8.199 ppm2 1.100 CV 1 ASSI { 1868} (( segid " " and resid 119 and name HN )) ( segid " " and resid 118 and name HD1%) 4.700 2.800 1.300 peak 1868 spectrum 1 weight 0.10000E+01 volume 0.43682E-03 ppm1 8.199 ppm2 0.601 CV 1 ASSI { 1872} (( segid " " and resid 120 and name HN )) (( segid " " and resid 146 and name HA )) 3.900 1.900 1.900 peak 1872 spectrum 1 weight 0.10000E+01 volume 0.53279E-03 ppm1 10.171 ppm2 4.614 CV 1 ASSI { 1873} (( segid " " and resid 120 and name HN )) (( segid " " and resid 119 and name HA )) 2.400 0.700 0.700 peak 1873 spectrum 1 weight 0.10000E+01 volume 0.43455E-02 ppm1 10.171 ppm2 5.663 CV 1 ASSI { 1874} (( segid " " and resid 120 and name HN )) (( segid " " and resid 119 and name HB3 )) 4.100 2.100 1.900 peak 1874 spectrum 1 weight 0.10000E+01 volume 0.77540E-03 ppm1 10.171 ppm2 2.665 CV 1 ASSI { 1876} (( segid " " and resid 120 and name HN )) (( segid " " and resid 120 and name HG )) 3.600 1.600 1.600 peak 1876 spectrum 1 weight 0.10000E+01 volume 0.10460E-02 ppm1 10.171 ppm2 1.301 CV 1 ASSI { 1877} (( segid " " and resid 120 and name HN )) ( segid " " and resid 120 and name HD1%) 4.100 2.100 1.900 peak 1877 spectrum 1 weight 0.10000E+01 volume 0.94892E-03 ppm1 10.171 ppm2 0.936 CV 1 ASSI { 1880} (( segid " " and resid 121 and name HN )) ( segid " " and resid 121 and name HD% ) 3.000 1.100 1.100 peak 1880 spectrum 1 weight 0.10000E+01 volume 0.20479E-02 ppm1 7.158 ppm2 7.444 CV 1 ASSI { 1881} (( segid " " and resid 121 and name HN )) (( segid " " and resid 122 and name HN )) 4.600 2.600 1.400 peak 1881 spectrum 1 weight 0.10000E+01 volume 0.67955E-03 ppm1 7.158 ppm2 9.250 CV 1 ASSI { 1882} (( segid " " and resid 121 and name HN )) (( segid " " and resid 120 and name HN )) 2.600 0.800 0.800 peak 1882 spectrum 1 weight 0.10000E+01 volume 0.37127E-02 ppm1 7.158 ppm2 10.174 CV 1 ASSI { 1883} (( segid " " and resid 121 and name HN )) (( segid " " and resid 119 and name HA )) 3.900 1.900 1.900 peak 1883 spectrum 1 weight 0.10000E+01 volume 0.13128E-02 ppm1 7.158 ppm2 5.655 CV 1 ASSI { 1884} (( segid " " and resid 121 and name HN )) (( segid " " and resid 123 and name HA )) 4.000 2.000 2.000 peak 1884 spectrum 1 weight 0.10000E+01 volume 0.10777E-02 ppm1 7.158 ppm2 4.741 CV 1 ASSI { 1885} (( segid " " and resid 121 and name HN )) (( segid " " and resid 146 and name HA )) 4.500 2.500 1.500 peak 1885 spectrum 1 weight 0.10000E+01 volume 0.47633E-03 ppm1 7.158 ppm2 4.632 CV 1 ASSI { 1886} (( segid " " and resid 121 and name HN )) (( segid " " and resid 96 and name HA )) 3.300 1.300 1.300 peak 1886 spectrum 1 weight 0.10000E+01 volume 0.96831E-03 ppm1 7.158 ppm2 4.339 CV 1 ASSI { 1887} (( segid " " and resid 121 and name HN )) (( segid " " and resid 96 and name HB2 )) 3.900 1.900 1.900 peak 1887 spectrum 1 weight 0.10000E+01 volume 0.61867E-03 ppm1 7.158 ppm2 3.947 CV 1 ASSI { 1888} (( segid " " and resid 121 and name HN )) (( segid " " and resid 96 and name HB3 )) 3.800 1.800 1.800 peak 1888 spectrum 1 weight 0.10000E+01 volume 0.41800E-03 ppm1 7.158 ppm2 3.806 CV 1 ASSI { 1889} (( segid " " and resid 121 and name HN )) (( segid " " and resid 119 and name HB2 )) 4.300 2.300 1.700 peak 1889 spectrum 1 weight 0.10000E+01 volume 0.60489E-03 ppm1 7.158 ppm2 2.827 CV 1 ASSI { 1891} (( segid " " and resid 121 and name HN )) (( segid " " and resid 119 and name HB3 )) 3.400 1.500 1.500 peak 1891 spectrum 1 weight 0.10000E+01 volume 0.90287E-03 ppm1 7.158 ppm2 2.667 CV 1 ASSI { 1892} (( segid " " and resid 121 and name HN )) (( segid " " and resid 120 and name HB2 )) 4.200 2.200 1.800 peak 1892 spectrum 1 weight 0.10000E+01 volume 0.70275E-03 ppm1 7.158 ppm2 2.206 CV 1 ASSI { 1893} (( segid " " and resid 121 and name HN )) (( segid " " and resid 120 and name HB3 )) 4.400 2.500 1.600 peak 1893 spectrum 1 weight 0.10000E+01 volume 0.57913E-03 ppm1 7.158 ppm2 1.423 CV 1 ASSI { 1894} (( segid " " and resid 121 and name HN )) (( segid " " and resid 120 and name HG )) 4.800 2.900 1.200 peak 1894 spectrum 1 weight 0.10000E+01 volume 0.50050E-03 ppm1 7.158 ppm2 1.302 CV 1 ASSI { 1897} (( segid " " and resid 121 and name HN )) ( segid " " and resid 120 and name HD2%) 4.700 2.700 1.300 peak 1897 spectrum 1 weight 0.10000E+01 volume 0.56029E-03 ppm1 7.158 ppm2 0.818 CV 1 ASSI { 1898} (( segid " " and resid 123 and name HN )) (( segid " " and resid 122 and name HN )) 2.800 1.000 1.000 peak 1898 spectrum 1 weight 0.10000E+01 volume 0.24030E-02 ppm1 8.137 ppm2 9.257 CV 1 ASSI { 1899} (( segid " " and resid 123 and name HN )) (( segid " " and resid 97 and name HN )) 3.800 1.800 1.800 peak 1899 spectrum 1 weight 0.10000E+01 volume 0.60835E-03 ppm1 8.146 ppm2 8.867 CV 1 ASSI { 1901} (( segid " " and resid 124 and name HN )) (( segid " " and resid 124 and name HG3 )) 3.700 1.700 1.700 peak 1901 spectrum 1 weight 0.10000E+01 volume 0.51024E-03 ppm1 9.705 ppm2 2.384 CV 1 OR { 1901} (( segid " " and resid 124 and name HN )) (( segid " " and resid 124 and name HG2 )) ASSI { 1902} (( segid " " and resid 124 and name HN )) (( segid " " and resid 123 and name HB3 )) 3.800 1.800 1.800 peak 1902 spectrum 1 weight 0.10000E+01 volume 0.41679E-03 ppm1 9.705 ppm2 3.080 CV 1 ASSI { 1904} (( segid " " and resid 124 and name HN )) (( segid " " and resid 123 and name HA )) 2.400 0.700 0.700 peak 1904 spectrum 1 weight 0.10000E+01 volume 0.43321E-02 ppm1 9.705 ppm2 4.741 CV 1 ASSI { 1905} (( segid " " and resid 125 and name HN )) (( segid " " and resid 126 and name HN )) 2.800 1.000 1.000 peak 1905 spectrum 1 weight 0.10000E+01 volume 0.14792E-02 ppm1 8.175 ppm2 7.194 CV 1 ASSI { 1908} (( segid " " and resid 125 and name HN )) (( segid " " and resid 123 and name HB2 )) 3.700 1.700 1.700 peak 1908 spectrum 1 weight 0.10000E+01 volume 0.13764E-02 ppm1 8.175 ppm2 3.603 CV 1 ASSI { 1909} (( segid " " and resid 125 and name HN )) (( segid " " and resid 123 and name HB3 )) 3.100 1.200 1.200 peak 1909 spectrum 1 weight 0.10000E+01 volume 0.10181E-02 ppm1 8.175 ppm2 3.078 CV 1 ASSI { 1910} (( segid " " and resid 125 and name HN )) (( segid " " and resid 124 and name HG2 )) 4.300 2.300 1.700 peak 1910 spectrum 1 weight 0.10000E+01 volume 0.52602E-03 ppm1 8.175 ppm2 2.367 CV 1 ASSI { 1913} (( segid " " and resid 125 and name HN )) ( segid " " and resid 128 and name HD1%) 5.300 3.500 0.700 peak 1913 spectrum 1 weight 0.10000E+01 volume 0.51024E-03 ppm1 8.175 ppm2 1.091 CV 1 ASSI { 1918} (( segid " " and resid 126 and name HN )) (( segid " " and resid 127 and name HN )) 2.500 0.800 0.800 peak 1918 spectrum 1 weight 0.10000E+01 volume 0.30185E-02 ppm1 7.198 ppm2 7.642 CV 1 ASSI { 1920} (( segid " " and resid 126 and name HN )) (( segid " " and resid 123 and name HA )) 3.700 1.700 1.700 peak 1920 spectrum 1 weight 0.10000E+01 volume 0.13964E-02 ppm1 7.198 ppm2 4.740 CV 1 ASSI { 1924} (( segid " " and resid 126 and name HN )) (( segid " " and resid 125 and name HA )) 3.200 1.300 1.300 peak 1924 spectrum 1 weight 0.10000E+01 volume 0.96952E-03 ppm1 7.198 ppm2 3.810 CV 1 ASSI { 1925} (( segid " " and resid 126 and name HN )) (( segid " " and resid 123 and name HB2 )) 4.200 2.200 1.800 peak 1925 spectrum 1 weight 0.10000E+01 volume 0.65550E-03 ppm1 7.198 ppm2 3.615 CV 1 ASSI { 1926} (( segid " " and resid 126 and name HN )) (( segid " " and resid 123 and name HB3 )) 3.900 1.900 1.900 peak 1926 spectrum 1 weight 0.10000E+01 volume 0.54481E-03 ppm1 7.198 ppm2 3.075 CV 1 ASSI { 1927} (( segid " " and resid 126 and name HN )) (( segid " " and resid 124 and name HB3 )) 4.300 2.300 1.700 peak 1927 spectrum 1 weight 0.10000E+01 volume 0.46592E-03 ppm1 7.198 ppm2 2.029 CV 1 OR { 1927} (( segid " " and resid 126 and name HN )) (( segid " " and resid 124 and name HB2 )) ASSI { 1928} (( segid " " and resid 126 and name HN )) (( segid " " and resid 125 and name HB )) 4.000 2.000 2.000 peak 1928 spectrum 1 weight 0.10000E+01 volume 0.60915E-03 ppm1 7.198 ppm2 1.627 CV 1 ASSI { 1929} (( segid " " and resid 126 and name HN )) ( segid " " and resid 125 and name HG1%) 4.000 2.000 2.000 peak 1929 spectrum 1 weight 0.10000E+01 volume 0.12853E-02 ppm1 7.198 ppm2 0.812 CV 1 ASSI { 1930} (( segid " " and resid 126 and name HN )) ( segid " " and resid 125 and name HG2%) 2.800 1.000 1.000 peak 1930 spectrum 1 weight 0.10000E+01 volume 0.32815E-02 ppm1 7.198 ppm2 0.719 CV 1 ASSI { 1934} (( segid " " and resid 127 and name HN )) (( segid " " and resid 125 and name HN )) 4.300 2.300 1.700 peak 1934 spectrum 1 weight 0.10000E+01 volume 0.42841E-03 ppm1 7.648 ppm2 8.179 CV 1 ASSI { 1938} (( segid " " and resid 127 and name HN )) (( segid " " and resid 125 and name HA )) 3.300 1.300 1.300 peak 1938 spectrum 1 weight 0.10000E+01 volume 0.98780E-03 ppm1 7.649 ppm2 3.818 CV 1 ASSI { 1939} (( segid " " and resid 127 and name HN )) (( segid " " and resid 126 and name HB )) 4.100 2.100 1.900 peak 1939 spectrum 1 weight 0.10000E+01 volume 0.53198E-03 ppm1 7.649 ppm2 3.735 CV 1 ASSI { 1941} (( segid " " and resid 127 and name HN )) (( segid " " and resid 126 and name HA )) 3.300 1.400 1.400 peak 1941 spectrum 1 weight 0.10000E+01 volume 0.11790E-02 ppm1 7.649 ppm2 2.418 CV 1 ASSI { 1942} (( segid " " and resid 127 and name HN )) (( segid " " and resid 128 and name HG )) 3.600 1.600 1.600 peak 1942 spectrum 1 weight 0.10000E+01 volume 0.89075E-03 ppm1 7.649 ppm2 1.989 CV 1 ASSI { 1943} (( segid " " and resid 127 and name HN )) (( segid " " and resid 128 and name HB2 )) 4.500 2.600 1.500 peak 1943 spectrum 1 weight 0.10000E+01 volume 0.55779E-03 ppm1 7.649 ppm2 1.842 CV 1 ASSI { 1945} (( segid " " and resid 127 and name HN )) ( segid " " and resid 128 and name HD1%) 5.200 3.400 0.800 peak 1945 spectrum 1 weight 0.10000E+01 volume 0.42534E-03 ppm1 7.649 ppm2 1.088 CV 1 ASSI { 1947} (( segid " " and resid 127 and name HN )) ( segid " " and resid 125 and name HG1%) 4.700 2.800 1.300 peak 1947 spectrum 1 weight 0.10000E+01 volume 0.55949E-03 ppm1 7.649 ppm2 0.824 CV 1 ASSI { 1948} (( segid " " and resid 127 and name HN )) ( segid " " and resid 125 and name HG2%) 4.300 2.300 1.700 peak 1948 spectrum 1 weight 0.10000E+01 volume 0.80822E-03 ppm1 7.649 ppm2 0.711 CV 1 ASSI { 1950} (( segid " " and resid 128 and name HN )) (( segid " " and resid 127 and name HN )) 2.400 0.700 0.700 peak 1950 spectrum 1 weight 0.10000E+01 volume 0.47914E-02 ppm1 7.411 ppm2 7.650 CV 1 ASSI { 1951} (( segid " " and resid 128 and name HN )) (( segid " " and resid 129 and name HN )) 4.900 3.000 1.100 peak 1951 spectrum 1 weight 0.10000E+01 volume 0.47874E-03 ppm1 7.411 ppm2 8.669 CV 1 ASSI { 1952} (( segid " " and resid 128 and name HN )) (( segid " " and resid 127 and name HA )) 3.200 1.200 1.200 peak 1952 spectrum 1 weight 0.10000E+01 volume 0.16968E-02 ppm1 7.411 ppm2 4.699 CV 1 ASSI { 1953} (( segid " " and resid 128 and name HN )) (( segid " " and resid 131 and name HA )) 5.100 3.200 0.900 peak 1953 spectrum 1 weight 0.10000E+01 volume 0.52051E-03 ppm1 7.411 ppm2 4.061 CV 1 ASSI { 1954} (( segid " " and resid 128 and name HN )) (( segid " " and resid 125 and name HA )) 3.800 1.800 1.800 peak 1954 spectrum 1 weight 0.10000E+01 volume 0.11069E-02 ppm1 7.411 ppm2 3.816 CV 1 ASSI { 1955} (( segid " " and resid 128 and name HN )) (( segid " " and resid 131 and name HB2 )) 4.400 2.400 1.600 peak 1955 spectrum 1 weight 0.10000E+01 volume 0.10460E-02 ppm1 7.411 ppm2 3.610 CV 1 ASSI { 1956} (( segid " " and resid 128 and name HN )) (( segid " " and resid 127 and name HB2 )) 3.700 1.700 1.700 peak 1956 spectrum 1 weight 0.10000E+01 volume 0.82155E-03 ppm1 7.411 ppm2 2.924 CV 1 ASSI { 1957} (( segid " " and resid 128 and name HN )) (( segid " " and resid 127 and name HB3 )) 4.000 2.000 2.000 peak 1957 spectrum 1 weight 0.10000E+01 volume 0.10725E-02 ppm1 7.411 ppm2 2.748 CV 1 ASSI { 1960} (( segid " " and resid 128 and name HN )) ( segid " " and resid 125 and name HG1%) 5.000 3.200 1.000 peak 1960 spectrum 1 weight 0.10000E+01 volume 0.64948E-03 ppm1 7.411 ppm2 0.822 CV 1 ASSI { 1964} (( segid " " and resid 129 and name HN )) (( segid " " and resid 128 and name HA )) 2.200 0.600 0.600 peak 1964 spectrum 1 weight 0.10000E+01 volume 0.69022E-02 ppm1 8.686 ppm2 4.190 CV 1 ASSI { 1965} (( segid " " and resid 129 and name HN )) (( segid " " and resid 128 and name HG )) 5.300 3.400 0.700 peak 1965 spectrum 1 weight 0.10000E+01 volume 0.55603E-03 ppm1 8.686 ppm2 1.973 CV 1 ASSI { 1966} (( segid " " and resid 129 and name HN )) (( segid " " and resid 128 and name HB2 )) 4.200 2.200 1.800 peak 1966 spectrum 1 weight 0.10000E+01 volume 0.99021E-03 ppm1 8.686 ppm2 1.834 CV 1 ASSI { 1967} (( segid " " and resid 129 and name HN )) (( segid " " and resid 128 and name HB3 )) 3.100 1.200 1.200 peak 1967 spectrum 1 weight 0.10000E+01 volume 0.16140E-02 ppm1 8.686 ppm2 1.575 CV 1 ASSI { 1968} (( segid " " and resid 129 and name HN )) ( segid " " and resid 128 and name HD1%) 5.300 3.500 0.700 peak 1968 spectrum 1 weight 0.10000E+01 volume 0.68381E-03 ppm1 8.686 ppm2 1.085 CV 1 ASSI { 1969} (( segid " " and resid 129 and name HN )) ( segid " " and resid 128 and name HD2%) 4.400 2.400 1.600 peak 1969 spectrum 1 weight 0.10000E+01 volume 0.15166E-02 ppm1 8.686 ppm2 0.992 CV 1 ASSI { 1974} (( segid " " and resid 130 and name HN )) (( segid " " and resid 129 and name HA )) 2.200 0.600 0.600 peak 1974 spectrum 1 weight 0.10000E+01 volume 0.84986E-02 ppm1 8.978 ppm2 4.423 CV 1 ASSI { 1976} (( segid " " and resid 130 and name HN )) (( segid " " and resid 129 and name HB3 )) 4.000 2.000 2.000 peak 1976 spectrum 1 weight 0.10000E+01 volume 0.15406E-02 ppm1 8.978 ppm2 2.667 CV 1 ASSI { 1980} (( segid " " and resid 132 and name HN )) (( segid " " and resid 130 and name HA )) 3.700 1.700 1.700 peak 1980 spectrum 1 weight 0.10000E+01 volume 0.58515E-03 ppm1 8.217 ppm2 4.181 CV 1 ASSI { 1981} (( segid " " and resid 132 and name HN )) (( segid " " and resid 131 and name HA )) 3.300 1.400 1.400 peak 1981 spectrum 1 weight 0.10000E+01 volume 0.10242E-02 ppm1 8.217 ppm2 4.063 CV 1 ASSI { 1983} (( segid " " and resid 132 and name HN )) (( segid " " and resid 132 and name HD3 )) 4.600 2.700 1.400 peak 1983 spectrum 1 weight 0.10000E+01 volume 0.75601E-03 ppm1 8.217 ppm2 3.170 CV 1 ASSI { 1984} (( segid " " and resid 132 and name HN )) (( segid " " and resid 131 and name HB3 )) 3.000 1.100 1.100 peak 1984 spectrum 1 weight 0.10000E+01 volume 0.27355E-02 ppm1 8.217 ppm2 2.673 CV 1 ASSI { 1985} (( segid " " and resid 132 and name HN )) (( segid " " and resid 132 and name HG3 )) 2.500 0.800 0.800 peak 1985 spectrum 1 weight 0.10000E+01 volume 0.22001E-02 ppm1 8.217 ppm2 1.343 CV 1 ASSI { 1986} (( segid " " and resid 132 and name HN )) (( segid " " and resid 132 and name HG2 )) 3.100 1.200 1.200 peak 1986 spectrum 1 weight 0.10000E+01 volume 0.36059E-02 ppm1 8.217 ppm2 1.740 CV 1 ASSI { 1987} (( segid " " and resid 132 and name HN )) (( segid " " and resid 132 and name HG2 )) 2.700 0.900 0.900 peak 1987 spectrum 1 weight 0.10000E+01 volume 0.35285E-02 ppm1 8.217 ppm2 1.710 CV 1 OR { 1987} (( segid " " and resid 132 and name HN )) (( segid " " and resid 132 and name HB2 )) ASSI { 1988} (( segid " " and resid 132 and name HN )) ( segid " " and resid 145 and name HD1%) 4.700 2.800 1.300 peak 1988 spectrum 1 weight 0.10000E+01 volume 0.94772E-03 ppm1 8.217 ppm2 -0.075 CV 1 ASSI { 1989} (( segid " " and resid 132 and name HE )) (( segid " " and resid 132 and name HB2 )) 3.400 1.400 1.400 peak 1989 spectrum 1 weight 0.10000E+01 volume 0.10675E-02 ppm1 7.894 ppm2 1.704 CV 1 ASSI { 1990} (( segid " " and resid 132 and name HE )) (( segid " " and resid 132 and name HB3 )) 3.300 1.400 1.400 peak 1990 spectrum 1 weight 0.10000E+01 volume 0.85668E-03 ppm1 7.894 ppm2 1.604 CV 1 ASSI { 1991} (( segid " " and resid 132 and name HE )) (( segid " " and resid 132 and name HG3 )) 3.700 1.700 1.700 peak 1991 spectrum 1 weight 0.10000E+01 volume 0.58089E-03 ppm1 7.894 ppm2 1.343 CV 1 ASSI { 1994} (( segid " " and resid 132 and name HE )) (( segid " " and resid 152 and name HD21)) 4.500 2.500 1.500 peak 1994 spectrum 1 weight 0.10000E+01 volume 0.49689E-03 ppm1 7.894 ppm2 7.431 CV 1 ASSI { 1995} (( segid " " and resid 132 and name HE )) (( segid " " and resid 136 and name HZ )) 4.100 2.100 1.900 peak 1995 spectrum 1 weight 0.10000E+01 volume 0.81544E-03 ppm1 7.894 ppm2 6.935 CV 1 ASSI { 1996} (( segid " " and resid 132 and name HE )) (( segid " " and resid 132 and name HH12)) 3.900 1.900 1.900 peak 1996 spectrum 1 weight 0.10000E+01 volume 0.12991E-02 ppm1 7.894 ppm2 6.219 CV 1 OR { 1996} (( segid " " and resid 132 and name HE )) (( segid " " and resid 132 and name HH11)) ASSI { 1997} (( segid " " and resid 133 and name HN )) (( segid " " and resid 135 and name HN )) 3.800 1.800 1.800 peak 1997 spectrum 1 weight 0.10000E+01 volume 0.91370E-03 ppm1 8.195 ppm2 8.384 CV 1 ASSI { 1998} (( segid " " and resid 133 and name HN )) (( segid " " and resid 134 and name HN )) 2.400 0.800 0.800 peak 1998 spectrum 1 weight 0.10000E+01 volume 0.38635E-02 ppm1 8.195 ppm2 8.609 CV 1 ASSI { 1999} (( segid " " and resid 133 and name HN )) (( segid " " and resid 130 and name HA )) 3.600 1.600 1.600 peak 1999 spectrum 1 weight 0.10000E+01 volume 0.70781E-03 ppm1 8.195 ppm2 4.174 CV 1 ASSI { 2000} (( segid " " and resid 133 and name HN )) (( segid " " and resid 134 and name HB2 )) 4.500 2.500 1.500 peak 2000 spectrum 1 weight 0.10000E+01 volume 0.62894E-03 ppm1 8.195 ppm2 2.910 CV 1 ASSI { 2002} (( segid " " and resid 133 and name HN )) (( segid " " and resid 132 and name HA )) 3.400 1.400 1.400 peak 2002 spectrum 1 weight 0.10000E+01 volume 0.12236E-02 ppm1 8.195 ppm2 2.760 CV 1 ASSI { 2003} (( segid " " and resid 133 and name HN )) (( segid " " and resid 132 and name HB2 )) 2.500 0.800 0.800 peak 2003 spectrum 1 weight 0.10000E+01 volume 0.21013E-02 ppm1 8.195 ppm2 1.692 CV 1 ASSI { 2004} (( segid " " and resid 133 and name HN )) (( segid " " and resid 132 and name HB3 )) 3.300 1.300 1.300 peak 2004 spectrum 1 weight 0.10000E+01 volume 0.27395E-02 ppm1 8.195 ppm2 1.600 CV 1 ASSI { 2007} (( segid " " and resid 133 and name HN )) ( segid " " and resid 136 and name HD% ) 4.600 2.700 1.400 peak 2007 spectrum 1 weight 0.10000E+01 volume 0.47139E-03 ppm1 8.195 ppm2 7.121 CV 1 OR { 2007} (( segid " " and resid 133 and name HN )) ( segid " " and resid 136 and name HE% ) ASSI { 2008} (( segid " " and resid 134 and name HN )) (( segid " " and resid 135 and name HN )) 2.400 0.700 0.700 peak 2008 spectrum 1 weight 0.10000E+01 volume 0.38155E-02 ppm1 8.610 ppm2 8.392 CV 1 ASSI { 2010} (( segid " " and resid 134 and name HN )) (( segid " " and resid 134 and name HD21)) 3.000 1.100 1.100 peak 2010 spectrum 1 weight 0.10000E+01 volume 0.11532E-02 ppm1 8.610 ppm2 7.324 CV 1 ASSI { 2011} (( segid " " and resid 134 and name HN )) (( segid " " and resid 134 and name HD22)) 4.200 2.200 1.800 peak 2011 spectrum 1 weight 0.10000E+01 volume 0.11378E-02 ppm1 8.610 ppm2 7.226 CV 1 ASSI { 2012} (( segid " " and resid 134 and name HN )) (( segid " " and resid 131 and name HA )) 3.600 1.600 1.600 peak 2012 spectrum 1 weight 0.10000E+01 volume 0.95012E-03 ppm1 8.610 ppm2 4.054 CV 1 ASSI { 2013} (( segid " " and resid 134 and name HN )) (( segid " " and resid 133 and name HA )) 3.200 1.300 1.300 peak 2013 spectrum 1 weight 0.10000E+01 volume 0.12974E-02 ppm1 8.610 ppm2 3.983 CV 1 ASSI { 2015} (( segid " " and resid 134 and name HN )) (( segid " " and resid 133 and name HB2 )) 2.600 0.900 0.900 peak 2015 spectrum 1 weight 0.10000E+01 volume 0.25259E-02 ppm1 8.610 ppm2 2.079 CV 1 ASSI { 2016} (( segid " " and resid 134 and name HN )) (( segid " " and resid 133 and name HB3 )) 3.300 1.400 1.400 peak 2016 spectrum 1 weight 0.10000E+01 volume 0.28209E-02 ppm1 8.610 ppm2 1.936 CV 1 ASSI { 2017} (( segid " " and resid 134 and name HN )) (( segid " " and resid 135 and name HB )) 4.500 2.500 1.500 peak 2017 spectrum 1 weight 0.10000E+01 volume 0.82877E-03 ppm1 8.610 ppm2 1.465 CV 1 ASSI { 2020} (( segid " " and resid 134 and name HN )) (( segid " " and resid 132 and name HB3 )) 4.700 2.800 1.300 peak 2020 spectrum 1 weight 0.10000E+01 volume 0.43508E-03 ppm1 8.610 ppm2 1.588 CV 1 ASSI { 2021} (( segid " " and resid 134 and name HN )) ( segid " " and resid 103 and name HD1%) 5.200 3.400 0.800 peak 2021 spectrum 1 weight 0.10000E+01 volume 0.86284E-03 ppm1 8.610 ppm2 0.881 CV 1 ASSI { 2025} (( segid " " and resid 135 and name HN )) (( segid " " and resid 137 and name HN )) 4.100 2.100 1.900 peak 2025 spectrum 1 weight 0.10000E+01 volume 0.53374E-03 ppm1 8.389 ppm2 7.580 CV 1 ASSI { 2026} (( segid " " and resid 135 and name HN )) (( segid " " and resid 134 and name HA )) 3.400 1.400 1.400 peak 2026 spectrum 1 weight 0.10000E+01 volume 0.12751E-02 ppm1 8.389 ppm2 4.461 CV 1 ASSI { 2028} (( segid " " and resid 135 and name HN )) (( segid " " and resid 133 and name HA )) 4.000 2.000 2.000 peak 2028 spectrum 1 weight 0.10000E+01 volume 0.46352E-03 ppm1 8.389 ppm2 3.979 CV 1 ASSI { 2031} (( segid " " and resid 135 and name HN )) (( segid " " and resid 132 and name HA )) 3.300 1.300 1.300 peak 2031 spectrum 1 weight 0.10000E+01 volume 0.10460E-02 ppm1 8.389 ppm2 2.758 CV 1 ASSI { 2032} (( segid " " and resid 135 and name HN )) (( segid " " and resid 134 and name HB2 )) 2.600 0.800 0.800 peak 2032 spectrum 1 weight 0.10000E+01 volume 0.20720E-02 ppm1 8.389 ppm2 2.906 CV 1 ASSI { 2033} (( segid " " and resid 135 and name HN )) (( segid " " and resid 134 and name HB3 )) 3.500 1.500 1.500 peak 2033 spectrum 1 weight 0.10000E+01 volume 0.15660E-02 ppm1 8.389 ppm2 2.455 CV 1 ASSI { 2034} (( segid " " and resid 135 and name HN )) (( segid " " and resid 132 and name HG3 )) 4.500 2.500 1.500 peak 2034 spectrum 1 weight 0.10000E+01 volume 0.56631E-03 ppm1 8.389 ppm2 1.361 CV 1 ASSI { 2037} (( segid " " and resid 135 and name HN )) ( segid " " and resid 103 and name HD1%) 4.600 2.600 1.400 peak 2037 spectrum 1 weight 0.10000E+01 volume 0.75361E-03 ppm1 8.389 ppm2 0.876 CV 1 ASSI { 2038} (( segid " " and resid 135 and name HN )) ( segid " " and resid 145 and name HD1%) 4.000 2.000 2.000 peak 2038 spectrum 1 weight 0.10000E+01 volume 0.12218E-02 ppm1 8.389 ppm2 -0.076 CV 1 ASSI { 2039} (( segid " " and resid 136 and name HN )) (( segid " " and resid 135 and name HB )) 2.500 0.800 0.800 peak 2039 spectrum 1 weight 0.10000E+01 volume 0.39557E-02 ppm1 8.146 ppm2 1.467 CV 1 ASSI { 2041} (( segid " " and resid 136 and name HN )) (( segid " " and resid 132 and name HA )) 3.700 1.700 1.700 peak 2041 spectrum 1 weight 0.10000E+01 volume 0.11721E-02 ppm1 8.146 ppm2 2.750 CV 1 ASSI { 2042} (( segid " " and resid 137 and name HN )) ( segid " " and resid 136 and name HD% ) 4.700 2.700 1.300 peak 2042 spectrum 1 weight 0.10000E+01 volume 0.73451E-03 ppm1 7.586 ppm2 7.132 CV 1 ASSI { 2047} (( segid " " and resid 137 and name HN )) (( segid " " and resid 136 and name HA )) 3.500 1.600 1.600 peak 2047 spectrum 1 weight 0.10000E+01 volume 0.99136E-03 ppm1 7.586 ppm2 4.270 CV 1 ASSI { 2048} (( segid " " and resid 137 and name HN )) (( segid " " and resid 134 and name HA )) 3.000 1.100 1.100 peak 2048 spectrum 1 weight 0.10000E+01 volume 0.18330E-02 ppm1 7.586 ppm2 4.464 CV 1 ASSI { 2050} (( segid " " and resid 137 and name HN )) (( segid " " and resid 136 and name HB3 )) 3.800 1.800 1.800 peak 2050 spectrum 1 weight 0.10000E+01 volume 0.14138E-02 ppm1 7.586 ppm2 2.855 CV 1 ASSI { 2051} (( segid " " and resid 137 and name HN )) (( segid " " and resid 135 and name HA )) 4.000 2.000 2.000 peak 2051 spectrum 1 weight 0.10000E+01 volume 0.51570E-03 ppm1 7.586 ppm2 3.338 CV 1 ASSI { 2054} (( segid " " and resid 138 and name HN )) (( segid " " and resid 136 and name HN )) 4.400 2.400 1.600 peak 2054 spectrum 1 weight 0.10000E+01 volume 0.56631E-03 ppm1 7.508 ppm2 8.143 CV 1 ASSI { 2055} (( segid " " and resid 138 and name HN )) (( segid " " and resid 134 and name HA )) 3.900 1.900 1.900 peak 2055 spectrum 1 weight 0.10000E+01 volume 0.69849E-03 ppm1 7.508 ppm2 4.448 CV 1 ASSI { 2056} (( segid " " and resid 138 and name HN )) (( segid " " and resid 135 and name HA )) 3.100 1.200 1.200 peak 2056 spectrum 1 weight 0.10000E+01 volume 0.18130E-02 ppm1 7.508 ppm2 3.339 CV 1 ASSI { 2057} (( segid " " and resid 138 and name HN )) (( segid " " and resid 137 and name HB2 )) 2.500 0.800 0.800 peak 2057 spectrum 1 weight 0.10000E+01 volume 0.53268E-02 ppm1 7.508 ppm2 1.892 CV 1 OR { 2057} (( segid " " and resid 138 and name HN )) (( segid " " and resid 137 and name HB3 )) ASSI { 2059} (( segid " " and resid 138 and name HN )) (( segid " " and resid 137 and name HG2 )) 3.900 1.900 1.900 peak 2059 spectrum 1 weight 0.10000E+01 volume 0.86404E-03 ppm1 7.508 ppm2 1.579 CV 1 ASSI { 2061} (( segid " " and resid 138 and name HN )) ( segid " " and resid 138 and name HD1%) 4.200 2.200 1.800 peak 2061 spectrum 1 weight 0.10000E+01 volume 0.16261E-02 ppm1 7.508 ppm2 0.795 CV 1 ASSI { 2063} (( segid " " and resid 138 and name HN )) ( segid " " and resid 135 and name HG2%) 4.800 2.800 1.200 peak 2063 spectrum 1 weight 0.10000E+01 volume 0.45684E-03 ppm1 7.508 ppm2 0.449 CV 1 ASSI { 2064} (( segid " " and resid 62 and name HN )) (( segid " " and resid 63 and name HA )) 3.900 1.900 1.900 peak 2064 spectrum 1 weight 0.10000E+01 volume 0.69673E-03 ppm1 7.920 ppm2 4.732 CV 1 ASSI { 2066} (( segid " " and resid 139 and name HN )) (( segid " " and resid 137 and name HN )) 3.700 1.700 1.700 peak 2066 spectrum 1 weight 0.10000E+01 volume 0.11892E-02 ppm1 7.916 ppm2 7.590 CV 1 ASSI { 2067} (( segid " " and resid 141 and name HN )) (( segid " " and resid 142 and name HN )) 2.400 0.700 0.700 peak 2067 spectrum 1 weight 0.10000E+01 volume 0.44617E-02 ppm1 9.997 ppm2 7.526 CV 1 ASSI { 2068} (( segid " " and resid 141 and name HN )) (( segid " " and resid 139 and name HA )) 3.300 1.400 1.400 peak 2068 spectrum 1 weight 0.10000E+01 volume 0.10623E-02 ppm1 9.998 ppm2 4.891 CV 1 ASSI { 2069} (( segid " " and resid 141 and name HN )) (( segid " " and resid 140 and name HA )) 3.300 1.300 1.300 peak 2069 spectrum 1 weight 0.10000E+01 volume 0.11944E-02 ppm1 9.998 ppm2 4.409 CV 1 ASSI { 2071} (( segid " " and resid 141 and name HN )) (( segid " " and resid 140 and name HD2 )) 2.900 1.100 1.100 peak 2071 spectrum 1 weight 0.10000E+01 volume 0.15927E-02 ppm1 9.998 ppm2 3.767 CV 1 ASSI { 2073} (( segid " " and resid 141 and name HN )) (( segid " " and resid 140 and name HB2 )) 3.900 1.900 1.900 peak 2073 spectrum 1 weight 0.10000E+01 volume 0.69248E-03 ppm1 9.998 ppm2 2.322 CV 1 ASSI { 2074} (( segid " " and resid 141 and name HN )) (( segid " " and resid 141 and name HG3 )) 3.500 1.500 1.500 peak 2074 spectrum 1 weight 0.10000E+01 volume 0.11927E-02 ppm1 9.998 ppm2 2.680 CV 1 ASSI { 2075} (( segid " " and resid 141 and name HN )) (( segid " " and resid 141 and name HG2 )) 3.100 1.200 1.200 peak 2075 spectrum 1 weight 0.10000E+01 volume 0.13197E-02 ppm1 9.998 ppm2 2.756 CV 1 ASSI { 2076} (( segid " " and resid 141 and name HN )) ( segid " " and resid 142 and name HG2%) 3.900 1.900 1.900 peak 2076 spectrum 1 weight 0.10000E+01 volume 0.15994E-02 ppm1 9.998 ppm2 0.751 CV 1 OR { 2076} (( segid " " and resid 141 and name HN )) ( segid " " and resid 142 and name HG1%) ASSI { 2077} (( segid " " and resid 141 and name HN )) (( segid " " and resid 139 and name HB3 )) 3.600 1.600 1.600 peak 2077 spectrum 1 weight 0.10000E+01 volume 0.51760E-03 ppm1 9.998 ppm2 1.010 CV 1 ASSI { 2078} (( segid " " and resid 142 and name HN )) (( segid " " and resid 143 and name HN )) 4.600 2.600 1.400 peak 2078 spectrum 1 weight 0.10000E+01 volume 0.53629E-03 ppm1 7.534 ppm2 8.600 CV 1 ASSI { 2080} (( segid " " and resid 142 and name HN )) (( segid " " and resid 141 and name HA )) 3.400 1.500 1.500 peak 2080 spectrum 1 weight 0.10000E+01 volume 0.13604E-02 ppm1 7.533 ppm2 4.296 CV 1 ASSI { 2081} (( segid " " and resid 142 and name HN )) (( segid " " and resid 140 and name HA )) 3.600 1.600 1.600 peak 2081 spectrum 1 weight 0.10000E+01 volume 0.89195E-03 ppm1 7.533 ppm2 4.408 CV 1 ASSI { 2082} (( segid " " and resid 142 and name HN )) (( segid " " and resid 139 and name HA )) 4.000 2.000 2.000 peak 2082 spectrum 1 weight 0.10000E+01 volume 0.54907E-03 ppm1 7.533 ppm2 4.883 CV 1 ASSI { 2083} (( segid " " and resid 142 and name HN )) (( segid " " and resid 116 and name HA )) 4.500 2.600 1.500 peak 2083 spectrum 1 weight 0.10000E+01 volume 0.53374E-03 ppm1 7.533 ppm2 4.832 CV 1 ASSI { 2084} (( segid " " and resid 142 and name HN )) (( segid " " and resid 141 and name HG2 )) 3.200 1.200 1.200 peak 2084 spectrum 1 weight 0.10000E+01 volume 0.10829E-02 ppm1 7.533 ppm2 2.759 CV 1 ASSI { 2085} (( segid " " and resid 142 and name HN )) (( segid " " and resid 141 and name HG3 )) 3.800 1.800 1.800 peak 2085 spectrum 1 weight 0.10000E+01 volume 0.76082E-03 ppm1 7.533 ppm2 2.672 CV 1 ASSI { 2087} (( segid " " and resid 142 and name HN )) (( segid " " and resid 139 and name HB3 )) 3.000 1.100 1.100 peak 2087 spectrum 1 weight 0.10000E+01 volume 0.12613E-02 ppm1 7.533 ppm2 1.017 CV 1 ASSI { 2088} (( segid " " and resid 142 and name HN )) ( segid " " and resid 135 and name HG1%) 4.200 2.200 1.800 peak 2088 spectrum 1 weight 0.10000E+01 volume 0.87005E-03 ppm1 7.533 ppm2 0.656 CV 1 ASSI { 2089} (( segid " " and resid 142 and name HN )) ( segid " " and resid 115 and name HD1%) 2.900 2.900 3.100 peak 2089 spectrum 1 weight 0.10000E+01 volume 0.77660E-03 ppm1 7.533 ppm2 0.861 CV 1 ASSI { 2091} (( segid " " and resid 143 and name HN )) ( segid " " and resid 142 and name HG1%) 3.500 1.500 1.500 peak 2091 spectrum 1 weight 0.10000E+01 volume 0.33589E-02 ppm1 8.597 ppm2 0.735 CV 1 OR { 2091} (( segid " " and resid 143 and name HN )) ( segid " " and resid 142 and name HG2%) ASSI { 2093} (( segid " " and resid 143 and name HN )) (( segid " " and resid 116 and name HB2 )) 3.900 1.900 1.900 peak 2093 spectrum 1 weight 0.10000E+01 volume 0.88955E-03 ppm1 8.597 ppm2 1.980 CV 1 OR { 2093} (( segid " " and resid 143 and name HN )) (( segid " " and resid 116 and name HB3 )) ASSI { 2096} (( segid " " and resid 143 and name HN )) (( segid " " and resid 116 and name HA )) 2.400 0.700 0.700 peak 2096 spectrum 1 weight 0.10000E+01 volume 0.31547E-02 ppm1 8.596 ppm2 4.831 CV 1 ASSI { 2097} (( segid " " and resid 143 and name HN )) (( segid " " and resid 142 and name HA )) 2.100 0.600 0.600 peak 2097 spectrum 1 weight 0.10000E+01 volume 0.59166E-02 ppm1 8.596 ppm2 3.847 CV 1 ASSI { 2098} (( segid " " and resid 144 and name HN )) (( segid " " and resid 118 and name HN )) 4.200 2.200 1.800 peak 2098 spectrum 1 weight 0.10000E+01 volume 0.91249E-03 ppm1 8.152 ppm2 8.440 CV 1 ASSI { 2099} (( segid " " and resid 144 and name HN )) (( segid " " and resid 143 and name HN )) 2.300 0.600 0.600 peak 2099 spectrum 1 weight 0.10000E+01 volume 0.49422E-02 ppm1 8.152 ppm2 8.597 CV 1 ASSI { 2100} (( segid " " and resid 144 and name HN )) (( segid " " and resid 145 and name HN )) 4.400 2.400 1.600 peak 2100 spectrum 1 weight 0.10000E+01 volume 0.57913E-03 ppm1 8.152 ppm2 8.995 CV 1 ASSI { 2101} (( segid " " and resid 89 and name HD21)) (( segid " " and resid 89 and name HD22)) 1.800 0.400 0.400 peak 2101 spectrum 1 weight 0.10000E+01 volume 0.10420E-01 ppm1 8.152 ppm2 7.039 CV 1 ASSI { 2102} (( segid " " and resid 144 and name HN )) ( segid " " and resid 144 and name HD% ) 3.100 1.200 1.200 peak 2102 spectrum 1 weight 0.10000E+01 volume 0.20212E-02 ppm1 8.152 ppm2 6.849 CV 1 ASSI { 2103} (( segid " " and resid 144 and name HN )) (( segid " " and resid 117 and name HA )) 2.800 1.000 1.000 peak 2103 spectrum 1 weight 0.10000E+01 volume 0.21120E-02 ppm1 8.152 ppm2 5.800 CV 1 ASSI { 2106} (( segid " " and resid 144 and name HN )) (( segid " " and resid 142 and name HA )) 3.600 1.600 1.600 peak 2106 spectrum 1 weight 0.10000E+01 volume 0.15526E-02 ppm1 8.152 ppm2 3.842 CV 1 ASSI { 2107} (( segid " " and resid 144 and name HN )) (( segid " " and resid 143 and name HB3 )) 3.400 1.400 1.400 peak 2107 spectrum 1 weight 0.10000E+01 volume 0.16821E-02 ppm1 8.153 ppm2 1.430 CV 1 ASSI { 2108} (( segid " " and resid 144 and name HN )) (( segid " " and resid 143 and name HB2 )) 3.000 1.100 1.100 peak 2108 spectrum 1 weight 0.10000E+01 volume 0.24912E-02 ppm1 8.153 ppm2 1.705 CV 1 ASSI { 2110} (( segid " " and resid 89 and name HD21)) (( segid " " and resid 88 and name HG3 )) 4.600 2.600 1.400 peak 2110 spectrum 1 weight 0.10000E+01 volume 0.72504E-03 ppm1 8.153 ppm2 1.853 CV 1 ASSI { 2111} (( segid " " and resid 144 and name HN )) (( segid " " and resid 116 and name HB3 )) 3.500 1.500 1.500 peak 2111 spectrum 1 weight 0.10000E+01 volume 0.91620E-03 ppm1 8.153 ppm2 1.967 CV 1 OR { 2111} (( segid " " and resid 144 and name HN )) (( segid " " and resid 116 and name HB2 )) ASSI { 2114} (( segid " " and resid 145 and name HN )) (( segid " " and resid 136 and name HZ )) 3.600 1.600 1.600 peak 2114 spectrum 1 weight 0.10000E+01 volume 0.10035E-02 ppm1 8.995 ppm2 6.932 CV 1 ASSI { 2115} (( segid " " and resid 145 and name HN )) ( segid " " and resid 144 and name HD% ) 4.500 2.500 1.500 peak 2115 spectrum 1 weight 0.10000E+01 volume 0.80206E-03 ppm1 8.995 ppm2 6.849 CV 1 ASSI { 2116} (( segid " " and resid 145 and name HN )) (( segid " " and resid 132 and name HH11)) 4.000 2.000 2.000 peak 2116 spectrum 1 weight 0.10000E+01 volume 0.47207E-03 ppm1 8.995 ppm2 6.240 CV 1 OR { 2116} (( segid " " and resid 145 and name HN )) (( segid " " and resid 132 and name HH12)) OR { 2116} (( segid " " and resid 145 and name HN )) (( segid " " and resid 132 and name HH21)) ASSI { 2118} (( segid " " and resid 145 and name HN )) (( segid " " and resid 144 and name HA )) 2.400 0.700 0.700 peak 2118 spectrum 1 weight 0.10000E+01 volume 0.48114E-02 ppm1 8.995 ppm2 4.818 CV 1 ASSI { 2119} (( segid " " and resid 145 and name HN )) (( segid " " and resid 144 and name HB3 )) 3.300 1.300 1.300 peak 2119 spectrum 1 weight 0.10000E+01 volume 0.10424E-02 ppm1 8.995 ppm2 2.609 CV 1 ASSI { 2120} (( segid " " and resid 145 and name HN )) ( segid " " and resid 145 and name HD2%) 4.100 2.100 1.900 peak 2120 spectrum 1 weight 0.10000E+01 volume 0.10675E-02 ppm1 8.995 ppm2 0.710 CV 1 ASSI { 2122} (( segid " " and resid 145 and name HN )) (( segid " " and resid 145 and name HG )) 4.200 2.200 1.800 peak 2122 spectrum 1 weight 0.10000E+01 volume 0.41746E-03 ppm1 8.995 ppm2 1.119 CV 1 ASSI { 2123} (( segid " " and resid 146 and name HN )) (( segid " " and resid 120 and name HN )) 3.900 1.900 1.900 peak 2123 spectrum 1 weight 0.10000E+01 volume 0.65645E-03 ppm1 9.922 ppm2 10.174 CV 1 ASSI { 2126} (( segid " " and resid 146 and name HN )) (( segid " " and resid 145 and name HA )) 2.400 0.700 0.700 peak 2126 spectrum 1 weight 0.10000E+01 volume 0.34417E-02 ppm1 9.922 ppm2 5.575 CV 1 ASSI { 2127} (( segid " " and resid 146 and name HN )) (( segid " " and resid 145 and name HG )) 4.200 2.200 1.800 peak 2127 spectrum 1 weight 0.10000E+01 volume 0.74990E-03 ppm1 9.922 ppm2 1.111 CV 1 ASSI { 2129} (( segid " " and resid 146 and name HN )) (( segid " " and resid 145 and name HB3 )) 4.100 2.100 1.900 peak 2129 spectrum 1 weight 0.10000E+01 volume 0.57232E-03 ppm1 9.922 ppm2 0.444 CV 1 ASSI { 2130} (( segid " " and resid 147 and name HN )) (( segid " " and resid 146 and name HN )) 3.000 1.100 1.100 peak 2130 spectrum 1 weight 0.10000E+01 volume 0.13266E-02 ppm1 8.875 ppm2 9.922 CV 1 ASSI { 2131} (( segid " " and resid 147 and name HN )) (( segid " " and resid 148 and name HN )) 2.900 1.000 1.000 peak 2131 spectrum 1 weight 0.10000E+01 volume 0.19344E-02 ppm1 8.875 ppm2 8.019 CV 1 ASSI { 2132} (( segid " " and resid 147 and name HN )) (( segid " " and resid 145 and name HA )) 4.000 2.000 2.000 peak 2132 spectrum 1 weight 0.10000E+01 volume 0.65550E-03 ppm1 8.875 ppm2 5.570 CV 1 ASSI { 2134} (( segid " " and resid 147 and name HN )) (( segid " " and resid 146 and name HA )) 3.000 1.100 1.100 peak 2134 spectrum 1 weight 0.10000E+01 volume 0.19972E-02 ppm1 8.875 ppm2 4.612 CV 1 ASSI { 2137} (( segid " " and resid 147 and name HN )) (( segid " " and resid 144 and name HB3 )) 3.700 1.700 1.700 peak 2137 spectrum 1 weight 0.10000E+01 volume 0.52427E-03 ppm1 8.875 ppm2 2.606 CV 1 ASSI { 2139} (( segid " " and resid 148 and name HN )) (( segid " " and resid 145 and name HN )) 2.900 1.100 1.100 peak 2139 spectrum 1 weight 0.10000E+01 volume 0.18250E-02 ppm1 8.024 ppm2 8.993 CV 1 ASSI { 2140} (( segid " " and resid 148 and name HN )) (( segid " " and resid 149 and name HN )) 4.400 2.400 1.600 peak 2140 spectrum 1 weight 0.10000E+01 volume 0.61090E-03 ppm1 8.024 ppm2 9.584 CV 1 ASSI { 2141} (( segid " " and resid 148 and name HN )) (( segid " " and resid 146 and name HN )) 4.500 2.500 1.500 peak 2141 spectrum 1 weight 0.10000E+01 volume 0.45497E-03 ppm1 8.025 ppm2 9.921 CV 1 ASSI { 2144} (( segid " " and resid 148 and name HN )) (( segid " " and resid 132 and name HH11)) 3.900 1.900 1.900 peak 2144 spectrum 1 weight 0.10000E+01 volume 0.58690E-03 ppm1 8.024 ppm2 6.232 CV 1 OR { 2144} (( segid " " and resid 148 and name HN )) (( segid " " and resid 132 and name HH21)) OR { 2144} (( segid " " and resid 148 and name HN )) (( segid " " and resid 132 and name HH12)) ASSI { 2147} (( segid " " and resid 148 and name HN )) (( segid " " and resid 152 and name HA )) 5.200 3.400 0.800 peak 2147 spectrum 1 weight 0.10000E+01 volume 0.63320E-03 ppm1 8.025 ppm2 4.353 CV 1 ASSI { 2150} (( segid " " and resid 148 and name HN )) (( segid " " and resid 147 and name HA1 )) 3.400 1.400 1.400 peak 2150 spectrum 1 weight 0.10000E+01 volume 0.14258E-02 ppm1 8.025 ppm2 4.260 CV 1 ASSI { 2151} (( segid " " and resid 148 and name HN )) (( segid " " and resid 147 and name HA2 )) 3.600 1.600 1.600 peak 2151 spectrum 1 weight 0.10000E+01 volume 0.16114E-02 ppm1 8.025 ppm2 3.554 CV 1 ASSI { 2154} (( segid " " and resid 148 and name HN )) (( segid " " and resid 144 and name HB3 )) 3.400 1.500 1.500 peak 2154 spectrum 1 weight 0.10000E+01 volume 0.68301E-03 ppm1 8.024 ppm2 2.598 CV 1 ASSI { 2155} (( segid " " and resid 148 and name HN )) ( segid " " and resid 155 and name HB% ) 4.300 2.300 1.700 peak 2155 spectrum 1 weight 0.10000E+01 volume 0.55258E-03 ppm1 8.025 ppm2 0.492 CV 1 ASSI { 2157} (( segid " " and resid 149 and name HN )) ( segid " " and resid 148 and name HD% ) 4.500 2.500 1.500 peak 2157 spectrum 1 weight 0.10000E+01 volume 0.74228E-03 ppm1 9.582 ppm2 6.969 CV 1 ASSI { 2158} (( segid " " and resid 149 and name HN )) ( segid " " and resid 144 and name HD% ) 3.100 1.200 1.200 peak 2158 spectrum 1 weight 0.10000E+01 volume 0.16047E-02 ppm1 9.582 ppm2 6.834 CV 1 OR { 2158} (( segid " " and resid 149 and name HN )) ( segid " " and resid 144 and name HE% ) ASSI { 2159} (( segid " " and resid 149 and name HN )) (( segid " " and resid 148 and name HA )) 2.300 0.600 0.600 peak 2159 spectrum 1 weight 0.10000E+01 volume 0.55188E-02 ppm1 9.582 ppm2 5.405 CV 1 ASSI { 2160} (( segid " " and resid 149 and name HN )) (( segid " " and resid 151 and name HN )) 4.200 2.200 1.800 peak 2160 spectrum 1 weight 0.10000E+01 volume 0.47326E-03 ppm1 9.582 ppm2 8.190 CV 1 ASSI { 2162} (( segid " " and resid 149 and name HN )) (( segid " " and resid 152 and name HA )) 4.100 2.100 1.900 peak 2162 spectrum 1 weight 0.10000E+01 volume 0.72760E-03 ppm1 9.582 ppm2 4.351 CV 1 ASSI { 2163} (( segid " " and resid 149 and name HN )) (( segid " " and resid 154 and name HA )) 4.100 2.100 1.900 peak 2163 spectrum 1 weight 0.10000E+01 volume 0.85186E-03 ppm1 9.582 ppm2 3.823 CV 1 ASSI { 2164} (( segid " " and resid 149 and name HN )) (( segid " " and resid 148 and name HB3 )) 3.300 1.400 1.400 peak 2164 spectrum 1 weight 0.10000E+01 volume 0.21120E-02 ppm1 9.582 ppm2 2.916 CV 1 OR { 2164} (( segid " " and resid 149 and name HN )) (( segid " " and resid 148 and name HB2 )) ASSI { 2165} (( segid " " and resid 149 and name HN )) (( segid " " and resid 153 and name HB2 )) 3.800 1.900 1.900 peak 2165 spectrum 1 weight 0.10000E+01 volume 0.57833E-03 ppm1 9.582 ppm2 2.112 CV 1 ASSI { 2166} (( segid " " and resid 149 and name HN )) (( segid " " and resid 153 and name HB3 )) 4.700 2.700 1.300 peak 2166 spectrum 1 weight 0.10000E+01 volume 0.45324E-03 ppm1 9.582 ppm2 1.939 CV 1 ASSI { 2167} (( segid " " and resid 150 and name HN )) ( segid " " and resid 136 and name HE% ) 4.200 2.200 1.800 peak 2167 spectrum 1 weight 0.10000E+01 volume 0.63921E-03 ppm1 8.268 ppm2 7.154 CV 1 OR { 2167} (( segid " " and resid 150 and name HN )) ( segid " " and resid 136 and name HD% ) ASSI { 2168} (( segid " " and resid 150 and name HN )) (( segid " " and resid 136 and name HZ )) 3.900 1.900 1.900 peak 2168 spectrum 1 weight 0.10000E+01 volume 0.65214E-03 ppm1 8.268 ppm2 6.927 CV 1 ASSI { 2169} (( segid " " and resid 150 and name HN )) ( segid " " and resid 144 and name HD% ) 2.700 2.700 3.300 peak 2169 spectrum 1 weight 0.10000E+01 volume 0.14258E-02 ppm1 8.268 ppm2 6.844 CV 1 OR { 2169} (( segid " " and resid 150 and name HN )) ( segid " " and resid 144 and name HE% ) ASSI { 2170} (( segid " " and resid 150 and name HN )) (( segid " " and resid 152 and name HN )) 4.200 2.200 1.800 peak 2170 spectrum 1 weight 0.10000E+01 volume 0.52787E-03 ppm1 8.268 ppm2 8.499 CV 1 ASSI { 2171} (( segid " " and resid 150 and name HN )) (( segid " " and resid 149 and name HA )) 2.800 1.000 1.000 peak 2171 spectrum 1 weight 0.10000E+01 volume 0.19678E-02 ppm1 8.269 ppm2 5.552 CV 1 ASSI { 2172} (( segid " " and resid 150 and name HN )) (( segid " " and resid 149 and name HB2 )) 2.700 0.900 0.900 peak 2172 spectrum 1 weight 0.10000E+01 volume 0.28997E-02 ppm1 8.269 ppm2 3.350 CV 1 ASSI { 2174} (( segid " " and resid 151 and name HN )) (( segid " " and resid 152 and name HN )) 2.400 0.700 0.700 peak 2174 spectrum 1 weight 0.10000E+01 volume 0.61932E-02 ppm1 8.196 ppm2 8.506 CV 1 ASSI { 2175} (( segid " " and resid 151 and name HN )) (( segid " " and resid 153 and name HN )) 3.200 1.300 1.300 peak 2175 spectrum 1 weight 0.10000E+01 volume 0.20706E-02 ppm1 8.196 ppm2 8.801 CV 1 ASSI { 2176} (( segid " " and resid 151 and name HN )) (( segid " " and resid 149 and name HB3 )) 3.700 1.700 1.700 peak 2176 spectrum 1 weight 0.10000E+01 volume 0.66672E-03 ppm1 8.195 ppm2 2.709 CV 1 ASSI { 2177} (( segid " " and resid 151 and name HN )) (( segid " " and resid 149 and name HB2 )) 3.700 1.700 1.700 peak 2177 spectrum 1 weight 0.10000E+01 volume 0.71733E-03 ppm1 8.195 ppm2 3.347 CV 1 ASSI { 2178} (( segid " " and resid 151 and name HN )) (( segid " " and resid 150 and name HA )) 3.400 1.500 1.500 peak 2178 spectrum 1 weight 0.10000E+01 volume 0.12322E-02 ppm1 8.195 ppm2 3.535 CV 1 ASSI { 2179} (( segid " " and resid 151 and name HN )) (( segid " " and resid 150 and name HB3 )) 4.000 2.000 2.000 peak 2179 spectrum 1 weight 0.10000E+01 volume 0.89075E-03 ppm1 8.195 ppm2 1.086 CV 1 ASSI { 2180} (( segid " " and resid 151 and name HN )) (( segid " " and resid 150 and name HB2 )) 3.100 1.200 1.200 peak 2180 spectrum 1 weight 0.10000E+01 volume 0.10290E-02 ppm1 8.195 ppm2 1.332 CV 1 ASSI { 2181} (( segid " " and resid 152 and name HN )) (( segid " " and resid 149 and name HN )) 4.000 2.000 2.000 peak 2181 spectrum 1 weight 0.10000E+01 volume 0.69152E-03 ppm1 8.508 ppm2 9.583 CV 1 ASSI { 2182} (( segid " " and resid 152 and name HN )) (( segid " " and resid 153 and name HN )) 2.600 0.800 0.800 peak 2182 spectrum 1 weight 0.10000E+01 volume 0.43869E-02 ppm1 8.508 ppm2 8.793 CV 1 ASSI { 2184} (( segid " " and resid 152 and name HN )) ( segid " " and resid 148 and name HD% ) 4.900 3.100 1.100 peak 2184 spectrum 1 weight 0.10000E+01 volume 0.60744E-03 ppm1 8.508 ppm2 6.965 CV 1 ASSI { 2185} (( segid " " and resid 152 and name HN )) (( segid " " and resid 151 and name HA )) 3.000 1.100 1.100 peak 2185 spectrum 1 weight 0.10000E+01 volume 0.23616E-02 ppm1 8.508 ppm2 4.793 CV 1 ASSI { 2186} (( segid " " and resid 152 and name HN )) (( segid " " and resid 150 and name HA )) 3.500 1.500 1.500 peak 2186 spectrum 1 weight 0.10000E+01 volume 0.74870E-03 ppm1 8.508 ppm2 3.532 CV 1 ASSI { 2187} (( segid " " and resid 152 and name HN )) (( segid " " and resid 151 and name HB3 )) 3.900 1.900 1.900 peak 2187 spectrum 1 weight 0.10000E+01 volume 0.13076E-02 ppm1 8.508 ppm2 2.543 CV 1 ASSI { 2188} (( segid " " and resid 152 and name HN )) (( segid " " and resid 153 and name HB2 )) 4.900 3.100 1.100 peak 2188 spectrum 1 weight 0.10000E+01 volume 0.44536E-03 ppm1 8.508 ppm2 2.117 CV 1 ASSI { 2189} (( segid " " and resid 153 and name HN )) (( segid " " and resid 154 and name HN )) 4.100 2.100 1.900 peak 2189 spectrum 1 weight 0.10000E+01 volume 0.11052E-02 ppm1 8.795 ppm2 9.017 CV 1 ASSI { 2190} (( segid " " and resid 153 and name HN )) (( segid " " and resid 149 and name HN )) 2.700 0.900 0.900 peak 2190 spectrum 1 weight 0.10000E+01 volume 0.23790E-02 ppm1 8.795 ppm2 9.578 CV 1 ASSI { 2195} (( segid " " and resid 153 and name HN )) (( segid " " and resid 148 and name HA )) 4.200 2.200 1.800 peak 2195 spectrum 1 weight 0.10000E+01 volume 0.68822E-03 ppm1 8.797 ppm2 5.409 CV 1 ASSI { 2197} (( segid " " and resid 153 and name HN )) (( segid " " and resid 152 and name HA )) 2.700 0.900 0.900 peak 2197 spectrum 1 weight 0.10000E+01 volume 0.29144E-02 ppm1 8.797 ppm2 4.349 CV 1 ASSI { 2199} (( segid " " and resid 153 and name HN )) (( segid " " and resid 151 and name HB3 )) 3.800 1.800 1.800 peak 2199 spectrum 1 weight 0.10000E+01 volume 0.10448E-02 ppm1 8.797 ppm2 2.543 CV 1 ASSI { 2204} (( segid " " and resid 154 and name HN )) (( segid " " and resid 155 and name HN )) 4.500 2.500 1.500 peak 2204 spectrum 1 weight 0.10000E+01 volume 0.88579E-03 ppm1 9.024 ppm2 7.760 CV 1 ASSI { 2205} (( segid " " and resid 154 and name HN )) (( segid " " and resid 153 and name HG2 )) 3.700 1.700 1.700 peak 2205 spectrum 1 weight 0.10000E+01 volume 0.15940E-02 ppm1 9.024 ppm2 1.492 CV 1 ASSI { 2206} (( segid " " and resid 154 and name HN )) (( segid " " and resid 153 and name HB3 )) 3.000 1.200 1.200 peak 2206 spectrum 1 weight 0.10000E+01 volume 0.34270E-02 ppm1 9.024 ppm2 1.936 CV 1 ASSI { 2208} (( segid " " and resid 154 and name HN )) (( segid " " and resid 154 and name HG2 )) 4.300 2.300 1.700 peak 2208 spectrum 1 weight 0.10000E+01 volume 0.15073E-02 ppm1 9.024 ppm2 2.230 CV 1 ASSI { 2209} (( segid " " and resid 154 and name HN )) (( segid " " and resid 153 and name HA )) 1.900 0.500 0.500 peak 2209 spectrum 1 weight 0.10000E+01 volume 0.14191E-01 ppm1 9.024 ppm2 4.715 CV 1 ASSI { 2211} (( segid " " and resid 155 and name HN )) (( segid " " and resid 149 and name HN )) 4.300 2.300 1.700 peak 2211 spectrum 1 weight 0.10000E+01 volume 0.47380E-03 ppm1 7.760 ppm2 9.589 CV 1 ASSI { 2212} (( segid " " and resid 155 and name HN )) ( segid " " and resid 144 and name HD% ) 4.000 2.000 2.000 peak 2212 spectrum 1 weight 0.10000E+01 volume 0.82636E-03 ppm1 7.760 ppm2 6.835 CV 1 OR { 2212} (( segid " " and resid 155 and name HN )) ( segid " " and resid 144 and name HE% ) ASSI { 2214} (( segid " " and resid 155 and name HN )) (( segid " " and resid 154 and name HA )) 2.000 0.500 0.500 peak 2214 spectrum 1 weight 0.10000E+01 volume 0.11381E-01 ppm1 7.760 ppm2 3.825 CV 1 ASSI { 2215} (( segid " " and resid 155 and name HN )) (( segid " " and resid 156 and name HD2 )) 5.000 3.200 1.000 peak 2215 spectrum 1 weight 0.10000E+01 volume 0.59888E-03 ppm1 7.760 ppm2 3.634 CV 1 ASSI { 2216} (( segid " " and resid 155 and name HN )) (( segid " " and resid 147 and name HA2 )) 4.000 2.000 2.000 peak 2216 spectrum 1 weight 0.10000E+01 volume 0.54311E-03 ppm1 7.760 ppm2 3.558 CV 1 ASSI { 2217} (( segid " " and resid 155 and name HN )) (( segid " " and resid 148 and name HA )) 2.900 1.000 1.000 peak 2217 spectrum 1 weight 0.10000E+01 volume 0.20453E-02 ppm1 7.760 ppm2 5.409 CV 1 ASSI { 2218} (( segid " " and resid 155 and name HN )) (( segid " " and resid 156 and name HD3 )) 4.800 2.900 1.200 peak 2218 spectrum 1 weight 0.10000E+01 volume 0.56205E-03 ppm1 7.760 ppm2 3.101 CV 1 ASSI { 2219} (( segid " " and resid 155 and name HN )) (( segid " " and resid 154 and name HB2 )) 3.600 1.700 1.700 peak 2219 spectrum 1 weight 0.10000E+01 volume 0.32855E-02 ppm1 7.760 ppm2 1.824 CV 1 OR { 2219} (( segid " " and resid 155 and name HN )) (( segid " " and resid 154 and name HB3 )) ASSI { 2220} (( segid " " and resid 155 and name HN )) (( segid " " and resid 154 and name HG3 )) 3.800 1.800 1.800 peak 2220 spectrum 1 weight 0.10000E+01 volume 0.10829E-02 ppm1 7.760 ppm2 2.106 CV 1 ASSI { 2221} (( segid " " and resid 155 and name HN )) (( segid " " and resid 154 and name HG2 )) 3.800 1.800 1.800 peak 2221 spectrum 1 weight 0.10000E+01 volume 0.92342E-03 ppm1 7.760 ppm2 2.222 CV 1 ASSI { 2222} (( segid " " and resid 157 and name HN )) (( segid " " and resid 158 and name HN )) 2.900 1.100 1.100 peak 2222 spectrum 1 weight 0.10000E+01 volume 0.22856E-02 ppm1 8.287 ppm2 7.952 CV 1 ASSI { 2232} (( segid " " and resid 158 and name HN )) (( segid " " and resid 158 and name HB2 )) 3.000 1.100 1.100 peak 2232 spectrum 1 weight 0.10000E+01 volume 0.32374E-02 ppm1 7.950 ppm2 2.609 CV 1 OR { 2232} (( segid " " and resid 158 and name HN )) (( segid " " and resid 158 and name HB3 )) ASSI { 2233} (( segid " " and resid 158 and name HN )) (( segid " " and resid 156 and name HB2 )) 3.200 1.300 1.300 peak 2233 spectrum 1 weight 0.10000E+01 volume 0.91981E-03 ppm1 7.950 ppm2 2.226 CV 1 ASSI { 2234} (( segid " " and resid 158 and name HN )) (( segid " " and resid 156 and name HB3 )) 3.500 1.600 1.600 peak 2234 spectrum 1 weight 0.10000E+01 volume 0.23951E-02 ppm1 7.950 ppm2 1.887 CV 1 ASSI { 2235} (( segid " " and resid 158 and name HN )) ( segid " " and resid 160 and name HG2%) 4.500 2.500 1.500 peak 2235 spectrum 1 weight 0.10000E+01 volume 0.53719E-03 ppm1 7.950 ppm2 0.871 CV 1 OR { 2235} (( segid " " and resid 158 and name HN )) ( segid " " and resid 160 and name HG1%) ASSI { 2236} (( segid " " and resid 158 and name HN )) (( segid " " and resid 159 and name HA )) 4.900 2.900 1.100 peak 2236 spectrum 1 weight 0.10000E+01 volume 0.65645E-03 ppm1 7.950 ppm2 4.614 CV 1 ASSI { 2237} (( segid " " and resid 159 and name HN )) (( segid " " and resid 158 and name HN )) 3.000 1.100 1.100 peak 2237 spectrum 1 weight 0.10000E+01 volume 0.19318E-02 ppm1 8.329 ppm2 7.946 CV 1 ASSI { 2238} (( segid " " and resid 159 and name HN )) (( segid " " and resid 160 and name HN )) 2.800 1.000 1.000 peak 2238 spectrum 1 weight 0.10000E+01 volume 0.31747E-02 ppm1 8.329 ppm2 7.828 CV 1 ASSI { 2241} (( segid " " and resid 159 and name HN )) (( segid " " and resid 157 and name HA )) 4.100 2.100 1.900 peak 2241 spectrum 1 weight 0.10000E+01 volume 0.89195E-03 ppm1 8.329 ppm2 4.393 CV 1 ASSI { 2242} (( segid " " and resid 159 and name HN )) (( segid " " and resid 158 and name HA )) 2.600 0.800 0.800 peak 2242 spectrum 1 weight 0.10000E+01 volume 0.67860E-02 ppm1 8.329 ppm2 4.280 CV 1 ASSI { 2243} (( segid " " and resid 159 and name HN )) (( segid " " and resid 159 and name HB2 )) 3.000 1.200 1.200 peak 2243 spectrum 1 weight 0.10000E+01 volume 0.31507E-02 ppm1 8.329 ppm2 2.681 CV 1 ASSI { 2244} (( segid " " and resid 159 and name HN )) (( segid " " and resid 156 and name HB3 )) 4.200 2.200 1.800 peak 2244 spectrum 1 weight 0.10000E+01 volume 0.62638E-03 ppm1 8.329 ppm2 1.887 CV 1 ASSI { 2245} (( segid " " and resid 159 and name HN )) ( segid " " and resid 160 and name HG2%) 4.100 2.100 1.900 peak 2245 spectrum 1 weight 0.10000E+01 volume 0.10011E-02 ppm1 8.329 ppm2 0.878 CV 1 OR { 2245} (( segid " " and resid 159 and name HN )) ( segid " " and resid 160 and name HG1%) ASSI { 2248} (( segid " " and resid 160 and name HN )) (( segid " " and resid 159 and name HA )) 2.500 0.800 0.800 peak 2248 spectrum 1 weight 0.10000E+01 volume 0.68045E-02 ppm1 7.832 ppm2 4.610 CV 1 ASSI { 2251} (( segid " " and resid 160 and name HN )) (( segid " " and resid 156 and name HB3 )) 3.200 3.200 2.800 peak 2251 spectrum 1 weight 0.10000E+01 volume 0.50974E-03 ppm1 7.834 ppm2 1.889 CV 1 ASSI { 2252} (( segid " " and resid 160 and name HN )) (( segid " " and resid 159 and name HB3 )) 3.400 1.500 1.500 peak 2252 spectrum 1 weight 0.10000E+01 volume 0.25472E-02 ppm1 7.833 ppm2 2.625 CV 1 OR { 2252} (( segid " " and resid 160 and name HN )) (( segid " " and resid 159 and name HB2 )) ASSI { 2253} (( segid " " and resid 161 and name HN )) (( segid " " and resid 160 and name HN )) 2.900 1.000 1.000 peak 2253 spectrum 1 weight 0.10000E+01 volume 0.39944E-02 ppm1 8.318 ppm2 7.833 CV 1 ASSI { 2258} (( segid " " and resid 161 and name HN )) ( segid " " and resid 160 and name HG2%) 3.500 1.500 1.500 peak 2258 spectrum 1 weight 0.10000E+01 volume 0.37127E-02 ppm1 8.318 ppm2 0.879 CV 1 OR { 2258} (( segid " " and resid 161 and name HN )) ( segid " " and resid 160 and name HG1%) ASSI { 2259} (( segid " " and resid 161 and name HN )) (( segid " " and resid 160 and name HA )) 2.300 0.700 0.700 peak 2259 spectrum 1 weight 0.10000E+01 volume 0.83879E-02 ppm1 8.318 ppm2 4.002 CV 1 ASSI { 2260} (( segid " " and resid 161 and name HN )) (( segid " " and resid 159 and name HA )) 4.100 2.100 1.900 peak 2260 spectrum 1 weight 0.10000E+01 volume 0.78392E-03 ppm1 8.318 ppm2 4.621 CV 1 ASSI { 2262} (( segid " " and resid 162 and name HN )) (( segid " " and resid 161 and name HN )) 2.800 1.000 1.000 peak 2262 spectrum 1 weight 0.10000E+01 volume 0.36259E-02 ppm1 8.174 ppm2 8.307 CV 1 ASSI { 2264} (( segid " " and resid 162 and name HN )) (( segid " " and resid 160 and name HA )) 4.200 2.200 1.800 peak 2264 spectrum 1 weight 0.10000E+01 volume 0.59983E-03 ppm1 8.173 ppm2 4.005 CV 1 ASSI { 2265} (( segid " " and resid 162 and name HN )) (( segid " " and resid 161 and name HA )) 2.400 0.700 0.700 peak 2265 spectrum 1 weight 0.10000E+01 volume 0.69513E-02 ppm1 8.173 ppm2 4.220 CV 1 ASSI { 2267} (( segid " " and resid 162 and name HN )) (( segid " " and resid 161 and name HG2 )) 4.500 2.600 1.500 peak 2267 spectrum 1 weight 0.10000E+01 volume 0.75481E-03 ppm1 8.173 ppm2 2.224 CV 1 OR { 2267} (( segid " " and resid 162 and name HN )) (( segid " " and resid 161 and name HG3 )) ASSI { 2268} (( segid " " and resid 162 and name HN )) (( segid " " and resid 161 and name HB2 )) 3.900 1.900 1.900 peak 2268 spectrum 1 weight 0.10000E+01 volume 0.13631E-02 ppm1 8.173 ppm2 1.994 CV 1 ASSI { 2269} (( segid " " and resid 162 and name HN )) (( segid " " and resid 161 and name HB3 )) 4.000 2.000 2.000 peak 2269 spectrum 1 weight 0.10000E+01 volume 0.12443E-02 ppm1 8.173 ppm2 1.894 CV 1 ASSI { 2271} (( segid " " and resid 163 and name HN )) (( segid " " and resid 161 and name HN )) 4.200 2.200 1.800 peak 2271 spectrum 1 weight 0.10000E+01 volume 0.58515E-03 ppm1 7.983 ppm2 8.296 CV 1 ASSI { 2272} (( segid " " and resid 163 and name HN )) (( segid " " and resid 162 and name HN )) 3.000 1.100 1.100 peak 2272 spectrum 1 weight 0.10000E+01 volume 0.26287E-02 ppm1 7.983 ppm2 8.173 CV 1 ASSI { 2274} (( segid " " and resid 163 and name HN )) (( segid " " and resid 164 and name HN )) 3.200 1.300 1.300 peak 2274 spectrum 1 weight 0.10000E+01 volume 0.35098E-02 ppm1 7.983 ppm2 7.489 CV 1 ASSI { 2277} (( segid " " and resid 163 and name HN )) ( segid " " and resid 164 and name HG2%) 3.900 1.900 1.900 peak 2277 spectrum 1 weight 0.10000E+01 volume 0.95253E-03 ppm1 7.983 ppm2 0.865 CV 1 OR { 2277} (( segid " " and resid 163 and name HN )) ( segid " " and resid 164 and name HG1%) ASSI { 2278} (( segid " " and resid 163 and name HN )) (( segid " " and resid 162 and name HA1 )) 2.600 0.900 0.900 peak 2278 spectrum 1 weight 0.10000E+01 volume 0.66697E-02 ppm1 7.983 ppm2 3.856 CV 1 OR { 2278} (( segid " " and resid 163 and name HN )) (( segid " " and resid 162 and name HA2 )) ASSI { 2279} (( segid " " and resid 163 and name HN )) (( segid " " and resid 164 and name HA )) 4.300 2.300 1.700 peak 2279 spectrum 1 weight 0.10000E+01 volume 0.45991E-03 ppm1 7.983 ppm2 3.986 CV 1 ASSI { 2280} (( segid " " and resid 163 and name HN )) (( segid " " and resid 161 and name HA )) 4.400 2.400 1.600 peak 2280 spectrum 1 weight 0.10000E+01 volume 0.44296E-03 ppm1 7.983 ppm2 4.213 CV 1 ASSI { 2281} (( segid " " and resid 163 and name HN )) (( segid " " and resid 161 and name HB2 )) 3.200 3.200 2.800 peak 2281 spectrum 1 weight 0.10000E+01 volume 0.43869E-03 ppm1 7.984 ppm2 2.002 CV 1 ASSI { 2282} (( segid " " and resid 164 and name HN )) ( segid " " and resid 163 and name HD% ) 4.600 2.600 1.400 peak 2282 spectrum 1 weight 0.10000E+01 volume 0.69423E-03 ppm1 7.492 ppm2 7.041 CV 1 ASSI { 2284} (( segid " " and resid 164 and name HN )) (( segid " " and resid 163 and name HB3 )) 4.300 2.300 1.700 peak 2284 spectrum 1 weight 0.10000E+01 volume 0.90167E-03 ppm1 7.492 ppm2 2.909 CV 1 ASSI { 2285} (( segid " " and resid 164 and name HN )) (( segid " " and resid 163 and name HB2 )) 4.100 2.100 1.900 peak 2285 spectrum 1 weight 0.10000E+01 volume 0.11601E-02 ppm1 7.492 ppm2 3.002 CV 1 ASSI { 2286} (( segid " " and resid 164 and name HN )) (( segid " " and resid 163 and name HA )) 2.400 0.700 0.700 peak 2286 spectrum 1 weight 0.10000E+01 volume 0.62228E-02 ppm1 7.492 ppm2 4.544 CV 1 ASSI { 2289} (( segid " " and resid 122 and name HN )) ( segid " " and resid 121 and name HD% ) 4.400 2.400 1.600 peak 2289 spectrum 1 weight 0.10000E+01 volume 0.61691E-03 ppm1 9.256 ppm2 7.452 CV 1 ASSI { 2292} (( segid " " and resid 118 and name HN )) (( segid " " and resid 146 and name HN )) 4.100 2.100 1.900 peak 2292 spectrum 1 weight 0.10000E+01 volume 0.38889E-03 ppm1 8.445 ppm2 9.926 CV 1 ASSI { 2296} (( segid " " and resid 150 and name HE )) (( segid " " and resid 136 and name HB3 )) 3.500 1.500 1.500 peak 2296 spectrum 1 weight 0.10000E+01 volume 0.85668E-03 ppm1 7.086 ppm2 2.843 CV 1 ASSI { 2297} (( segid " " and resid 150 and name HE )) (( segid " " and resid 136 and name HB2 )) 2.800 2.800 3.200 peak 2297 spectrum 1 weight 0.10000E+01 volume 0.97202E-03 ppm1 7.086 ppm2 2.953 CV 1 ASSI { 2298} (( segid " " and resid 150 and name HE )) (( segid " " and resid 136 and name HA )) 4.600 2.700 1.400 peak 2298 spectrum 1 weight 0.10000E+01 volume 0.39864E-03 ppm1 7.088 ppm2 4.278 CV 1 ASSI { 2299} (( segid " " and resid 150 and name HE )) (( segid " " and resid 143 and name HA )) 3.700 1.700 1.700 peak 2299 spectrum 1 weight 0.10000E+01 volume 0.51570E-03 ppm1 7.086 ppm2 4.370 CV 1 ASSI { 2303} (( segid " " and resid 51 and name HD22)) (( segid " " and resid 26 and name HA )) 4.400 2.400 1.600 peak 2303 spectrum 1 weight 0.10000E+01 volume 0.40224E-03 ppm1 6.615 ppm2 4.516 CV 1 ASSI { 2304} (( segid " " and resid 51 and name HD22)) (( segid " " and resid 51 and name HB2 )) 4.100 2.100 1.900 peak 2304 spectrum 1 weight 0.10000E+01 volume 0.14832E-02 ppm1 6.615 ppm2 3.571 CV 1 ASSI { 2305} (( segid " " and resid 51 and name HD22)) (( segid " " and resid 51 and name HB3 )) 4.500 2.500 1.500 peak 2305 spectrum 1 weight 0.10000E+01 volume 0.88218E-03 ppm1 6.615 ppm2 2.359 CV 1 ASSI { 2306} (( segid " " and resid 51 and name HD21)) (( segid " " and resid 26 and name HA )) 3.800 1.800 1.800 peak 2306 spectrum 1 weight 0.10000E+01 volume 0.54231E-03 ppm1 7.694 ppm2 4.522 CV 1 ASSI { 2310} (( segid " " and resid 51 and name HD21)) (( segid " " and resid 51 and name HB2 )) 3.000 1.200 1.200 peak 2310 spectrum 1 weight 0.10000E+01 volume 0.20332E-02 ppm1 7.694 ppm2 3.566 CV 1 ASSI { 2311} (( segid " " and resid 94 and name HD21)) (( segid " " and resid 70 and name HA )) 4.000 2.000 2.000 peak 2311 spectrum 1 weight 0.10000E+01 volume 0.58956E-03 ppm1 8.678 ppm2 4.766 CV 1 ASSI { 2313} (( segid " " and resid 94 and name HD21)) (( segid " " and resid 94 and name HB3 )) 3.300 1.400 1.400 peak 2313 spectrum 1 weight 0.10000E+01 volume 0.96230E-03 ppm1 8.678 ppm2 2.795 CV 1 ASSI { 2315} (( segid " " and resid 94 and name HD22)) (( segid " " and resid 94 and name HB2 )) 4.600 2.600 1.400 peak 2315 spectrum 1 weight 0.10000E+01 volume 0.71653E-03 ppm1 6.935 ppm2 3.395 CV 1 ASSI { 2316} (( segid " " and resid 94 and name HD22)) (( segid " " and resid 94 and name HB3 )) 4.200 2.200 1.800 peak 2316 spectrum 1 weight 0.10000E+01 volume 0.94171E-03 ppm1 6.935 ppm2 2.801 CV 1 ASSI { 2317} (( segid " " and resid 117 and name HN )) (( segid " " and resid 118 and name HN )) 4.100 2.100 1.900 peak 2317 spectrum 1 weight 0.10000E+01 volume 0.81905E-03 ppm1 8.307 ppm2 8.417 CV 1 ASSI { 2318} (( segid " " and resid 143 and name HN )) (( segid " " and resid 117 and name HA )) 4.200 2.200 1.800 peak 2318 spectrum 1 weight 0.10000E+01 volume 0.37287E-03 ppm1 8.596 ppm2 5.802 CV 1 ASSI { 2319} (( segid " " and resid 143 and name HN )) ( segid " " and resid 144 and name HD% ) 4.600 2.600 1.400 peak 2319 spectrum 1 weight 0.10000E+01 volume 0.35431E-03 ppm1 8.596 ppm2 6.847 CV 1 OR { 2319} (( segid " " and resid 143 and name HN )) ( segid " " and resid 144 and name HE% ) ASSI { 2323} (( segid " " and resid 74 and name HD22)) (( segid " " and resid 54 and name HB2 )) 4.100 2.100 1.900 peak 2323 spectrum 1 weight 0.10000E+01 volume 0.36032E-03 ppm1 7.181 ppm2 1.334 CV 1 ASSI { 2324} (( segid " " and resid 74 and name HD22)) (( segid " " and resid 50 and name HA )) 3.500 3.500 2.500 peak 2324 spectrum 1 weight 0.10000E+01 volume 0.48595E-03 ppm1 7.181 ppm2 4.266 CV 1 ASSI { 2325} (( segid " " and resid 74 and name HD22)) (( segid " " and resid 71 and name HA )) 3.900 1.900 1.900 peak 2325 spectrum 1 weight 0.10000E+01 volume 0.52427E-03 ppm1 7.181 ppm2 4.476 CV 1 ASSI { 2330} (( segid " " and resid 59 and name HD22)) (( segid " " and resid 32 and name HA1 )) 3.100 3.100 2.900 peak 2330 spectrum 1 weight 0.10000E+01 volume 0.55779E-03 ppm1 7.053 ppm2 4.432 CV 1 ASSI { 2331} (( segid " " and resid 59 and name HD22)) (( segid " " and resid 33 and name HG2 )) 3.700 1.700 1.700 peak 2331 spectrum 1 weight 0.10000E+01 volume 0.58860E-03 ppm1 7.053 ppm2 1.349 CV 1 ASSI { 2334} (( segid " " and resid 59 and name HD21)) (( segid " " and resid 32 and name HA1 )) 3.000 3.000 3.000 peak 2334 spectrum 1 weight 0.10000E+01 volume 0.71557E-03 ppm1 7.720 ppm2 4.420 CV 1 ASSI { 2336} (( segid " " and resid 59 and name HD21)) (( segid " " and resid 33 and name HG2 )) 3.700 1.700 1.700 peak 2336 spectrum 1 weight 0.10000E+01 volume 0.60319E-03 ppm1 7.720 ppm2 1.354 CV 1 ASSI { 2338} (( segid " " and resid 163 and name HN )) (( segid " " and resid 161 and name HB3 )) 4.100 2.100 1.900 peak 2338 spectrum 1 weight 0.10000E+01 volume 0.37915E-03 ppm1 7.983 ppm2 1.893 CV 1 ASSI { 2341} (( segid " " and resid 98 and name HD21)) (( segid " " and resid 98 and name HD22)) 2.000 0.500 0.500 peak 2341 spectrum 1 weight 0.10000E+01 volume 0.36259E-02 ppm1 7.598 ppm2 6.300 CV 1 ASSI { 2343} (( segid " " and resid 98 and name HD21)) (( segid " " and resid 72 and name HA )) 3.900 1.900 1.900 peak 2343 spectrum 1 weight 0.10000E+01 volume 0.10314E-02 ppm1 7.598 ppm2 4.588 CV 1 ASSI { 2344} (( segid " " and resid 98 and name HD21)) (( segid " " and resid 95 and name HA )) 3.700 1.700 1.700 peak 2344 spectrum 1 weight 0.10000E+01 volume 0.81544E-03 ppm1 7.598 ppm2 4.228 CV 1 ASSI { 2345} (( segid " " and resid 98 and name HD21)) (( segid " " and resid 74 and name HB2 )) 4.300 2.300 1.700 peak 2345 spectrum 1 weight 0.10000E+01 volume 0.61010E-03 ppm1 7.599 ppm2 3.185 CV 1 OR { 2345} (( segid " " and resid 98 and name HD21)) (( segid " " and resid 74 and name HB3 )) ASSI { 2346} (( segid " " and resid 98 and name HD21)) (( segid " " and resid 98 and name HB2 )) 3.600 1.700 1.700 peak 2346 spectrum 1 weight 0.10000E+01 volume 0.48301E-03 ppm1 7.598 ppm2 3.032 CV 1 ASSI { 2347} (( segid " " and resid 98 and name HD21)) (( segid " " and resid 98 and name HB3 )) 3.100 1.200 1.200 peak 2347 spectrum 1 weight 0.10000E+01 volume 0.76819E-03 ppm1 7.598 ppm2 2.778 CV 1 ASSI { 2354} (( segid " " and resid 98 and name HD22)) (( segid " " and resid 99 and name HN )) 3.300 1.400 1.400 peak 2354 spectrum 1 weight 0.10000E+01 volume 0.36125E-03 ppm1 6.302 ppm2 7.892 CV 1 ASSI { 2355} (( segid " " and resid 98 and name HD22)) (( segid " " and resid 73 and name HN )) 4.100 2.100 1.900 peak 2355 spectrum 1 weight 0.10000E+01 volume 0.49089E-03 ppm1 6.302 ppm2 8.862 CV 1 ASSI { 2358} (( segid " " and resid 98 and name HD22)) (( segid " " and resid 74 and name HB2 )) 3.800 1.800 1.800 peak 2358 spectrum 1 weight 0.10000E+01 volume 0.46112E-03 ppm1 6.302 ppm2 3.202 CV 1 OR { 2358} (( segid " " and resid 98 and name HD22)) (( segid " " and resid 74 and name HB3 )) ASSI { 2359} (( segid " " and resid 98 and name HD22)) (( segid " " and resid 72 and name HA )) 3.300 1.400 1.400 peak 2359 spectrum 1 weight 0.10000E+01 volume 0.62117E-03 ppm1 6.302 ppm2 4.587 CV 1 ASSI { 2360} (( segid " " and resid 98 and name HD22)) (( segid " " and resid 95 and name HA )) 3.200 1.300 1.300 peak 2360 spectrum 1 weight 0.10000E+01 volume 0.94652E-03 ppm1 6.302 ppm2 4.225 CV 1 ASSI { 2361} (( segid " " and resid 98 and name HD22)) (( segid " " and resid 98 and name HB2 )) 4.400 2.400 1.600 peak 2361 spectrum 1 weight 0.10000E+01 volume 0.58690E-03 ppm1 6.302 ppm2 3.038 CV 1 ASSI { 2363} (( segid " " and resid 98 and name HD22)) (( segid " " and resid 71 and name HB2 )) 3.600 1.600 1.600 peak 2363 spectrum 1 weight 0.10000E+01 volume 0.52787E-03 ppm1 6.302 ppm2 1.864 CV 1 ASSI { 2366} (( segid " " and resid 132 and name HN )) (( segid " " and resid 132 and name HE )) 5.100 3.200 0.900 peak 2366 spectrum 1 weight 0.10000E+01 volume 0.42841E-03 ppm1 8.217 ppm2 7.895 CV 1 ASSI { 2369} (( segid " " and resid 134 and name HD21)) ( segid " " and resid 103 and name HD1%) 4.600 2.600 1.400 peak 2369 spectrum 1 weight 0.10000E+01 volume 0.48595E-03 ppm1 7.333 ppm2 0.884 CV 1 ASSI { 2372} (( segid " " and resid 134 and name HD22)) ( segid " " and resid 103 and name HD1%) 3.200 1.300 1.300 peak 2372 spectrum 1 weight 0.10000E+01 volume 0.47447E-03 ppm1 7.217 ppm2 0.887 CV 1 ASSI { 2373} (( segid " " and resid 134 and name HD22)) ( segid " " and resid 130 and name HB% ) 3.100 1.200 1.200 peak 2373 spectrum 1 weight 0.10000E+01 volume 0.17569E-02 ppm1 7.217 ppm2 1.352 CV 1 ASSI { 2374} (( segid " " and resid 132 and name HE )) ( segid " " and resid 145 and name HD1%) 4.300 2.300 1.700 peak 2374 spectrum 1 weight 0.10000E+01 volume 0.39383E-03 ppm1 7.894 ppm2 -0.080 CV 1 ASSI { 2375} (( segid " " and resid 145 and name HN )) (( segid " " and resid 146 and name HN )) 4.700 2.700 1.300 peak 2375 spectrum 1 weight 0.10000E+01 volume 0.37287E-03 ppm1 8.995 ppm2 9.902 CV 1 ASSI { 2377} (( segid " " and resid 141 and name HE21)) (( segid " " and resid 115 and name HN )) 3.600 1.600 1.600 peak 2377 spectrum 1 weight 0.10000E+01 volume 0.57057E-03 ppm1 7.629 ppm2 7.015 CV 1 ASSI { 2380} (( segid " " and resid 141 and name HE21)) (( segid " " and resid 141 and name HG2 )) 2.900 1.000 1.000 peak 2380 spectrum 1 weight 0.10000E+01 volume 0.12528E-02 ppm1 7.629 ppm2 2.761 CV 1 ASSI { 2381} (( segid " " and resid 141 and name HE21)) (( segid " " and resid 141 and name HG3 )) 2.900 1.100 1.100 peak 2381 spectrum 1 weight 0.10000E+01 volume 0.15580E-02 ppm1 7.629 ppm2 2.665 CV 1 ASSI { 2382} (( segid " " and resid 141 and name HE21)) (( segid " " and resid 141 and name HB2 )) 4.400 2.400 1.600 peak 2382 spectrum 1 weight 0.10000E+01 volume 0.51505E-03 ppm1 7.629 ppm2 2.206 CV 1 ASSI { 2384} (( segid " " and resid 141 and name HE21)) (( segid " " and resid 115 and name HG )) 3.500 1.600 1.600 peak 2384 spectrum 1 weight 0.10000E+01 volume 0.89436E-03 ppm1 7.629 ppm2 1.351 CV 1 OR { 2384} (( segid " " and resid 141 and name HE21)) (( segid " " and resid 115 and name HB3 )) ASSI { 2392} (( segid " " and resid 141 and name HE22)) (( segid " " and resid 141 and name HG2 )) 4.300 2.300 1.700 peak 2392 spectrum 1 weight 0.10000E+01 volume 0.71653E-03 ppm1 6.030 ppm2 2.756 CV 1 ASSI { 2393} (( segid " " and resid 141 and name HE22)) (( segid " " and resid 141 and name HG3 )) 4.400 2.400 1.600 peak 2393 spectrum 1 weight 0.10000E+01 volume 0.73882E-03 ppm1 6.030 ppm2 2.669 CV 1 ASSI { 2397} (( segid " " and resid 141 and name HE22)) ( segid " " and resid 115 and name HD1%) 4.000 2.000 2.000 peak 2397 spectrum 1 weight 0.10000E+01 volume 0.59983E-03 ppm1 6.030 ppm2 0.850 CV 1 ASSI { 2399} (( segid " " and resid 134 and name HD21)) (( segid " " and resid 134 and name HA )) 4.400 2.400 1.600 peak 2399 spectrum 1 weight 0.10000E+01 volume 0.43014E-03 ppm1 7.333 ppm2 4.458 CV 1 ASSI { 2400} (( segid " " and resid 134 and name HD22)) (( segid " " and resid 134 and name HA )) 4.800 2.800 1.200 peak 2400 spectrum 1 weight 0.10000E+01 volume 0.41012E-03 ppm1 7.217 ppm2 4.461 CV 1 ASSI { 2401} (( segid " " and resid 127 and name HD21)) (( segid " " and resid 127 and name HN )) 3.000 1.100 1.100 peak 2401 spectrum 1 weight 0.10000E+01 volume 0.80942E-03 ppm1 7.377 ppm2 7.639 CV 1 ASSI { 2402} (( segid " " and resid 127 and name HD22)) (( segid " " and resid 127 and name HN )) 4.700 2.700 1.300 peak 2402 spectrum 1 weight 0.10000E+01 volume 0.71557E-03 ppm1 6.907 ppm2 7.643 CV 1 ASSI { 2403} (( segid " " and resid 127 and name HD21)) (( segid " " and resid 127 and name HA )) 4.400 2.400 1.600 peak 2403 spectrum 1 weight 0.10000E+01 volume 0.68125E-03 ppm1 7.377 ppm2 4.715 CV 1 ASSI { 2404} (( segid " " and resid 127 and name HD22)) (( segid " " and resid 127 and name HA )) 4.900 3.000 1.100 peak 2404 spectrum 1 weight 0.10000E+01 volume 0.65645E-03 ppm1 6.907 ppm2 4.715 CV 1 ASSI { 2406} (( segid " " and resid 127 and name HD21)) (( segid " " and resid 127 and name HB2 )) 2.800 1.000 1.000 peak 2406 spectrum 1 weight 0.10000E+01 volume 0.16768E-02 ppm1 7.377 ppm2 2.928 CV 1 ASSI { 2407} (( segid " " and resid 127 and name HD21)) (( segid " " and resid 127 and name HB3 )) 3.100 1.200 1.200 peak 2407 spectrum 1 weight 0.10000E+01 volume 0.28489E-02 ppm1 7.377 ppm2 2.745 CV 1 ASSI { 2409} (( segid " " and resid 127 and name HD21)) (( segid " " and resid 124 and name HB3 )) 3.600 1.600 1.600 peak 2409 spectrum 1 weight 0.10000E+01 volume 0.53975E-03 ppm1 7.377 ppm2 2.022 CV 1 ASSI { 2411} (( segid " " and resid 127 and name HD22)) (( segid " " and resid 127 and name HB2 )) 4.100 2.100 1.900 peak 2411 spectrum 1 weight 0.10000E+01 volume 0.12356E-02 ppm1 6.907 ppm2 2.928 CV 1 ASSI { 2412} (( segid " " and resid 127 and name HD22)) (( segid " " and resid 127 and name HB3 )) 4.000 2.000 2.000 peak 2412 spectrum 1 weight 0.10000E+01 volume 0.20506E-02 ppm1 6.907 ppm2 2.753 CV 1 ASSI { 2414} (( segid " " and resid 127 and name HD22)) (( segid " " and resid 124 and name HB3 )) 3.900 1.900 1.900 peak 2414 spectrum 1 weight 0.10000E+01 volume 0.48168E-03 ppm1 6.907 ppm2 2.035 CV 1 ASSI { 2415} (( segid " " and resid 127 and name HD22)) (( segid " " and resid 124 and name HG3 )) 3.100 3.100 2.900 peak 2415 spectrum 1 weight 0.10000E+01 volume 0.58780E-03 ppm1 6.907 ppm2 2.358 CV 1 OR { 2415} (( segid " " and resid 127 and name HD22)) (( segid " " and resid 124 and name HG2 )) ASSI { 2418} (( segid " " and resid 134 and name HD22)) (( segid " " and resid 134 and name HB2 )) 4.100 2.100 1.900 peak 2418 spectrum 1 weight 0.10000E+01 volume 0.11446E-02 ppm1 7.217 ppm2 2.902 CV 1 ASSI { 2420} (( segid " " and resid 114 and name HD21)) (( segid " " and resid 89 and name HA )) 3.200 1.300 1.300 peak 2420 spectrum 1 weight 0.10000E+01 volume 0.13510E-02 ppm1 7.229 ppm2 4.899 CV 1 ASSI { 2423} (( segid " " and resid 114 and name HD21)) (( segid " " and resid 114 and name HN )) 4.200 2.200 1.800 peak 2423 spectrum 1 weight 0.10000E+01 volume 0.51329E-03 ppm1 7.229 ppm2 9.019 CV 1 ASSI { 2424} (( segid " " and resid 114 and name HD22)) (( segid " " and resid 114 and name HN )) 4.600 2.600 1.400 peak 2424 spectrum 1 weight 0.10000E+01 volume 0.45257E-03 ppm1 7.150 ppm2 9.012 CV 1 ASSI { 2425} (( segid " " and resid 114 and name HD22)) (( segid " " and resid 89 and name HA )) 3.800 1.800 1.800 peak 2425 spectrum 1 weight 0.10000E+01 volume 0.10448E-02 ppm1 7.150 ppm2 4.901 CV 1 ASSI { 2430} (( segid " " and resid 89 and name HD22)) (( segid " " and resid 65 and name HA )) 4.300 2.300 1.700 peak 2430 spectrum 1 weight 0.10000E+01 volume 0.55428E-03 ppm1 7.038 ppm2 4.405 CV 1 ASSI { 2432} (( segid " " and resid 89 and name HD22)) (( segid " " and resid 64 and name HA )) 4.300 2.300 1.700 peak 2432 spectrum 1 weight 0.10000E+01 volume 0.60063E-03 ppm1 7.038 ppm2 4.319 CV 1 ASSI { 2433} (( segid " " and resid 89 and name HD22)) (( segid " " and resid 89 and name HB2 )) 3.700 1.700 1.700 peak 2433 spectrum 1 weight 0.10000E+01 volume 0.20453E-02 ppm1 7.038 ppm2 2.792 CV 1 ASSI { 2434} (( segid " " and resid 89 and name HD22)) (( segid " " and resid 89 and name HB3 )) 3.900 1.900 1.900 peak 2434 spectrum 1 weight 0.10000E+01 volume 0.22589E-02 ppm1 7.038 ppm2 2.608 CV 1 ASSI { 2435} (( segid " " and resid 89 and name HD22)) (( segid " " and resid 88 and name HG2 )) 3.700 1.800 1.800 peak 2435 spectrum 1 weight 0.10000E+01 volume 0.42534E-03 ppm1 7.038 ppm2 1.988 CV 1 ASSI { 2436} (( segid " " and resid 89 and name HD22)) (( segid " " and resid 88 and name HG3 )) 4.500 2.600 1.500 peak 2436 spectrum 1 weight 0.10000E+01 volume 0.82396E-03 ppm1 7.038 ppm2 1.870 CV 1 ASSI { 2437} (( segid " " and resid 64 and name HD21)) (( segid " " and resid 62 and name HG2 )) 3.700 1.700 1.700 peak 2437 spectrum 1 weight 0.10000E+01 volume 0.43255E-03 ppm1 7.554 ppm2 1.509 CV 1 OR { 2437} (( segid " " and resid 64 and name HD21)) (( segid " " and resid 62 and name HG3 )) ASSI { 2439} (( segid " " and resid 64 and name HD22)) (( segid " " and resid 62 and name HG3 )) 3.200 3.200 2.800 peak 2439 spectrum 1 weight 0.10000E+01 volume 0.45324E-03 ppm1 6.836 ppm2 1.486 CV 1 ASSI { 2440} (( segid " " and resid 26 and name HD21)) (( segid " " and resid 26 and name HA )) 4.200 2.200 1.800 peak 2440 spectrum 1 weight 0.10000E+01 volume 0.56886E-03 ppm1 7.514 ppm2 4.516 CV 1 ASSI { 2441} (( segid " " and resid 26 and name HD21)) (( segid " " and resid 26 and name HB2 )) 2.800 1.000 1.000 peak 2441 spectrum 1 weight 0.10000E+01 volume 0.24778E-02 ppm1 7.514 ppm2 3.147 CV 1 ASSI { 2443} (( segid " " and resid 26 and name HD21)) (( segid " " and resid 25 and name HB2 )) 4.000 2.000 2.000 peak 2443 spectrum 1 weight 0.10000E+01 volume 0.43562E-03 ppm1 7.514 ppm2 2.522 CV 1 ASSI { 2444} (( segid " " and resid 26 and name HD21)) (( segid " " and resid 25 and name HB3 )) 3.900 1.900 1.900 peak 2444 spectrum 1 weight 0.10000E+01 volume 0.45631E-03 ppm1 7.514 ppm2 2.414 CV 1 ASSI { 2445} (( segid " " and resid 26 and name HD22)) (( segid " " and resid 26 and name HA )) 4.800 2.900 1.200 peak 2445 spectrum 1 weight 0.10000E+01 volume 0.44590E-03 ppm1 6.944 ppm2 4.512 CV 1 ASSI { 2447} (( segid " " and resid 26 and name HD22)) (( segid " " and resid 26 and name HB2 )) 3.900 1.900 1.900 peak 2447 spectrum 1 weight 0.10000E+01 volume 0.18156E-02 ppm1 6.944 ppm2 3.139 CV 1 ASSI { 2448} (( segid " " and resid 26 and name HD22)) (( segid " " and resid 26 and name HB3 )) 4.400 2.400 1.600 peak 2448 spectrum 1 weight 0.10000E+01 volume 0.10484E-02 ppm1 6.944 ppm2 2.972 CV 1 ASSI { 2452} (( segid " " and resid 13 and name HD21)) (( segid " " and resid 13 and name HA )) 4.500 2.500 1.500 peak 2452 spectrum 1 weight 0.10000E+01 volume 0.46779E-03 ppm1 7.577 ppm2 4.403 CV 1 ASSI { 2453} (( segid " " and resid 13 and name HD21)) (( segid " " and resid 13 and name HB2 )) 3.100 1.200 1.200 peak 2453 spectrum 1 weight 0.10000E+01 volume 0.12974E-02 ppm1 7.577 ppm2 3.037 CV 1 ASSI { 2454} (( segid " " and resid 13 and name HD21)) (( segid " " and resid 13 and name HB3 )) 2.900 1.000 1.000 peak 2454 spectrum 1 weight 0.10000E+01 volume 0.28623E-02 ppm1 7.577 ppm2 2.929 CV 1 ASSI { 2456} (( segid " " and resid 13 and name HD22)) (( segid " " and resid 13 and name HA )) 5.000 3.200 1.000 peak 2456 spectrum 1 weight 0.10000E+01 volume 0.43134E-03 ppm1 6.850 ppm2 4.400 CV 1 ASSI { 2463} (( segid " " and resid 14 and name HE )) (( segid " " and resid 11 and name HA )) 3.600 1.600 1.600 peak 2463 spectrum 1 weight 0.10000E+01 volume 0.96471E-03 ppm1 7.074 ppm2 4.000 CV 1 ASSI { 2464} (( segid " " and resid 14 and name HE )) (( segid " " and resid 14 and name HB2 )) 3.600 1.700 1.700 peak 2464 spectrum 1 weight 0.10000E+01 volume 0.11155E-02 ppm1 7.074 ppm2 1.939 CV 1 ASSI { 2465} (( segid " " and resid 14 and name HE )) (( segid " " and resid 14 and name HB3 )) 3.200 1.300 1.300 peak 2465 spectrum 1 weight 0.10000E+01 volume 0.23376E-02 ppm1 7.074 ppm2 1.837 CV 1 ASSI { 2466} (( segid " " and resid 14 and name HE )) (( segid " " and resid 14 and name HG2 )) 2.800 1.000 1.000 peak 2466 spectrum 1 weight 0.10000E+01 volume 0.24337E-02 ppm1 7.074 ppm2 1.747 CV 1 OR { 2466} (( segid " " and resid 14 and name HE )) (( segid " " and resid 14 and name HG3 )) ASSI { 2467} (( segid " " and resid 14 and name HE )) ( segid " " and resid 19 and name HG2%) 3.600 1.600 1.600 peak 2467 spectrum 1 weight 0.10000E+01 volume 0.94531E-03 ppm1 7.074 ppm2 0.967 CV 1 OR { 2467} (( segid " " and resid 14 and name HE )) ( segid " " and resid 19 and name HG1%) ASSI { 2469} (( segid " " and resid 132 and name HE )) (( segid " " and resid 132 and name HH22)) 3.200 1.300 1.300 peak 2469 spectrum 1 weight 0.10000E+01 volume 0.12991E-02 ppm1 7.894 ppm2 6.226 CV 1 OR { 2469} (( segid " " and resid 132 and name HE )) (( segid " " and resid 132 and name HH21)) ASSI { 4} (( segid " " and resid 1 and name HB2 )) (( segid " " and resid 1 and name HA )) 2.800 1.000 1.000 peak 4 spectrum 1 weight 0.10000E+01 volume 0.32337E-02 ppm1 2.152 ppm2 4.518 CV 1 ASSI { 5} (( segid " " and resid 1 and name HB3 )) (( segid " " and resid 1 and name HA )) 2.500 0.800 0.800 peak 5 spectrum 1 weight 0.10000E+01 volume 0.35109E-02 ppm1 2.087 ppm2 4.518 CV 1 ASSI { 13} (( segid " " and resid 5 and name HB3 )) (( segid " " and resid 5 and name HA )) 2.400 0.700 0.700 peak 13 spectrum 1 weight 0.10000E+01 volume 0.47138E-02 ppm1 1.989 ppm2 4.151 CV 1 OR { 13} (( segid " " and resid 5 and name HB2 )) (( segid " " and resid 5 and name HA )) ASSI { 17} (( segid " " and resid 5 and name HG2 )) (( segid " " and resid 5 and name HA )) 3.100 1.200 1.200 peak 17 spectrum 1 weight 0.10000E+01 volume 0.19939E-02 ppm1 1.619 ppm2 4.155 CV 1 ASSI { 23} (( segid " " and resid 7 and name HA )) (( segid " " and resid 7 and name HN )) 2.900 1.100 1.100 peak 23 spectrum 1 weight 0.10000E+01 volume 0.18532E-02 ppm1 3.424 ppm2 8.427 CV 1 ASSI { 29} (( segid " " and resid 8 and name HB2 )) (( segid " " and resid 8 and name HN )) 2.400 0.700 0.700 peak 29 spectrum 1 weight 0.10000E+01 volume 0.55398E-02 ppm1 3.241 ppm2 7.692 CV 1 ASSI { 32} (( segid " " and resid 9 and name HB2 )) (( segid " " and resid 9 and name HA )) 2.400 0.700 0.700 peak 32 spectrum 1 weight 0.10000E+01 volume 0.41505E-02 ppm1 1.937 ppm2 4.095 CV 1 ASSI { 33} (( segid " " and resid 9 and name HB3 )) (( segid " " and resid 9 and name HA )) 2.900 1.100 1.100 peak 33 spectrum 1 weight 0.10000E+01 volume 0.35598E-02 ppm1 1.823 ppm2 4.094 CV 1 ASSI { 35} (( segid " " and resid 9 and name HB3 )) (( segid " " and resid 6 and name HA )) 2.900 1.100 1.100 peak 35 spectrum 1 weight 0.10000E+01 volume 0.13275E-02 ppm1 1.823 ppm2 4.264 CV 1 ASSI { 37} (( segid " " and resid 9 and name HB3 )) (( segid " " and resid 9 and name HN )) 2.600 0.800 0.800 peak 37 spectrum 1 weight 0.10000E+01 volume 0.33101E-02 ppm1 1.824 ppm2 8.075 CV 1 ASSI { 38} (( segid " " and resid 9 and name HB2 )) (( segid " " and resid 10 and name HN )) 3.900 1.900 1.900 peak 38 spectrum 1 weight 0.10000E+01 volume 0.14843E-02 ppm1 1.937 ppm2 8.393 CV 1 ASSI { 39} (( segid " " and resid 9 and name HB3 )) (( segid " " and resid 10 and name HN )) 2.700 0.900 0.900 peak 39 spectrum 1 weight 0.10000E+01 volume 0.15897E-02 ppm1 1.824 ppm2 8.393 CV 1 ASSI { 41} (( segid " " and resid 9 and name HG )) ( segid " " and resid 9 and name HD1%) 2.300 0.600 0.600 peak 41 spectrum 1 weight 0.10000E+01 volume 0.90904E-02 ppm1 1.846 ppm2 0.958 CV 1 OR { 41} (( segid " " and resid 9 and name HG )) ( segid " " and resid 9 and name HD2%) ASSI { 42} (( segid " " and resid 9 and name HG )) (( segid " " and resid 9 and name HA )) 3.000 1.200 1.200 peak 42 spectrum 1 weight 0.10000E+01 volume 0.26704E-02 ppm1 1.846 ppm2 4.096 CV 1 ASSI { 43} (( segid " " and resid 9 and name HG )) (( segid " " and resid 9 and name HN )) 3.700 1.700 1.700 peak 43 spectrum 1 weight 0.10000E+01 volume 0.32486E-02 ppm1 1.846 ppm2 8.081 CV 1 ASSI { 44} (( segid " " and resid 9 and name HG )) (( segid " " and resid 10 and name HN )) 3.800 1.800 1.800 peak 44 spectrum 1 weight 0.10000E+01 volume 0.78327E-03 ppm1 1.846 ppm2 8.394 CV 1 ASSI { 51} (( segid " " and resid 10 and name HB2 )) (( segid " " and resid 10 and name HA )) 3.200 1.300 1.300 peak 51 spectrum 1 weight 0.10000E+01 volume 0.25095E-02 ppm1 2.153 ppm2 4.128 CV 1 ASSI { 52} (( segid " " and resid 10 and name HB3 )) (( segid " " and resid 10 and name HA )) 2.800 1.000 1.000 peak 52 spectrum 1 weight 0.10000E+01 volume 0.20184E-02 ppm1 2.018 ppm2 4.128 CV 1 ASSI { 56} (( segid " " and resid 10 and name HB2 )) ( segid " " and resid 22 and name HD1%) 2.900 1.100 1.100 peak 56 spectrum 1 weight 0.10000E+01 volume 0.27468E-02 ppm1 2.153 ppm2 0.707 CV 1 OR { 56} (( segid " " and resid 10 and name HB2 )) ( segid " " and resid 22 and name HD2%) ASSI { 68} ( segid " " and resid 11 and name HD1%) (( segid " " and resid 16 and name HD2 )) 4.200 2.200 1.800 peak 68 spectrum 1 weight 0.10000E+01 volume 0.15915E-02 ppm1 0.959 ppm2 3.830 CV 1 ASSI { 69} ( segid " " and resid 11 and name HD1%) (( segid " " and resid 11 and name HA )) 4.100 2.100 1.900 peak 69 spectrum 1 weight 0.10000E+01 volume 0.19098E-02 ppm1 0.959 ppm2 3.999 CV 1 ASSI { 70} ( segid " " and resid 11 and name HD1%) (( segid " " and resid 8 and name HA )) 2.600 0.800 0.800 peak 70 spectrum 1 weight 0.10000E+01 volume 0.47138E-02 ppm1 0.959 ppm2 4.211 CV 1 ASSI { 71} ( segid " " and resid 11 and name HD1%) (( segid " " and resid 11 and name HN )) 3.900 1.900 1.900 peak 71 spectrum 1 weight 0.10000E+01 volume 0.18365E-02 ppm1 0.959 ppm2 8.156 CV 1 ASSI { 75} (( segid " " and resid 12 and name HB2 )) (( segid " " and resid 12 and name HA )) 2.500 0.800 0.800 peak 75 spectrum 1 weight 0.10000E+01 volume 0.49576E-02 ppm1 1.853 ppm2 3.962 CV 1 OR { 75} (( segid " " and resid 12 and name HB3 )) (( segid " " and resid 12 and name HA )) ASSI { 96} (( segid " " and resid 16 and name HB2 )) (( segid " " and resid 16 and name HA )) 3.100 1.200 1.200 peak 96 spectrum 1 weight 0.10000E+01 volume 0.20970E-02 ppm1 1.089 ppm2 3.456 CV 1 ASSI { 97} (( segid " " and resid 16 and name HB3 )) (( segid " " and resid 16 and name HA )) 2.400 0.700 0.700 peak 97 spectrum 1 weight 0.10000E+01 volume 0.28159E-02 ppm1 0.347 ppm2 3.459 CV 1 ASSI { 101} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 15 and name HB )) 2.100 0.500 0.500 peak 101 spectrum 1 weight 0.10000E+01 volume 0.12983E-01 ppm1 1.222 ppm2 4.286 CV 1 ASSI { 102} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 15 and name HA )) 2.400 0.700 0.700 peak 102 spectrum 1 weight 0.10000E+01 volume 0.84761E-02 ppm1 1.221 ppm2 4.734 CV 1 ASSI { 103} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 15 and name HN )) 2.600 0.800 0.800 peak 103 spectrum 1 weight 0.10000E+01 volume 0.47811E-02 ppm1 1.222 ppm2 8.520 CV 1 ASSI { 104} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 17 and name HN )) 3.600 1.600 1.600 peak 104 spectrum 1 weight 0.10000E+01 volume 0.43561E-02 ppm1 1.221 ppm2 7.822 CV 1 ASSI { 107} (( segid " " and resid 16 and name HD2 )) (( segid " " and resid 15 and name HA )) 2.600 0.800 0.800 peak 107 spectrum 1 weight 0.10000E+01 volume 0.48044E-02 ppm1 3.828 ppm2 4.728 CV 1 ASSI { 108} (( segid " " and resid 16 and name HD3 )) (( segid " " and resid 15 and name HA )) 2.300 0.700 0.700 peak 108 spectrum 1 weight 0.10000E+01 volume 0.35324E-02 ppm1 3.709 ppm2 4.726 CV 1 ASSI { 109} (( segid " " and resid 16 and name HD2 )) (( segid " " and resid 15 and name HB )) 2.200 0.600 0.600 peak 109 spectrum 1 weight 0.10000E+01 volume 0.23790E-02 ppm1 3.829 ppm2 4.293 CV 1 ASSI { 113} (( segid " " and resid 16 and name HG2 )) (( segid " " and resid 16 and name HB3 )) 2.800 1.000 1.000 peak 113 spectrum 1 weight 0.10000E+01 volume 0.27199E-02 ppm1 1.844 ppm2 0.349 CV 1 ASSI { 114} (( segid " " and resid 16 and name HG3 )) (( segid " " and resid 16 and name HB3 )) 2.400 0.700 0.700 peak 114 spectrum 1 weight 0.10000E+01 volume 0.24862E-02 ppm1 1.483 ppm2 0.349 CV 1 ASSI { 118} (( segid " " and resid 18 and name HB2 )) (( segid " " and resid 18 and name HA )) 3.000 1.100 1.100 peak 118 spectrum 1 weight 0.10000E+01 volume 0.31068E-02 ppm1 2.841 ppm2 4.711 CV 1 ASSI { 119} (( segid " " and resid 18 and name HB3 )) (( segid " " and resid 18 and name HA )) 2.800 1.000 1.000 peak 119 spectrum 1 weight 0.10000E+01 volume 0.32337E-02 ppm1 2.764 ppm2 4.711 CV 1 ASSI { 127} ( segid " " and resid 19 and name HG2%) (( segid " " and resid 19 and name HB )) 2.200 0.600 0.600 peak 127 spectrum 1 weight 0.10000E+01 volume 0.98530E-02 ppm1 0.961 ppm2 2.302 CV 1 ASSI { 128} ( segid " " and resid 19 and name HG2%) (( segid " " and resid 19 and name HA )) 2.300 0.700 0.700 peak 128 spectrum 1 weight 0.10000E+01 volume 0.71648E-02 ppm1 0.961 ppm2 3.845 CV 1 ASSI { 132} (( segid " " and resid 20 and name HB2 )) (( segid " " and resid 20 and name HA )) 2.800 1.000 1.000 peak 132 spectrum 1 weight 0.10000E+01 volume 0.26895E-02 ppm1 2.070 ppm2 4.891 CV 1 ASSI { 133} (( segid " " and resid 20 and name HB3 )) (( segid " " and resid 20 and name HA )) 3.000 1.100 1.100 peak 133 spectrum 1 weight 0.10000E+01 volume 0.24368E-02 ppm1 1.902 ppm2 4.891 CV 1 ASSI { 142} (( segid " " and resid 20 and name HD3 )) (( segid " " and resid 20 and name HA )) 3.900 1.900 1.900 peak 142 spectrum 1 weight 0.10000E+01 volume 0.17340E-02 ppm1 1.734 ppm2 4.890 CV 1 ASSI { 143} (( segid " " and resid 20 and name HD2 )) (( segid " " and resid 20 and name HA )) 4.000 2.000 2.000 peak 143 spectrum 1 weight 0.10000E+01 volume 0.15188E-02 ppm1 1.783 ppm2 4.887 CV 1 ASSI { 148} (( segid " " and resid 21 and name HB2 )) (( segid " " and resid 21 and name HN )) 2.900 1.000 1.000 peak 148 spectrum 1 weight 0.10000E+01 volume 0.21292E-02 ppm1 2.164 ppm2 7.755 CV 1 ASSI { 150} (( segid " " and resid 21 and name HB2 )) (( segid " " and resid 21 and name HA )) 3.000 1.100 1.100 peak 150 spectrum 1 weight 0.10000E+01 volume 0.29387E-02 ppm1 2.164 ppm2 5.467 CV 1 ASSI { 151} (( segid " " and resid 21 and name HB3 )) (( segid " " and resid 21 and name HA )) 2.500 0.800 0.800 peak 151 spectrum 1 weight 0.10000E+01 volume 0.29882E-02 ppm1 2.083 ppm2 5.467 CV 1 ASSI { 155} (( segid " " and resid 21 and name HG3 )) (( segid " " and resid 21 and name HA )) 3.400 1.500 1.500 peak 155 spectrum 1 weight 0.10000E+01 volume 0.15266E-02 ppm1 2.265 ppm2 5.461 CV 1 ASSI { 158} (( segid " " and resid 22 and name HB3 )) (( segid " " and resid 22 and name HA )) 3.200 1.200 1.200 peak 158 spectrum 1 weight 0.10000E+01 volume 0.21536E-02 ppm1 1.302 ppm2 4.623 CV 1 ASSI { 159} (( segid " " and resid 22 and name HB2 )) (( segid " " and resid 22 and name HA )) 2.700 0.900 0.900 peak 159 spectrum 1 weight 0.10000E+01 volume 0.18532E-02 ppm1 1.354 ppm2 4.625 CV 1 ASSI { 162} (( segid " " and resid 22 and name HB2 )) (( segid " " and resid 47 and name HA )) 4.300 2.300 1.700 peak 162 spectrum 1 weight 0.10000E+01 volume 0.73557E-03 ppm1 1.354 ppm2 4.979 CV 1 ASSI { 163} (( segid " " and resid 22 and name HB3 )) (( segid " " and resid 47 and name HA )) 3.500 1.500 1.500 peak 163 spectrum 1 weight 0.10000E+01 volume 0.70756E-03 ppm1 1.302 ppm2 4.983 CV 1 ASSI { 166} (( segid " " and resid 22 and name HB3 )) ( segid " " and resid 22 and name HD2%) 2.400 0.700 0.700 peak 166 spectrum 1 weight 0.10000E+01 volume 0.12518E-01 ppm1 1.302 ppm2 0.713 CV 1 OR { 166} (( segid " " and resid 22 and name HB3 )) ( segid " " and resid 22 and name HD1%) ASSI { 167} (( segid " " and resid 22 and name HB2 )) ( segid " " and resid 22 and name HD1%) 2.300 0.700 0.700 peak 167 spectrum 1 weight 0.10000E+01 volume 0.10205E-01 ppm1 1.354 ppm2 0.713 CV 1 OR { 167} (( segid " " and resid 22 and name HB2 )) ( segid " " and resid 22 and name HD2%) ASSI { 168} (( segid " " and resid 22 and name HB2 )) ( segid " " and resid 19 and name HG1%) 3.000 1.100 1.100 peak 168 spectrum 1 weight 0.10000E+01 volume 0.12989E-02 ppm1 1.354 ppm2 0.985 CV 1 ASSI { 169} (( segid " " and resid 22 and name HB3 )) ( segid " " and resid 19 and name HG1%) 3.600 1.700 1.700 peak 169 spectrum 1 weight 0.10000E+01 volume 0.17447E-02 ppm1 1.302 ppm2 0.985 CV 1 ASSI { 173} ( segid " " and resid 22 and name HD1%) (( segid " " and resid 22 and name HA )) 2.400 0.700 0.700 peak 173 spectrum 1 weight 0.10000E+01 volume 0.83748E-02 ppm1 0.714 ppm2 4.625 CV 1 OR { 173} ( segid " " and resid 22 and name HD2%) (( segid " " and resid 22 and name HA )) ASSI { 174} ( segid " " and resid 22 and name HD1%) (( segid " " and resid 22 and name HN )) 3.600 1.600 1.600 peak 174 spectrum 1 weight 0.10000E+01 volume 0.27658E-02 ppm1 0.715 ppm2 8.160 CV 1 OR { 174} ( segid " " and resid 22 and name HD2%) (( segid " " and resid 22 and name HN )) ASSI { 175} ( segid " " and resid 22 and name HD1%) (( segid " " and resid 23 and name HN )) 2.900 1.000 1.000 peak 175 spectrum 1 weight 0.10000E+01 volume 0.38411E-02 ppm1 0.715 ppm2 9.040 CV 1 OR { 175} ( segid " " and resid 22 and name HD2%) (( segid " " and resid 23 and name HN )) ASSI { 177} (( segid " " and resid 23 and name HB )) (( segid " " and resid 23 and name HA )) 3.200 1.300 1.300 peak 177 spectrum 1 weight 0.10000E+01 volume 0.13334E-02 ppm1 2.036 ppm2 4.183 CV 1 ASSI { 178} (( segid " " and resid 23 and name HB )) (( segid " " and resid 23 and name HN )) 2.600 0.800 0.800 peak 178 spectrum 1 weight 0.10000E+01 volume 0.39824E-02 ppm1 2.035 ppm2 9.039 CV 1 ASSI { 180} ( segid " " and resid 23 and name HG2%) (( segid " " and resid 23 and name HA )) 2.500 0.800 0.800 peak 180 spectrum 1 weight 0.10000E+01 volume 0.57467E-02 ppm1 0.795 ppm2 4.182 CV 1 ASSI { 181} ( segid " " and resid 23 and name HG2%) (( segid " " and resid 23 and name HN )) 2.600 0.900 0.900 peak 181 spectrum 1 weight 0.10000E+01 volume 0.57312E-02 ppm1 0.795 ppm2 9.042 CV 1 ASSI { 185} (( segid " " and resid 24 and name HB3 )) (( segid " " and resid 24 and name HA )) 3.100 1.200 1.200 peak 185 spectrum 1 weight 0.10000E+01 volume 0.15188E-02 ppm1 1.643 ppm2 4.423 CV 1 OR { 185} (( segid " " and resid 24 and name HB2 )) (( segid " " and resid 24 and name HA )) ASSI { 186} (( segid " " and resid 24 and name HB2 )) (( segid " " and resid 24 and name HN )) 3.400 1.400 1.400 peak 186 spectrum 1 weight 0.10000E+01 volume 0.85181E-03 ppm1 1.644 ppm2 8.944 CV 1 OR { 186} (( segid " " and resid 24 and name HB3 )) (( segid " " and resid 24 and name HN )) ASSI { 189} (( segid " " and resid 24 and name HG )) (( segid " " and resid 24 and name HN )) 3.000 1.100 1.100 peak 189 spectrum 1 weight 0.10000E+01 volume 0.18365E-02 ppm1 1.381 ppm2 8.944 CV 1 ASSI { 195} (( segid " " and resid 25 and name HB2 )) (( segid " " and resid 25 and name HA )) 3.300 1.400 1.400 peak 195 spectrum 1 weight 0.10000E+01 volume 0.15802E-02 ppm1 2.529 ppm2 4.507 CV 1 ASSI { 196} (( segid " " and resid 25 and name HB3 )) (( segid " " and resid 25 and name HA )) 3.200 1.300 1.300 peak 196 spectrum 1 weight 0.10000E+01 volume 0.13639E-02 ppm1 2.420 ppm2 4.506 CV 1 ASSI { 199} (( segid " " and resid 26 and name HB2 )) (( segid " " and resid 26 and name HA )) 3.300 1.400 1.400 peak 199 spectrum 1 weight 0.10000E+01 volume 0.19534E-02 ppm1 3.141 ppm2 4.521 CV 1 ASSI { 200} (( segid " " and resid 26 and name HB3 )) (( segid " " and resid 26 and name HA )) 2.600 0.800 0.800 peak 200 spectrum 1 weight 0.10000E+01 volume 0.40909E-02 ppm1 2.969 ppm2 4.521 CV 1 ASSI { 202} (( segid " " and resid 26 and name HB3 )) (( segid " " and resid 26 and name HD21)) 3.000 1.100 1.100 peak 202 spectrum 1 weight 0.10000E+01 volume 0.26472E-02 ppm1 2.970 ppm2 7.511 CV 1 ASSI { 207} (( segid " " and resid 87 and name HB2 )) (( segid " " and resid 87 and name HA )) 2.900 1.000 1.000 peak 207 spectrum 1 weight 0.10000E+01 volume 0.27933E-02 ppm1 3.088 ppm2 5.066 CV 1 ASSI { 208} (( segid " " and resid 87 and name HB3 )) (( segid " " and resid 87 and name HA )) 2.400 0.700 0.700 peak 208 spectrum 1 weight 0.10000E+01 volume 0.38358E-02 ppm1 2.821 ppm2 5.068 CV 1 ASSI { 211} (( segid " " and resid 27 and name HB3 )) (( segid " " and resid 27 and name HA )) 3.400 1.400 1.400 peak 211 spectrum 1 weight 0.10000E+01 volume 0.96566E-03 ppm1 2.861 ppm2 5.032 CV 1 ASSI { 212} (( segid " " and resid 27 and name HB3 )) (( segid " " and resid 27 and name HN )) 3.900 1.900 1.900 peak 212 spectrum 1 weight 0.10000E+01 volume 0.77490E-03 ppm1 2.861 ppm2 7.667 CV 1 ASSI { 213} (( segid " " and resid 27 and name HB3 )) (( segid " " and resid 28 and name HN )) 3.800 1.800 1.800 peak 213 spectrum 1 weight 0.10000E+01 volume 0.11635E-02 ppm1 2.861 ppm2 8.152 CV 1 ASSI { 217} (( segid " " and resid 28 and name HB2 )) (( segid " " and resid 28 and name HA )) 3.400 1.400 1.400 peak 217 spectrum 1 weight 0.10000E+01 volume 0.75105E-03 ppm1 1.729 ppm2 4.647 CV 1 ASSI { 218} (( segid " " and resid 28 and name HB3 )) (( segid " " and resid 28 and name HA )) 3.200 1.300 1.300 peak 218 spectrum 1 weight 0.10000E+01 volume 0.15552E-02 ppm1 1.580 ppm2 4.647 CV 1 ASSI { 223} (( segid " " and resid 32 and name HA2 )) (( segid " " and resid 32 and name HN )) 3.700 1.700 1.700 peak 223 spectrum 1 weight 0.10000E+01 volume 0.91024E-03 ppm1 4.001 ppm2 7.667 CV 1 ASSI { 224} (( segid " " and resid 32 and name HA1 )) (( segid " " and resid 32 and name HN )) 2.700 0.900 0.900 peak 224 spectrum 1 weight 0.10000E+01 volume 0.30531E-02 ppm1 4.443 ppm2 7.666 CV 1 ASSI { 227} (( segid " " and resid 33 and name HD2 )) (( segid " " and resid 33 and name HA )) 4.700 2.800 1.300 peak 227 spectrum 1 weight 0.10000E+01 volume 0.48420E-03 ppm1 1.579 ppm2 5.099 CV 1 ASSI { 228} (( segid " " and resid 33 and name HD3 )) (( segid " " and resid 33 and name HN )) 4.600 2.700 1.400 peak 228 spectrum 1 weight 0.10000E+01 volume 0.61992E-03 ppm1 1.529 ppm2 7.487 CV 1 ASSI { 229} (( segid " " and resid 33 and name HD2 )) (( segid " " and resid 33 and name HN )) 4.500 2.600 1.500 peak 229 spectrum 1 weight 0.10000E+01 volume 0.55328E-03 ppm1 1.579 ppm2 7.487 CV 1 ASSI { 242} (( segid " " and resid 37 and name HB2 )) (( segid " " and resid 37 and name HA )) 2.800 0.900 0.900 peak 242 spectrum 1 weight 0.10000E+01 volume 0.26436E-02 ppm1 1.243 ppm2 4.261 CV 1 ASSI { 245} (( segid " " and resid 37 and name HB3 )) (( segid " " and resid 37 and name HA )) 2.600 0.800 0.800 peak 245 spectrum 1 weight 0.10000E+01 volume 0.24368E-02 ppm1 1.007 ppm2 4.267 CV 1 ASSI { 247} (( segid " " and resid 37 and name HB2 )) (( segid " " and resid 38 and name HN )) 4.000 2.000 2.000 peak 247 spectrum 1 weight 0.10000E+01 volume 0.12506E-02 ppm1 1.243 ppm2 6.831 CV 1 ASSI { 248} (( segid " " and resid 37 and name HB3 )) (( segid " " and resid 38 and name HN )) 3.800 1.800 1.800 peak 248 spectrum 1 weight 0.10000E+01 volume 0.81664E-03 ppm1 1.007 ppm2 6.831 CV 1 ASSI { 250} (( segid " " and resid 37 and name HG )) (( segid " " and resid 37 and name HA )) 2.900 1.100 1.100 peak 250 spectrum 1 weight 0.10000E+01 volume 0.14157E-02 ppm1 1.180 ppm2 4.265 CV 1 ASSI { 251} (( segid " " and resid 37 and name HG )) (( segid " " and resid 37 and name HN )) 3.300 1.400 1.400 peak 251 spectrum 1 weight 0.10000E+01 volume 0.13543E-02 ppm1 1.180 ppm2 7.114 CV 1 ASSI { 252} (( segid " " and resid 37 and name HG )) (( segid " " and resid 38 and name HN )) 4.400 2.400 1.600 peak 252 spectrum 1 weight 0.10000E+01 volume 0.75942E-03 ppm1 1.180 ppm2 6.820 CV 1 ASSI { 254} ( segid " " and resid 37 and name HD2%) (( segid " " and resid 61 and name HD3 )) 3.600 1.600 1.600 peak 254 spectrum 1 weight 0.10000E+01 volume 0.17119E-02 ppm1 0.256 ppm2 3.218 CV 1 OR { 254} ( segid " " and resid 37 and name HD1%) (( segid " " and resid 61 and name HD3 )) ASSI { 255} ( segid " " and resid 37 and name HD2%) (( segid " " and resid 61 and name HD2 )) 3.600 1.700 1.700 peak 255 spectrum 1 weight 0.10000E+01 volume 0.12261E-02 ppm1 0.256 ppm2 3.530 CV 1 OR { 255} ( segid " " and resid 37 and name HD1%) (( segid " " and resid 61 and name HD2 )) ASSI { 256} ( segid " " and resid 37 and name HD1%) (( segid " " and resid 37 and name HA )) 2.800 1.000 1.000 peak 256 spectrum 1 weight 0.10000E+01 volume 0.43561E-02 ppm1 0.256 ppm2 4.266 CV 1 ASSI { 258} ( segid " " and resid 37 and name HD1%) (( segid " " and resid 37 and name HN )) 3.600 1.600 1.600 peak 258 spectrum 1 weight 0.10000E+01 volume 0.90483E-03 ppm1 0.256 ppm2 7.115 CV 1 ASSI { 259} ( segid " " and resid 37 and name HD1%) (( segid " " and resid 41 and name HZ )) 3.600 1.600 1.600 peak 259 spectrum 1 weight 0.10000E+01 volume 0.66166E-03 ppm1 0.256 ppm2 7.235 CV 1 OR { 259} ( segid " " and resid 37 and name HD2%) (( segid " " and resid 41 and name HZ )) ASSI { 268} ( segid " " and resid 38 and name HG2%) (( segid " " and resid 38 and name HB )) 2.200 0.600 0.600 peak 268 spectrum 1 weight 0.10000E+01 volume 0.11725E-01 ppm1 1.238 ppm2 4.742 CV 1 ASSI { 269} ( segid " " and resid 38 and name HG2%) (( segid " " and resid 38 and name HA )) 2.500 0.800 0.800 peak 269 spectrum 1 weight 0.10000E+01 volume 0.81068E-02 ppm1 1.238 ppm2 4.831 CV 1 ASSI { 271} ( segid " " and resid 38 and name HG2%) ( segid " " and resid 41 and name HE% ) 3.600 1.600 1.600 peak 271 spectrum 1 weight 0.10000E+01 volume 0.13984E-02 ppm1 1.238 ppm2 7.352 CV 1 ASSI { 272} ( segid " " and resid 38 and name HG2%) ( segid " " and resid 41 and name HD% ) 4.200 2.200 1.800 peak 272 spectrum 1 weight 0.10000E+01 volume 0.10807E-02 ppm1 1.238 ppm2 7.505 CV 1 ASSI { 273} ( segid " " and resid 38 and name HG2%) (( segid " " and resid 39 and name HN )) 3.500 1.600 1.600 peak 273 spectrum 1 weight 0.10000E+01 volume 0.34894E-02 ppm1 1.238 ppm2 8.662 CV 1 ASSI { 274} ( segid " " and resid 38 and name HG2%) (( segid " " and resid 40 and name HN )) 3.600 1.600 1.600 peak 274 spectrum 1 weight 0.10000E+01 volume 0.13084E-02 ppm1 1.238 ppm2 8.347 CV 1 ASSI { 276} (( segid " " and resid 39 and name HB2 )) (( segid " " and resid 39 and name HA )) 2.500 0.800 0.800 peak 276 spectrum 1 weight 0.10000E+01 volume 0.69919E-02 ppm1 2.912 ppm2 4.634 CV 1 OR { 276} (( segid " " and resid 39 and name HB3 )) (( segid " " and resid 39 and name HA )) ASSI { 281} (( segid " " and resid 40 and name HB3 )) (( segid " " and resid 40 and name HA )) 2.600 0.900 0.900 peak 281 spectrum 1 weight 0.10000E+01 volume 0.27199E-02 ppm1 1.661 ppm2 4.222 CV 1 ASSI { 282} (( segid " " and resid 40 and name HB3 )) (( segid " " and resid 16 and name HB2 )) 2.600 0.900 0.900 peak 282 spectrum 1 weight 0.10000E+01 volume 0.12625E-02 ppm1 1.661 ppm2 1.093 CV 1 ASSI { 283} (( segid " " and resid 40 and name HB3 )) (( segid " " and resid 16 and name HB3 )) 3.500 1.500 1.500 peak 283 spectrum 1 weight 0.10000E+01 volume 0.91320E-03 ppm1 1.661 ppm2 0.338 CV 1 ASSI { 284} (( segid " " and resid 40 and name HB2 )) (( segid " " and resid 16 and name HB3 )) 3.300 1.400 1.400 peak 284 spectrum 1 weight 0.10000E+01 volume 0.10079E-02 ppm1 1.965 ppm2 0.354 CV 1 ASSI { 285} (( segid " " and resid 40 and name HB2 )) (( segid " " and resid 16 and name HB2 )) 3.500 1.500 1.500 peak 285 spectrum 1 weight 0.10000E+01 volume 0.15593E-02 ppm1 1.965 ppm2 1.078 CV 1 ASSI { 286} (( segid " " and resid 40 and name HB2 )) (( segid " " and resid 40 and name HA )) 2.900 1.000 1.000 peak 286 spectrum 1 weight 0.10000E+01 volume 0.47275E-02 ppm1 1.965 ppm2 4.219 CV 1 ASSI { 291} (( segid " " and resid 40 and name HG2 )) (( segid " " and resid 40 and name HA )) 2.700 0.900 0.900 peak 291 spectrum 1 weight 0.10000E+01 volume 0.35705E-02 ppm1 2.342 ppm2 4.225 CV 1 ASSI { 292} (( segid " " and resid 40 and name HG3 )) (( segid " " and resid 40 and name HA )) 3.000 1.200 1.200 peak 292 spectrum 1 weight 0.10000E+01 volume 0.40092E-02 ppm1 2.266 ppm2 4.222 CV 1 ASSI { 293} (( segid " " and resid 40 and name HG3 )) (( segid " " and resid 40 and name HN )) 2.500 0.800 0.800 peak 293 spectrum 1 weight 0.10000E+01 volume 0.30382E-02 ppm1 2.270 ppm2 8.360 CV 1 ASSI { 299} (( segid " " and resid 41 and name HB2 )) ( segid " " and resid 44 and name HD1%) 4.600 2.700 1.400 peak 299 spectrum 1 weight 0.10000E+01 volume 0.13007E-02 ppm1 3.280 ppm2 0.832 CV 1 ASSI { 300} (( segid " " and resid 41 and name HB3 )) (( segid " " and resid 44 and name HB3 )) 3.900 1.900 1.900 peak 300 spectrum 1 weight 0.10000E+01 volume 0.82857E-03 ppm1 2.967 ppm2 1.579 CV 1 ASSI { 302} (( segid " " and resid 41 and name HB3 )) ( segid " " and resid 44 and name HD1%) 4.400 2.400 1.600 peak 302 spectrum 1 weight 0.10000E+01 volume 0.10306E-02 ppm1 2.967 ppm2 0.832 CV 1 ASSI { 303} (( segid " " and resid 41 and name HB2 )) (( segid " " and resid 41 and name HA )) 3.300 1.400 1.400 peak 303 spectrum 1 weight 0.10000E+01 volume 0.12721E-02 ppm1 3.280 ppm2 4.338 CV 1 ASSI { 304} (( segid " " and resid 41 and name HB3 )) (( segid " " and resid 41 and name HA )) 2.900 1.000 1.000 peak 304 spectrum 1 weight 0.10000E+01 volume 0.11093E-02 ppm1 2.967 ppm2 4.338 CV 1 ASSI { 305} (( segid " " and resid 41 and name HB2 )) (( segid " " and resid 41 and name HN )) 2.500 0.800 0.800 peak 305 spectrum 1 weight 0.10000E+01 volume 0.25095E-02 ppm1 3.281 ppm2 7.523 CV 1 ASSI { 309} (( segid " " and resid 42 and name HB2 )) (( segid " " and resid 42 and name HA )) 3.000 1.100 1.100 peak 309 spectrum 1 weight 0.10000E+01 volume 0.35383E-02 ppm1 2.155 ppm2 4.209 CV 1 ASSI { 310} (( segid " " and resid 42 and name HB3 )) (( segid " " and resid 42 and name HA )) 2.600 0.900 0.900 peak 310 spectrum 1 weight 0.10000E+01 volume 0.35056E-02 ppm1 2.010 ppm2 4.209 CV 1 ASSI { 317} (( segid " " and resid 43 and name HB2 )) (( segid " " and resid 43 and name HA )) 3.300 1.300 1.300 peak 317 spectrum 1 weight 0.10000E+01 volume 0.18312E-02 ppm1 2.203 ppm2 4.560 CV 1 ASSI { 318} (( segid " " and resid 43 and name HB3 )) (( segid " " and resid 43 and name HA )) 2.700 0.900 0.900 peak 318 spectrum 1 weight 0.10000E+01 volume 0.26126E-02 ppm1 1.689 ppm2 4.560 CV 1 ASSI { 323} (( segid " " and resid 43 and name HG2 )) (( segid " " and resid 43 and name HA )) 3.200 1.300 1.300 peak 323 spectrum 1 weight 0.10000E+01 volume 0.16667E-02 ppm1 2.574 ppm2 4.557 CV 1 ASSI { 324} (( segid " " and resid 43 and name HG3 )) (( segid " " and resid 43 and name HA )) 3.300 1.400 1.400 peak 324 spectrum 1 weight 0.10000E+01 volume 0.22812E-02 ppm1 2.100 ppm2 4.559 CV 1 ASSI { 325} (( segid " " and resid 43 and name HG2 )) (( segid " " and resid 43 and name HN )) 3.400 1.400 1.400 peak 325 spectrum 1 weight 0.10000E+01 volume 0.10467E-02 ppm1 2.573 ppm2 8.486 CV 1 ASSI { 331} (( segid " " and resid 44 and name HB2 )) (( segid " " and resid 44 and name HA )) 2.800 1.000 1.000 peak 331 spectrum 1 weight 0.10000E+01 volume 0.10527E-02 ppm1 1.949 ppm2 4.113 CV 1 ASSI { 332} (( segid " " and resid 44 and name HB3 )) (( segid " " and resid 44 and name HA )) 3.200 1.300 1.300 peak 332 spectrum 1 weight 0.10000E+01 volume 0.13275E-02 ppm1 1.577 ppm2 4.105 CV 1 ASSI { 334} ( segid " " and resid 44 and name HD1%) (( segid " " and resid 44 and name HA )) 3.100 1.200 1.200 peak 334 spectrum 1 weight 0.10000E+01 volume 0.16905E-02 ppm1 0.848 ppm2 4.117 CV 1 ASSI { 337} ( segid " " and resid 44 and name HD2%) (( segid " " and resid 44 and name HA )) 2.300 0.700 0.700 peak 337 spectrum 1 weight 0.10000E+01 volume 0.81363E-02 ppm1 0.784 ppm2 4.115 CV 1 ASSI { 338} ( segid " " and resid 44 and name HD2%) (( segid " " and resid 45 and name HN )) 3.000 1.200 1.200 peak 338 spectrum 1 weight 0.10000E+01 volume 0.37219E-02 ppm1 0.788 ppm2 9.240 CV 1 ASSI { 340} (( segid " " and resid 45 and name HB3 )) (( segid " " and resid 45 and name HA )) 2.700 0.900 0.900 peak 340 spectrum 1 weight 0.10000E+01 volume 0.34894E-02 ppm1 2.200 ppm2 5.126 CV 1 OR { 340} (( segid " " and resid 45 and name HB2 )) (( segid " " and resid 45 and name HA )) ASSI { 341} (( segid " " and resid 45 and name HB2 )) (( segid " " and resid 45 and name HN )) 2.800 0.900 0.900 peak 341 spectrum 1 weight 0.10000E+01 volume 0.27736E-02 ppm1 2.200 ppm2 9.228 CV 1 OR { 341} (( segid " " and resid 45 and name HB3 )) (( segid " " and resid 45 and name HN )) ASSI { 347} (( segid " " and resid 45 and name HG2 )) (( segid " " and resid 45 and name HA )) 3.100 1.200 1.200 peak 347 spectrum 1 weight 0.10000E+01 volume 0.17203E-02 ppm1 2.640 ppm2 5.119 CV 1 ASSI { 348} (( segid " " and resid 45 and name HG3 )) (( segid " " and resid 45 and name HA )) 3.300 1.300 1.300 peak 348 spectrum 1 weight 0.10000E+01 volume 0.18502E-02 ppm1 2.370 ppm2 5.131 CV 1 ASSI { 349} (( segid " " and resid 45 and name HG2 )) (( segid " " and resid 45 and name HN )) 3.800 1.800 1.800 peak 349 spectrum 1 weight 0.10000E+01 volume 0.14729E-02 ppm1 2.640 ppm2 9.232 CV 1 ASSI { 350} (( segid " " and resid 45 and name HG3 )) (( segid " " and resid 45 and name HN )) 3.200 1.300 1.300 peak 350 spectrum 1 weight 0.10000E+01 volume 0.11594E-02 ppm1 2.370 ppm2 9.237 CV 1 ASSI { 360} (( segid " " and resid 46 and name HA )) (( segid " " and resid 46 and name HB2 )) 2.600 0.800 0.800 peak 360 spectrum 1 weight 0.10000E+01 volume 0.24749E-02 ppm1 5.818 ppm2 3.270 CV 1 ASSI { 361} (( segid " " and resid 46 and name HA )) (( segid " " and resid 46 and name HB3 )) 3.200 1.300 1.300 peak 361 spectrum 1 weight 0.10000E+01 volume 0.19182E-02 ppm1 5.818 ppm2 2.880 CV 1 ASSI { 362} (( segid " " and resid 46 and name HA )) (( segid " " and resid 68 and name HB2 )) 3.000 1.100 1.100 peak 362 spectrum 1 weight 0.10000E+01 volume 0.10550E-02 ppm1 5.818 ppm2 1.880 CV 1 ASSI { 370} (( segid " " and resid 47 and name HB2 )) (( segid " " and resid 47 and name HB3 )) 1.900 0.500 0.500 peak 370 spectrum 1 weight 0.10000E+01 volume 0.38739E-02 ppm1 1.804 ppm2 1.114 CV 1 ASSI { 372} (( segid " " and resid 47 and name HB2 )) ( segid " " and resid 47 and name HD2%) 3.300 1.400 1.400 peak 372 spectrum 1 weight 0.10000E+01 volume 0.28999E-02 ppm1 1.804 ppm2 0.731 CV 1 ASSI { 375} (( segid " " and resid 47 and name HB3 )) ( segid " " and resid 47 and name HD2%) 2.600 0.800 0.800 peak 375 spectrum 1 weight 0.10000E+01 volume 0.33142E-02 ppm1 1.112 ppm2 0.736 CV 1 ASSI { 376} (( segid " " and resid 47 and name HB3 )) ( segid " " and resid 47 and name HD1%) 3.000 1.100 1.100 peak 376 spectrum 1 weight 0.10000E+01 volume 0.24099E-02 ppm1 1.112 ppm2 0.522 CV 1 ASSI { 378} (( segid " " and resid 47 and name HB2 )) (( segid " " and resid 47 and name HA )) 3.000 1.100 1.100 peak 378 spectrum 1 weight 0.10000E+01 volume 0.94121E-03 ppm1 1.804 ppm2 4.972 CV 1 ASSI { 379} (( segid " " and resid 47 and name HB3 )) (( segid " " and resid 47 and name HA )) 3.400 1.400 1.400 peak 379 spectrum 1 weight 0.10000E+01 volume 0.10688E-02 ppm1 1.112 ppm2 4.972 CV 1 ASSI { 383} ( segid " " and resid 47 and name HD1%) (( segid " " and resid 47 and name HA )) 3.800 1.800 1.800 peak 383 spectrum 1 weight 0.10000E+01 volume 0.17554E-02 ppm1 0.517 ppm2 4.978 CV 1 ASSI { 384} ( segid " " and resid 47 and name HD1%) (( segid " " and resid 47 and name HN )) 4.400 2.400 1.600 peak 384 spectrum 1 weight 0.10000E+01 volume 0.10199E-02 ppm1 0.517 ppm2 7.944 CV 1 ASSI { 388} (( segid " " and resid 48 and name HB2 )) (( segid " " and resid 48 and name HA )) 3.500 1.500 1.500 peak 388 spectrum 1 weight 0.10000E+01 volume 0.80231E-03 ppm1 3.775 ppm2 5.165 CV 1 ASSI { 389} (( segid " " and resid 48 and name HB3 )) (( segid " " and resid 48 and name HA )) 2.900 1.100 1.100 peak 389 spectrum 1 weight 0.10000E+01 volume 0.10890E-02 ppm1 3.311 ppm2 5.163 CV 1 ASSI { 397} (( segid " " and resid 50 and name HB )) ( segid " " and resid 50 and name HG2%) 2.600 0.800 0.800 peak 397 spectrum 1 weight 0.10000E+01 volume 0.49576E-02 ppm1 1.312 ppm2 0.736 CV 1 OR { 397} (( segid " " and resid 50 and name HB )) ( segid " " and resid 50 and name HD1%) ASSI { 399} (( segid " " and resid 50 and name HB )) (( segid " " and resid 50 and name HG12)) 3.100 1.200 1.200 peak 399 spectrum 1 weight 0.10000E+01 volume 0.10062E-02 ppm1 1.312 ppm2 1.624 CV 1 OR { 399} (( segid " " and resid 50 and name HB )) (( segid " " and resid 50 and name HG13)) ASSI { 400} (( segid " " and resid 50 and name HB )) (( segid " " and resid 25 and name HB3 )) 3.600 1.600 1.600 peak 400 spectrum 1 weight 0.10000E+01 volume 0.77670E-03 ppm1 1.312 ppm2 2.415 CV 1 ASSI { 402} (( segid " " and resid 50 and name HB )) (( segid " " and resid 50 and name HA )) 3.400 1.400 1.400 peak 402 spectrum 1 weight 0.10000E+01 volume 0.98710E-03 ppm1 1.312 ppm2 4.267 CV 1 ASSI { 405} ( segid " " and resid 50 and name HG2%) (( segid " " and resid 50 and name HA )) 2.500 0.800 0.800 peak 405 spectrum 1 weight 0.10000E+01 volume 0.55168E-02 ppm1 0.718 ppm2 4.264 CV 1 ASSI { 406} ( segid " " and resid 50 and name HG2%) (( segid " " and resid 50 and name HN )) 3.900 1.900 1.900 peak 406 spectrum 1 weight 0.10000E+01 volume 0.29500E-02 ppm1 0.718 ppm2 8.263 CV 1 ASSI { 408} ( segid " " and resid 50 and name HD1%) (( segid " " and resid 50 and name HN )) 3.300 1.400 1.400 peak 408 spectrum 1 weight 0.10000E+01 volume 0.26627E-02 ppm1 0.770 ppm2 8.278 CV 1 ASSI { 413} (( segid " " and resid 51 and name HB2 )) (( segid " " and resid 51 and name HB3 )) 1.900 0.400 0.400 peak 413 spectrum 1 weight 0.10000E+01 volume 0.77250E-02 ppm1 3.574 ppm2 2.366 CV 1 ASSI { 415} (( segid " " and resid 51 and name HB3 )) (( segid " " and resid 51 and name HA )) 3.200 1.300 1.300 peak 415 spectrum 1 weight 0.10000E+01 volume 0.23831E-02 ppm1 2.360 ppm2 4.882 CV 1 ASSI { 418} (( segid " " and resid 51 and name HB2 )) (( segid " " and resid 51 and name HA )) 2.800 1.000 1.000 peak 418 spectrum 1 weight 0.10000E+01 volume 0.17990E-02 ppm1 3.574 ppm2 4.884 CV 1 ASSI { 422} (( segid " " and resid 54 and name HB2 )) (( segid " " and resid 54 and name HA )) 3.200 1.300 1.300 peak 422 spectrum 1 weight 0.10000E+01 volume 0.14789E-02 ppm1 1.325 ppm2 4.079 CV 1 ASSI { 424} (( segid " " and resid 54 and name HB3 )) (( segid " " and resid 54 and name HA )) 2.900 1.100 1.100 peak 424 spectrum 1 weight 0.10000E+01 volume 0.11361E-02 ppm1 1.303 ppm2 4.080 CV 1 ASSI { 425} (( segid " " and resid 54 and name HB2 )) (( segid " " and resid 54 and name HN )) 2.700 0.900 0.900 peak 425 spectrum 1 weight 0.10000E+01 volume 0.16648E-02 ppm1 1.323 ppm2 8.573 CV 1 ASSI { 426} (( segid " " and resid 54 and name HB3 )) (( segid " " and resid 54 and name HN )) 3.800 1.800 1.800 peak 426 spectrum 1 weight 0.10000E+01 volume 0.15653E-02 ppm1 1.304 ppm2 8.573 CV 1 ASSI { 428} (( segid " " and resid 54 and name HA )) (( segid " " and resid 54 and name HB2 )) 3.000 1.100 1.100 peak 428 spectrum 1 weight 0.10000E+01 volume 0.14407E-02 ppm1 4.078 ppm2 1.325 CV 1 OR { 428} (( segid " " and resid 54 and name HA )) (( segid " " and resid 54 and name HB3 )) ASSI { 433} ( segid " " and resid 55 and name HG2%) (( segid " " and resid 55 and name HA )) 2.700 0.900 0.900 peak 433 spectrum 1 weight 0.10000E+01 volume 0.11170E-01 ppm1 1.177 ppm2 4.331 CV 1 ASSI { 434} ( segid " " and resid 55 and name HG2%) (( segid " " and resid 55 and name HN )) 2.600 0.900 0.900 peak 434 spectrum 1 weight 0.10000E+01 volume 0.31068E-02 ppm1 1.177 ppm2 10.121 CV 1 ASSI { 435} ( segid " " and resid 55 and name HG2%) (( segid " " and resid 56 and name HN )) 3.400 1.400 1.400 peak 435 spectrum 1 weight 0.10000E+01 volume 0.14502E-02 ppm1 1.177 ppm2 7.679 CV 1 ASSI { 437} ( segid " " and resid 55 and name HG2%) (( segid " " and resid 55 and name HB )) 2.100 0.600 0.600 peak 437 spectrum 1 weight 0.10000E+01 volume 0.15021E-01 ppm1 1.177 ppm2 4.403 CV 1 ASSI { 440} (( segid " " and resid 56 and name HB2 )) (( segid " " and resid 56 and name HA )) 3.100 1.200 1.200 peak 440 spectrum 1 weight 0.10000E+01 volume 0.22025E-02 ppm1 4.033 ppm2 4.877 CV 1 ASSI { 441} (( segid " " and resid 56 and name HB3 )) (( segid " " and resid 56 and name HA )) 2.900 1.100 1.100 peak 441 spectrum 1 weight 0.10000E+01 volume 0.17745E-02 ppm1 3.406 ppm2 4.877 CV 1 ASSI { 443} (( segid " " and resid 57 and name HB )) (( segid " " and resid 60 and name HG )) 2.900 1.000 1.000 peak 443 spectrum 1 weight 0.10000E+01 volume 0.13889E-02 ppm1 2.310 ppm2 1.971 CV 1 ASSI { 444} (( segid " " and resid 57 and name HB )) (( segid " " and resid 60 and name HB3 )) 3.700 1.700 1.700 peak 444 spectrum 1 weight 0.10000E+01 volume 0.14729E-02 ppm1 2.310 ppm2 1.541 CV 1 OR { 444} (( segid " " and resid 57 and name HB )) (( segid " " and resid 60 and name HB2 )) ASSI { 445} (( segid " " and resid 57 and name HB )) (( segid " " and resid 57 and name HG12)) 3.000 1.100 1.100 peak 445 spectrum 1 weight 0.10000E+01 volume 0.28695E-02 ppm1 2.310 ppm2 1.324 CV 1 ASSI { 446} (( segid " " and resid 57 and name HB )) (( segid " " and resid 57 and name HG13)) 2.600 0.800 0.800 peak 446 spectrum 1 weight 0.10000E+01 volume 0.23676E-02 ppm1 2.310 ppm2 1.056 CV 1 ASSI { 449} (( segid " " and resid 57 and name HB )) (( segid " " and resid 57 and name HA )) 2.500 0.800 0.800 peak 449 spectrum 1 weight 0.10000E+01 volume 0.34787E-02 ppm1 2.310 ppm2 4.748 CV 1 ASSI { 450} (( segid " " and resid 57 and name HB )) (( segid " " and resid 57 and name HN )) 4.200 2.200 1.800 peak 450 spectrum 1 weight 0.10000E+01 volume 0.75285E-03 ppm1 2.310 ppm2 8.840 CV 1 ASSI { 458} (( segid " " and resid 58 and name HB3 )) (( segid " " and resid 58 and name HA )) 2.700 0.900 0.900 peak 458 spectrum 1 weight 0.10000E+01 volume 0.52562E-02 ppm1 3.857 ppm2 4.056 CV 1 ASSI { 459} (( segid " " and resid 58 and name HB2 )) (( segid " " and resid 58 and name HA )) 2.500 0.800 0.800 peak 459 spectrum 1 weight 0.10000E+01 volume 0.65865E-02 ppm1 3.951 ppm2 4.056 CV 1 ASSI { 465} (( segid " " and resid 59 and name HB3 )) (( segid " " and resid 59 and name HD21)) 3.200 1.300 1.300 peak 465 spectrum 1 weight 0.10000E+01 volume 0.17501E-02 ppm1 2.682 ppm2 7.729 CV 1 ASSI { 469} (( segid " " and resid 60 and name HB2 )) (( segid " " and resid 60 and name HA )) 2.500 0.800 0.800 peak 469 spectrum 1 weight 0.10000E+01 volume 0.37929E-02 ppm1 1.541 ppm2 3.987 CV 1 OR { 469} (( segid " " and resid 60 and name HB3 )) (( segid " " and resid 60 and name HA )) ASSI { 473} (( segid " " and resid 62 and name HB3 )) (( segid " " and resid 62 and name HA )) 3.000 1.100 1.100 peak 473 spectrum 1 weight 0.10000E+01 volume 0.29196E-02 ppm1 1.685 ppm2 4.218 CV 1 ASSI { 474} (( segid " " and resid 62 and name HB2 )) (( segid " " and resid 62 and name HA )) 2.400 0.700 0.700 peak 474 spectrum 1 weight 0.10000E+01 volume 0.32260E-02 ppm1 1.888 ppm2 4.221 CV 1 ASSI { 475} (( segid " " and resid 62 and name HB2 )) (( segid " " and resid 62 and name HN )) 2.500 0.800 0.800 peak 475 spectrum 1 weight 0.10000E+01 volume 0.52026E-02 ppm1 1.887 ppm2 7.923 CV 1 ASSI { 479} (( segid " " and resid 62 and name HG2 )) (( segid " " and resid 62 and name HA )) 3.200 1.300 1.300 peak 479 spectrum 1 weight 0.10000E+01 volume 0.17769E-02 ppm1 1.531 ppm2 4.211 CV 1 ASSI { 480} (( segid " " and resid 62 and name HG3 )) (( segid " " and resid 62 and name HA )) 2.600 0.900 0.900 peak 480 spectrum 1 weight 0.10000E+01 volume 0.21697E-02 ppm1 1.476 ppm2 4.218 CV 1 ASSI { 481} (( segid " " and resid 62 and name HG2 )) (( segid " " and resid 62 and name HN )) 4.200 2.200 1.800 peak 481 spectrum 1 weight 0.10000E+01 volume 0.13639E-02 ppm1 1.531 ppm2 7.927 CV 1 ASSI { 482} (( segid " " and resid 62 and name HG3 )) (( segid " " and resid 62 and name HN )) 4.300 2.300 1.700 peak 482 spectrum 1 weight 0.10000E+01 volume 0.13352E-02 ppm1 1.476 ppm2 7.927 CV 1 ASSI { 487} (( segid " " and resid 61 and name HB3 )) (( segid " " and resid 38 and name HA )) 2.700 0.900 0.900 peak 487 spectrum 1 weight 0.10000E+01 volume 0.11802E-02 ppm1 1.847 ppm2 4.834 CV 1 ASSI { 488} (( segid " " and resid 61 and name HB2 )) (( segid " " and resid 38 and name HA )) 3.900 1.900 1.900 peak 488 spectrum 1 weight 0.10000E+01 volume 0.14747E-02 ppm1 2.064 ppm2 4.834 CV 1 ASSI { 489} (( segid " " and resid 61 and name HB3 )) (( segid " " and resid 62 and name HN )) 3.300 1.300 1.300 peak 489 spectrum 1 weight 0.10000E+01 volume 0.32796E-02 ppm1 1.847 ppm2 7.923 CV 1 ASSI { 491} (( segid " " and resid 57 and name HG12)) (( segid " " and resid 57 and name HN )) 2.500 0.800 0.800 peak 491 spectrum 1 weight 0.10000E+01 volume 0.20940E-02 ppm1 1.326 ppm2 8.830 CV 1 ASSI { 492} (( segid " " and resid 57 and name HG13)) (( segid " " and resid 57 and name HN )) 3.300 1.300 1.300 peak 492 spectrum 1 weight 0.10000E+01 volume 0.25053E-02 ppm1 1.057 ppm2 8.834 CV 1 ASSI { 495} (( segid " " and resid 63 and name HB3 )) (( segid " " and resid 63 and name HA )) 2.800 1.000 1.000 peak 495 spectrum 1 weight 0.10000E+01 volume 0.10932E-02 ppm1 1.594 ppm2 4.710 CV 1 ASSI { 496} (( segid " " and resid 63 and name HB2 )) (( segid " " and resid 63 and name HA )) 3.400 1.500 1.500 peak 496 spectrum 1 weight 0.10000E+01 volume 0.86850E-03 ppm1 1.769 ppm2 4.710 CV 1 ASSI { 498} (( segid " " and resid 63 and name HB3 )) (( segid " " and resid 63 and name HN )) 4.100 2.100 1.900 peak 498 spectrum 1 weight 0.10000E+01 volume 0.77490E-03 ppm1 1.594 ppm2 8.574 CV 1 ASSI { 501} (( segid " " and resid 64 and name HB3 )) (( segid " " and resid 64 and name HN )) 2.200 0.600 0.600 peak 501 spectrum 1 weight 0.10000E+01 volume 0.13698E-01 ppm1 2.777 ppm2 8.938 CV 1 OR { 501} (( segid " " and resid 64 and name HB2 )) (( segid " " and resid 64 and name HN )) ASSI { 503} (( segid " " and resid 64 and name HA )) (( segid " " and resid 64 and name HB3 )) 2.300 0.600 0.600 peak 503 spectrum 1 weight 0.10000E+01 volume 0.11570E-01 ppm1 4.325 ppm2 2.780 CV 1 OR { 503} (( segid " " and resid 64 and name HA )) (( segid " " and resid 64 and name HB2 )) ASSI { 506} (( segid " " and resid 65 and name HB3 )) (( segid " " and resid 65 and name HA )) 2.700 0.900 0.900 peak 506 spectrum 1 weight 0.10000E+01 volume 0.23408E-02 ppm1 1.566 ppm2 4.412 CV 1 ASSI { 507} (( segid " " and resid 65 and name HB2 )) (( segid " " and resid 65 and name HA )) 3.000 1.100 1.100 peak 507 spectrum 1 weight 0.10000E+01 volume 0.33064E-02 ppm1 1.829 ppm2 4.416 CV 1 ASSI { 513} (( segid " " and resid 65 and name HG2 )) (( segid " " and resid 65 and name HA )) 2.700 0.900 0.900 peak 513 spectrum 1 weight 0.10000E+01 volume 0.25512E-02 ppm1 1.624 ppm2 4.417 CV 1 ASSI { 514} (( segid " " and resid 65 and name HG3 )) (( segid " " and resid 65 and name HA )) 3.000 1.100 1.100 peak 514 spectrum 1 weight 0.10000E+01 volume 0.43019E-02 ppm1 1.300 ppm2 4.417 CV 1 ASSI { 515} (( segid " " and resid 65 and name HG2 )) (( segid " " and resid 65 and name HD3 )) 2.800 1.000 1.000 peak 515 spectrum 1 weight 0.10000E+01 volume 0.29309E-02 ppm1 1.624 ppm2 2.983 CV 1 OR { 515} (( segid " " and resid 65 and name HG2 )) (( segid " " and resid 65 and name HD2 )) ASSI { 516} (( segid " " and resid 65 and name HG3 )) (( segid " " and resid 65 and name HD2 )) 2.500 0.800 0.800 peak 516 spectrum 1 weight 0.10000E+01 volume 0.40474E-02 ppm1 1.300 ppm2 2.983 CV 1 OR { 516} (( segid " " and resid 65 and name HG3 )) (( segid " " and resid 65 and name HD3 )) ASSI { 517} (( segid " " and resid 65 and name HG2 )) (( segid " " and resid 43 and name HA )) 4.300 2.400 1.700 peak 517 spectrum 1 weight 0.10000E+01 volume 0.11081E-02 ppm1 1.624 ppm2 4.557 CV 1 ASSI { 518} (( segid " " and resid 65 and name HG3 )) (( segid " " and resid 43 and name HA )) 4.300 2.300 1.700 peak 518 spectrum 1 weight 0.10000E+01 volume 0.64437E-03 ppm1 1.300 ppm2 4.557 CV 1 ASSI { 520} (( segid " " and resid 66 and name HA )) (( segid " " and resid 45 and name HA )) 2.500 0.800 0.800 peak 520 spectrum 1 weight 0.10000E+01 volume 0.37493E-02 ppm1 4.150 ppm2 5.120 CV 1 ASSI { 523} ( segid " " and resid 66 and name HD2%) (( segid " " and resid 67 and name HN )) 2.300 0.700 0.700 peak 523 spectrum 1 weight 0.10000E+01 volume 0.38411E-02 ppm1 0.764 ppm2 9.157 CV 1 ASSI { 524} ( segid " " and resid 66 and name HD2%) (( segid " " and resid 66 and name HA )) 2.200 0.600 0.600 peak 524 spectrum 1 weight 0.10000E+01 volume 0.87802E-02 ppm1 0.764 ppm2 4.149 CV 1 ASSI { 527} (( segid " " and resid 66 and name HG )) (( segid " " and resid 66 and name HN )) 4.200 2.200 1.800 peak 527 spectrum 1 weight 0.10000E+01 volume 0.84645E-03 ppm1 1.375 ppm2 6.945 CV 1 ASSI { 528} (( segid " " and resid 66 and name HG )) (( segid " " and resid 67 and name HN )) 4.300 2.300 1.700 peak 528 spectrum 1 weight 0.10000E+01 volume 0.86850E-03 ppm1 1.375 ppm2 9.161 CV 1 ASSI { 532} (( segid " " and resid 67 and name HB3 )) (( segid " " and resid 68 and name HN )) 2.900 1.000 1.000 peak 532 spectrum 1 weight 0.10000E+01 volume 0.24445E-02 ppm1 1.985 ppm2 8.163 CV 1 OR { 532} (( segid " " and resid 67 and name HB2 )) (( segid " " and resid 68 and name HN )) ASSI { 535} (( segid " " and resid 68 and name HB3 )) (( segid " " and resid 68 and name HG2 )) 2.600 0.800 0.800 peak 535 spectrum 1 weight 0.10000E+01 volume 0.30609E-02 ppm1 1.749 ppm2 1.345 CV 1 OR { 535} (( segid " " and resid 68 and name HB3 )) (( segid " " and resid 68 and name HD2 )) ASSI { 536} (( segid " " and resid 68 and name HB3 )) (( segid " " and resid 68 and name HG3 )) 3.200 1.300 1.300 peak 536 spectrum 1 weight 0.10000E+01 volume 0.17418E-02 ppm1 1.749 ppm2 1.175 CV 1 OR { 536} (( segid " " and resid 68 and name HB3 )) (( segid " " and resid 68 and name HD3 )) ASSI { 538} (( segid " " and resid 68 and name HB2 )) ( segid " " and resid 46 and name HD% ) 2.900 1.100 1.100 peak 538 spectrum 1 weight 0.10000E+01 volume 0.13137E-02 ppm1 1.891 ppm2 7.185 CV 1 OR { 538} (( segid " " and resid 68 and name HB2 )) ( segid " " and resid 46 and name HE% ) ASSI { 540} (( segid " " and resid 68 and name HB3 )) ( segid " " and resid 46 and name HD% ) 3.600 1.600 1.600 peak 540 spectrum 1 weight 0.10000E+01 volume 0.11421E-02 ppm1 1.750 ppm2 7.185 CV 1 OR { 540} (( segid " " and resid 68 and name HB3 )) ( segid " " and resid 46 and name HE% ) ASSI { 543} (( segid " " and resid 68 and name HB2 )) (( segid " " and resid 68 and name HG2 )) 3.100 1.200 1.200 peak 543 spectrum 1 weight 0.10000E+01 volume 0.21620E-02 ppm1 1.891 ppm2 1.345 CV 1 OR { 543} (( segid " " and resid 68 and name HB2 )) (( segid " " and resid 68 and name HD2 )) ASSI { 544} (( segid " " and resid 68 and name HB2 )) (( segid " " and resid 68 and name HG3 )) 2.900 1.000 1.000 peak 544 spectrum 1 weight 0.10000E+01 volume 0.14580E-02 ppm1 1.891 ppm2 1.176 CV 1 OR { 544} (( segid " " and resid 68 and name HB2 )) (( segid " " and resid 68 and name HD3 )) ASSI { 546} (( segid " " and resid 68 and name HB3 )) (( segid " " and resid 46 and name HA )) 4.400 2.400 1.600 peak 546 spectrum 1 weight 0.10000E+01 volume 0.64613E-03 ppm1 1.749 ppm2 5.812 CV 1 ASSI { 549} (( segid " " and resid 68 and name HD2 )) (( segid " " and resid 68 and name HE3 )) 2.900 1.100 1.100 peak 549 spectrum 1 weight 0.10000E+01 volume 0.17418E-02 ppm1 1.349 ppm2 2.326 CV 1 ASSI { 550} (( segid " " and resid 68 and name HD2 )) (( segid " " and resid 68 and name HE2 )) 3.300 1.300 1.300 peak 550 spectrum 1 weight 0.10000E+01 volume 0.14729E-02 ppm1 1.349 ppm2 2.523 CV 1 ASSI { 553} (( segid " " and resid 68 and name HD2 )) (( segid " " and resid 68 and name HA )) 4.500 2.500 1.500 peak 553 spectrum 1 weight 0.10000E+01 volume 0.81899E-03 ppm1 1.349 ppm2 5.472 CV 1 ASSI { 555} (( segid " " and resid 68 and name HD2 )) ( segid " " and resid 46 and name HD% ) 3.500 1.500 1.500 peak 555 spectrum 1 weight 0.10000E+01 volume 0.99662E-03 ppm1 1.349 ppm2 7.181 CV 1 OR { 555} (( segid " " and resid 68 and name HD2 )) ( segid " " and resid 46 and name HE% ) ASSI { 556} (( segid " " and resid 68 and name HD3 )) ( segid " " and resid 46 and name HD% ) 3.300 1.300 1.300 peak 556 spectrum 1 weight 0.10000E+01 volume 0.12065E-02 ppm1 1.141 ppm2 7.181 CV 1 OR { 556} (( segid " " and resid 68 and name HD3 )) ( segid " " and resid 46 and name HE% ) ASSI { 558} (( segid " " and resid 68 and name HD3 )) (( segid " " and resid 92 and name HB3 )) 4.400 2.400 1.600 peak 558 spectrum 1 weight 0.10000E+01 volume 0.82436E-03 ppm1 1.141 ppm2 3.008 CV 1 ASSI { 559} (( segid " " and resid 68 and name HD2 )) (( segid " " and resid 92 and name HB3 )) 4.200 2.200 1.800 peak 559 spectrum 1 weight 0.10000E+01 volume 0.97282E-03 ppm1 1.349 ppm2 3.008 CV 1 ASSI { 562} (( segid " " and resid 68 and name HG2 )) (( segid " " and resid 68 and name HE3 )) 3.600 1.600 1.600 peak 562 spectrum 1 weight 0.10000E+01 volume 0.81960E-03 ppm1 1.341 ppm2 2.329 CV 1 ASSI { 563} (( segid " " and resid 68 and name HG2 )) (( segid " " and resid 68 and name HE2 )) 3.700 1.700 1.700 peak 563 spectrum 1 weight 0.10000E+01 volume 0.76117E-03 ppm1 1.341 ppm2 2.515 CV 1 ASSI { 564} (( segid " " and resid 68 and name HG3 )) (( segid " " and resid 68 and name HE3 )) 3.600 1.600 1.600 peak 564 spectrum 1 weight 0.10000E+01 volume 0.93584E-03 ppm1 1.207 ppm2 2.333 CV 1 ASSI { 565} (( segid " " and resid 68 and name HG3 )) (( segid " " and resid 68 and name HE2 )) 3.600 1.600 1.600 peak 565 spectrum 1 weight 0.10000E+01 volume 0.89295E-03 ppm1 1.207 ppm2 2.519 CV 1 ASSI { 566} (( segid " " and resid 68 and name HG3 )) (( segid " " and resid 92 and name HB3 )) 3.900 1.900 1.900 peak 566 spectrum 1 weight 0.10000E+01 volume 0.72124E-03 ppm1 1.207 ppm2 3.009 CV 1 ASSI { 567} (( segid " " and resid 68 and name HG2 )) (( segid " " and resid 92 and name HB3 )) 2.800 1.000 1.000 peak 567 spectrum 1 weight 0.10000E+01 volume 0.10079E-02 ppm1 1.341 ppm2 3.009 CV 1 ASSI { 569} (( segid " " and resid 68 and name HG2 )) (( segid " " and resid 68 and name HA )) 3.000 1.200 1.200 peak 569 spectrum 1 weight 0.10000E+01 volume 0.10634E-02 ppm1 1.342 ppm2 5.469 CV 1 ASSI { 570} (( segid " " and resid 68 and name HG3 )) (( segid " " and resid 68 and name HA )) 3.500 1.500 1.500 peak 570 spectrum 1 weight 0.10000E+01 volume 0.78442E-03 ppm1 1.207 ppm2 5.469 CV 1 ASSI { 571} (( segid " " and resid 68 and name HG3 )) ( segid " " and resid 46 and name HD% ) 4.000 2.000 2.000 peak 571 spectrum 1 weight 0.10000E+01 volume 0.11773E-02 ppm1 1.207 ppm2 7.196 CV 1 OR { 571} (( segid " " and resid 68 and name HG3 )) ( segid " " and resid 46 and name HE% ) ASSI { 572} (( segid " " and resid 68 and name HG2 )) ( segid " " and resid 46 and name HD% ) 4.700 2.700 1.300 peak 572 spectrum 1 weight 0.10000E+01 volume 0.58585E-03 ppm1 1.341 ppm2 7.196 CV 1 OR { 572} (( segid " " and resid 68 and name HG2 )) ( segid " " and resid 46 and name HE% ) ASSI { 576} (( segid " " and resid 69 and name HB3 )) (( segid " " and resid 69 and name HA )) 3.300 1.400 1.400 peak 576 spectrum 1 weight 0.10000E+01 volume 0.10229E-02 ppm1 1.351 ppm2 5.406 CV 1 ASSI { 580} ( segid " " and resid 69 and name HD2%) (( segid " " and resid 69 and name HA )) 2.200 0.600 0.600 peak 580 spectrum 1 weight 0.10000E+01 volume 0.10515E-01 ppm1 0.868 ppm2 5.410 CV 1 ASSI { 581} ( segid " " and resid 69 and name HD2%) (( segid " " and resid 69 and name HN )) 4.100 2.100 1.900 peak 581 spectrum 1 weight 0.10000E+01 volume 0.12166E-02 ppm1 0.868 ppm2 8.305 CV 1 ASSI { 582} ( segid " " and resid 69 and name HD2%) (( segid " " and resid 70 and name HN )) 3.000 1.100 1.100 peak 582 spectrum 1 weight 0.10000E+01 volume 0.47967E-02 ppm1 0.868 ppm2 8.932 CV 1 ASSI { 588} (( segid " " and resid 70 and name HB2 )) (( segid " " and resid 70 and name HA )) 3.200 1.300 1.300 peak 588 spectrum 1 weight 0.10000E+01 volume 0.14557E-02 ppm1 2.503 ppm2 4.768 CV 1 ASSI { 589} (( segid " " and resid 70 and name HB2 )) (( segid " " and resid 48 and name HA )) 2.400 0.700 0.700 peak 589 spectrum 1 weight 0.10000E+01 volume 0.26091E-02 ppm1 2.503 ppm2 5.173 CV 1 ASSI { 590} (( segid " " and resid 70 and name HB3 )) (( segid " " and resid 70 and name HA )) 2.600 0.800 0.800 peak 590 spectrum 1 weight 0.10000E+01 volume 0.25786E-02 ppm1 2.133 ppm2 4.761 CV 1 ASSI { 591} (( segid " " and resid 70 and name HB3 )) (( segid " " and resid 48 and name HA )) 3.600 1.600 1.600 peak 591 spectrum 1 weight 0.10000E+01 volume 0.31682E-02 ppm1 2.133 ppm2 5.173 CV 1 ASSI { 592} (( segid " " and resid 70 and name HB3 )) (( segid " " and resid 69 and name HA )) 5.200 3.300 0.800 peak 592 spectrum 1 weight 0.10000E+01 volume 0.75105E-03 ppm1 2.133 ppm2 5.414 CV 1 ASSI { 595} (( segid " " and resid 70 and name HB3 )) (( segid " " and resid 70 and name HN )) 3.400 1.500 1.500 peak 595 spectrum 1 weight 0.10000E+01 volume 0.25173E-02 ppm1 2.134 ppm2 8.934 CV 1 ASSI { 596} (( segid " " and resid 70 and name HB3 )) (( segid " " and resid 49 and name HN )) 3.700 1.700 1.700 peak 596 spectrum 1 weight 0.10000E+01 volume 0.12410E-02 ppm1 2.133 ppm2 9.082 CV 1 ASSI { 601} (( segid " " and resid 71 and name HB2 )) (( segid " " and resid 71 and name HA )) 3.300 1.300 1.300 peak 601 spectrum 1 weight 0.10000E+01 volume 0.15420E-02 ppm1 1.849 ppm2 4.466 CV 1 ASSI { 602} (( segid " " and resid 71 and name HB3 )) (( segid " " and resid 71 and name HA )) 2.900 1.100 1.100 peak 602 spectrum 1 weight 0.10000E+01 volume 0.13889E-02 ppm1 1.669 ppm2 4.464 CV 1 ASSI { 607} (( segid " " and resid 72 and name HB3 )) (( segid " " and resid 73 and name HN )) 3.800 1.800 1.800 peak 607 spectrum 1 weight 0.10000E+01 volume 0.95729E-03 ppm1 3.754 ppm2 8.843 CV 1 ASSI { 608} (( segid " " and resid 72 and name HB2 )) (( segid " " and resid 73 and name HN )) 3.600 1.600 1.600 peak 608 spectrum 1 weight 0.10000E+01 volume 0.11820E-02 ppm1 3.797 ppm2 8.845 CV 1 ASSI { 611} (( segid " " and resid 73 and name HB2 )) (( segid " " and resid 73 and name HA )) 3.200 1.200 1.200 peak 611 spectrum 1 weight 0.10000E+01 volume 0.22919E-02 ppm1 2.249 ppm2 3.999 CV 1 ASSI { 612} (( segid " " and resid 73 and name HB3 )) (( segid " " and resid 73 and name HA )) 2.900 1.000 1.000 peak 612 spectrum 1 weight 0.10000E+01 volume 0.16183E-02 ppm1 2.044 ppm2 4.006 CV 1 ASSI { 613} (( segid " " and resid 73 and name HB3 )) (( segid " " and resid 51 and name HA )) 3.300 1.400 1.400 peak 613 spectrum 1 weight 0.10000E+01 volume 0.11230E-02 ppm1 2.044 ppm2 4.881 CV 1 ASSI { 614} (( segid " " and resid 73 and name HB2 )) (( segid " " and resid 51 and name HA )) 3.300 1.400 1.400 peak 614 spectrum 1 weight 0.10000E+01 volume 0.97818E-03 ppm1 2.249 ppm2 4.881 CV 1 ASSI { 617} (( segid " " and resid 73 and name HB2 )) (( segid " " and resid 73 and name HN )) 3.800 1.800 1.800 peak 617 spectrum 1 weight 0.10000E+01 volume 0.79279E-03 ppm1 2.249 ppm2 8.853 CV 1 ASSI { 618} (( segid " " and resid 73 and name HB2 )) (( segid " " and resid 51 and name HB2 )) 3.700 1.700 1.700 peak 618 spectrum 1 weight 0.10000E+01 volume 0.68070E-03 ppm1 2.250 ppm2 3.572 CV 1 ASSI { 623} (( segid " " and resid 73 and name HG2 )) (( segid " " and resid 72 and name HB2 )) 3.200 1.300 1.300 peak 623 spectrum 1 weight 0.10000E+01 volume 0.16303E-02 ppm1 2.198 ppm2 3.783 CV 1 OR { 623} (( segid " " and resid 73 and name HG2 )) (( segid " " and resid 72 and name HB3 )) ASSI { 624} (( segid " " and resid 73 and name HG3 )) (( segid " " and resid 72 and name HB2 )) 3.600 1.600 1.600 peak 624 spectrum 1 weight 0.10000E+01 volume 0.17012E-02 ppm1 2.103 ppm2 3.783 CV 1 OR { 624} (( segid " " and resid 73 and name HG3 )) (( segid " " and resid 72 and name HB3 )) ASSI { 625} (( segid " " and resid 73 and name HG2 )) (( segid " " and resid 73 and name HA )) 3.000 1.100 1.100 peak 625 spectrum 1 weight 0.10000E+01 volume 0.24177E-02 ppm1 2.198 ppm2 3.996 CV 1 ASSI { 626} (( segid " " and resid 73 and name HG3 )) (( segid " " and resid 73 and name HA )) 3.300 1.300 1.300 peak 626 spectrum 1 weight 0.10000E+01 volume 0.31914E-02 ppm1 2.103 ppm2 3.996 CV 1 ASSI { 628} (( segid " " and resid 73 and name HG2 )) (( segid " " and resid 73 and name HN )) 3.200 1.300 1.300 peak 628 spectrum 1 weight 0.10000E+01 volume 0.12315E-02 ppm1 2.198 ppm2 8.853 CV 1 ASSI { 629} (( segid " " and resid 73 and name HG3 )) (( segid " " and resid 51 and name HN )) 4.100 2.100 1.900 peak 629 spectrum 1 weight 0.10000E+01 volume 0.96861E-03 ppm1 2.104 ppm2 8.169 CV 1 ASSI { 630} (( segid " " and resid 73 and name HG3 )) (( segid " " and resid 73 and name HN )) 3.900 1.900 1.900 peak 630 spectrum 1 weight 0.10000E+01 volume 0.13180E-02 ppm1 2.103 ppm2 8.853 CV 1 ASSI { 632} (( segid " " and resid 74 and name HB3 )) (( segid " " and resid 74 and name HA )) 2.900 1.000 1.000 peak 632 spectrum 1 weight 0.10000E+01 volume 0.18097E-02 ppm1 3.192 ppm2 5.125 CV 1 OR { 632} (( segid " " and resid 74 and name HB2 )) (( segid " " and resid 74 and name HA )) ASSI { 634} (( segid " " and resid 74 and name HB2 )) (( segid " " and resid 74 and name HD22)) 3.900 1.900 1.900 peak 634 spectrum 1 weight 0.10000E+01 volume 0.13889E-02 ppm1 3.192 ppm2 7.167 CV 1 OR { 634} (( segid " " and resid 74 and name HB3 )) (( segid " " and resid 74 and name HD22)) ASSI { 637} (( segid " " and resid 74 and name HB3 )) (( segid " " and resid 75 and name HN )) 2.800 1.000 1.000 peak 637 spectrum 1 weight 0.10000E+01 volume 0.31491E-02 ppm1 3.192 ppm2 8.702 CV 1 OR { 637} (( segid " " and resid 74 and name HB2 )) (( segid " " and resid 75 and name HN )) ASSI { 641} (( segid " " and resid 74 and name HB2 )) (( segid " " and resid 76 and name HG13)) 4.200 2.200 1.800 peak 641 spectrum 1 weight 0.10000E+01 volume 0.62468E-03 ppm1 3.192 ppm2 0.915 CV 1 OR { 641} (( segid " " and resid 74 and name HB3 )) (( segid " " and resid 76 and name HG13)) OR { 641} (( segid " " and resid 74 and name HB2 )) ( segid " " and resid 76 and name HG2%) ASSI { 644} (( segid " " and resid 75 and name HB3 )) ( segid " " and resid 55 and name HG2%) 2.300 2.300 3.700 peak 644 spectrum 1 weight 0.10000E+01 volume 0.31109E-02 ppm1 1.541 ppm2 1.178 CV 1 ASSI { 645} (( segid " " and resid 75 and name HB2 )) (( segid " " and resid 75 and name HD3 )) 3.000 1.200 1.200 peak 645 spectrum 1 weight 0.10000E+01 volume 0.17883E-02 ppm1 2.028 ppm2 3.144 CV 1 OR { 645} (( segid " " and resid 75 and name HB2 )) (( segid " " and resid 75 and name HD2 )) ASSI { 646} (( segid " " and resid 75 and name HB3 )) (( segid " " and resid 75 and name HD2 )) 3.200 1.300 1.300 peak 646 spectrum 1 weight 0.10000E+01 volume 0.17203E-02 ppm1 1.541 ppm2 3.150 CV 1 ASSI { 647} (( segid " " and resid 75 and name HB2 )) (( segid " " and resid 75 and name HB3 )) 1.700 0.400 0.500 peak 647 spectrum 1 weight 0.10000E+01 volume 0.12553E-01 ppm1 2.028 ppm2 1.545 CV 1 OR { 647} (( segid " " and resid 75 and name HB2 )) (( segid " " and resid 75 and name HG2 )) ASSI { 648} (( segid " " and resid 75 and name HB2 )) ( segid " " and resid 55 and name HG2%) 2.400 2.400 3.600 peak 648 spectrum 1 weight 0.10000E+01 volume 0.26359E-02 ppm1 2.028 ppm2 1.180 CV 1 ASSI { 649} (( segid " " and resid 75 and name HB2 )) (( segid " " and resid 75 and name HA )) 2.900 1.000 1.000 peak 649 spectrum 1 weight 0.10000E+01 volume 0.28236E-02 ppm1 2.028 ppm2 4.654 CV 1 ASSI { 650} (( segid " " and resid 75 and name HB3 )) (( segid " " and resid 75 and name HA )) 2.900 1.000 1.000 peak 650 spectrum 1 weight 0.10000E+01 volume 0.18556E-02 ppm1 1.541 ppm2 4.654 CV 1 ASSI { 651} (( segid " " and resid 75 and name HB3 )) (( segid " " and resid 55 and name HA )) 3.400 1.400 1.400 peak 651 spectrum 1 weight 0.10000E+01 volume 0.94121E-03 ppm1 1.541 ppm2 4.323 CV 1 ASSI { 652} (( segid " " and resid 75 and name HB2 )) (( segid " " and resid 55 and name HA )) 3.300 1.400 1.400 peak 652 spectrum 1 weight 0.10000E+01 volume 0.82736E-03 ppm1 2.028 ppm2 4.331 CV 1 ASSI { 653} (( segid " " and resid 75 and name HB2 )) (( segid " " and resid 75 and name HN )) 3.000 1.100 1.100 peak 653 spectrum 1 weight 0.10000E+01 volume 0.10038E-02 ppm1 2.028 ppm2 8.693 CV 1 ASSI { 657} (( segid " " and resid 75 and name HG2 )) (( segid " " and resid 75 and name HD2 )) 2.600 0.800 0.800 peak 657 spectrum 1 weight 0.10000E+01 volume 0.38739E-02 ppm1 1.535 ppm2 3.143 CV 1 OR { 657} (( segid " " and resid 75 and name HG2 )) (( segid " " and resid 75 and name HD3 )) ASSI { 658} (( segid " " and resid 75 and name HG3 )) (( segid " " and resid 75 and name HD3 )) 2.700 0.900 0.900 peak 658 spectrum 1 weight 0.10000E+01 volume 0.33101E-02 ppm1 1.436 ppm2 3.143 CV 1 OR { 658} (( segid " " and resid 75 and name HG3 )) (( segid " " and resid 75 and name HD2 )) ASSI { 659} (( segid " " and resid 75 and name HG3 )) (( segid " " and resid 75 and name HA )) 3.000 1.200 1.200 peak 659 spectrum 1 weight 0.10000E+01 volume 0.24481E-02 ppm1 1.436 ppm2 4.656 CV 1 ASSI { 660} (( segid " " and resid 75 and name HG2 )) (( segid " " and resid 75 and name HA )) 2.800 1.000 1.000 peak 660 spectrum 1 weight 0.10000E+01 volume 0.22347E-02 ppm1 1.535 ppm2 4.665 CV 1 ASSI { 661} (( segid " " and resid 75 and name HG2 )) (( segid " " and resid 75 and name HN )) 3.800 1.800 1.800 peak 661 spectrum 1 weight 0.10000E+01 volume 0.12065E-02 ppm1 1.536 ppm2 8.697 CV 1 ASSI { 662} (( segid " " and resid 75 and name HG3 )) (( segid " " and resid 75 and name HN )) 3.300 1.400 1.400 peak 662 spectrum 1 weight 0.10000E+01 volume 0.86429E-03 ppm1 1.436 ppm2 8.705 CV 1 ASSI { 665} (( segid " " and resid 75 and name HD2 )) (( segid " " and resid 75 and name HB2 )) 2.700 0.900 0.900 peak 665 spectrum 1 weight 0.10000E+01 volume 0.23867E-02 ppm1 3.168 ppm2 2.030 CV 1 ASSI { 666} (( segid " " and resid 75 and name HD2 )) (( segid " " and resid 75 and name HG2 )) 2.700 0.900 0.900 peak 666 spectrum 1 weight 0.10000E+01 volume 0.56395E-02 ppm1 3.168 ppm2 1.534 CV 1 OR { 666} (( segid " " and resid 75 and name HD2 )) (( segid " " and resid 75 and name HB3 )) ASSI { 667} (( segid " " and resid 75 and name HD2 )) (( segid " " and resid 75 and name HG3 )) 2.400 0.700 0.700 peak 667 spectrum 1 weight 0.10000E+01 volume 0.45296E-02 ppm1 3.168 ppm2 1.440 CV 1 ASSI { 668} (( segid " " and resid 75 and name HD2 )) ( segid " " and resid 55 and name HG2%) 2.600 2.600 3.400 peak 668 spectrum 1 weight 0.10000E+01 volume 0.14425E-02 ppm1 3.168 ppm2 1.182 CV 1 ASSI { 669} (( segid " " and resid 75 and name HD3 )) (( segid " " and resid 75 and name HB2 )) 3.200 1.300 1.300 peak 669 spectrum 1 weight 0.10000E+01 volume 0.24290E-02 ppm1 3.109 ppm2 2.030 CV 1 ASSI { 670} (( segid " " and resid 75 and name HD3 )) (( segid " " and resid 75 and name HG2 )) 2.400 0.700 0.700 peak 670 spectrum 1 weight 0.10000E+01 volume 0.50035E-02 ppm1 3.109 ppm2 1.540 CV 1 OR { 670} (( segid " " and resid 75 and name HD3 )) (( segid " " and resid 75 and name HB3 )) ASSI { 671} (( segid " " and resid 75 and name HD3 )) (( segid " " and resid 75 and name HG3 )) 2.800 1.000 1.000 peak 671 spectrum 1 weight 0.10000E+01 volume 0.41612E-02 ppm1 3.109 ppm2 1.433 CV 1 ASSI { 672} (( segid " " and resid 75 and name HD3 )) ( segid " " and resid 55 and name HG2%) 2.700 2.700 3.300 peak 672 spectrum 1 weight 0.10000E+01 volume 0.13984E-02 ppm1 3.109 ppm2 1.182 CV 1 ASSI { 673} (( segid " " and resid 75 and name HD2 )) (( segid " " and resid 75 and name HA )) 4.500 2.500 1.500 peak 673 spectrum 1 weight 0.10000E+01 volume 0.10634E-02 ppm1 3.168 ppm2 4.666 CV 1 ASSI { 674} (( segid " " and resid 75 and name HD3 )) (( segid " " and resid 75 and name HA )) 4.400 2.400 1.600 peak 674 spectrum 1 weight 0.10000E+01 volume 0.97282E-03 ppm1 3.109 ppm2 4.666 CV 1 ASSI { 677} (( segid " " and resid 76 and name HA )) (( segid " " and resid 76 and name HG12)) 3.000 1.100 1.100 peak 677 spectrum 1 weight 0.10000E+01 volume 0.21101E-02 ppm1 3.688 ppm2 1.403 CV 1 ASSI { 678} (( segid " " and resid 76 and name HA )) ( segid " " and resid 76 and name HG2%) 2.500 0.800 0.800 peak 678 spectrum 1 weight 0.10000E+01 volume 0.61636E-02 ppm1 3.688 ppm2 0.933 CV 1 OR { 678} (( segid " " and resid 76 and name HA )) (( segid " " and resid 76 and name HG13)) ASSI { 680} (( segid " " and resid 76 and name HA )) (( segid " " and resid 78 and name HN )) 4.000 2.000 2.000 peak 680 spectrum 1 weight 0.10000E+01 volume 0.18777E-02 ppm1 3.688 ppm2 7.227 CV 1 ASSI { 682} (( segid " " and resid 76 and name HA )) (( segid " " and resid 77 and name HN )) 2.200 0.600 0.600 peak 682 spectrum 1 weight 0.10000E+01 volume 0.73677E-02 ppm1 3.688 ppm2 9.137 CV 1 ASSI { 684} (( segid " " and resid 76 and name HB )) ( segid " " and resid 76 and name HG2%) 2.100 0.600 0.600 peak 684 spectrum 1 weight 0.10000E+01 volume 0.73141E-02 ppm1 1.644 ppm2 0.935 CV 1 OR { 684} (( segid " " and resid 76 and name HB )) (( segid " " and resid 76 and name HG13)) ASSI { 685} (( segid " " and resid 76 and name HB )) (( segid " " and resid 76 and name HG12)) 2.500 0.800 0.800 peak 685 spectrum 1 weight 0.10000E+01 volume 0.26245E-02 ppm1 1.644 ppm2 1.411 CV 1 ASSI { 688} (( segid " " and resid 76 and name HB )) (( segid " " and resid 76 and name HA )) 3.000 1.100 1.100 peak 688 spectrum 1 weight 0.10000E+01 volume 0.16321E-02 ppm1 1.644 ppm2 3.687 CV 1 ASSI { 691} ( segid " " and resid 76 and name HD1%) (( segid " " and resid 76 and name HA )) 2.500 0.800 0.800 peak 691 spectrum 1 weight 0.10000E+01 volume 0.30072E-02 ppm1 0.761 ppm2 3.686 CV 1 ASSI { 694} ( segid " " and resid 76 and name HG2%) ( segid " " and resid 76 and name HD1%) 2.100 0.600 0.600 peak 694 spectrum 1 weight 0.10000E+01 volume 0.14848E-01 ppm1 0.941 ppm2 0.758 CV 1 ASSI { 695} ( segid " " and resid 76 and name HG2%) ( segid " " and resid 80 and name HD2%) 2.200 0.600 0.600 peak 695 spectrum 1 weight 0.10000E+01 volume 0.95017E-02 ppm1 0.941 ppm2 0.653 CV 1 ASSI { 696} ( segid " " and resid 76 and name HG2%) (( segid " " and resid 76 and name HG12)) 3.200 1.200 1.200 peak 696 spectrum 1 weight 0.10000E+01 volume 0.49344E-02 ppm1 0.941 ppm2 1.411 CV 1 ASSI { 698} ( segid " " and resid 76 and name HG2%) (( segid " " and resid 76 and name HA )) 2.500 0.800 0.800 peak 698 spectrum 1 weight 0.10000E+01 volume 0.59156E-02 ppm1 0.941 ppm2 3.694 CV 1 ASSI { 700} ( segid " " and resid 76 and name HG2%) (( segid " " and resid 76 and name HN )) 3.900 1.900 1.900 peak 700 spectrum 1 weight 0.10000E+01 volume 0.24445E-02 ppm1 0.941 ppm2 8.901 CV 1 ASSI { 701} ( segid " " and resid 76 and name HG2%) (( segid " " and resid 77 and name HN )) 2.700 0.900 0.900 peak 701 spectrum 1 weight 0.10000E+01 volume 0.44968E-02 ppm1 0.941 ppm2 9.148 CV 1 ASSI { 705} (( segid " " and resid 77 and name HB2 )) (( segid " " and resid 77 and name HA )) 2.600 0.800 0.800 peak 705 spectrum 1 weight 0.10000E+01 volume 0.45892E-02 ppm1 4.215 ppm2 4.971 CV 1 ASSI { 706} (( segid " " and resid 77 and name HB3 )) (( segid " " and resid 77 and name HA )) 2.600 0.900 0.900 peak 706 spectrum 1 weight 0.10000E+01 volume 0.45946E-02 ppm1 3.684 ppm2 4.971 CV 1 ASSI { 718} (( segid " " and resid 78 and name HA1 )) ( segid " " and resid 105 and name HG2%) 2.800 1.000 1.000 peak 718 spectrum 1 weight 0.10000E+01 volume 0.28314E-02 ppm1 4.216 ppm2 1.363 CV 1 ASSI { 723} (( segid " " and resid 79 and name HB3 )) (( segid " " and resid 57 and name HG12)) 3.500 1.500 1.500 peak 723 spectrum 1 weight 0.10000E+01 volume 0.10134E-02 ppm1 2.969 ppm2 1.337 CV 1 OR { 723} (( segid " " and resid 79 and name HB2 )) (( segid " " and resid 57 and name HG12)) ASSI { 724} (( segid " " and resid 79 and name HB3 )) (( segid " " and resid 79 and name HA )) 2.500 0.800 0.800 peak 724 spectrum 1 weight 0.10000E+01 volume 0.65449E-02 ppm1 2.969 ppm2 4.655 CV 1 OR { 724} (( segid " " and resid 79 and name HB2 )) (( segid " " and resid 79 and name HA )) ASSI { 727} (( segid " " and resid 80 and name HB2 )) (( segid " " and resid 80 and name HG )) 2.500 0.800 0.800 peak 727 spectrum 1 weight 0.10000E+01 volume 0.23945E-02 ppm1 1.750 ppm2 1.571 CV 1 ASSI { 728} (( segid " " and resid 80 and name HB2 )) (( segid " " and resid 80 and name HB3 )) 1.800 0.400 0.400 peak 728 spectrum 1 weight 0.10000E+01 volume 0.45511E-02 ppm1 1.750 ppm2 1.447 CV 1 ASSI { 731} (( segid " " and resid 80 and name HB3 )) (( segid " " and resid 80 and name HG )) 3.000 1.100 1.100 peak 731 spectrum 1 weight 0.10000E+01 volume 0.24785E-02 ppm1 1.443 ppm2 1.571 CV 1 ASSI { 735} (( segid " " and resid 80 and name HB2 )) (( segid " " and resid 80 and name HA )) 3.100 1.200 1.200 peak 735 spectrum 1 weight 0.10000E+01 volume 0.18395E-02 ppm1 1.750 ppm2 3.992 CV 1 ASSI { 745} (( segid " " and resid 108 and name HG3 )) (( segid " " and resid 108 and name HA )) 3.000 1.100 1.100 peak 745 spectrum 1 weight 0.10000E+01 volume 0.29154E-02 ppm1 2.057 ppm2 4.412 CV 1 OR { 745} (( segid " " and resid 108 and name HG2 )) (( segid " " and resid 108 and name HA )) ASSI { 751} (( segid " " and resid 81 and name HG2 )) (( segid " " and resid 81 and name HA )) 3.000 1.100 1.100 peak 751 spectrum 1 weight 0.10000E+01 volume 0.37708E-02 ppm1 2.343 ppm2 4.015 CV 1 OR { 751} (( segid " " and resid 81 and name HG3 )) (( segid " " and resid 81 and name HA )) ASSI { 753} (( segid " " and resid 82 and name HB )) (( segid " " and resid 82 and name HA )) 2.400 0.700 0.700 peak 753 spectrum 1 weight 0.10000E+01 volume 0.73497E-02 ppm1 2.151 ppm2 3.950 CV 1 ASSI { 756} ( segid " " and resid 82 and name HG1%) (( segid " " and resid 82 and name HB )) 2.100 0.500 0.500 peak 756 spectrum 1 weight 0.10000E+01 volume 0.12703E-01 ppm1 1.064 ppm2 2.150 CV 1 ASSI { 758} ( segid " " and resid 82 and name HG2%) (( segid " " and resid 82 and name HB )) 2.200 0.600 0.600 peak 758 spectrum 1 weight 0.10000E+01 volume 0.97638E-02 ppm1 0.971 ppm2 2.154 CV 1 ASSI { 761} (( segid " " and resid 83 and name HB2 )) (( segid " " and resid 83 and name HA )) 3.000 1.200 1.200 peak 761 spectrum 1 weight 0.10000E+01 volume 0.23790E-02 ppm1 1.891 ppm2 3.906 CV 1 ASSI { 762} (( segid " " and resid 83 and name HB3 )) (( segid " " and resid 83 and name HA )) 2.400 0.700 0.700 peak 762 spectrum 1 weight 0.10000E+01 volume 0.29345E-02 ppm1 1.212 ppm2 3.911 CV 1 ASSI { 766} (( segid " " and resid 83 and name HB3 )) ( segid " " and resid 83 and name HD1%) 2.600 0.800 0.800 peak 766 spectrum 1 weight 0.10000E+01 volume 0.44861E-02 ppm1 1.212 ppm2 0.801 CV 1 ASSI { 768} (( segid " " and resid 83 and name HB3 )) (( segid " " and resid 83 and name HG )) 3.200 1.200 1.200 peak 768 spectrum 1 weight 0.10000E+01 volume 0.19832E-02 ppm1 1.212 ppm2 1.568 CV 1 ASSI { 769} (( segid " " and resid 83 and name HB2 )) (( segid " " and resid 83 and name HG )) 2.600 0.800 0.800 peak 769 spectrum 1 weight 0.10000E+01 volume 0.23241E-02 ppm1 1.891 ppm2 1.572 CV 1 ASSI { 770} (( segid " " and resid 83 and name HB2 )) (( segid " " and resid 83 and name HB3 )) 1.700 0.400 0.500 peak 770 spectrum 1 weight 0.10000E+01 volume 0.74870E-02 ppm1 1.891 ppm2 1.220 CV 1 ASSI { 772} ( segid " " and resid 83 and name HD2%) (( segid " " and resid 83 and name HB3 )) 2.500 0.800 0.800 peak 772 spectrum 1 weight 0.10000E+01 volume 0.46268E-02 ppm1 0.637 ppm2 1.220 CV 1 ASSI { 773} ( segid " " and resid 83 and name HD2%) (( segid " " and resid 83 and name HG )) 2.100 0.600 0.600 peak 773 spectrum 1 weight 0.10000E+01 volume 0.88874E-02 ppm1 0.637 ppm2 1.579 CV 1 ASSI { 774} ( segid " " and resid 83 and name HD2%) (( segid " " and resid 83 and name HB2 )) 3.300 1.300 1.300 peak 774 spectrum 1 weight 0.10000E+01 volume 0.42858E-02 ppm1 0.637 ppm2 1.892 CV 1 ASSI { 776} ( segid " " and resid 83 and name HD2%) (( segid " " and resid 83 and name HA )) 2.100 0.500 0.500 peak 776 spectrum 1 weight 0.10000E+01 volume 0.99307E-02 ppm1 0.637 ppm2 3.913 CV 1 ASSI { 777} ( segid " " and resid 83 and name HD2%) (( segid " " and resid 83 and name HN )) 3.300 1.400 1.400 peak 777 spectrum 1 weight 0.10000E+01 volume 0.26323E-02 ppm1 0.637 ppm2 7.302 CV 1 ASSI { 785} ( segid " " and resid 84 and name HB% ) (( segid " " and resid 84 and name HA )) 2.000 0.500 0.500 peak 785 spectrum 1 weight 0.10000E+01 volume 0.14455E-01 ppm1 1.334 ppm2 3.902 CV 1 ASSI { 786} ( segid " " and resid 84 and name HB% ) (( segid " " and resid 84 and name HN )) 2.100 0.500 0.500 peak 786 spectrum 1 weight 0.10000E+01 volume 0.11511E-01 ppm1 1.334 ppm2 7.375 CV 1 ASSI { 790} (( segid " " and resid 85 and name HB3 )) (( segid " " and resid 85 and name HA )) 2.400 0.700 0.700 peak 790 spectrum 1 weight 0.10000E+01 volume 0.89831E-02 ppm1 2.071 ppm2 4.192 CV 1 OR { 790} (( segid " " and resid 85 and name HB2 )) (( segid " " and resid 85 and name HA )) ASSI { 794} (( segid " " and resid 85 and name HG3 )) (( segid " " and resid 85 and name HA )) 3.500 1.600 1.600 peak 794 spectrum 1 weight 0.10000E+01 volume 0.28236E-02 ppm1 2.167 ppm2 4.190 CV 1 ASSI { 795} (( segid " " and resid 85 and name HG2 )) (( segid " " and resid 85 and name HA )) 3.000 1.100 1.100 peak 795 spectrum 1 weight 0.10000E+01 volume 0.27050E-02 ppm1 2.321 ppm2 4.190 CV 1 ASSI { 800} (( segid " " and resid 86 and name HB2 )) (( segid " " and resid 86 and name HB3 )) 1.900 0.400 0.400 peak 800 spectrum 1 weight 0.10000E+01 volume 0.48270E-02 ppm1 2.351 ppm2 1.756 CV 1 ASSI { 802} (( segid " " and resid 86 and name HB3 )) (( segid " " and resid 86 and name HG2 )) 2.600 0.900 0.900 peak 802 spectrum 1 weight 0.10000E+01 volume 0.42912E-02 ppm1 1.754 ppm2 1.444 CV 1 OR { 802} (( segid " " and resid 86 and name HB3 )) (( segid " " and resid 86 and name HG3 )) OR { 802} (( segid " " and resid 86 and name HB3 )) (( segid " " and resid 86 and name HD2 )) ASSI { 803} (( segid " " and resid 86 and name HB3 )) (( segid " " and resid 86 and name HD3 )) 3.000 1.100 1.100 peak 803 spectrum 1 weight 0.10000E+01 volume 0.13007E-02 ppm1 1.754 ppm2 1.261 CV 1 ASSI { 804} (( segid " " and resid 86 and name HB3 )) ( segid " " and resid 60 and name HD1%) 3.600 1.600 1.600 peak 804 spectrum 1 weight 0.10000E+01 volume 0.14061E-02 ppm1 1.754 ppm2 0.702 CV 1 ASSI { 805} (( segid " " and resid 86 and name HB2 )) (( segid " " and resid 86 and name HG3 )) 2.600 0.800 0.800 peak 805 spectrum 1 weight 0.10000E+01 volume 0.34132E-02 ppm1 2.351 ppm2 1.444 CV 1 OR { 805} (( segid " " and resid 86 and name HB2 )) (( segid " " and resid 86 and name HG2 )) OR { 805} (( segid " " and resid 86 and name HB2 )) (( segid " " and resid 86 and name HD2 )) ASSI { 807} (( segid " " and resid 86 and name HB2 )) ( segid " " and resid 60 and name HD1%) 3.600 1.600 1.600 peak 807 spectrum 1 weight 0.10000E+01 volume 0.10467E-02 ppm1 2.351 ppm2 0.702 CV 1 ASSI { 808} (( segid " " and resid 86 and name HB2 )) (( segid " " and resid 86 and name HA )) 2.900 1.100 1.100 peak 808 spectrum 1 weight 0.10000E+01 volume 0.19260E-02 ppm1 2.351 ppm2 4.323 CV 1 ASSI { 809} (( segid " " and resid 86 and name HB3 )) (( segid " " and resid 86 and name HA )) 2.800 1.000 1.000 peak 809 spectrum 1 weight 0.10000E+01 volume 0.18013E-02 ppm1 1.754 ppm2 4.323 CV 1 ASSI { 810} (( segid " " and resid 86 and name HB2 )) (( segid " " and resid 62 and name HA )) 2.700 0.900 0.900 peak 810 spectrum 1 weight 0.10000E+01 volume 0.14634E-02 ppm1 2.351 ppm2 4.231 CV 1 ASSI { 811} (( segid " " and resid 86 and name HB3 )) (( segid " " and resid 62 and name HA )) 3.300 1.400 1.400 peak 811 spectrum 1 weight 0.10000E+01 volume 0.11403E-02 ppm1 1.754 ppm2 4.231 CV 1 ASSI { 814} (( segid " " and resid 86 and name HB3 )) (( segid " " and resid 87 and name HN )) 4.200 2.200 1.800 peak 814 spectrum 1 weight 0.10000E+01 volume 0.93584E-03 ppm1 1.754 ppm2 8.456 CV 1 ASSI { 818} (( segid " " and resid 89 and name HB2 )) (( segid " " and resid 89 and name HA )) 3.200 1.300 1.300 peak 818 spectrum 1 weight 0.10000E+01 volume 0.30072E-02 ppm1 2.797 ppm2 4.898 CV 1 ASSI { 819} (( segid " " and resid 89 and name HB3 )) (( segid " " and resid 89 and name HA )) 3.000 1.100 1.100 peak 819 spectrum 1 weight 0.10000E+01 volume 0.16398E-02 ppm1 2.609 ppm2 4.903 CV 1 ASSI { 822} (( segid " " and resid 90 and name HB2 )) (( segid " " and resid 90 and name HA )) 2.600 0.800 0.800 peak 822 spectrum 1 weight 0.10000E+01 volume 0.18395E-02 ppm1 1.742 ppm2 3.975 CV 1 ASSI { 823} (( segid " " and resid 90 and name HB3 )) (( segid " " and resid 90 and name HA )) 3.000 1.100 1.100 peak 823 spectrum 1 weight 0.10000E+01 volume 0.21048E-02 ppm1 1.551 ppm2 3.975 CV 1 ASSI { 826} (( segid " " and resid 90 and name HB2 )) (( segid " " and resid 87 and name HB3 )) 2.700 0.900 0.900 peak 826 spectrum 1 weight 0.10000E+01 volume 0.12166E-02 ppm1 1.742 ppm2 2.821 CV 1 ASSI { 830} (( segid " " and resid 91 and name HB2 )) (( segid " " and resid 91 and name HE2 )) 4.100 2.100 1.900 peak 830 spectrum 1 weight 0.10000E+01 volume 0.13370E-02 ppm1 1.837 ppm2 3.045 CV 1 OR { 830} (( segid " " and resid 91 and name HB2 )) (( segid " " and resid 91 and name HE3 )) ASSI { 831} (( segid " " and resid 91 and name HB3 )) (( segid " " and resid 91 and name HE2 )) 4.100 2.100 1.900 peak 831 spectrum 1 weight 0.10000E+01 volume 0.13137E-02 ppm1 1.796 ppm2 3.045 CV 1 OR { 831} (( segid " " and resid 91 and name HB3 )) (( segid " " and resid 91 and name HE3 )) ASSI { 832} (( segid " " and resid 91 and name HB3 )) (( segid " " and resid 91 and name HG3 )) 3.000 1.100 1.100 peak 832 spectrum 1 weight 0.10000E+01 volume 0.25822E-02 ppm1 1.797 ppm2 1.428 CV 1 ASSI { 833} (( segid " " and resid 91 and name HB2 )) (( segid " " and resid 91 and name HG3 )) 2.500 0.800 0.800 peak 833 spectrum 1 weight 0.10000E+01 volume 0.27736E-02 ppm1 1.837 ppm2 1.427 CV 1 ASSI { 834} (( segid " " and resid 91 and name HB2 )) (( segid " " and resid 90 and name HA )) 4.600 2.700 1.400 peak 834 spectrum 1 weight 0.10000E+01 volume 0.69744E-03 ppm1 1.837 ppm2 3.976 CV 1 ASSI { 835} (( segid " " and resid 91 and name HB3 )) (( segid " " and resid 90 and name HA )) 4.600 2.600 1.400 peak 835 spectrum 1 weight 0.10000E+01 volume 0.62528E-03 ppm1 1.797 ppm2 3.975 CV 1 ASSI { 838} (( segid " " and resid 91 and name HB2 )) (( segid " " and resid 91 and name HA )) 2.800 1.000 1.000 peak 838 spectrum 1 weight 0.10000E+01 volume 0.20588E-02 ppm1 1.837 ppm2 5.254 CV 1 ASSI { 839} (( segid " " and resid 91 and name HB3 )) (( segid " " and resid 91 and name HA )) 2.500 0.800 0.800 peak 839 spectrum 1 weight 0.10000E+01 volume 0.20022E-02 ppm1 1.797 ppm2 5.256 CV 1 ASSI { 840} (( segid " " and resid 91 and name HB2 )) (( segid " " and resid 92 and name HN )) 3.400 1.400 1.400 peak 840 spectrum 1 weight 0.10000E+01 volume 0.13162E-02 ppm1 1.837 ppm2 8.193 CV 1 ASSI { 841} (( segid " " and resid 91 and name HB3 )) (( segid " " and resid 92 and name HN )) 3.900 1.900 1.900 peak 841 spectrum 1 weight 0.10000E+01 volume 0.11218E-02 ppm1 1.797 ppm2 8.189 CV 1 ASSI { 846} (( segid " " and resid 91 and name HG2 )) (( segid " " and resid 91 and name HA )) 3.300 1.300 1.300 peak 846 spectrum 1 weight 0.10000E+01 volume 0.12065E-02 ppm1 1.771 ppm2 5.261 CV 1 ASSI { 847} (( segid " " and resid 91 and name HG3 )) (( segid " " and resid 91 and name HA )) 3.400 1.400 1.400 peak 847 spectrum 1 weight 0.10000E+01 volume 0.14043E-02 ppm1 1.426 ppm2 5.261 CV 1 ASSI { 853} (( segid " " and resid 92 and name HB2 )) (( segid " " and resid 68 and name HA )) 4.500 2.500 1.500 peak 853 spectrum 1 weight 0.10000E+01 volume 0.11624E-02 ppm1 3.113 ppm2 5.471 CV 1 ASSI { 855} (( segid " " and resid 92 and name HA )) (( segid " " and resid 92 and name HB3 )) 3.100 1.200 1.200 peak 855 spectrum 1 weight 0.10000E+01 volume 0.22269E-02 ppm1 5.674 ppm2 3.012 CV 1 ASSI { 856} (( segid " " and resid 92 and name HA )) (( segid " " and resid 92 and name HB2 )) 2.700 0.900 0.900 peak 856 spectrum 1 weight 0.10000E+01 volume 0.18556E-02 ppm1 5.674 ppm2 3.111 CV 1 ASSI { 861} (( segid " " and resid 93 and name HB2 )) (( segid " " and resid 93 and name HA )) 3.000 1.200 1.200 peak 861 spectrum 1 weight 0.10000E+01 volume 0.10497E-02 ppm1 1.997 ppm2 5.276 CV 1 ASSI { 862} (( segid " " and resid 93 and name HB3 )) (( segid " " and resid 93 and name HA )) 3.400 1.400 1.400 peak 862 spectrum 1 weight 0.10000E+01 volume 0.11582E-02 ppm1 1.272 ppm2 5.272 CV 1 ASSI { 869} (( segid " " and resid 94 and name HB2 )) (( segid " " and resid 94 and name HA )) 3.100 1.200 1.200 peak 869 spectrum 1 weight 0.10000E+01 volume 0.10676E-02 ppm1 3.401 ppm2 5.404 CV 1 ASSI { 873} (( segid " " and resid 94 and name HB2 )) (( segid " " and resid 94 and name HD21)) 3.300 1.400 1.400 peak 873 spectrum 1 weight 0.10000E+01 volume 0.80231E-03 ppm1 3.401 ppm2 8.690 CV 1 ASSI { 874} (( segid " " and resid 94 and name HB3 )) (( segid " " and resid 71 and name HN )) 3.500 1.500 1.500 peak 874 spectrum 1 weight 0.10000E+01 volume 0.77846E-03 ppm1 2.795 ppm2 8.332 CV 1 ASSI { 879} (( segid " " and resid 95 and name HB2 )) (( segid " " and resid 95 and name HB3 )) 1.900 0.400 0.400 peak 879 spectrum 1 weight 0.10000E+01 volume 0.52101E-02 ppm1 1.880 ppm2 1.576 CV 1 ASSI { 881} (( segid " " and resid 95 and name HB2 )) ( segid " " and resid 95 and name HD1%) 2.600 0.900 0.900 peak 881 spectrum 1 weight 0.10000E+01 volume 0.68130E-02 ppm1 1.880 ppm2 0.763 CV 1 OR { 881} (( segid " " and resid 95 and name HB2 )) ( segid " " and resid 95 and name HD2%) ASSI { 885} (( segid " " and resid 95 and name HB2 )) (( segid " " and resid 95 and name HA )) 3.300 1.400 1.400 peak 885 spectrum 1 weight 0.10000E+01 volume 0.16821E-02 ppm1 1.880 ppm2 4.221 CV 1 ASSI { 886} (( segid " " and resid 95 and name HB3 )) (( segid " " and resid 95 and name HA )) 2.800 1.000 1.000 peak 886 spectrum 1 weight 0.10000E+01 volume 0.16929E-02 ppm1 1.575 ppm2 4.221 CV 1 ASSI { 891} (( segid " " and resid 96 and name HB2 )) (( segid " " and resid 96 and name HA )) 3.000 1.100 1.100 peak 891 spectrum 1 weight 0.10000E+01 volume 0.14502E-02 ppm1 3.940 ppm2 4.331 CV 1 ASSI { 892} (( segid " " and resid 96 and name HB3 )) (( segid " " and resid 96 and name HA )) 3.100 1.200 1.200 peak 892 spectrum 1 weight 0.10000E+01 volume 0.12047E-02 ppm1 3.818 ppm2 4.329 CV 1 ASSI { 904} (( segid " " and resid 98 and name HB2 )) (( segid " " and resid 98 and name HB3 )) 2.000 0.500 0.500 peak 904 spectrum 1 weight 0.10000E+01 volume 0.29655E-02 ppm1 3.027 ppm2 2.779 CV 1 ASSI { 911} (( segid " " and resid 98 and name HB3 )) (( segid " " and resid 98 and name HD22)) 3.900 1.900 1.900 peak 911 spectrum 1 weight 0.10000E+01 volume 0.10104E-02 ppm1 2.779 ppm2 6.301 CV 1 ASSI { 913} (( segid " " and resid 98 and name HB2 )) (( segid " " and resid 76 and name HB )) 4.300 2.300 1.700 peak 913 spectrum 1 weight 0.10000E+01 volume 0.83688E-03 ppm1 3.027 ppm2 1.644 CV 1 ASSI { 923} (( segid " " and resid 99 and name HB2 )) (( segid " " and resid 99 and name HB3 )) 1.700 0.300 0.500 peak 923 spectrum 1 weight 0.10000E+01 volume 0.12673E-01 ppm1 1.952 ppm2 1.379 CV 1 ASSI { 924} (( segid " " and resid 99 and name HB3 )) (( segid " " and resid 99 and name HD2 )) 3.400 1.400 1.400 peak 924 spectrum 1 weight 0.10000E+01 volume 0.16380E-02 ppm1 1.377 ppm2 1.648 CV 1 OR { 924} (( segid " " and resid 99 and name HB3 )) (( segid " " and resid 99 and name HD3 )) ASSI { 925} (( segid " " and resid 99 and name HB2 )) (( segid " " and resid 77 and name HB3 )) 3.100 1.200 1.200 peak 925 spectrum 1 weight 0.10000E+01 volume 0.19128E-02 ppm1 1.952 ppm2 3.688 CV 1 ASSI { 926} (( segid " " and resid 99 and name HB2 )) (( segid " " and resid 99 and name HE2 )) 4.200 2.200 1.800 peak 926 spectrum 1 weight 0.10000E+01 volume 0.12065E-02 ppm1 1.952 ppm2 2.986 CV 1 OR { 926} (( segid " " and resid 99 and name HB2 )) (( segid " " and resid 99 and name HE3 )) ASSI { 927} (( segid " " and resid 99 and name HB2 )) (( segid " " and resid 99 and name HA )) 2.600 0.900 0.900 peak 927 spectrum 1 weight 0.10000E+01 volume 0.33535E-02 ppm1 1.952 ppm2 4.684 CV 1 ASSI { 928} (( segid " " and resid 99 and name HB2 )) (( segid " " and resid 77 and name HA )) 3.900 1.900 1.900 peak 928 spectrum 1 weight 0.10000E+01 volume 0.10187E-02 ppm1 1.952 ppm2 4.973 CV 1 ASSI { 929} (( segid " " and resid 99 and name HB3 )) (( segid " " and resid 99 and name HE2 )) 4.300 2.300 1.700 peak 929 spectrum 1 weight 0.10000E+01 volume 0.85597E-03 ppm1 1.377 ppm2 2.993 CV 1 OR { 929} (( segid " " and resid 99 and name HB3 )) (( segid " " and resid 99 and name HE3 )) ASSI { 930} (( segid " " and resid 99 and name HB3 )) (( segid " " and resid 77 and name HB3 )) 2.900 1.100 1.100 peak 930 spectrum 1 weight 0.10000E+01 volume 0.16380E-02 ppm1 1.377 ppm2 3.688 CV 1 ASSI { 932} (( segid " " and resid 99 and name HB3 )) (( segid " " and resid 99 and name HA )) 2.900 1.000 1.000 peak 932 spectrum 1 weight 0.10000E+01 volume 0.23945E-02 ppm1 1.377 ppm2 4.684 CV 1 ASSI { 933} (( segid " " and resid 99 and name HB3 )) (( segid " " and resid 77 and name HA )) 3.100 3.100 2.900 peak 933 spectrum 1 weight 0.10000E+01 volume 0.11838E-02 ppm1 1.377 ppm2 4.980 CV 1 ASSI { 937} (( segid " " and resid 40 and name HB3 )) (( segid " " and resid 40 and name HG3 )) 3.000 1.100 1.100 peak 937 spectrum 1 weight 0.10000E+01 volume 0.29345E-02 ppm1 1.661 ppm2 2.300 CV 1 ASSI { 938} (( segid " " and resid 40 and name HB2 )) (( segid " " and resid 40 and name HG3 )) 2.400 0.700 0.700 peak 938 spectrum 1 weight 0.10000E+01 volume 0.41451E-02 ppm1 1.965 ppm2 2.302 CV 1 ASSI { 941} (( segid " " and resid 100 and name HB )) (( segid " " and resid 123 and name HB3 )) 3.300 3.300 2.700 peak 941 spectrum 1 weight 0.10000E+01 volume 0.12315E-02 ppm1 2.065 ppm2 3.076 CV 1 ASSI { 943} (( segid " " and resid 100 and name HB )) (( segid " " and resid 100 and name HA )) 2.900 1.100 1.100 peak 943 spectrum 1 weight 0.10000E+01 volume 0.16088E-02 ppm1 2.065 ppm2 4.193 CV 1 ASSI { 949} (( segid " " and resid 100 and name HG12)) (( segid " " and resid 100 and name HN )) 2.700 0.900 0.900 peak 949 spectrum 1 weight 0.10000E+01 volume 0.14944E-02 ppm1 1.398 ppm2 6.621 CV 1 ASSI { 952} ( segid " " and resid 100 and name HG2%) ( segid " " and resid 100 and name HD1%) 2.000 0.500 0.500 peak 952 spectrum 1 weight 0.10000E+01 volume 0.13590E-01 ppm1 0.777 ppm2 0.647 CV 1 ASSI { 955} ( segid " " and resid 100 and name HG2%) (( segid " " and resid 125 and name HB )) 3.600 1.600 1.600 peak 955 spectrum 1 weight 0.10000E+01 volume 0.32755E-02 ppm1 0.777 ppm2 1.624 CV 1 ASSI { 956} ( segid " " and resid 100 and name HG2%) (( segid " " and resid 100 and name HA )) 2.100 0.600 0.600 peak 956 spectrum 1 weight 0.10000E+01 volume 0.86254E-02 ppm1 0.777 ppm2 4.214 CV 1 ASSI { 957} ( segid " " and resid 100 and name HG2%) (( segid " " and resid 100 and name HN )) 3.800 1.800 1.800 peak 957 spectrum 1 weight 0.10000E+01 volume 0.16476E-02 ppm1 0.777 ppm2 6.615 CV 1 ASSI { 958} ( segid " " and resid 100 and name HG2%) (( segid " " and resid 102 and name HN )) 2.900 1.000 1.000 peak 958 spectrum 1 weight 0.10000E+01 volume 0.26972E-02 ppm1 0.777 ppm2 7.359 CV 1 ASSI { 959} ( segid " " and resid 100 and name HG2%) (( segid " " and resid 125 and name HN )) 4.000 2.000 2.000 peak 959 spectrum 1 weight 0.10000E+01 volume 0.12971E-02 ppm1 0.777 ppm2 8.170 CV 1 ASSI { 960} ( segid " " and resid 100 and name HG2%) (( segid " " and resid 101 and name HN )) 3.200 1.300 1.300 peak 960 spectrum 1 weight 0.10000E+01 volume 0.29536E-02 ppm1 0.777 ppm2 8.941 CV 1 ASSI { 964} ( segid " " and resid 100 and name HD1%) (( segid " " and resid 100 and name HG13)) 2.200 0.600 0.600 peak 964 spectrum 1 weight 0.10000E+01 volume 0.67714E-02 ppm1 0.637 ppm2 1.279 CV 1 ASSI { 967} ( segid " " and resid 100 and name HD1%) (( segid " " and resid 95 and name HB2 )) 3.800 1.800 1.800 peak 967 spectrum 1 weight 0.10000E+01 volume 0.18639E-02 ppm1 0.637 ppm2 1.884 CV 1 ASSI { 968} ( segid " " and resid 100 and name HD1%) (( segid " " and resid 100 and name HB )) 3.500 1.500 1.500 peak 968 spectrum 1 weight 0.10000E+01 volume 0.27622E-02 ppm1 0.637 ppm2 2.063 CV 1 ASSI { 969} ( segid " " and resid 100 and name HD1%) (( segid " " and resid 98 and name HB3 )) 3.100 1.200 1.200 peak 969 spectrum 1 weight 0.10000E+01 volume 0.16183E-02 ppm1 0.637 ppm2 2.779 CV 1 ASSI { 970} ( segid " " and resid 100 and name HD1%) (( segid " " and resid 98 and name HB2 )) 3.300 1.400 1.400 peak 970 spectrum 1 weight 0.10000E+01 volume 0.16667E-02 ppm1 0.637 ppm2 3.024 CV 1 ASSI { 972} ( segid " " and resid 100 and name HD1%) (( segid " " and resid 100 and name HA )) 2.100 0.600 0.600 peak 972 spectrum 1 weight 0.10000E+01 volume 0.72605E-02 ppm1 0.637 ppm2 4.205 CV 1 ASSI { 973} ( segid " " and resid 100 and name HD1%) (( segid " " and resid 77 and name HA )) 2.800 1.000 1.000 peak 973 spectrum 1 weight 0.10000E+01 volume 0.26704E-02 ppm1 0.637 ppm2 4.976 CV 1 ASSI { 974} ( segid " " and resid 100 and name HD1%) (( segid " " and resid 100 and name HN )) 3.500 1.600 1.600 peak 974 spectrum 1 weight 0.10000E+01 volume 0.18717E-02 ppm1 0.637 ppm2 6.619 CV 1 ASSI { 975} ( segid " " and resid 100 and name HD1%) (( segid " " and resid 78 and name HN )) 3.600 1.600 1.600 peak 975 spectrum 1 weight 0.10000E+01 volume 0.10282E-02 ppm1 0.637 ppm2 7.233 CV 1 ASSI { 976} ( segid " " and resid 100 and name HD1%) (( segid " " and resid 99 and name HN )) 3.500 1.500 1.500 peak 976 spectrum 1 weight 0.10000E+01 volume 0.10997E-02 ppm1 0.637 ppm2 7.906 CV 1 ASSI { 977} ( segid " " and resid 100 and name HD1%) (( segid " " and resid 101 and name HN )) 3.900 1.900 1.900 peak 977 spectrum 1 weight 0.10000E+01 volume 0.21864E-02 ppm1 0.637 ppm2 8.942 CV 1 ASSI { 980} (( segid " " and resid 6 and name HB2 )) (( segid " " and resid 6 and name HN )) 2.900 1.100 1.100 peak 980 spectrum 1 weight 0.10000E+01 volume 0.10199E-02 ppm1 2.249 ppm2 8.289 CV 1 ASSI { 981} (( segid " " and resid 6 and name HB3 )) (( segid " " and resid 6 and name HN )) 3.400 1.400 1.400 peak 981 spectrum 1 weight 0.10000E+01 volume 0.15152E-02 ppm1 1.680 ppm2 8.288 CV 1 ASSI { 983} (( segid " " and resid 6 and name HB3 )) (( segid " " and resid 7 and name HN )) 3.200 1.300 1.300 peak 983 spectrum 1 weight 0.10000E+01 volume 0.78803E-03 ppm1 1.680 ppm2 8.440 CV 1 ASSI { 986} (( segid " " and resid 101 and name HB2 )) (( segid " " and resid 101 and name HG2 )) 2.500 0.800 0.800 peak 986 spectrum 1 weight 0.10000E+01 volume 0.51184E-02 ppm1 1.792 ppm2 1.339 CV 1 OR { 986} (( segid " " and resid 101 and name HB2 )) (( segid " " and resid 101 and name HG3 )) ASSI { 987} (( segid " " and resid 101 and name HB3 )) (( segid " " and resid 101 and name HG3 )) 2.400 0.700 0.700 peak 987 spectrum 1 weight 0.10000E+01 volume 0.68070E-02 ppm1 1.724 ppm2 1.339 CV 1 OR { 987} (( segid " " and resid 101 and name HB3 )) (( segid " " and resid 101 and name HG2 )) ASSI { 988} (( segid " " and resid 101 and name HB3 )) (( segid " " and resid 101 and name HE3 )) 4.300 2.300 1.700 peak 988 spectrum 1 weight 0.10000E+01 volume 0.10378E-02 ppm1 1.724 ppm2 2.989 CV 1 OR { 988} (( segid " " and resid 101 and name HB3 )) (( segid " " and resid 101 and name HE2 )) ASSI { 989} (( segid " " and resid 101 and name HB2 )) (( segid " " and resid 101 and name HE3 )) 4.200 2.200 1.800 peak 989 spectrum 1 weight 0.10000E+01 volume 0.89531E-03 ppm1 1.792 ppm2 2.989 CV 1 OR { 989} (( segid " " and resid 101 and name HB2 )) (( segid " " and resid 101 and name HE2 )) ASSI { 992} (( segid " " and resid 101 and name HB2 )) (( segid " " and resid 101 and name HA )) 2.500 0.800 0.800 peak 992 spectrum 1 weight 0.10000E+01 volume 0.44426E-02 ppm1 1.792 ppm2 4.219 CV 1 ASSI { 993} (( segid " " and resid 101 and name HB3 )) (( segid " " and resid 101 and name HA )) 2.700 0.900 0.900 peak 993 spectrum 1 weight 0.10000E+01 volume 0.47585E-02 ppm1 1.724 ppm2 4.219 CV 1 ASSI { 1000} (( segid " " and resid 102 and name HB2 )) (( segid " " and resid 102 and name HA )) 2.700 0.900 0.900 peak 1000 spectrum 1 weight 0.10000E+01 volume 0.42423E-02 ppm1 2.937 ppm2 4.860 CV 1 ASSI { 1001} (( segid " " and resid 102 and name HB3 )) (( segid " " and resid 102 and name HA )) 2.500 0.800 0.800 peak 1001 spectrum 1 weight 0.10000E+01 volume 0.52792E-02 ppm1 2.766 ppm2 4.865 CV 1 ASSI { 1004} (( segid " " and resid 102 and name HB2 )) ( segid " " and resid 128 and name HD1%) 4.700 2.700 1.300 peak 1004 spectrum 1 weight 0.10000E+01 volume 0.62944E-03 ppm1 2.937 ppm2 1.089 CV 1 ASSI { 1005} (( segid " " and resid 102 and name HB2 )) ( segid " " and resid 125 and name HG1%) 4.600 2.700 1.400 peak 1005 spectrum 1 weight 0.10000E+01 volume 0.64558E-03 ppm1 2.937 ppm2 0.824 CV 1 ASSI { 1006} (( segid " " and resid 102 and name HB3 )) (( segid " " and resid 103 and name HG )) 4.100 2.100 1.900 peak 1006 spectrum 1 weight 0.10000E+01 volume 0.10443E-02 ppm1 2.766 ppm2 1.713 CV 1 OR { 1006} (( segid " " and resid 102 and name HB3 )) (( segid " " and resid 103 and name HB2 )) ASSI { 1008} (( segid " " and resid 102 and name HB3 )) ( segid " " and resid 128 and name HD1%) 4.300 2.300 1.700 peak 1008 spectrum 1 weight 0.10000E+01 volume 0.83152E-03 ppm1 2.766 ppm2 1.088 CV 1 ASSI { 1009} (( segid " " and resid 102 and name HB3 )) ( segid " " and resid 125 and name HG1%) 4.600 2.700 1.400 peak 1009 spectrum 1 weight 0.10000E+01 volume 0.65209E-03 ppm1 2.766 ppm2 0.830 CV 1 ASSI { 1011} (( segid " " and resid 102 and name HB3 )) (( segid " " and resid 102 and name HN )) 3.400 1.400 1.400 peak 1011 spectrum 1 weight 0.10000E+01 volume 0.16988E-02 ppm1 2.766 ppm2 7.365 CV 1 ASSI { 1013} (( segid " " and resid 102 and name HB3 )) (( segid " " and resid 103 and name HN )) 2.600 0.800 0.800 peak 1013 spectrum 1 weight 0.10000E+01 volume 0.33333E-02 ppm1 2.766 ppm2 8.448 CV 1 ASSI { 1018} (( segid " " and resid 103 and name HB2 )) (( segid " " and resid 103 and name HA )) 2.900 1.100 1.100 peak 1018 spectrum 1 weight 0.10000E+01 volume 0.27468E-02 ppm1 1.715 ppm2 3.969 CV 1 ASSI { 1019} (( segid " " and resid 103 and name HB3 )) (( segid " " and resid 103 and name HA )) 2.400 0.700 0.700 peak 1019 spectrum 1 weight 0.10000E+01 volume 0.31300E-02 ppm1 1.479 ppm2 3.969 CV 1 ASSI { 1020} (( segid " " and resid 103 and name HB2 )) ( segid " " and resid 103 and name HD1%) 2.500 0.800 0.800 peak 1020 spectrum 1 weight 0.10000E+01 volume 0.50347E-02 ppm1 1.715 ppm2 0.879 CV 1 ASSI { 1021} (( segid " " and resid 103 and name HB2 )) ( segid " " and resid 103 and name HD2%) 3.600 1.600 1.600 peak 1021 spectrum 1 weight 0.10000E+01 volume 0.26818E-02 ppm1 1.715 ppm2 0.710 CV 1 ASSI { 1023} (( segid " " and resid 103 and name HB3 )) ( segid " " and resid 103 and name HD2%) 2.700 0.900 0.900 peak 1023 spectrum 1 weight 0.10000E+01 volume 0.30531E-02 ppm1 1.479 ppm2 0.710 CV 1 ASSI { 1024} (( segid " " and resid 103 and name HB2 )) (( segid " " and resid 104 and name HN )) 3.000 1.100 1.100 peak 1024 spectrum 1 weight 0.10000E+01 volume 0.13197E-02 ppm1 1.715 ppm2 8.329 CV 1 ASSI { 1025} (( segid " " and resid 103 and name HB3 )) (( segid " " and resid 104 and name HN )) 4.100 2.100 1.900 peak 1025 spectrum 1 weight 0.10000E+01 volume 0.88043E-03 ppm1 1.479 ppm2 8.329 CV 1 ASSI { 1030} (( segid " " and resid 104 and name HB2 )) (( segid " " and resid 104 and name HA )) 2.200 0.600 0.600 peak 1030 spectrum 1 weight 0.10000E+01 volume 0.11093E-01 ppm1 3.928 ppm2 4.202 CV 1 OR { 1030} (( segid " " and resid 104 and name HB3 )) (( segid " " and resid 104 and name HA )) ASSI { 1033} (( segid " " and resid 105 and name HB )) (( segid " " and resid 105 and name HA )) 2.700 0.900 0.900 peak 1033 spectrum 1 weight 0.10000E+01 volume 0.37279E-02 ppm1 4.253 ppm2 4.010 CV 1 ASSI { 1038} (( segid " " and resid 106 and name HB )) (( segid " " and resid 106 and name HA )) 2.300 0.600 0.600 peak 1038 spectrum 1 weight 0.10000E+01 volume 0.47198E-02 ppm1 2.144 ppm2 4.323 CV 1 ASSI { 1041} (( segid " " and resid 106 and name HB )) (( segid " " and resid 106 and name HG12)) 2.800 0.900 0.900 peak 1041 spectrum 1 weight 0.10000E+01 volume 0.34787E-02 ppm1 2.144 ppm2 1.516 CV 1 ASSI { 1043} (( segid " " and resid 106 and name HB )) (( segid " " and resid 106 and name HG13)) 2.500 0.800 0.800 peak 1043 spectrum 1 weight 0.10000E+01 volume 0.21918E-02 ppm1 2.144 ppm2 1.253 CV 1 ASSI { 1047} (( segid " " and resid 106 and name HB )) (( segid " " and resid 107 and name HN )) 4.000 2.000 2.000 peak 1047 spectrum 1 weight 0.10000E+01 volume 0.70515E-03 ppm1 2.144 ppm2 7.488 CV 1 ASSI { 1048} (( segid " " and resid 106 and name HB )) (( segid " " and resid 109 and name HN )) 4.300 2.300 1.700 peak 1048 spectrum 1 weight 0.10000E+01 volume 0.62172E-03 ppm1 2.144 ppm2 8.109 CV 1 ASSI { 1053} ( segid " " and resid 106 and name HG2%) (( segid " " and resid 106 and name HG12)) 2.500 0.800 0.800 peak 1053 spectrum 1 weight 0.10000E+01 volume 0.39174E-02 ppm1 0.777 ppm2 1.514 CV 1 ASSI { 1055} ( segid " " and resid 106 and name HG2%) (( segid " " and resid 106 and name HB )) 2.000 0.500 0.500 peak 1055 spectrum 1 weight 0.10000E+01 volume 0.96566E-02 ppm1 0.777 ppm2 2.146 CV 1 ASSI { 1059} (( segid " " and resid 107 and name HB2 )) (( segid " " and resid 107 and name HA )) 2.400 0.700 0.700 peak 1059 spectrum 1 weight 0.10000E+01 volume 0.34352E-02 ppm1 2.235 ppm2 3.944 CV 1 ASSI { 1062} (( segid " " and resid 107 and name HG3 )) (( segid " " and resid 107 and name HA )) 2.300 0.700 0.700 peak 1062 spectrum 1 weight 0.10000E+01 volume 0.52337E-02 ppm1 2.298 ppm2 3.944 CV 1 ASSI { 1063} (( segid " " and resid 107 and name HG2 )) (( segid " " and resid 107 and name HA )) 3.000 1.100 1.100 peak 1063 spectrum 1 weight 0.10000E+01 volume 0.37112E-02 ppm1 2.430 ppm2 3.946 CV 1 ASSI { 1064} (( segid " " and resid 107 and name HG2 )) (( segid " " and resid 107 and name HN )) 3.900 1.900 1.900 peak 1064 spectrum 1 weight 0.10000E+01 volume 0.20970E-02 ppm1 2.430 ppm2 7.481 CV 1 ASSI { 1068} (( segid " " and resid 108 and name HB2 )) (( segid " " and resid 108 and name HA )) 2.800 1.000 1.000 peak 1068 spectrum 1 weight 0.10000E+01 volume 0.44593E-02 ppm1 2.393 ppm2 4.408 CV 1 ASSI { 1071} (( segid " " and resid 108 and name HB2 )) (( segid " " and resid 108 and name HD3 )) 4.200 2.200 1.800 peak 1071 spectrum 1 weight 0.10000E+01 volume 0.77310E-03 ppm1 2.393 ppm2 3.432 CV 1 ASSI { 1073} (( segid " " and resid 108 and name HB3 )) (( segid " " and resid 108 and name HD2 )) 4.100 2.100 1.900 peak 1073 spectrum 1 weight 0.10000E+01 volume 0.96861E-03 ppm1 1.162 ppm2 3.834 CV 1 ASSI { 1075} (( segid " " and resid 108 and name HB3 )) (( segid " " and resid 108 and name HA )) 2.400 0.800 0.800 peak 1075 spectrum 1 weight 0.10000E+01 volume 0.28850E-02 ppm1 1.162 ppm2 4.408 CV 1 ASSI { 1085} (( segid " " and resid 110 and name HB2 )) (( segid " " and resid 110 and name HA )) 2.400 0.700 0.700 peak 1085 spectrum 1 weight 0.10000E+01 volume 0.39389E-02 ppm1 1.999 ppm2 3.923 CV 1 ASSI { 1087} (( segid " " and resid 110 and name HB2 )) (( segid " " and resid 111 and name HN )) 3.800 1.800 1.800 peak 1087 spectrum 1 weight 0.10000E+01 volume 0.11677E-02 ppm1 1.999 ppm2 6.991 CV 1 ASSI { 1094} (( segid " " and resid 110 and name HG2 )) (( segid " " and resid 110 and name HA )) 3.700 1.700 1.700 peak 1094 spectrum 1 weight 0.10000E+01 volume 0.13334E-02 ppm1 1.726 ppm2 3.930 CV 1 ASSI { 1096} (( segid " " and resid 110 and name HG2 )) (( segid " " and resid 110 and name HN )) 2.600 0.800 0.800 peak 1096 spectrum 1 weight 0.10000E+01 volume 0.15749E-02 ppm1 1.727 ppm2 8.326 CV 1 ASSI { 1102} (( segid " " and resid 111 and name HB2 )) (( segid " " and resid 111 and name HA )) 2.700 0.900 0.900 peak 1102 spectrum 1 weight 0.10000E+01 volume 0.52181E-02 ppm1 2.073 ppm2 4.172 CV 1 ASSI { 1104} (( segid " " and resid 111 and name HB3 )) (( segid " " and resid 111 and name HA )) 2.500 0.800 0.800 peak 1104 spectrum 1 weight 0.10000E+01 volume 0.32486E-02 ppm1 1.620 ppm2 4.174 CV 1 ASSI { 1108} (( segid " " and resid 111 and name HG2 )) (( segid " " and resid 111 and name HA )) 2.600 0.900 0.900 peak 1108 spectrum 1 weight 0.10000E+01 volume 0.27658E-02 ppm1 1.542 ppm2 4.168 CV 1 ASSI { 1109} (( segid " " and resid 111 and name HG3 )) (( segid " " and resid 111 and name HA )) 3.000 1.100 1.100 peak 1109 spectrum 1 weight 0.10000E+01 volume 0.37547E-02 ppm1 1.423 ppm2 4.168 CV 1 ASSI { 1110} (( segid " " and resid 61 and name HG2 )) (( segid " " and resid 60 and name HA )) 4.600 2.600 1.400 peak 1110 spectrum 1 weight 0.10000E+01 volume 0.88458E-03 ppm1 1.542 ppm2 3.984 CV 1 ASSI { 1113} (( segid " " and resid 111 and name HG2 )) (( segid " " and resid 111 and name HE2 )) 3.100 1.200 1.200 peak 1113 spectrum 1 weight 0.10000E+01 volume 0.19969E-02 ppm1 1.542 ppm2 2.994 CV 1 OR { 1113} (( segid " " and resid 111 and name HG2 )) (( segid " " and resid 111 and name HE3 )) ASSI { 1114} (( segid " " and resid 111 and name HG3 )) (( segid " " and resid 111 and name HE3 )) 3.200 1.300 1.300 peak 1114 spectrum 1 weight 0.10000E+01 volume 0.20481E-02 ppm1 1.424 ppm2 2.996 CV 1 OR { 1114} (( segid " " and resid 111 and name HG3 )) (( segid " " and resid 111 and name HE2 )) ASSI { 1117} (( segid " " and resid 61 and name HG3 )) (( segid " " and resid 60 and name HA )) 4.400 2.500 1.600 peak 1117 spectrum 1 weight 0.10000E+01 volume 0.75641E-03 ppm1 1.423 ppm2 3.984 CV 1 ASSI { 1121} (( segid " " and resid 111 and name HD3 )) (( segid " " and resid 111 and name HN )) 3.700 1.700 1.700 peak 1121 spectrum 1 weight 0.10000E+01 volume 0.24940E-02 ppm1 1.698 ppm2 6.985 CV 1 OR { 1121} (( segid " " and resid 111 and name HD2 )) (( segid " " and resid 111 and name HN )) ASSI { 1122} (( segid " " and resid 111 and name HD2 )) (( segid " " and resid 111 and name HA )) 3.500 1.500 1.500 peak 1122 spectrum 1 weight 0.10000E+01 volume 0.39228E-02 ppm1 1.698 ppm2 4.174 CV 1 OR { 1122} (( segid " " and resid 111 and name HD3 )) (( segid " " and resid 111 and name HA )) ASSI { 1125} (( segid " " and resid 112 and name HB2 )) (( segid " " and resid 112 and name HA )) 3.400 1.500 1.500 peak 1125 spectrum 1 weight 0.10000E+01 volume 0.96686E-03 ppm1 2.022 ppm2 4.601 CV 1 ASSI { 1126} (( segid " " and resid 112 and name HB3 )) (( segid " " and resid 112 and name HA )) 2.800 1.000 1.000 peak 1126 spectrum 1 weight 0.10000E+01 volume 0.13388E-02 ppm1 1.766 ppm2 4.601 CV 1 ASSI { 1132} ( segid " " and resid 112 and name HD1%) (( segid " " and resid 112 and name HG )) 2.100 0.500 0.500 peak 1132 spectrum 1 weight 0.10000E+01 volume 0.97934E-02 ppm1 0.947 ppm2 1.510 CV 1 ASSI { 1138} (( segid " " and resid 113 and name HB3 )) (( segid " " and resid 113 and name HA )) 2.600 0.800 0.800 peak 1138 spectrum 1 weight 0.10000E+01 volume 0.39121E-02 ppm1 1.938 ppm2 3.867 CV 1 ASSI { 1143} (( segid " " and resid 113 and name HG2 )) (( segid " " and resid 113 and name HA )) 3.400 1.400 1.400 peak 1143 spectrum 1 weight 0.10000E+01 volume 0.27933E-02 ppm1 2.359 ppm2 3.861 CV 1 ASSI { 1144} (( segid " " and resid 113 and name HG3 )) (( segid " " and resid 113 and name HA )) 3.400 1.500 1.500 peak 1144 spectrum 1 weight 0.10000E+01 volume 0.32564E-02 ppm1 2.257 ppm2 3.861 CV 1 ASSI { 1146} (( segid " " and resid 113 and name HB3 )) (( segid " " and resid 113 and name HN )) 2.700 0.900 0.900 peak 1146 spectrum 1 weight 0.10000E+01 volume 0.38250E-02 ppm1 1.938 ppm2 8.557 CV 1 ASSI { 1148} (( segid " " and resid 113 and name HG3 )) (( segid " " and resid 113 and name HN )) 3.100 1.200 1.200 peak 1148 spectrum 1 weight 0.10000E+01 volume 0.39932E-02 ppm1 2.257 ppm2 8.551 CV 1 ASSI { 1151} (( segid " " and resid 114 and name HB2 )) (( segid " " and resid 114 and name HA )) 2.800 1.000 1.000 peak 1151 spectrum 1 weight 0.10000E+01 volume 0.53790E-02 ppm1 2.840 ppm2 4.847 CV 1 ASSI { 1152} (( segid " " and resid 114 and name HB3 )) (( segid " " and resid 114 and name HA )) 2.600 0.900 0.900 peak 1152 spectrum 1 weight 0.10000E+01 volume 0.38525E-02 ppm1 2.513 ppm2 4.847 CV 1 ASSI { 1153} (( segid " " and resid 114 and name HB2 )) (( segid " " and resid 114 and name HN )) 2.600 0.900 0.900 peak 1153 spectrum 1 weight 0.10000E+01 volume 0.26359E-02 ppm1 2.840 ppm2 9.009 CV 1 ASSI { 1157} (( segid " " and resid 115 and name HB3 )) (( segid " " and resid 115 and name HA )) 2.800 1.000 1.000 peak 1157 spectrum 1 weight 0.10000E+01 volume 0.99843E-03 ppm1 1.354 ppm2 4.128 CV 1 ASSI { 1162} ( segid " " and resid 115 and name HD2%) (( segid " " and resid 115 and name HA )) 2.200 0.600 0.600 peak 1162 spectrum 1 weight 0.10000E+01 volume 0.71648E-02 ppm1 0.788 ppm2 4.127 CV 1 ASSI { 1169} (( segid " " and resid 117 and name HB2 )) (( segid " " and resid 117 and name HA )) 3.100 1.200 1.200 peak 1169 spectrum 1 weight 0.10000E+01 volume 0.21024E-02 ppm1 3.731 ppm2 5.803 CV 1 ASSI { 1173} (( segid " " and resid 117 and name HB2 )) (( segid " " and resid 92 and name HA )) 3.300 3.300 2.700 peak 1173 spectrum 1 weight 0.10000E+01 volume 0.90368E-03 ppm1 3.731 ppm2 5.666 CV 1 ASSI { 1174} (( segid " " and resid 117 and name HB3 )) (( segid " " and resid 92 and name HA )) 4.100 2.100 1.900 peak 1174 spectrum 1 weight 0.10000E+01 volume 0.73737E-03 ppm1 3.630 ppm2 5.666 CV 1 ASSI { 1178} (( segid " " and resid 117 and name HA )) (( segid " " and resid 144 and name HB2 )) 3.000 1.100 1.100 peak 1178 spectrum 1 weight 0.10000E+01 volume 0.14211E-02 ppm1 5.807 ppm2 2.820 CV 1 ASSI { 1179} (( segid " " and resid 117 and name HA )) (( segid " " and resid 144 and name HB3 )) 4.200 2.200 1.800 peak 1179 spectrum 1 weight 0.10000E+01 volume 0.11540E-02 ppm1 5.807 ppm2 2.611 CV 1 ASSI { 1181} (( segid " " and resid 117 and name HA )) (( segid " " and resid 117 and name HB3 )) 2.700 0.900 0.900 peak 1181 spectrum 1 weight 0.10000E+01 volume 0.22621E-02 ppm1 5.807 ppm2 3.633 CV 1 ASSI { 1184} (( segid " " and resid 117 and name HA )) (( segid " " and resid 117 and name HN )) 3.000 1.100 1.100 peak 1184 spectrum 1 weight 0.10000E+01 volume 0.12989E-02 ppm1 5.807 ppm2 8.307 CV 1 ASSI { 1188} (( segid " " and resid 118 and name HB2 )) (( segid " " and resid 118 and name HA )) 2.900 1.100 1.100 peak 1188 spectrum 1 weight 0.10000E+01 volume 0.13966E-02 ppm1 1.667 ppm2 5.399 CV 1 ASSI { 1197} (( segid " " and resid 119 and name HB3 )) (( segid " " and resid 119 and name HA )) 3.200 1.200 1.200 peak 1197 spectrum 1 weight 0.10000E+01 volume 0.15152E-02 ppm1 2.665 ppm2 5.662 CV 1 ASSI { 1199} (( segid " " and resid 119 and name HB2 )) ( segid " " and resid 121 and name HD% ) 4.000 2.000 2.000 peak 1199 spectrum 1 weight 0.10000E+01 volume 0.66582E-03 ppm1 2.819 ppm2 7.443 CV 1 OR { 1199} (( segid " " and resid 119 and name HB2 )) ( segid " " and resid 121 and name HE% ) ASSI { 1200} (( segid " " and resid 119 and name HB3 )) ( segid " " and resid 121 and name HD% ) 3.400 1.400 1.400 peak 1200 spectrum 1 weight 0.10000E+01 volume 0.11081E-02 ppm1 2.665 ppm2 7.443 CV 1 OR { 1200} (( segid " " and resid 119 and name HB3 )) ( segid " " and resid 121 and name HE% ) ASSI { 1201} (( segid " " and resid 119 and name HB3 )) (( segid " " and resid 119 and name HN )) 3.500 1.500 1.500 peak 1201 spectrum 1 weight 0.10000E+01 volume 0.11135E-02 ppm1 2.666 ppm2 8.194 CV 1 ASSI { 1202} (( segid " " and resid 119 and name HB3 )) (( segid " " and resid 95 and name HN )) 3.500 1.600 1.600 peak 1202 spectrum 1 weight 0.10000E+01 volume 0.88995E-03 ppm1 2.666 ppm2 8.935 CV 1 ASSI { 1204} (( segid " " and resid 119 and name HB2 )) (( segid " " and resid 95 and name HN )) 4.200 2.200 1.800 peak 1204 spectrum 1 weight 0.10000E+01 volume 0.81960E-03 ppm1 2.819 ppm2 8.934 CV 1 ASSI { 1207} (( segid " " and resid 120 and name HB2 )) (( segid " " and resid 120 and name HA )) 3.400 1.500 1.500 peak 1207 spectrum 1 weight 0.10000E+01 volume 0.13602E-02 ppm1 2.206 ppm2 4.258 CV 1 ASSI { 1208} (( segid " " and resid 120 and name HB3 )) (( segid " " and resid 120 and name HA )) 2.800 1.000 1.000 peak 1208 spectrum 1 weight 0.10000E+01 volume 0.15117E-02 ppm1 1.428 ppm2 4.253 CV 1 ASSI { 1213} (( segid " " and resid 121 and name HB2 )) (( segid " " and resid 96 and name HB3 )) 3.500 1.500 1.500 peak 1213 spectrum 1 weight 0.10000E+01 volume 0.89651E-03 ppm1 3.142 ppm2 3.814 CV 1 ASSI { 1214} (( segid " " and resid 121 and name HB3 )) (( segid " " and resid 96 and name HB3 )) 4.200 2.200 1.800 peak 1214 spectrum 1 weight 0.10000E+01 volume 0.75466E-03 ppm1 3.045 ppm2 3.808 CV 1 ASSI { 1215} (( segid " " and resid 121 and name HB2 )) (( segid " " and resid 121 and name HA )) 3.000 1.100 1.100 peak 1215 spectrum 1 weight 0.10000E+01 volume 0.26281E-02 ppm1 3.142 ppm2 4.211 CV 1 ASSI { 1216} (( segid " " and resid 121 and name HB3 )) (( segid " " and resid 121 and name HA )) 2.600 0.900 0.900 peak 1216 spectrum 1 weight 0.10000E+01 volume 0.31604E-02 ppm1 3.045 ppm2 4.211 CV 1 ASSI { 1217} (( segid " " and resid 121 and name HB3 )) (( segid " " and resid 96 and name HB2 )) 3.700 1.700 1.700 peak 1217 spectrum 1 weight 0.10000E+01 volume 0.12297E-02 ppm1 3.045 ppm2 3.944 CV 1 ASSI { 1218} (( segid " " and resid 121 and name HB2 )) (( segid " " and resid 96 and name HB2 )) 3.200 1.300 1.300 peak 1218 spectrum 1 weight 0.10000E+01 volume 0.12047E-02 ppm1 3.142 ppm2 3.944 CV 1 ASSI { 1223} (( segid " " and resid 121 and name HB3 )) (( segid " " and resid 122 and name HN )) 3.800 1.800 1.800 peak 1223 spectrum 1 weight 0.10000E+01 volume 0.12392E-02 ppm1 3.046 ppm2 9.254 CV 1 ASSI { 1224} (( segid " " and resid 121 and name HB2 )) (( segid " " and resid 122 and name HN )) 4.200 2.200 1.800 peak 1224 spectrum 1 weight 0.10000E+01 volume 0.98054E-03 ppm1 3.144 ppm2 9.254 CV 1 ASSI { 1227} (( segid " " and resid 122 and name HB3 )) (( segid " " and resid 122 and name HA )) 2.500 0.800 0.800 peak 1227 spectrum 1 weight 0.10000E+01 volume 0.69563E-02 ppm1 3.074 ppm2 4.260 CV 1 OR { 1227} (( segid " " and resid 122 and name HB2 )) (( segid " " and resid 122 and name HA )) ASSI { 1232} (( segid " " and resid 123 and name HB2 )) (( segid " " and resid 123 and name HA )) 3.000 1.100 1.100 peak 1232 spectrum 1 weight 0.10000E+01 volume 0.17203E-02 ppm1 3.610 ppm2 4.719 CV 1 ASSI { 1233} (( segid " " and resid 123 and name HB3 )) (( segid " " and resid 123 and name HA )) 3.000 1.100 1.100 peak 1233 spectrum 1 weight 0.10000E+01 volume 0.18532E-02 ppm1 3.081 ppm2 4.726 CV 1 ASSI { 1237} (( segid " " and resid 124 and name HB2 )) (( segid " " and resid 124 and name HA )) 2.400 0.700 0.700 peak 1237 spectrum 1 weight 0.10000E+01 volume 0.69263E-02 ppm1 2.025 ppm2 4.220 CV 1 OR { 1237} (( segid " " and resid 124 and name HB3 )) (( segid " " and resid 124 and name HA )) ASSI { 1240} (( segid " " and resid 125 and name HB )) (( segid " " and resid 125 and name HA )) 2.400 0.700 0.700 peak 1240 spectrum 1 weight 0.10000E+01 volume 0.38900E-02 ppm1 1.622 ppm2 3.817 CV 1 ASSI { 1245} ( segid " " and resid 125 and name HG1%) (( segid " " and resid 125 and name HB )) 2.100 0.500 0.500 peak 1245 spectrum 1 weight 0.10000E+01 volume 0.86489E-02 ppm1 0.822 ppm2 1.625 CV 1 ASSI { 1246} ( segid " " and resid 125 and name HG1%) (( segid " " and resid 125 and name HA )) 2.200 0.600 0.600 peak 1246 spectrum 1 weight 0.10000E+01 volume 0.79635E-02 ppm1 0.822 ppm2 3.816 CV 1 ASSI { 1248} (( segid " " and resid 126 and name HA )) (( segid " " and resid 126 and name HB )) 2.500 0.800 0.800 peak 1248 spectrum 1 weight 0.10000E+01 volume 0.51410E-02 ppm1 2.412 ppm2 3.725 CV 1 ASSI { 1252} ( segid " " and resid 126 and name HG2%) (( segid " " and resid 126 and name HA )) 2.500 0.800 0.800 peak 1252 spectrum 1 weight 0.10000E+01 volume 0.77610E-02 ppm1 0.972 ppm2 2.416 CV 1 ASSI { 1253} ( segid " " and resid 126 and name HG2%) (( segid " " and resid 126 and name HB )) 2.200 0.600 0.600 peak 1253 spectrum 1 weight 0.10000E+01 volume 0.11170E-01 ppm1 0.972 ppm2 3.731 CV 1 ASSI { 1256} (( segid " " and resid 127 and name HB2 )) (( segid " " and resid 127 and name HA )) 3.000 1.100 1.100 peak 1256 spectrum 1 weight 0.10000E+01 volume 0.44754E-02 ppm1 2.926 ppm2 4.690 CV 1 ASSI { 1257} (( segid " " and resid 127 and name HB3 )) (( segid " " and resid 127 and name HA )) 2.600 0.900 0.900 peak 1257 spectrum 1 weight 0.10000E+01 volume 0.40688E-02 ppm1 2.747 ppm2 4.690 CV 1 ASSI { 1259} (( segid " " and resid 127 and name HB2 )) (( segid " " and resid 127 and name HN )) 2.700 0.900 0.900 peak 1259 spectrum 1 weight 0.10000E+01 volume 0.31378E-02 ppm1 2.926 ppm2 7.643 CV 1 ASSI { 1275} (( segid " " and resid 129 and name HB2 )) (( segid " " and resid 129 and name HA )) 2.600 0.900 0.900 peak 1275 spectrum 1 weight 0.10000E+01 volume 0.47138E-02 ppm1 2.795 ppm2 4.423 CV 1 ASSI { 1276} (( segid " " and resid 129 and name HB3 )) (( segid " " and resid 129 and name HA )) 2.600 0.900 0.900 peak 1276 spectrum 1 weight 0.10000E+01 volume 0.46542E-02 ppm1 2.668 ppm2 4.423 CV 1 ASSI { 1281} ( segid " " and resid 130 and name HB% ) (( segid " " and resid 130 and name HA )) 2.100 0.600 0.600 peak 1281 spectrum 1 weight 0.10000E+01 volume 0.15302E-01 ppm1 1.349 ppm2 4.181 CV 1 ASSI { 1282} ( segid " " and resid 130 and name HB% ) (( segid " " and resid 130 and name HN )) 3.000 1.100 1.100 peak 1282 spectrum 1 weight 0.10000E+01 volume 0.41720E-02 ppm1 1.349 ppm2 8.976 CV 1 ASSI { 1288} (( segid " " and resid 131 and name HA )) (( segid " " and resid 131 and name HB3 )) 2.600 0.800 0.800 peak 1288 spectrum 1 weight 0.10000E+01 volume 0.30382E-02 ppm1 4.064 ppm2 2.674 CV 1 ASSI { 1300} (( segid " " and resid 133 and name HB2 )) (( segid " " and resid 133 and name HA )) 2.800 1.000 1.000 peak 1300 spectrum 1 weight 0.10000E+01 volume 0.43615E-02 ppm1 2.076 ppm2 3.978 CV 1 ASSI { 1301} (( segid " " and resid 133 and name HB3 )) (( segid " " and resid 133 and name HA )) 2.400 0.700 0.700 peak 1301 spectrum 1 weight 0.10000E+01 volume 0.45189E-02 ppm1 1.940 ppm2 3.978 CV 1 ASSI { 1304} (( segid " " and resid 133 and name HB3 )) (( segid " " and resid 133 and name HN )) 3.100 1.200 1.200 peak 1304 spectrum 1 weight 0.10000E+01 volume 0.50267E-02 ppm1 1.940 ppm2 8.193 CV 1 ASSI { 1308} (( segid " " and resid 133 and name HG2 )) (( segid " " and resid 133 and name HN )) 2.500 0.800 0.800 peak 1308 spectrum 1 weight 0.10000E+01 volume 0.52873E-02 ppm1 2.275 ppm2 8.192 CV 1 OR { 1308} (( segid " " and resid 133 and name HG3 )) (( segid " " and resid 133 and name HN )) ASSI { 1309} (( segid " " and resid 133 and name HG2 )) (( segid " " and resid 134 and name HN )) 3.600 1.600 1.600 peak 1309 spectrum 1 weight 0.10000E+01 volume 0.27968E-02 ppm1 2.275 ppm2 8.608 CV 1 OR { 1309} (( segid " " and resid 133 and name HG3 )) (( segid " " and resid 134 and name HN )) ASSI { 1315} ( segid " " and resid 135 and name HG2%) (( segid " " and resid 135 and name HA )) 2.500 0.800 0.800 peak 1315 spectrum 1 weight 0.10000E+01 volume 0.59787E-02 ppm1 0.442 ppm2 3.337 CV 1 ASSI { 1321} (( segid " " and resid 136 and name HB2 )) (( segid " " and resid 136 and name HA )) 3.400 1.500 1.500 peak 1321 spectrum 1 weight 0.10000E+01 volume 0.16529E-02 ppm1 2.954 ppm2 4.271 CV 1 ASSI { 1322} (( segid " " and resid 136 and name HB3 )) (( segid " " and resid 136 and name HA )) 3.000 1.100 1.100 peak 1322 spectrum 1 weight 0.10000E+01 volume 0.16052E-02 ppm1 2.856 ppm2 4.271 CV 1 ASSI { 1328} (( segid " " and resid 138 and name HB2 )) (( segid " " and resid 138 and name HA )) 2.600 0.900 0.900 peak 1328 spectrum 1 weight 0.10000E+01 volume 0.29232E-02 ppm1 1.781 ppm2 4.082 CV 1 ASSI { 1329} (( segid " " and resid 138 and name HB3 )) (( segid " " and resid 138 and name HA )) 2.900 1.100 1.100 peak 1329 spectrum 1 weight 0.10000E+01 volume 0.37875E-02 ppm1 1.675 ppm2 4.083 CV 1 ASSI { 1334} (( segid " " and resid 139 and name HB2 )) (( segid " " and resid 139 and name HA )) 3.300 1.400 1.400 peak 1334 spectrum 1 weight 0.10000E+01 volume 0.11594E-02 ppm1 1.908 ppm2 4.887 CV 1 ASSI { 1335} (( segid " " and resid 139 and name HB3 )) (( segid " " and resid 139 and name HA )) 2.700 0.900 0.900 peak 1335 spectrum 1 weight 0.10000E+01 volume 0.14902E-02 ppm1 1.009 ppm2 4.887 CV 1 ASSI { 1338} (( segid " " and resid 140 and name HD2 )) (( segid " " and resid 139 and name HA )) 2.100 0.500 0.500 peak 1338 spectrum 1 weight 0.10000E+01 volume 0.57703E-02 ppm1 3.770 ppm2 4.890 CV 1 ASSI { 1339} (( segid " " and resid 140 and name HD3 )) (( segid " " and resid 139 and name HA )) 2.700 0.900 0.900 peak 1339 spectrum 1 weight 0.10000E+01 volume 0.45457E-02 ppm1 3.467 ppm2 4.892 CV 1 ASSI { 1340} (( segid " " and resid 139 and name HB2 )) (( segid " " and resid 139 and name HN )) 2.700 0.900 0.900 peak 1340 spectrum 1 weight 0.10000E+01 volume 0.16625E-02 ppm1 1.908 ppm2 7.916 CV 1 ASSI { 1345} (( segid " " and resid 140 and name HB2 )) (( segid " " and resid 140 and name HA )) 2.700 0.900 0.900 peak 1345 spectrum 1 weight 0.10000E+01 volume 0.55243E-02 ppm1 2.323 ppm2 4.413 CV 1 ASSI { 1346} (( segid " " and resid 140 and name HB3 )) (( segid " " and resid 140 and name HA )) 2.500 0.800 0.800 peak 1346 spectrum 1 weight 0.10000E+01 volume 0.43615E-02 ppm1 1.961 ppm2 4.415 CV 1 ASSI { 1350} (( segid " " and resid 141 and name HB2 )) (( segid " " and resid 141 and name HA )) 2.800 1.000 1.000 peak 1350 spectrum 1 weight 0.10000E+01 volume 0.41016E-02 ppm1 2.213 ppm2 4.294 CV 1 ASSI { 1351} (( segid " " and resid 141 and name HB3 )) (( segid " " and resid 141 and name HA )) 2.500 0.800 0.800 peak 1351 spectrum 1 weight 0.10000E+01 volume 0.41881E-02 ppm1 1.908 ppm2 4.294 CV 1 ASSI { 1355} (( segid " " and resid 142 and name HB )) (( segid " " and resid 142 and name HA )) 2.800 1.000 1.000 peak 1355 spectrum 1 weight 0.10000E+01 volume 0.16821E-02 ppm1 2.165 ppm2 3.841 CV 1 ASSI { 1356} (( segid " " and resid 142 and name HB )) (( segid " " and resid 142 and name HN )) 2.700 0.900 0.900 peak 1356 spectrum 1 weight 0.10000E+01 volume 0.67058E-02 ppm1 2.165 ppm2 7.533 CV 1 ASSI { 1358} ( segid " " and resid 142 and name HG2%) (( segid " " and resid 142 and name HB )) 2.200 0.600 0.600 peak 1358 spectrum 1 weight 0.10000E+01 volume 0.10652E-01 ppm1 0.725 ppm2 2.180 CV 1 ASSI { 1359} ( segid " " and resid 142 and name HG2%) (( segid " " and resid 142 and name HA )) 2.800 1.000 1.000 peak 1359 spectrum 1 weight 0.10000E+01 volume 0.56395E-02 ppm1 0.725 ppm2 3.844 CV 1 ASSI { 1361} ( segid " " and resid 142 and name HG1%) (( segid " " and resid 142 and name HB )) 2.200 0.600 0.600 peak 1361 spectrum 1 weight 0.10000E+01 volume 0.10252E-01 ppm1 0.751 ppm2 2.167 CV 1 ASSI { 1362} ( segid " " and resid 142 and name HG1%) (( segid " " and resid 142 and name HA )) 2.300 0.700 0.700 peak 1362 spectrum 1 weight 0.10000E+01 volume 0.71292E-02 ppm1 0.751 ppm2 3.848 CV 1 ASSI { 1363} ( segid " " and resid 142 and name HG1%) (( segid " " and resid 142 and name HN )) 2.300 0.700 0.700 peak 1363 spectrum 1 weight 0.10000E+01 volume 0.73912E-02 ppm1 0.751 ppm2 7.535 CV 1 ASSI { 1372} ( segid " " and resid 145 and name HD2%) (( segid " " and resid 145 and name HA )) 2.300 0.700 0.700 peak 1372 spectrum 1 weight 0.10000E+01 volume 0.57623E-02 ppm1 0.696 ppm2 5.570 CV 1 ASSI { 1375} (( segid " " and resid 151 and name HB2 )) (( segid " " and resid 151 and name HA )) 2.900 1.100 1.100 peak 1375 spectrum 1 weight 0.10000E+01 volume 0.46864E-02 ppm1 2.893 ppm2 4.802 CV 1 ASSI { 1376} (( segid " " and resid 151 and name HB3 )) (( segid " " and resid 151 and name HA )) 2.700 0.900 0.900 peak 1376 spectrum 1 weight 0.10000E+01 volume 0.36301E-02 ppm1 2.539 ppm2 4.803 CV 1 ASSI { 1379} (( segid " " and resid 143 and name HB2 )) (( segid " " and resid 143 and name HA )) 3.000 1.100 1.100 peak 1379 spectrum 1 weight 0.10000E+01 volume 0.25476E-02 ppm1 1.706 ppm2 4.357 CV 1 ASSI { 1380} (( segid " " and resid 143 and name HB3 )) (( segid " " and resid 143 and name HA )) 2.800 1.000 1.000 peak 1380 spectrum 1 weight 0.10000E+01 volume 0.28195E-02 ppm1 1.433 ppm2 4.356 CV 1 ASSI { 1384} (( segid " " and resid 143 and name HG3 )) (( segid " " and resid 143 and name HA )) 3.200 1.300 1.300 peak 1384 spectrum 1 weight 0.10000E+01 volume 0.24099E-02 ppm1 2.141 ppm2 4.359 CV 1 ASSI { 1385} (( segid " " and resid 143 and name HG2 )) (( segid " " and resid 143 and name HA )) 2.800 1.000 1.000 peak 1385 spectrum 1 weight 0.10000E+01 volume 0.36623E-02 ppm1 2.386 ppm2 4.359 CV 1 ASSI { 1389} (( segid " " and resid 163 and name HB3 )) (( segid " " and resid 163 and name HA )) 2.600 0.800 0.800 peak 1389 spectrum 1 weight 0.10000E+01 volume 0.43400E-02 ppm1 2.916 ppm2 4.549 CV 1 ASSI { 1397} (( segid " " and resid 144 and name HB2 )) (( segid " " and resid 144 and name HA )) 3.600 1.600 1.600 peak 1397 spectrum 1 weight 0.10000E+01 volume 0.11308E-02 ppm1 2.826 ppm2 4.818 CV 1 ASSI { 1398} (( segid " " and resid 144 and name HB3 )) (( segid " " and resid 144 and name HA )) 2.800 1.000 1.000 peak 1398 spectrum 1 weight 0.10000E+01 volume 0.16494E-02 ppm1 2.606 ppm2 4.818 CV 1 ASSI { 1401} (( segid " " and resid 144 and name HB2 )) (( segid " " and resid 144 and name HN )) 3.000 1.100 1.100 peak 1401 spectrum 1 weight 0.10000E+01 volume 0.12238E-02 ppm1 2.826 ppm2 8.154 CV 1 ASSI { 1404} (( segid " " and resid 144 and name HB3 )) (( segid " " and resid 144 and name HN )) 4.200 2.200 1.800 peak 1404 spectrum 1 weight 0.10000E+01 volume 0.10187E-02 ppm1 2.606 ppm2 8.154 CV 1 ASSI { 1419} (( segid " " and resid 150 and name HA )) (( segid " " and resid 150 and name HD2 )) 4.400 2.400 1.600 peak 1419 spectrum 1 weight 0.10000E+01 volume 0.11820E-02 ppm1 3.532 ppm2 2.723 CV 1 OR { 1419} (( segid " " and resid 150 and name HA )) (( segid " " and resid 150 and name HD3 )) ASSI { 1420} (( segid " " and resid 150 and name HA )) (( segid " " and resid 150 and name HB2 )) 3.000 1.100 1.100 peak 1420 spectrum 1 weight 0.10000E+01 volume 0.33101E-02 ppm1 3.532 ppm2 1.327 CV 1 ASSI { 1421} (( segid " " and resid 150 and name HA )) (( segid " " and resid 150 and name HB3 )) 2.700 0.900 0.900 peak 1421 spectrum 1 weight 0.10000E+01 volume 0.24862E-02 ppm1 3.532 ppm2 1.074 CV 1 ASSI { 1422} (( segid " " and resid 150 and name HA )) (( segid " " and resid 150 and name HG2 )) 2.800 1.000 1.000 peak 1422 spectrum 1 weight 0.10000E+01 volume 0.23461E-02 ppm1 3.532 ppm2 0.478 CV 1 ASSI { 1423} (( segid " " and resid 150 and name HA )) (( segid " " and resid 150 and name HG3 )) 3.200 1.300 1.300 peak 1423 spectrum 1 weight 0.10000E+01 volume 0.25935E-02 ppm1 3.532 ppm2 0.364 CV 1 ASSI { 1428} (( segid " " and resid 150 and name HG3 )) (( segid " " and resid 150 and name HD3 )) 2.900 1.100 1.100 peak 1428 spectrum 1 weight 0.10000E+01 volume 0.17012E-02 ppm1 0.360 ppm2 2.724 CV 1 OR { 1428} (( segid " " and resid 150 and name HG3 )) (( segid " " and resid 150 and name HD2 )) ASSI { 1429} (( segid " " and resid 150 and name HG2 )) (( segid " " and resid 150 and name HD2 )) 3.100 1.200 1.200 peak 1429 spectrum 1 weight 0.10000E+01 volume 0.14580E-02 ppm1 0.482 ppm2 2.724 CV 1 OR { 1429} (( segid " " and resid 150 and name HG2 )) (( segid " " and resid 150 and name HD3 )) ASSI { 1438} (( segid " " and resid 150 and name HD2 )) (( segid " " and resid 150 and name HB2 )) 3.200 1.300 1.300 peak 1438 spectrum 1 weight 0.10000E+01 volume 0.10729E-02 ppm1 2.737 ppm2 1.324 CV 1 ASSI { 1439} (( segid " " and resid 150 and name HD3 )) (( segid " " and resid 150 and name HB2 )) 3.300 1.400 1.400 peak 1439 spectrum 1 weight 0.10000E+01 volume 0.15420E-02 ppm1 2.707 ppm2 1.327 CV 1 ASSI { 1440} (( segid " " and resid 150 and name HD3 )) (( segid " " and resid 150 and name HB3 )) 2.900 1.100 1.100 peak 1440 spectrum 1 weight 0.10000E+01 volume 0.13925E-02 ppm1 2.707 ppm2 1.077 CV 1 ASSI { 1441} (( segid " " and resid 150 and name HD2 )) (( segid " " and resid 150 and name HB3 )) 3.500 1.500 1.500 peak 1441 spectrum 1 weight 0.10000E+01 volume 0.14961E-02 ppm1 2.737 ppm2 1.076 CV 1 ASSI { 1442} (( segid " " and resid 150 and name HD2 )) (( segid " " and resid 150 and name HG2 )) 3.400 1.400 1.400 peak 1442 spectrum 1 weight 0.10000E+01 volume 0.13388E-02 ppm1 2.737 ppm2 0.483 CV 1 ASSI { 1443} (( segid " " and resid 150 and name HD2 )) (( segid " " and resid 150 and name HG3 )) 2.800 1.000 1.000 peak 1443 spectrum 1 weight 0.10000E+01 volume 0.15534E-02 ppm1 2.737 ppm2 0.362 CV 1 ASSI { 1444} (( segid " " and resid 150 and name HD3 )) (( segid " " and resid 150 and name HG2 )) 2.900 1.100 1.100 peak 1444 spectrum 1 weight 0.10000E+01 volume 0.13656E-02 ppm1 2.707 ppm2 0.482 CV 1 ASSI { 1445} (( segid " " and resid 150 and name HD3 )) (( segid " " and resid 150 and name HG3 )) 3.300 1.400 1.400 peak 1445 spectrum 1 weight 0.10000E+01 volume 0.15552E-02 ppm1 2.707 ppm2 0.361 CV 1 ASSI { 1447} (( segid " " and resid 150 and name HD3 )) (( segid " " and resid 150 and name HE )) 3.000 1.100 1.100 peak 1447 spectrum 1 weight 0.10000E+01 volume 0.20314E-02 ppm1 2.707 ppm2 7.088 CV 1 ASSI { 1450} (( segid " " and resid 152 and name HB2 )) (( segid " " and resid 152 and name HA )) 2.700 0.900 0.900 peak 1450 spectrum 1 weight 0.10000E+01 volume 0.39932E-02 ppm1 3.042 ppm2 4.343 CV 1 ASSI { 1454} (( segid " " and resid 152 and name HB3 )) (( segid " " and resid 152 and name HD21)) 2.900 1.100 1.100 peak 1454 spectrum 1 weight 0.10000E+01 volume 0.21697E-02 ppm1 2.955 ppm2 7.446 CV 1 ASSI { 1455} (( segid " " and resid 152 and name HB3 )) (( segid " " and resid 152 and name HD22)) 4.200 2.200 1.800 peak 1455 spectrum 1 weight 0.10000E+01 volume 0.12279E-02 ppm1 2.954 ppm2 6.719 CV 1 ASSI { 1456} (( segid " " and resid 152 and name HB2 )) (( segid " " and resid 152 and name HD21)) 3.000 1.100 1.100 peak 1456 spectrum 1 weight 0.10000E+01 volume 0.24749E-02 ppm1 3.042 ppm2 7.442 CV 1 ASSI { 1457} (( segid " " and resid 152 and name HB2 )) (( segid " " and resid 152 and name HD22)) 4.300 2.300 1.700 peak 1457 spectrum 1 weight 0.10000E+01 volume 0.11474E-02 ppm1 3.042 ppm2 6.719 CV 1 ASSI { 1461} (( segid " " and resid 152 and name HA )) (( segid " " and resid 152 and name HB3 )) 2.300 0.600 0.600 peak 1461 spectrum 1 weight 0.10000E+01 volume 0.74213E-02 ppm1 4.348 ppm2 2.930 CV 1 ASSI { 1465} (( segid " " and resid 153 and name HB2 )) (( segid " " and resid 153 and name HA )) 2.900 1.100 1.100 peak 1465 spectrum 1 weight 0.10000E+01 volume 0.32796E-02 ppm1 2.112 ppm2 4.714 CV 1 ASSI { 1466} (( segid " " and resid 153 and name HB3 )) (( segid " " and resid 153 and name HA )) 2.400 0.700 0.700 peak 1466 spectrum 1 weight 0.10000E+01 volume 0.49880E-02 ppm1 1.939 ppm2 4.714 CV 1 ASSI { 1470} (( segid " " and resid 153 and name HB2 )) (( segid " " and resid 154 and name HN )) 3.700 1.800 1.800 peak 1470 spectrum 1 weight 0.10000E+01 volume 0.18610E-02 ppm1 2.112 ppm2 9.023 CV 1 ASSI { 1472} (( segid " " and resid 153 and name HD2 )) (( segid " " and resid 153 and name HA )) 3.400 1.400 1.400 peak 1472 spectrum 1 weight 0.10000E+01 volume 0.25095E-02 ppm1 1.765 ppm2 4.709 CV 1 OR { 1472} (( segid " " and resid 153 and name HD3 )) (( segid " " and resid 153 and name HA )) ASSI { 1475} (( segid " " and resid 153 and name HG3 )) (( segid " " and resid 153 and name HA )) 3.300 1.400 1.400 peak 1475 spectrum 1 weight 0.10000E+01 volume 0.24749E-02 ppm1 1.468 ppm2 4.705 CV 1 ASSI { 1476} (( segid " " and resid 153 and name HG2 )) (( segid " " and resid 153 and name HA )) 2.900 1.100 1.100 peak 1476 spectrum 1 weight 0.10000E+01 volume 0.19075E-02 ppm1 1.511 ppm2 4.703 CV 1 ASSI { 1479} (( segid " " and resid 154 and name HB2 )) (( segid " " and resid 154 and name HA )) 2.500 0.800 0.800 peak 1479 spectrum 1 weight 0.10000E+01 volume 0.37112E-02 ppm1 1.837 ppm2 3.822 CV 1 ASSI { 1480} (( segid " " and resid 154 and name HB3 )) (( segid " " and resid 154 and name HA )) 2.800 1.000 1.000 peak 1480 spectrum 1 weight 0.10000E+01 volume 0.42101E-02 ppm1 1.803 ppm2 3.822 CV 1 ASSI { 1481} (( segid " " and resid 154 and name HB2 )) (( segid " " and resid 154 and name HN )) 2.400 0.700 0.700 peak 1481 spectrum 1 weight 0.10000E+01 volume 0.44861E-02 ppm1 1.838 ppm2 9.021 CV 1 ASSI { 1482} (( segid " " and resid 154 and name HB3 )) (( segid " " and resid 154 and name HN )) 2.600 0.800 0.800 peak 1482 spectrum 1 weight 0.10000E+01 volume 0.49880E-02 ppm1 1.804 ppm2 9.024 CV 1 ASSI { 1485} (( segid " " and resid 154 and name HG3 )) (( segid " " and resid 154 and name HA )) 2.900 1.100 1.100 peak 1485 spectrum 1 weight 0.10000E+01 volume 0.22025E-02 ppm1 2.115 ppm2 3.821 CV 1 ASSI { 1486} (( segid " " and resid 154 and name HG2 )) (( segid " " and resid 154 and name HA )) 3.100 1.200 1.200 peak 1486 spectrum 1 weight 0.10000E+01 volume 0.27933E-02 ppm1 2.227 ppm2 3.821 CV 1 ASSI { 1487} (( segid " " and resid 154 and name HG3 )) (( segid " " and resid 154 and name HN )) 3.900 1.900 1.900 peak 1487 spectrum 1 weight 0.10000E+01 volume 0.22889E-02 ppm1 2.115 ppm2 9.017 CV 1 ASSI { 1490} ( segid " " and resid 155 and name HB% ) (( segid " " and resid 155 and name HA )) 2.100 0.600 0.600 peak 1490 spectrum 1 weight 0.10000E+01 volume 0.12261E-01 ppm1 0.494 ppm2 3.897 CV 1 ASSI { 1491} ( segid " " and resid 155 and name HB% ) (( segid " " and resid 155 and name HN )) 2.300 0.600 0.600 peak 1491 spectrum 1 weight 0.10000E+01 volume 0.10116E-01 ppm1 0.494 ppm2 7.759 CV 1 ASSI { 1498} (( segid " " and resid 156 and name HB2 )) (( segid " " and resid 156 and name HD2 )) 3.800 1.800 1.800 peak 1498 spectrum 1 weight 0.10000E+01 volume 0.16905E-02 ppm1 2.228 ppm2 3.640 CV 1 ASSI { 1499} (( segid " " and resid 156 and name HB2 )) (( segid " " and resid 156 and name HD3 )) 4.200 2.200 1.800 peak 1499 spectrum 1 weight 0.10000E+01 volume 0.12530E-02 ppm1 2.228 ppm2 3.103 CV 1 ASSI { 1501} (( segid " " and resid 156 and name HB3 )) (( segid " " and resid 156 and name HD3 )) 3.300 1.400 1.400 peak 1501 spectrum 1 weight 0.10000E+01 volume 0.19641E-02 ppm1 1.885 ppm2 3.103 CV 1 ASSI { 1503} (( segid " " and resid 156 and name HB3 )) (( segid " " and resid 156 and name HA )) 2.300 0.700 0.700 peak 1503 spectrum 1 weight 0.10000E+01 volume 0.55478E-02 ppm1 1.885 ppm2 4.386 CV 1 ASSI { 1504} (( segid " " and resid 156 and name HB2 )) (( segid " " and resid 157 and name HN )) 3.300 1.400 1.400 peak 1504 spectrum 1 weight 0.10000E+01 volume 0.19885E-02 ppm1 2.228 ppm2 8.289 CV 1 ASSI { 1505} (( segid " " and resid 156 and name HB3 )) (( segid " " and resid 157 and name HN )) 3.600 1.600 1.600 peak 1505 spectrum 1 weight 0.10000E+01 volume 0.25512E-02 ppm1 1.885 ppm2 8.289 CV 1 ASSI { 1507} (( segid " " and resid 156 and name HA )) (( segid " " and resid 156 and name HB2 )) 2.400 0.700 0.700 peak 1507 spectrum 1 weight 0.10000E+01 volume 0.10956E-01 ppm1 4.386 ppm2 2.230 CV 1 ASSI { 1508} (( segid " " and resid 156 and name HA )) (( segid " " and resid 156 and name HG2 )) 3.800 1.800 1.800 peak 1508 spectrum 1 weight 0.10000E+01 volume 0.22162E-02 ppm1 4.386 ppm2 1.999 CV 1 ASSI { 1509} (( segid " " and resid 156 and name HA )) (( segid " " and resid 156 and name HB3 )) 2.300 0.700 0.700 peak 1509 spectrum 1 weight 0.10000E+01 volume 0.72720E-02 ppm1 4.386 ppm2 1.886 CV 1 OR { 1509} (( segid " " and resid 156 and name HA )) (( segid " " and resid 156 and name HG3 )) ASSI { 1512} (( segid " " and resid 156 and name HG3 )) (( segid " " and resid 156 and name HD3 )) 2.400 0.700 0.700 peak 1512 spectrum 1 weight 0.10000E+01 volume 0.38250E-02 ppm1 1.885 ppm2 3.104 CV 1 ASSI { 1513} (( segid " " and resid 156 and name HG2 )) (( segid " " and resid 156 and name HD3 )) 3.100 1.200 1.200 peak 1513 spectrum 1 weight 0.10000E+01 volume 0.31378E-02 ppm1 1.993 ppm2 3.104 CV 1 ASSI { 1514} (( segid " " and resid 156 and name HG2 )) (( segid " " and resid 156 and name HD2 )) 2.400 0.700 0.700 peak 1514 spectrum 1 weight 0.10000E+01 volume 0.37386E-02 ppm1 1.993 ppm2 3.641 CV 1 ASSI { 1515} (( segid " " and resid 156 and name HG3 )) (( segid " " and resid 156 and name HD2 )) 2.900 1.100 1.100 peak 1515 spectrum 1 weight 0.10000E+01 volume 0.36027E-02 ppm1 1.885 ppm2 3.641 CV 1 ASSI { 1516} (( segid " " and resid 156 and name HG3 )) (( segid " " and resid 156 and name HA )) 3.900 1.900 1.900 peak 1516 spectrum 1 weight 0.10000E+01 volume 0.16321E-02 ppm1 1.885 ppm2 4.388 CV 1 ASSI { 1523} (( segid " " and resid 157 and name HA )) (( segid " " and resid 157 and name HB3 )) 2.300 0.700 0.700 peak 1523 spectrum 1 weight 0.10000E+01 volume 0.14497E-01 ppm1 4.393 ppm2 2.612 CV 1 OR { 1523} (( segid " " and resid 157 and name HA )) (( segid " " and resid 157 and name HB2 )) ASSI { 1526} (( segid " " and resid 158 and name HB2 )) (( segid " " and resid 158 and name HA )) 2.600 0.800 0.800 peak 1526 spectrum 1 weight 0.10000E+01 volume 0.70455E-02 ppm1 3.780 ppm2 4.283 CV 1 ASSI { 1527} (( segid " " and resid 158 and name HB3 )) (( segid " " and resid 158 and name HA )) 2.500 0.800 0.800 peak 1527 spectrum 1 weight 0.10000E+01 volume 0.59908E-02 ppm1 3.702 ppm2 4.283 CV 1 ASSI { 1529} (( segid " " and resid 158 and name HB3 )) (( segid " " and resid 158 and name HN )) 3.300 1.400 1.400 peak 1529 spectrum 1 weight 0.10000E+01 volume 0.23516E-02 ppm1 3.702 ppm2 7.949 CV 1 ASSI { 1535} (( segid " " and resid 159 and name HB2 )) (( segid " " and resid 159 and name HA )) 2.700 0.900 0.900 peak 1535 spectrum 1 weight 0.10000E+01 volume 0.45892E-02 ppm1 2.663 ppm2 4.610 CV 1 ASSI { 1536} (( segid " " and resid 159 and name HB3 )) (( segid " " and resid 159 and name HA )) 2.800 1.000 1.000 peak 1536 spectrum 1 weight 0.10000E+01 volume 0.47275E-02 ppm1 2.608 ppm2 4.615 CV 1 ASSI { 1537} (( segid " " and resid 159 and name HB2 )) (( segid " " and resid 160 and name HN )) 4.200 2.200 1.800 peak 1537 spectrum 1 weight 0.10000E+01 volume 0.11528E-02 ppm1 2.663 ppm2 7.830 CV 1 ASSI { 1538} (( segid " " and resid 159 and name HB3 )) (( segid " " and resid 160 and name HN )) 3.900 1.900 1.900 peak 1538 spectrum 1 weight 0.10000E+01 volume 0.14729E-02 ppm1 2.608 ppm2 7.830 CV 1 ASSI { 1543} (( segid " " and resid 160 and name HB )) (( segid " " and resid 160 and name HA )) 2.500 0.800 0.800 peak 1543 spectrum 1 weight 0.10000E+01 volume 0.53945E-02 ppm1 2.068 ppm2 4.000 CV 1 ASSI { 1545} (( segid " " and resid 160 and name HB )) (( segid " " and resid 161 and name HN )) 3.500 1.600 1.600 peak 1545 spectrum 1 weight 0.10000E+01 volume 0.24636E-02 ppm1 2.068 ppm2 8.310 CV 1 ASSI { 1546} (( segid " " and resid 160 and name HB )) ( segid " " and resid 160 and name HG2%) 2.100 0.600 0.600 peak 1546 spectrum 1 weight 0.10000E+01 volume 0.17817E-01 ppm1 2.068 ppm2 0.878 CV 1 OR { 1546} (( segid " " and resid 160 and name HB )) ( segid " " and resid 160 and name HG1%) ASSI { 1548} (( segid " " and resid 160 and name HA )) ( segid " " and resid 160 and name HG1%) 2.500 0.800 0.800 peak 1548 spectrum 1 weight 0.10000E+01 volume 0.93940E-02 ppm1 4.004 ppm2 0.879 CV 1 OR { 1548} (( segid " " and resid 160 and name HA )) ( segid " " and resid 160 and name HG2%) ASSI { 1559} (( segid " " and resid 161 and name HB2 )) (( segid " " and resid 161 and name HA )) 2.700 0.900 0.900 peak 1559 spectrum 1 weight 0.10000E+01 volume 0.50267E-02 ppm1 1.984 ppm2 4.210 CV 1 ASSI { 1560} (( segid " " and resid 161 and name HB3 )) (( segid " " and resid 161 and name HA )) 2.700 0.900 0.900 peak 1560 spectrum 1 weight 0.10000E+01 volume 0.38739E-02 ppm1 1.892 ppm2 4.209 CV 1 ASSI { 1561} (( segid " " and resid 161 and name HB2 )) (( segid " " and resid 161 and name HN )) 2.800 1.000 1.000 peak 1561 spectrum 1 weight 0.10000E+01 volume 0.29578E-02 ppm1 1.984 ppm2 8.317 CV 1 ASSI { 1567} (( segid " " and resid 146 and name HB3 )) (( segid " " and resid 146 and name HA )) 3.300 1.400 1.400 peak 1567 spectrum 1 weight 0.10000E+01 volume 0.13871E-02 ppm1 2.825 ppm2 4.612 CV 1 ASSI { 1568} (( segid " " and resid 146 and name HB2 )) (( segid " " and resid 146 and name HA )) 3.200 1.300 1.300 peak 1568 spectrum 1 weight 0.10000E+01 volume 0.14175E-02 ppm1 2.915 ppm2 4.616 CV 1 ASSI { 1570} (( segid " " and resid 163 and name HA )) (( segid " " and resid 163 and name HB2 )) 2.700 0.900 0.900 peak 1570 spectrum 1 weight 0.10000E+01 volume 0.49117E-02 ppm1 4.553 ppm2 3.005 CV 1 ASSI { 1582} (( segid " " and resid 4 and name HA )) (( segid " " and resid 4 and name HB2 )) 2.600 0.800 0.800 peak 1582 spectrum 1 weight 0.10000E+01 volume 0.47967E-02 ppm1 4.150 ppm2 2.619 CV 1 ASSI { 1583} (( segid " " and resid 4 and name HA )) (( segid " " and resid 4 and name HB3 )) 2.800 0.900 0.900 peak 1583 spectrum 1 weight 0.10000E+01 volume 0.47585E-02 ppm1 4.150 ppm2 2.468 CV 1 ASSI { 1604} (( segid " " and resid 1 and name HA )) (( segid " " and resid 2 and name HN )) 2.100 0.600 0.600 peak 1604 spectrum 1 weight 0.10000E+01 volume 0.78683E-02 ppm1 4.518 ppm2 9.293 CV 1 ASSI { 1608} (( segid " " and resid 2 and name HA )) (( segid " " and resid 2 and name HB2 )) 3.100 1.200 1.200 peak 1608 spectrum 1 weight 0.10000E+01 volume 0.26895E-02 ppm1 4.547 ppm2 2.406 CV 1 OR { 1608} (( segid " " and resid 2 and name HA )) (( segid " " and resid 2 and name HG3 )) ASSI { 1609} (( segid " " and resid 2 and name HA )) (( segid " " and resid 2 and name HB3 )) 2.900 1.000 1.000 peak 1609 spectrum 1 weight 0.10000E+01 volume 0.18532E-02 ppm1 4.547 ppm2 2.094 CV 1 ASSI { 1806} (( segid " " and resid 52 and name HB )) (( segid " " and resid 52 and name HA )) 2.900 1.100 1.100 peak 1806 spectrum 1 weight 0.10000E+01 volume 0.17257E-02 ppm1 2.245 ppm2 5.218 CV 1 ASSI { 1826} (( segid " " and resid 3 and name HG3 )) (( segid " " and resid 3 and name HG2 )) 1.900 0.500 0.500 peak 1826 spectrum 1 weight 0.10000E+01 volume 0.59306E-02 ppm1 2.490 ppm2 2.828 CV 1 ASSI { 1828} (( segid " " and resid 1 and name HB2 )) (( segid " " and resid 2 and name HN )) 3.900 1.900 1.900 peak 1828 spectrum 1 weight 0.10000E+01 volume 0.12816E-02 ppm1 2.152 ppm2 9.305 CV 1 ASSI { 1829} (( segid " " and resid 1 and name HB3 )) (( segid " " and resid 2 and name HN )) 3.500 1.600 1.600 peak 1829 spectrum 1 weight 0.10000E+01 volume 0.14979E-02 ppm1 2.087 ppm2 9.303 CV 1 ASSI { 1832} (( segid " " and resid 1 and name HG2 )) (( segid " " and resid 1 and name HA )) 3.200 1.200 1.200 peak 1832 spectrum 1 weight 0.10000E+01 volume 0.18884E-02 ppm1 2.671 ppm2 4.518 CV 1 ASSI { 1833} (( segid " " and resid 1 and name HG2 )) (( segid " " and resid 1 and name HB3 )) 2.500 0.800 0.800 peak 1833 spectrum 1 weight 0.10000E+01 volume 0.51264E-02 ppm1 2.671 ppm2 2.098 CV 1 OR { 1833} (( segid " " and resid 1 and name HG2 )) ( segid " " and resid 1 and name HE% ) ASSI { 1834} (( segid " " and resid 1 and name HG2 )) (( segid " " and resid 5 and name HB2 )) 3.200 1.300 1.300 peak 1834 spectrum 1 weight 0.10000E+01 volume 0.17447E-02 ppm1 2.671 ppm2 1.980 CV 1 OR { 1834} (( segid " " and resid 1 and name HG2 )) (( segid " " and resid 5 and name HB3 )) ASSI { 1835} (( segid " " and resid 1 and name HG3 )) (( segid " " and resid 1 and name HB3 )) 2.700 0.900 0.900 peak 1835 spectrum 1 weight 0.10000E+01 volume 0.59908E-02 ppm1 2.602 ppm2 2.101 CV 1 OR { 1835} (( segid " " and resid 1 and name HG3 )) ( segid " " and resid 1 and name HE% ) ASSI { 1836} (( segid " " and resid 1 and name HG3 )) (( segid " " and resid 5 and name HB3 )) 3.500 1.500 1.500 peak 1836 spectrum 1 weight 0.10000E+01 volume 0.17692E-02 ppm1 2.602 ppm2 1.975 CV 1 OR { 1836} (( segid " " and resid 1 and name HG3 )) (( segid " " and resid 5 and name HB2 )) ASSI { 1838} (( segid " " and resid 1 and name HG2 )) (( segid " " and resid 6 and name HN )) 4.300 2.300 1.700 peak 1838 spectrum 1 weight 0.10000E+01 volume 0.59667E-03 ppm1 2.671 ppm2 8.286 CV 1 ASSI { 1839} (( segid " " and resid 1 and name HG2 )) (( segid " " and resid 2 and name HN )) 4.200 2.200 1.800 peak 1839 spectrum 1 weight 0.10000E+01 volume 0.10527E-02 ppm1 2.671 ppm2 9.298 CV 1 ASSI { 1841} (( segid " " and resid 1 and name HG3 )) (( segid " " and resid 1 and name HA )) 3.100 1.200 1.200 peak 1841 spectrum 1 weight 0.10000E+01 volume 0.22347E-02 ppm1 2.602 ppm2 4.517 CV 1 ASSI { 1843} (( segid " " and resid 1 and name HG3 )) (( segid " " and resid 6 and name HN )) 4.200 2.200 1.800 peak 1843 spectrum 1 weight 0.10000E+01 volume 0.89947E-03 ppm1 2.602 ppm2 8.279 CV 1 ASSI { 1844} (( segid " " and resid 1 and name HG3 )) (( segid " " and resid 2 and name HN )) 4.400 2.500 1.600 peak 1844 spectrum 1 weight 0.10000E+01 volume 0.92512E-03 ppm1 2.602 ppm2 9.308 CV 1 ASSI { 1845} (( segid " " and resid 1 and name HB2 )) (( segid " " and resid 1 and name HG3 )) 2.800 1.000 1.000 peak 1845 spectrum 1 weight 0.10000E+01 volume 0.21268E-02 ppm1 2.152 ppm2 2.624 CV 1 ASSI { 1846} (( segid " " and resid 1 and name HB2 )) (( segid " " and resid 9 and name HB2 )) 3.500 3.500 2.500 peak 1846 spectrum 1 weight 0.10000E+01 volume 0.17227E-02 ppm1 2.152 ppm2 1.948 CV 1 ASSI { 1847} (( segid " " and resid 1 and name HB3 )) (( segid " " and resid 1 and name HG3 )) 3.100 1.200 1.200 peak 1847 spectrum 1 weight 0.10000E+01 volume 0.24290E-02 ppm1 2.087 ppm2 2.620 CV 1 ASSI { 1848} (( segid " " and resid 1 and name HG3 )) ( segid " " and resid 9 and name HD2%) 4.500 2.500 1.500 peak 1848 spectrum 1 weight 0.10000E+01 volume 0.62528E-03 ppm1 2.602 ppm2 0.962 CV 1 OR { 1848} (( segid " " and resid 1 and name HG3 )) ( segid " " and resid 9 and name HD1%) ASSI { 1849} ( segid " " and resid 1 and name HE% ) ( segid " " and resid 9 and name HD2%) 2.200 0.600 0.600 peak 1849 spectrum 1 weight 0.10000E+01 volume 0.16189E-01 ppm1 2.090 ppm2 0.975 CV 1 OR { 1849} ( segid " " and resid 1 and name HE% ) ( segid " " and resid 9 and name HD1%) ASSI { 1851} ( segid " " and resid 1 and name HE% ) (( segid " " and resid 2 and name HN )) 4.700 2.800 1.300 peak 1851 spectrum 1 weight 0.10000E+01 volume 0.93048E-03 ppm1 2.090 ppm2 9.292 CV 1 ASSI { 1854} ( segid " " and resid 1 and name HE% ) (( segid " " and resid 6 and name HA )) 3.200 1.200 1.200 peak 1854 spectrum 1 weight 0.10000E+01 volume 0.17638E-02 ppm1 2.090 ppm2 4.274 CV 1 ASSI { 1855} ( segid " " and resid 1 and name HE% ) (( segid " " and resid 1 and name HA )) 3.800 1.900 1.900 peak 1855 spectrum 1 weight 0.10000E+01 volume 0.22889E-02 ppm1 2.090 ppm2 4.520 CV 1 ASSI { 1856} ( segid " " and resid 1 and name HE% ) (( segid " " and resid 6 and name HD2 )) 3.900 1.900 1.900 peak 1856 spectrum 1 weight 0.10000E+01 volume 0.85061E-03 ppm1 2.090 ppm2 3.457 CV 1 ASSI { 1857} ( segid " " and resid 1 and name HE% ) (( segid " " and resid 6 and name HD3 )) 3.400 1.400 1.400 peak 1857 spectrum 1 weight 0.10000E+01 volume 0.12297E-02 ppm1 2.090 ppm2 3.260 CV 1 ASSI { 1858} (( segid " " and resid 2 and name HA )) (( segid " " and resid 3 and name HN )) 2.800 0.900 0.900 peak 1858 spectrum 1 weight 0.10000E+01 volume 0.25822E-02 ppm1 4.546 ppm2 8.440 CV 1 ASSI { 1859} ( segid " " and resid 1 and name HE% ) (( segid " " and resid 1 and name HG3 )) 2.700 0.900 0.900 peak 1859 spectrum 1 weight 0.10000E+01 volume 0.60679E-02 ppm1 2.090 ppm2 2.631 CV 1 OR { 1859} ( segid " " and resid 1 and name HE% ) (( segid " " and resid 1 and name HG2 )) ASSI { 1862} (( segid " " and resid 2 and name HB2 )) (( segid " " and resid 2 and name HG2 )) 3.300 1.400 1.400 peak 1862 spectrum 1 weight 0.10000E+01 volume 0.18610E-02 ppm1 2.382 ppm2 2.560 CV 1 ASSI { 1863} (( segid " " and resid 2 and name HB2 )) (( segid " " and resid 2 and name HB3 )) 2.000 0.500 0.500 peak 1863 spectrum 1 weight 0.10000E+01 volume 0.37493E-02 ppm1 2.382 ppm2 2.085 CV 1 ASSI { 1865} (( segid " " and resid 2 and name HB2 )) (( segid " " and resid 2 and name HA )) 3.600 1.600 1.600 peak 1865 spectrum 1 weight 0.10000E+01 volume 0.11284E-02 ppm1 2.382 ppm2 4.544 CV 1 ASSI { 1866} (( segid " " and resid 2 and name HB2 )) (( segid " " and resid 2 and name HN )) 3.400 1.400 1.400 peak 1866 spectrum 1 weight 0.10000E+01 volume 0.72124E-03 ppm1 2.382 ppm2 9.296 CV 1 ASSI { 1867} (( segid " " and resid 2 and name HB3 )) ( segid " " and resid 30 and name HD1%) 3.500 1.500 1.500 peak 1867 spectrum 1 weight 0.10000E+01 volume 0.86013E-03 ppm1 2.090 ppm2 0.947 CV 1 ASSI { 1868} (( segid " " and resid 2 and name HB3 )) (( segid " " and resid 2 and name HB2 )) 1.900 0.400 0.400 peak 1868 spectrum 1 weight 0.10000E+01 volume 0.82260E-02 ppm1 2.090 ppm2 2.391 CV 1 OR { 1868} (( segid " " and resid 2 and name HB3 )) (( segid " " and resid 2 and name HG3 )) ASSI { 1871} (( segid " " and resid 2 and name HB3 )) (( segid " " and resid 5 and name HN )) 4.000 2.000 2.000 peak 1871 spectrum 1 weight 0.10000E+01 volume 0.89295E-03 ppm1 2.090 ppm2 7.408 CV 1 ASSI { 1872} (( segid " " and resid 2 and name HB3 )) (( segid " " and resid 2 and name HN )) 3.300 1.300 1.300 peak 1872 spectrum 1 weight 0.10000E+01 volume 0.18610E-02 ppm1 2.090 ppm2 9.304 CV 1 ASSI { 1873} (( segid " " and resid 2 and name HG2 )) (( segid " " and resid 2 and name HB3 )) 2.400 0.700 0.700 peak 1873 spectrum 1 weight 0.10000E+01 volume 0.62528E-02 ppm1 2.568 ppm2 2.094 CV 1 ASSI { 1876} (( segid " " and resid 2 and name HG2 )) ( segid " " and resid 30 and name HD1%) 3.500 1.500 1.500 peak 1876 spectrum 1 weight 0.10000E+01 volume 0.21155E-02 ppm1 2.568 ppm2 0.934 CV 1 OR { 1876} (( segid " " and resid 2 and name HG2 )) ( segid " " and resid 30 and name HG2%) ASSI { 1879} (( segid " " and resid 2 and name HG2 )) (( segid " " and resid 2 and name HA )) 3.000 1.100 1.100 peak 1879 spectrum 1 weight 0.10000E+01 volume 0.38143E-02 ppm1 2.568 ppm2 4.546 CV 1 ASSI { 1880} (( segid " " and resid 2 and name HG2 )) (( segid " " and resid 5 and name HN )) 4.400 2.400 1.600 peak 1880 spectrum 1 weight 0.10000E+01 volume 0.57157E-03 ppm1 2.568 ppm2 7.420 CV 1 ASSI { 1881} (( segid " " and resid 2 and name HG2 )) (( segid " " and resid 3 and name HN )) 4.300 2.300 1.700 peak 1881 spectrum 1 weight 0.10000E+01 volume 0.79038E-03 ppm1 2.568 ppm2 8.451 CV 1 ASSI { 1882} (( segid " " and resid 2 and name HG2 )) (( segid " " and resid 2 and name HN )) 3.100 1.200 1.200 peak 1882 spectrum 1 weight 0.10000E+01 volume 0.19885E-02 ppm1 2.568 ppm2 9.299 CV 1 ASSI { 1887} (( segid " " and resid 2 and name HG3 )) ( segid " " and resid 30 and name HD1%) 3.600 1.600 1.600 peak 1887 spectrum 1 weight 0.10000E+01 volume 0.17960E-02 ppm1 2.417 ppm2 0.943 CV 1 OR { 1887} (( segid " " and resid 2 and name HG3 )) ( segid " " and resid 30 and name HG2%) ASSI { 1889} (( segid " " and resid 2 and name HG3 )) (( segid " " and resid 2 and name HN )) 2.900 1.000 1.000 peak 1889 spectrum 1 weight 0.10000E+01 volume 0.23325E-02 ppm1 2.417 ppm2 9.301 CV 1 ASSI { 1890} (( segid " " and resid 2 and name HG3 )) (( segid " " and resid 3 and name HN )) 4.400 2.400 1.600 peak 1890 spectrum 1 weight 0.10000E+01 volume 0.81664E-03 ppm1 2.417 ppm2 8.461 CV 1 ASSI { 1891} (( segid " " and resid 2 and name HG3 )) (( segid " " and resid 5 and name HN )) 4.000 2.000 2.000 peak 1891 spectrum 1 weight 0.10000E+01 volume 0.67895E-03 ppm1 2.417 ppm2 7.417 CV 1 ASSI { 1894} ( segid " " and resid 3 and name HE% ) (( segid " " and resid 52 and name HB )) 3.100 1.200 1.200 peak 1894 spectrum 1 weight 0.10000E+01 volume 0.18610E-02 ppm1 1.922 ppm2 2.221 CV 1 ASSI { 1895} ( segid " " and resid 3 and name HE% ) (( segid " " and resid 3 and name HG3 )) 2.900 1.100 1.100 peak 1895 spectrum 1 weight 0.10000E+01 volume 0.25822E-02 ppm1 1.922 ppm2 2.489 CV 1 ASSI { 1896} ( segid " " and resid 3 and name HE% ) (( segid " " and resid 3 and name HG2 )) 3.500 1.500 1.500 peak 1896 spectrum 1 weight 0.10000E+01 volume 0.11486E-02 ppm1 1.922 ppm2 2.837 CV 1 ASSI { 1897} ( segid " " and resid 3 and name HE% ) (( segid " " and resid 29 and name HB3 )) 3.700 1.700 1.700 peak 1897 spectrum 1 weight 0.10000E+01 volume 0.10134E-02 ppm1 1.922 ppm2 3.593 CV 1 ASSI { 1898} ( segid " " and resid 3 and name HE% ) (( segid " " and resid 29 and name HB2 )) 3.600 1.600 1.600 peak 1898 spectrum 1 weight 0.10000E+01 volume 0.12583E-02 ppm1 1.922 ppm2 3.872 CV 1 ASSI { 1902} (( segid " " and resid 4 and name HB2 )) (( segid " " and resid 4 and name HB3 )) 2.000 0.500 0.500 peak 1902 spectrum 1 weight 0.10000E+01 volume 0.64257E-02 ppm1 2.619 ppm2 2.468 CV 1 ASSI { 1907} (( segid " " and resid 5 and name HA )) (( segid " " and resid 8 and name HN )) 3.300 1.300 1.300 peak 1907 spectrum 1 weight 0.10000E+01 volume 0.14384E-02 ppm1 4.153 ppm2 7.691 CV 1 ASSI { 1908} (( segid " " and resid 5 and name HA )) (( segid " " and resid 8 and name HB3 )) 2.500 0.800 0.800 peak 1908 spectrum 1 weight 0.10000E+01 volume 0.38358E-02 ppm1 4.153 ppm2 3.221 CV 1 OR { 1908} (( segid " " and resid 5 and name HA )) (( segid " " and resid 8 and name HB2 )) ASSI { 1909} (( segid " " and resid 5 and name HB2 )) (( segid " " and resid 2 and name HN )) 3.400 1.400 1.400 peak 1909 spectrum 1 weight 0.10000E+01 volume 0.75942E-03 ppm1 1.989 ppm2 9.303 CV 1 OR { 1909} (( segid " " and resid 5 and name HB3 )) (( segid " " and resid 2 and name HN )) ASSI { 1910} (( segid " " and resid 5 and name HB2 )) (( segid " " and resid 6 and name HN )) 2.900 1.000 1.000 peak 1910 spectrum 1 weight 0.10000E+01 volume 0.16011E-02 ppm1 1.989 ppm2 8.287 CV 1 OR { 1910} (( segid " " and resid 5 and name HB3 )) (( segid " " and resid 6 and name HN )) ASSI { 1911} (( segid " " and resid 5 and name HG2 )) (( segid " " and resid 5 and name HG3 )) 1.400 0.300 0.800 peak 1911 spectrum 1 weight 0.10000E+01 volume 0.19861E-01 ppm1 1.619 ppm2 1.531 CV 1 ASSI { 1912} (( segid " " and resid 5 and name HG2 )) (( segid " " and resid 5 and name HB2 )) 2.400 0.700 0.700 peak 1912 spectrum 1 weight 0.10000E+01 volume 0.50803E-02 ppm1 1.619 ppm2 1.999 CV 1 OR { 1912} (( segid " " and resid 5 and name HG2 )) (( segid " " and resid 5 and name HB3 )) ASSI { 1918} (( segid " " and resid 20 and name HD3 )) (( segid " " and resid 20 and name HE2 )) 2.200 0.600 0.600 peak 1918 spectrum 1 weight 0.10000E+01 volume 0.11981E-01 ppm1 1.729 ppm2 3.038 CV 1 OR { 1918} (( segid " " and resid 20 and name HD3 )) (( segid " " and resid 20 and name HE3 )) ASSI { 1922} (( segid " " and resid 5 and name HD3 )) (( segid " " and resid 5 and name HN )) 3.700 1.700 1.700 peak 1922 spectrum 1 weight 0.10000E+01 volume 0.14616E-02 ppm1 1.728 ppm2 7.421 CV 1 OR { 1922} (( segid " " and resid 5 and name HD2 )) (( segid " " and resid 5 and name HN )) ASSI { 1924} (( segid " " and resid 5 and name HB2 )) (( segid " " and resid 5 and name HG3 )) 2.500 0.800 0.800 peak 1924 spectrum 1 weight 0.10000E+01 volume 0.33810E-02 ppm1 1.989 ppm2 1.534 CV 1 OR { 1924} (( segid " " and resid 5 and name HB3 )) (( segid " " and resid 5 and name HG3 )) ASSI { 1926} (( segid " " and resid 5 and name HB3 )) (( segid " " and resid 1 and name HG3 )) 3.600 1.600 1.600 peak 1926 spectrum 1 weight 0.10000E+01 volume 0.11933E-02 ppm1 1.989 ppm2 2.637 CV 1 OR { 1926} (( segid " " and resid 5 and name HB2 )) (( segid " " and resid 1 and name HG3 )) OR { 1926} (( segid " " and resid 5 and name HB2 )) (( segid " " and resid 1 and name HG2 )) OR { 1926} (( segid " " and resid 5 and name HB3 )) (( segid " " and resid 1 and name HG2 )) ASSI { 1930} (( segid " " and resid 6 and name HB3 )) (( segid " " and resid 6 and name HB2 )) 2.100 0.500 0.500 peak 1930 spectrum 1 weight 0.10000E+01 volume 0.24636E-02 ppm1 1.682 ppm2 2.253 CV 1 ASSI { 1931} (( segid " " and resid 6 and name HB2 )) (( segid " " and resid 6 and name HA )) 3.500 1.600 1.600 peak 1931 spectrum 1 weight 0.10000E+01 volume 0.59968E-03 ppm1 2.248 ppm2 4.269 CV 1 ASSI { 1932} (( segid " " and resid 6 and name HB3 )) (( segid " " and resid 6 and name HA )) 3.100 1.200 1.200 peak 1932 spectrum 1 weight 0.10000E+01 volume 0.12643E-02 ppm1 1.682 ppm2 4.269 CV 1 ASSI { 1933} (( segid " " and resid 6 and name HG2 )) (( segid " " and resid 6 and name HG3 )) 2.200 0.600 0.600 peak 1933 spectrum 1 weight 0.10000E+01 volume 0.20314E-02 ppm1 1.900 ppm2 1.510 CV 1 ASSI { 1936} (( segid " " and resid 7 and name HA )) (( segid " " and resid 7 and name HG12)) 2.500 0.800 0.800 peak 1936 spectrum 1 weight 0.10000E+01 volume 0.34567E-02 ppm1 3.424 ppm2 1.892 CV 1 OR { 1936} (( segid " " and resid 7 and name HA )) (( segid " " and resid 7 and name HB )) ASSI { 1937} (( segid " " and resid 7 and name HA )) (( segid " " and resid 10 and name HB2 )) 3.300 1.300 1.300 peak 1937 spectrum 1 weight 0.10000E+01 volume 0.81188E-03 ppm1 3.424 ppm2 2.147 CV 1 ASSI { 1938} (( segid " " and resid 7 and name HA )) (( segid " " and resid 10 and name HB3 )) 4.600 2.700 1.400 peak 1938 spectrum 1 weight 0.10000E+01 volume 0.65510E-03 ppm1 3.424 ppm2 2.051 CV 1 ASSI { 1941} (( segid " " and resid 6 and name HD3 )) (( segid " " and resid 6 and name HD2 )) 1.800 0.400 0.400 peak 1941 spectrum 1 weight 0.10000E+01 volume 0.53334E-02 ppm1 3.267 ppm2 3.452 CV 1 ASSI { 1945} (( segid " " and resid 6 and name HD3 )) (( segid " " and resid 6 and name HG2 )) 2.900 1.000 1.000 peak 1945 spectrum 1 weight 0.10000E+01 volume 0.14538E-02 ppm1 3.267 ppm2 1.903 CV 1 ASSI { 1946} (( segid " " and resid 6 and name HD3 )) (( segid " " and resid 6 and name HG3 )) 3.400 1.500 1.500 peak 1946 spectrum 1 weight 0.10000E+01 volume 0.10676E-02 ppm1 3.267 ppm2 1.499 CV 1 ASSI { 1947} (( segid " " and resid 6 and name HD3 )) ( segid " " and resid 9 and name HD2%) 3.900 1.900 1.900 peak 1947 spectrum 1 weight 0.10000E+01 volume 0.88043E-03 ppm1 3.267 ppm2 0.958 CV 1 OR { 1947} (( segid " " and resid 6 and name HD3 )) ( segid " " and resid 9 and name HD1%) ASSI { 1949} (( segid " " and resid 6 and name HD2 )) ( segid " " and resid 9 and name HD2%) 3.800 1.800 1.800 peak 1949 spectrum 1 weight 0.10000E+01 volume 0.83688E-03 ppm1 3.451 ppm2 0.958 CV 1 OR { 1949} (( segid " " and resid 6 and name HD2 )) ( segid " " and resid 9 and name HD1%) ASSI { 1951} (( segid " " and resid 6 and name HD2 )) (( segid " " and resid 6 and name HA )) 2.800 1.000 1.000 peak 1951 spectrum 1 weight 0.10000E+01 volume 0.18961E-02 ppm1 3.451 ppm2 4.269 CV 1 ASSI { 1952} (( segid " " and resid 6 and name HD3 )) (( segid " " and resid 6 and name HA )) 2.900 1.000 1.000 peak 1952 spectrum 1 weight 0.10000E+01 volume 0.18556E-02 ppm1 3.267 ppm2 4.269 CV 1 ASSI { 1953} (( segid " " and resid 6 and name HG3 )) (( segid " " and resid 6 and name HB2 )) 3.100 1.200 1.200 peak 1953 spectrum 1 weight 0.10000E+01 volume 0.13716E-02 ppm1 1.514 ppm2 2.242 CV 1 ASSI { 1955} (( segid " " and resid 6 and name HG3 )) (( segid " " and resid 6 and name HD2 )) 2.800 1.000 1.000 peak 1955 spectrum 1 weight 0.10000E+01 volume 0.17638E-02 ppm1 1.514 ppm2 3.452 CV 1 ASSI { 1956} (( segid " " and resid 6 and name HG3 )) (( segid " " and resid 6 and name HA )) 3.900 1.900 1.900 peak 1956 spectrum 1 weight 0.10000E+01 volume 0.88579E-03 ppm1 1.514 ppm2 4.269 CV 1 ASSI { 1958} (( segid " " and resid 6 and name HG2 )) (( segid " " and resid 6 and name HD2 )) 3.300 1.300 1.300 peak 1958 spectrum 1 weight 0.10000E+01 volume 0.14538E-02 ppm1 1.900 ppm2 3.452 CV 1 ASSI { 1959} (( segid " " and resid 6 and name HD2 )) ( segid " " and resid 1 and name HE% ) 4.300 2.400 1.700 peak 1959 spectrum 1 weight 0.10000E+01 volume 0.43615E-03 ppm1 3.451 ppm2 2.094 CV 1 OR { 1959} (( segid " " and resid 6 and name HD2 )) (( segid " " and resid 1 and name HB3 )) ASSI { 1960} (( segid " " and resid 6 and name HD2 )) (( segid " " and resid 6 and name HB2 )) 4.100 2.100 1.900 peak 1960 spectrum 1 weight 0.10000E+01 volume 0.60263E-03 ppm1 3.451 ppm2 2.253 CV 1 ASSI { 1961} (( segid " " and resid 6 and name HD3 )) ( segid " " and resid 1 and name HE% ) 3.600 1.600 1.600 peak 1961 spectrum 1 weight 0.10000E+01 volume 0.76894E-03 ppm1 3.267 ppm2 2.104 CV 1 OR { 1961} (( segid " " and resid 6 and name HD3 )) (( segid " " and resid 1 and name HB3 )) ASSI { 1962} (( segid " " and resid 6 and name HD3 )) (( segid " " and resid 6 and name HB2 )) 3.800 1.800 1.800 peak 1962 spectrum 1 weight 0.10000E+01 volume 0.77490E-03 ppm1 3.267 ppm2 2.253 CV 1 ASSI { 1963} (( segid " " and resid 6 and name HG2 )) (( segid " " and resid 6 and name HN )) 3.700 1.700 1.700 peak 1963 spectrum 1 weight 0.10000E+01 volume 0.59382E-03 ppm1 1.900 ppm2 8.283 CV 1 ASSI { 1968} (( segid " " and resid 7 and name HB )) ( segid " " and resid 7 and name HG2%) 2.300 0.600 0.600 peak 1968 spectrum 1 weight 0.10000E+01 volume 0.56014E-02 ppm1 1.890 ppm2 0.899 CV 1 ASSI { 1969} (( segid " " and resid 7 and name HB )) (( segid " " and resid 7 and name HA )) 3.200 1.300 1.300 peak 1969 spectrum 1 weight 0.10000E+01 volume 0.14098E-02 ppm1 1.890 ppm2 3.415 CV 1 ASSI { 1971} (( segid " " and resid 7 and name HB )) (( segid " " and resid 8 and name HN )) 2.600 0.800 0.800 peak 1971 spectrum 1 weight 0.10000E+01 volume 0.22514E-02 ppm1 1.890 ppm2 7.697 CV 1 ASSI { 1975} ( segid " " and resid 7 and name HG2%) ( segid " " and resid 37 and name HD1%) 3.200 1.300 1.300 peak 1975 spectrum 1 weight 0.10000E+01 volume 0.31992E-02 ppm1 0.905 ppm2 0.240 CV 1 OR { 1975} ( segid " " and resid 7 and name HG2%) ( segid " " and resid 37 and name HD2%) ASSI { 1978} ( segid " " and resid 7 and name HG2%) (( segid " " and resid 8 and name HB2 )) 4.200 2.200 1.800 peak 1978 spectrum 1 weight 0.10000E+01 volume 0.97818E-03 ppm1 0.905 ppm2 3.215 CV 1 OR { 1978} ( segid " " and resid 7 and name HG2%) (( segid " " and resid 8 and name HB3 )) ASSI { 1979} ( segid " " and resid 7 and name HG2%) (( segid " " and resid 7 and name HA )) 2.400 0.700 0.700 peak 1979 spectrum 1 weight 0.10000E+01 volume 0.62233E-02 ppm1 0.905 ppm2 3.426 CV 1 ASSI { 1981} ( segid " " and resid 7 and name HG2%) (( segid " " and resid 36 and name HA2 )) 4.100 2.100 1.900 peak 1981 spectrum 1 weight 0.10000E+01 volume 0.57427E-03 ppm1 0.905 ppm2 3.655 CV 1 ASSI { 1982} ( segid " " and resid 7 and name HG2%) (( segid " " and resid 41 and name HZ )) 2.500 0.800 0.800 peak 1982 spectrum 1 weight 0.10000E+01 volume 0.42584E-02 ppm1 0.905 ppm2 7.242 CV 1 ASSI { 1983} ( segid " " and resid 7 and name HG2%) ( segid " " and resid 41 and name HE% ) 3.300 1.400 1.400 peak 1983 spectrum 1 weight 0.10000E+01 volume 0.24022E-02 ppm1 0.905 ppm2 7.347 CV 1 ASSI { 1984} ( segid " " and resid 7 and name HG2%) (( segid " " and resid 8 and name HN )) 3.200 1.300 1.300 peak 1984 spectrum 1 weight 0.10000E+01 volume 0.24714E-02 ppm1 0.905 ppm2 7.704 CV 1 ASSI { 1985} ( segid " " and resid 7 and name HG2%) (( segid " " and resid 11 and name HN )) 4.100 2.100 1.900 peak 1985 spectrum 1 weight 0.10000E+01 volume 0.78623E-03 ppm1 0.905 ppm2 8.151 CV 1 ASSI { 1986} ( segid " " and resid 7 and name HG2%) (( segid " " and resid 7 and name HN )) 3.800 1.800 1.800 peak 1986 spectrum 1 weight 0.10000E+01 volume 0.24249E-02 ppm1 0.905 ppm2 8.435 CV 1 ASSI { 1987} (( segid " " and resid 7 and name HG13)) ( segid " " and resid 7 and name HG2%) 3.600 1.600 1.600 peak 1987 spectrum 1 weight 0.10000E+01 volume 0.22049E-02 ppm1 0.699 ppm2 0.906 CV 1 ASSI { 1988} (( segid " " and resid 7 and name HG13)) (( segid " " and resid 7 and name HG12)) 1.800 0.400 0.400 peak 1988 spectrum 1 weight 0.10000E+01 volume 0.65209E-02 ppm1 0.699 ppm2 1.890 CV 1 OR { 1988} (( segid " " and resid 7 and name HG13)) (( segid " " and resid 7 and name HB )) ASSI { 1990} (( segid " " and resid 7 and name HG13)) (( segid " " and resid 7 and name HA )) 3.200 1.300 1.300 peak 1990 spectrum 1 weight 0.10000E+01 volume 0.17799E-02 ppm1 0.699 ppm2 3.426 CV 1 ASSI { 1992} (( segid " " and resid 7 and name HG13)) (( segid " " and resid 7 and name HN )) 2.600 0.800 0.800 peak 1992 spectrum 1 weight 0.10000E+01 volume 0.12261E-02 ppm1 0.699 ppm2 8.441 CV 1 ASSI { 1993} ( segid " " and resid 7 and name HD1%) ( segid " " and resid 37 and name HD1%) 2.700 0.900 0.900 peak 1993 spectrum 1 weight 0.10000E+01 volume 0.43234E-02 ppm1 0.694 ppm2 0.248 CV 1 OR { 1993} ( segid " " and resid 7 and name HD1%) ( segid " " and resid 37 and name HD2%) ASSI { 1994} ( segid " " and resid 7 and name HD1%) ( segid " " and resid 7 and name HG2%) 2.100 0.600 0.600 peak 1994 spectrum 1 weight 0.10000E+01 volume 0.10038E-01 ppm1 0.694 ppm2 0.911 CV 1 ASSI { 1995} ( segid " " and resid 7 and name HD1%) (( segid " " and resid 37 and name HG )) 3.400 1.400 1.400 peak 1995 spectrum 1 weight 0.10000E+01 volume 0.14866E-02 ppm1 0.694 ppm2 1.197 CV 1 ASSI { 1997} ( segid " " and resid 7 and name HD1%) (( segid " " and resid 7 and name HG12)) 2.000 0.500 0.500 peak 1997 spectrum 1 weight 0.10000E+01 volume 0.13418E-01 ppm1 0.694 ppm2 1.894 CV 1 OR { 1997} ( segid " " and resid 7 and name HD1%) (( segid " " and resid 7 and name HB )) ASSI { 1999} ( segid " " and resid 7 and name HD1%) (( segid " " and resid 3 and name HG2 )) 3.100 1.200 1.200 peak 1999 spectrum 1 weight 0.10000E+01 volume 0.14807E-02 ppm1 0.694 ppm2 2.828 CV 1 ASSI { 2000} ( segid " " and resid 7 and name HD1%) (( segid " " and resid 7 and name HA )) 4.000 2.000 2.000 peak 2000 spectrum 1 weight 0.10000E+01 volume 0.23754E-02 ppm1 0.694 ppm2 3.425 CV 1 ASSI { 2001} ( segid " " and resid 7 and name HD1%) (( segid " " and resid 36 and name HA2 )) 2.700 0.900 0.900 peak 2001 spectrum 1 weight 0.10000E+01 volume 0.17554E-02 ppm1 0.694 ppm2 3.650 CV 1 ASSI { 2002} ( segid " " and resid 7 and name HD1%) (( segid " " and resid 36 and name HA1 )) 3.200 1.300 1.300 peak 2002 spectrum 1 weight 0.10000E+01 volume 0.42155E-02 ppm1 0.694 ppm2 4.169 CV 1 ASSI { 2003} ( segid " " and resid 7 and name HD1%) (( segid " " and resid 37 and name HA )) 3.200 1.300 1.300 peak 2003 spectrum 1 weight 0.10000E+01 volume 0.18151E-02 ppm1 0.694 ppm2 4.270 CV 1 ASSI { 2004} ( segid " " and resid 7 and name HD1%) (( segid " " and resid 37 and name HN )) 3.500 1.500 1.500 peak 2004 spectrum 1 weight 0.10000E+01 volume 0.10229E-02 ppm1 0.694 ppm2 7.108 CV 1 ASSI { 2005} ( segid " " and resid 7 and name HD1%) (( segid " " and resid 8 and name HN )) 5.000 3.200 1.000 peak 2005 spectrum 1 weight 0.10000E+01 volume 0.67238E-03 ppm1 0.694 ppm2 7.703 CV 1 ASSI { 2007} ( segid " " and resid 7 and name HD1%) (( segid " " and resid 36 and name HN )) 4.500 2.500 1.500 peak 2007 spectrum 1 weight 0.10000E+01 volume 0.63124E-03 ppm1 0.694 ppm2 8.317 CV 1 ASSI { 2009} (( segid " " and resid 8 and name HA )) (( segid " " and resid 8 and name HB2 )) 2.300 0.600 0.600 peak 2009 spectrum 1 weight 0.10000E+01 volume 0.73376E-02 ppm1 4.216 ppm2 3.226 CV 1 OR { 2009} (( segid " " and resid 8 and name HA )) (( segid " " and resid 8 and name HB3 )) ASSI { 2012} (( segid " " and resid 8 and name HA )) (( segid " " and resid 11 and name HG )) 3.000 1.100 1.100 peak 2012 spectrum 1 weight 0.10000E+01 volume 0.24982E-02 ppm1 4.216 ppm2 1.949 CV 1 ASSI { 2022} (( segid " " and resid 8 and name HB3 )) (( segid " " and resid 8 and name HN )) 2.400 0.700 0.700 peak 2022 spectrum 1 weight 0.10000E+01 volume 0.58159E-02 ppm1 3.215 ppm2 7.692 CV 1 ASSI { 2028} (( segid " " and resid 9 and name HA )) (( segid " " and resid 9 and name HB3 )) 2.700 0.900 0.900 peak 2028 spectrum 1 weight 0.10000E+01 volume 0.53870E-02 ppm1 4.094 ppm2 1.833 CV 1 OR { 2028} (( segid " " and resid 9 and name HA )) (( segid " " and resid 9 and name HG )) ASSI { 2029} (( segid " " and resid 9 and name HA )) ( segid " " and resid 9 and name HD1%) 2.600 0.800 0.800 peak 2029 spectrum 1 weight 0.10000E+01 volume 0.56320E-02 ppm1 4.094 ppm2 0.963 CV 1 OR { 2029} (( segid " " and resid 9 and name HA )) ( segid " " and resid 9 and name HD2%) ASSI { 2030} (( segid " " and resid 9 and name HB2 )) (( segid " " and resid 9 and name HB3 )) 1.600 0.300 0.600 peak 2030 spectrum 1 weight 0.10000E+01 volume 0.18204E-01 ppm1 1.937 ppm2 1.822 CV 1 OR { 2030} (( segid " " and resid 9 and name HB2 )) (( segid " " and resid 9 and name HG )) ASSI { 2031} (( segid " " and resid 9 and name HB2 )) ( segid " " and resid 9 and name HD1%) 2.500 0.800 0.800 peak 2031 spectrum 1 weight 0.10000E+01 volume 0.57623E-02 ppm1 1.937 ppm2 0.963 CV 1 OR { 2031} (( segid " " and resid 9 and name HB2 )) ( segid " " and resid 9 and name HD2%) ASSI { 2032} (( segid " " and resid 9 and name HB3 )) ( segid " " and resid 9 and name HD2%) 2.700 0.900 0.900 peak 2032 spectrum 1 weight 0.10000E+01 volume 0.58159E-02 ppm1 1.823 ppm2 0.963 CV 1 OR { 2032} (( segid " " and resid 9 and name HB3 )) ( segid " " and resid 9 and name HD1%) ASSI { 2033} (( segid " " and resid 9 and name HB3 )) (( segid " " and resid 9 and name HB2 )) 1.600 0.300 0.600 peak 2033 spectrum 1 weight 0.10000E+01 volume 0.13913E-01 ppm1 1.823 ppm2 1.938 CV 1 ASSI { 2034} ( segid " " and resid 9 and name HD1%) ( segid " " and resid 1 and name HE% ) 2.800 1.000 1.000 peak 2034 spectrum 1 weight 0.10000E+01 volume 0.72900E-02 ppm1 0.983 ppm2 2.091 CV 1 ASSI { 2036} ( segid " " and resid 9 and name HD1%) (( segid " " and resid 9 and name HA )) 2.500 0.800 0.800 peak 2036 spectrum 1 weight 0.10000E+01 volume 0.49880E-02 ppm1 0.983 ppm2 4.096 CV 1 ASSI { 2039} ( segid " " and resid 9 and name HD1%) (( segid " " and resid 9 and name HG )) 2.300 0.700 0.700 peak 2039 spectrum 1 weight 0.10000E+01 volume 0.11659E-01 ppm1 0.983 ppm2 1.825 CV 1 OR { 2039} ( segid " " and resid 9 and name HD1%) (( segid " " and resid 9 and name HB3 )) ASSI { 2042} (( segid " " and resid 9 and name HA )) (( segid " " and resid 10 and name HN )) 3.500 1.500 1.500 peak 2042 spectrum 1 weight 0.10000E+01 volume 0.90723E-03 ppm1 4.094 ppm2 8.399 CV 1 ASSI { 2043} ( segid " " and resid 9 and name HD2%) (( segid " " and resid 9 and name HG )) 2.100 0.500 0.500 peak 2043 spectrum 1 weight 0.10000E+01 volume 0.18270E-01 ppm1 0.948 ppm2 1.833 CV 1 OR { 2043} ( segid " " and resid 9 and name HD2%) (( segid " " and resid 9 and name HB3 )) ASSI { 2047} ( segid " " and resid 9 and name HD2%) (( segid " " and resid 6 and name HA )) 3.500 1.500 1.500 peak 2047 spectrum 1 weight 0.10000E+01 volume 0.11498E-02 ppm1 0.949 ppm2 4.276 CV 1 ASSI { 2048} ( segid " " and resid 9 and name HD1%) (( segid " " and resid 9 and name HN )) 4.100 2.100 1.900 peak 2048 spectrum 1 weight 0.10000E+01 volume 0.19015E-02 ppm1 0.984 ppm2 8.079 CV 1 ASSI { 2049} ( segid " " and resid 9 and name HD1%) (( segid " " and resid 10 and name HN )) 4.300 2.300 1.700 peak 2049 spectrum 1 weight 0.10000E+01 volume 0.87922E-03 ppm1 0.984 ppm2 8.385 CV 1 ASSI { 2052} ( segid " " and resid 9 and name HD2%) (( segid " " and resid 9 and name HN )) 4.200 2.300 1.800 peak 2052 spectrum 1 weight 0.10000E+01 volume 0.18639E-02 ppm1 0.949 ppm2 8.079 CV 1 ASSI { 2053} ( segid " " and resid 9 and name HD2%) (( segid " " and resid 10 and name HN )) 4.300 2.400 1.700 peak 2053 spectrum 1 weight 0.10000E+01 volume 0.90603E-03 ppm1 0.949 ppm2 8.385 CV 1 ASSI { 2054} (( segid " " and resid 10 and name HB2 )) (( segid " " and resid 10 and name HB3 )) 2.000 0.500 0.500 peak 2054 spectrum 1 weight 0.10000E+01 volume 0.40092E-02 ppm1 2.153 ppm2 2.010 CV 1 ASSI { 2055} (( segid " " and resid 10 and name HB2 )) (( segid " " and resid 10 and name HG3 )) 2.800 1.000 1.000 peak 2055 spectrum 1 weight 0.10000E+01 volume 0.19343E-02 ppm1 2.153 ppm2 2.319 CV 1 ASSI { 2056} (( segid " " and resid 10 and name HB2 )) (( segid " " and resid 10 and name HG2 )) 3.000 1.100 1.100 peak 2056 spectrum 1 weight 0.10000E+01 volume 0.15766E-02 ppm1 2.153 ppm2 2.479 CV 1 ASSI { 2059} (( segid " " and resid 6 and name HD3 )) (( segid " " and resid 7 and name HN )) 4.500 2.600 1.500 peak 2059 spectrum 1 weight 0.10000E+01 volume 0.60920E-03 ppm1 3.267 ppm2 8.476 CV 1 ASSI { 2063} (( segid " " and resid 10 and name HB3 )) (( segid " " and resid 10 and name HG3 )) 2.500 0.800 0.800 peak 2063 spectrum 1 weight 0.10000E+01 volume 0.48503E-02 ppm1 2.018 ppm2 2.316 CV 1 ASSI { 2065} (( segid " " and resid 10 and name HG2 )) (( segid " " and resid 10 and name HG3 )) 2.000 0.500 0.500 peak 2065 spectrum 1 weight 0.10000E+01 volume 0.42912E-02 ppm1 2.486 ppm2 2.316 CV 1 ASSI { 2067} (( segid " " and resid 10 and name HG2 )) (( segid " " and resid 10 and name HB3 )) 3.500 1.500 1.500 peak 2067 spectrum 1 weight 0.10000E+01 volume 0.15516E-02 ppm1 2.486 ppm2 2.025 CV 1 ASSI { 2068} (( segid " " and resid 10 and name HG2 )) ( segid " " and resid 22 and name HD1%) 3.600 1.600 1.600 peak 2068 spectrum 1 weight 0.10000E+01 volume 0.23164E-02 ppm1 2.486 ppm2 0.711 CV 1 OR { 2068} (( segid " " and resid 10 and name HG2 )) ( segid " " and resid 22 and name HD2%) ASSI { 2069} (( segid " " and resid 10 and name HG2 )) (( segid " " and resid 7 and name HA )) 3.600 1.600 1.600 peak 2069 spectrum 1 weight 0.10000E+01 volume 0.72008E-03 ppm1 2.486 ppm2 3.436 CV 1 ASSI { 2070} (( segid " " and resid 10 and name HG2 )) (( segid " " and resid 10 and name HA )) 3.500 1.500 1.500 peak 2070 spectrum 1 weight 0.10000E+01 volume 0.11516E-02 ppm1 2.486 ppm2 4.120 CV 1 ASSI { 2071} (( segid " " and resid 11 and name HB2 )) (( segid " " and resid 11 and name HB3 )) 1.600 0.300 0.600 peak 2071 spectrum 1 weight 0.10000E+01 volume 0.10593E-01 ppm1 1.882 ppm2 1.686 CV 1 ASSI { 2072} (( segid " " and resid 11 and name HB2 )) ( segid " " and resid 11 and name HD1%) 2.600 0.800 0.800 peak 2072 spectrum 1 weight 0.10000E+01 volume 0.43234E-02 ppm1 1.882 ppm2 0.957 CV 1 ASSI { 2073} (( segid " " and resid 11 and name HB2 )) ( segid " " and resid 11 and name HD2%) 3.500 1.500 1.500 peak 2073 spectrum 1 weight 0.10000E+01 volume 0.26013E-02 ppm1 1.882 ppm2 0.797 CV 1 ASSI { 2075} (( segid " " and resid 11 and name HB3 )) ( segid " " and resid 11 and name HD2%) 2.600 0.800 0.800 peak 2075 spectrum 1 weight 0.10000E+01 volume 0.36301E-02 ppm1 1.690 ppm2 0.806 CV 1 ASSI { 2076} (( segid " " and resid 11 and name HB3 )) ( segid " " and resid 11 and name HD1%) 2.600 0.800 0.800 peak 2076 spectrum 1 weight 0.10000E+01 volume 0.44700E-02 ppm1 1.690 ppm2 0.955 CV 1 ASSI { 2078} (( segid " " and resid 11 and name HB2 )) (( segid " " and resid 8 and name HA )) 2.700 0.900 0.900 peak 2078 spectrum 1 weight 0.10000E+01 volume 0.13942E-02 ppm1 1.882 ppm2 4.207 CV 1 ASSI { 2079} (( segid " " and resid 11 and name HB2 )) (( segid " " and resid 11 and name HA )) 3.100 1.200 1.200 peak 2079 spectrum 1 weight 0.10000E+01 volume 0.21888E-02 ppm1 1.882 ppm2 3.999 CV 1 ASSI { 2080} (( segid " " and resid 11 and name HB3 )) (( segid " " and resid 11 and name HA )) 2.500 0.800 0.800 peak 2080 spectrum 1 weight 0.10000E+01 volume 0.30191E-02 ppm1 1.690 ppm2 3.989 CV 1 ASSI { 2081} (( segid " " and resid 11 and name HB3 )) (( segid " " and resid 8 and name HA )) 4.400 2.500 1.600 peak 2081 spectrum 1 weight 0.10000E+01 volume 0.11874E-02 ppm1 1.690 ppm2 4.207 CV 1 ASSI { 2082} (( segid " " and resid 11 and name HG )) ( segid " " and resid 11 and name HD2%) 2.500 0.800 0.800 peak 2082 spectrum 1 weight 0.10000E+01 volume 0.33101E-02 ppm1 1.943 ppm2 0.803 CV 1 ASSI { 2083} (( segid " " and resid 11 and name HG )) ( segid " " and resid 11 and name HD1%) 2.300 0.700 0.700 peak 2083 spectrum 1 weight 0.10000E+01 volume 0.65269E-02 ppm1 1.943 ppm2 0.963 CV 1 ASSI { 2086} (( segid " " and resid 11 and name HB2 )) (( segid " " and resid 12 and name HN )) 3.200 1.200 1.200 peak 2086 spectrum 1 weight 0.10000E+01 volume 0.10008E-02 ppm1 1.881 ppm2 7.430 CV 1 ASSI { 2088} (( segid " " and resid 11 and name HB3 )) (( segid " " and resid 12 and name HN )) 4.100 2.100 1.900 peak 2088 spectrum 1 weight 0.10000E+01 volume 0.78267E-03 ppm1 1.690 ppm2 7.430 CV 1 ASSI { 2090} (( segid " " and resid 11 and name HB3 )) (( segid " " and resid 14 and name HN )) 4.400 2.400 1.600 peak 2090 spectrum 1 weight 0.10000E+01 volume 0.59787E-03 ppm1 1.690 ppm2 7.756 CV 1 ASSI { 2092} (( segid " " and resid 11 and name HG )) (( segid " " and resid 11 and name HA )) 3.300 1.300 1.300 peak 2092 spectrum 1 weight 0.10000E+01 volume 0.16261E-02 ppm1 1.943 ppm2 3.999 CV 1 ASSI { 2094} (( segid " " and resid 11 and name HG )) (( segid " " and resid 41 and name HZ )) 4.400 2.400 1.600 peak 2094 spectrum 1 weight 0.10000E+01 volume 0.57222E-03 ppm1 1.943 ppm2 7.220 CV 1 ASSI { 2095} ( segid " " and resid 11 and name HD1%) (( segid " " and resid 16 and name HB3 )) 3.800 1.800 1.800 peak 2095 spectrum 1 weight 0.10000E+01 volume 0.15879E-02 ppm1 0.959 ppm2 0.353 CV 1 ASSI { 2097} ( segid " " and resid 11 and name HD1%) (( segid " " and resid 16 and name HG3 )) 2.600 0.900 0.900 peak 2097 spectrum 1 weight 0.10000E+01 volume 0.22699E-02 ppm1 0.959 ppm2 1.484 CV 1 ASSI { 2101} ( segid " " and resid 11 and name HD1%) (( segid " " and resid 41 and name HZ )) 2.600 0.800 0.800 peak 2101 spectrum 1 weight 0.10000E+01 volume 0.46000E-02 ppm1 0.959 ppm2 7.243 CV 1 ASSI { 2102} ( segid " " and resid 11 and name HD1%) ( segid " " and resid 41 and name HE% ) 3.100 1.200 1.200 peak 2102 spectrum 1 weight 0.10000E+01 volume 0.27855E-02 ppm1 0.959 ppm2 7.347 CV 1 ASSI { 2105} ( segid " " and resid 11 and name HD2%) (( segid " " and resid 16 and name HB3 )) 3.700 1.700 1.700 peak 2105 spectrum 1 weight 0.10000E+01 volume 0.15498E-02 ppm1 0.801 ppm2 0.357 CV 1 ASSI { 2106} ( segid " " and resid 11 and name HD2%) (( segid " " and resid 16 and name HG3 )) 3.000 1.100 1.100 peak 2106 spectrum 1 weight 0.10000E+01 volume 0.17012E-02 ppm1 0.801 ppm2 1.488 CV 1 ASSI { 2109} ( segid " " and resid 11 and name HD2%) (( segid " " and resid 19 and name HB )) 4.200 2.200 1.800 peak 2109 spectrum 1 weight 0.10000E+01 volume 0.10646E-02 ppm1 0.801 ppm2 2.310 CV 1 ASSI { 2110} ( segid " " and resid 11 and name HD2%) (( segid " " and resid 16 and name HA )) 2.500 0.800 0.800 peak 2110 spectrum 1 weight 0.10000E+01 volume 0.54170E-02 ppm1 0.801 ppm2 3.458 CV 1 ASSI { 2111} ( segid " " and resid 11 and name HD2%) (( segid " " and resid 16 and name HD3 )) 3.000 1.200 1.200 peak 2111 spectrum 1 weight 0.10000E+01 volume 0.86134E-03 ppm1 0.801 ppm2 3.705 CV 1 ASSI { 2113} ( segid " " and resid 11 and name HD2%) (( segid " " and resid 11 and name HA )) 2.100 0.500 0.500 peak 2113 spectrum 1 weight 0.10000E+01 volume 0.10235E-01 ppm1 0.801 ppm2 4.001 CV 1 ASSI { 2116} ( segid " " and resid 11 and name HD2%) ( segid " " and resid 41 and name HE% ) 2.700 0.900 0.900 peak 2116 spectrum 1 weight 0.10000E+01 volume 0.41559E-02 ppm1 0.801 ppm2 7.348 CV 1 ASSI { 2120} (( segid " " and resid 12 and name HB3 )) (( segid " " and resid 12 and name HD2 )) 2.900 1.000 1.000 peak 2120 spectrum 1 weight 0.10000E+01 volume 0.30650E-02 ppm1 1.853 ppm2 3.192 CV 1 OR { 2120} (( segid " " and resid 12 and name HB2 )) (( segid " " and resid 12 and name HD2 )) OR { 2120} (( segid " " and resid 12 and name HB3 )) (( segid " " and resid 12 and name HD3 )) OR { 2120} (( segid " " and resid 12 and name HB2 )) (( segid " " and resid 12 and name HD3 )) ASSI { 2123} (( segid " " and resid 12 and name HB3 )) (( segid " " and resid 13 and name HN )) 3.300 1.400 1.400 peak 2123 spectrum 1 weight 0.10000E+01 volume 0.17853E-02 ppm1 1.853 ppm2 8.752 CV 1 OR { 2123} (( segid " " and resid 12 and name HB2 )) (( segid " " and resid 13 and name HN )) ASSI { 2126} (( segid " " and resid 12 and name HA )) (( segid " " and resid 13 and name HA )) 3.600 1.700 1.700 peak 2126 spectrum 1 weight 0.10000E+01 volume 0.10932E-02 ppm1 3.961 ppm2 4.414 CV 1 ASSI { 2128} (( segid " " and resid 12 and name HG2 )) (( segid " " and resid 12 and name HG3 )) 1.600 0.300 0.600 peak 2128 spectrum 1 weight 0.10000E+01 volume 0.15516E-01 ppm1 1.776 ppm2 1.634 CV 1 ASSI { 2129} (( segid " " and resid 12 and name HG2 )) (( segid " " and resid 12 and name HD3 )) 2.800 1.000 1.000 peak 2129 spectrum 1 weight 0.10000E+01 volume 0.33101E-02 ppm1 1.776 ppm2 3.190 CV 1 ASSI { 2130} (( segid " " and resid 12 and name HG2 )) (( segid " " and resid 12 and name HA )) 3.400 1.400 1.400 peak 2130 spectrum 1 weight 0.10000E+01 volume 0.19235E-02 ppm1 1.776 ppm2 3.957 CV 1 ASSI { 2133} (( segid " " and resid 12 and name HG3 )) (( segid " " and resid 12 and name HD3 )) 2.500 0.800 0.800 peak 2133 spectrum 1 weight 0.10000E+01 volume 0.36087E-02 ppm1 1.645 ppm2 3.207 CV 1 OR { 2133} (( segid " " and resid 12 and name HG3 )) (( segid " " and resid 12 and name HD2 )) ASSI { 2134} (( segid " " and resid 12 and name HG3 )) (( segid " " and resid 12 and name HA )) 3.400 1.400 1.400 peak 2134 spectrum 1 weight 0.10000E+01 volume 0.24326E-02 ppm1 1.645 ppm2 3.964 CV 1 ASSI { 2137} (( segid " " and resid 12 and name HD2 )) ( segid " " and resid 9 and name HD1%) 3.500 1.500 1.500 peak 2137 spectrum 1 weight 0.10000E+01 volume 0.87386E-03 ppm1 3.230 ppm2 0.958 CV 1 ASSI { 2138} (( segid " " and resid 12 and name HD2 )) (( segid " " and resid 12 and name HG3 )) 2.500 0.800 0.800 peak 2138 spectrum 1 weight 0.10000E+01 volume 0.33863E-02 ppm1 3.230 ppm2 1.640 CV 1 ASSI { 2139} (( segid " " and resid 12 and name HD2 )) (( segid " " and resid 12 and name HB3 )) 2.900 1.100 1.100 peak 2139 spectrum 1 weight 0.10000E+01 volume 0.47275E-02 ppm1 3.230 ppm2 1.823 CV 1 OR { 2139} (( segid " " and resid 12 and name HD2 )) (( segid " " and resid 12 and name HB2 )) ASSI { 2142} (( segid " " and resid 12 and name HD3 )) (( segid " " and resid 12 and name HB3 )) 2.600 0.800 0.800 peak 2142 spectrum 1 weight 0.10000E+01 volume 0.46107E-02 ppm1 3.169 ppm2 1.829 CV 1 OR { 2142} (( segid " " and resid 12 and name HD3 )) (( segid " " and resid 12 and name HB2 )) ASSI { 2143} (( segid " " and resid 12 and name HD3 )) (( segid " " and resid 12 and name HG3 )) 2.600 0.800 0.800 peak 2143 spectrum 1 weight 0.10000E+01 volume 0.37761E-02 ppm1 3.169 ppm2 1.645 CV 1 ASSI { 2144} (( segid " " and resid 12 and name HD3 )) ( segid " " and resid 9 and name HD1%) 3.400 1.500 1.500 peak 2144 spectrum 1 weight 0.10000E+01 volume 0.90904E-03 ppm1 3.169 ppm2 0.954 CV 1 ASSI { 2145} (( segid " " and resid 12 and name HD3 )) (( segid " " and resid 12 and name HA )) 5.000 3.100 1.000 peak 2145 spectrum 1 weight 0.10000E+01 volume 0.56751E-03 ppm1 3.169 ppm2 3.960 CV 1 ASSI { 2150} (( segid " " and resid 13 and name HA )) (( segid " " and resid 13 and name HB2 )) 2.500 0.800 0.800 peak 2150 spectrum 1 weight 0.10000E+01 volume 0.75225E-02 ppm1 4.410 ppm2 3.037 CV 1 ASSI { 2151} (( segid " " and resid 13 and name HA )) (( segid " " and resid 13 and name HB3 )) 2.700 0.900 0.900 peak 2151 spectrum 1 weight 0.10000E+01 volume 0.47352E-02 ppm1 4.410 ppm2 2.931 CV 1 ASSI { 2155} (( segid " " and resid 13 and name HB2 )) (( segid " " and resid 13 and name HD22)) 4.500 2.500 1.500 peak 2155 spectrum 1 weight 0.10000E+01 volume 0.81899E-03 ppm1 3.038 ppm2 6.847 CV 1 ASSI { 2158} (( segid " " and resid 13 and name HB2 )) (( segid " " and resid 13 and name HN )) 3.200 1.200 1.200 peak 2158 spectrum 1 weight 0.10000E+01 volume 0.14270E-02 ppm1 3.038 ppm2 8.754 CV 1 ASSI { 2159} (( segid " " and resid 13 and name HB2 )) (( segid " " and resid 13 and name HB3 )) 1.500 0.300 0.700 peak 2159 spectrum 1 weight 0.10000E+01 volume 0.34632E-01 ppm1 3.038 ppm2 2.938 CV 1 ASSI { 2161} (( segid " " and resid 13 and name HB3 )) (( segid " " and resid 13 and name HD22)) 4.600 2.600 1.400 peak 2161 spectrum 1 weight 0.10000E+01 volume 0.79755E-03 ppm1 2.935 ppm2 6.844 CV 1 ASSI { 2164} (( segid " " and resid 14 and name HD2 )) (( segid " " and resid 14 and name HD3 )) 1.700 0.400 0.500 peak 2164 spectrum 1 weight 0.10000E+01 volume 0.99607E-02 ppm1 3.313 ppm2 3.103 CV 1 ASSI { 2165} (( segid " " and resid 14 and name HD2 )) (( segid " " and resid 14 and name HB2 )) 3.100 1.200 1.200 peak 2165 spectrum 1 weight 0.10000E+01 volume 0.16088E-02 ppm1 3.313 ppm2 1.948 CV 1 ASSI { 2166} (( segid " " and resid 14 and name HD2 )) (( segid " " and resid 14 and name HG3 )) 2.500 0.800 0.800 peak 2166 spectrum 1 weight 0.10000E+01 volume 0.50267E-02 ppm1 3.313 ppm2 1.749 CV 1 OR { 2166} (( segid " " and resid 14 and name HD2 )) (( segid " " and resid 14 and name HG2 )) ASSI { 2167} (( segid " " and resid 14 and name HD2 )) ( segid " " and resid 19 and name HG2%) 3.200 1.300 1.300 peak 2167 spectrum 1 weight 0.10000E+01 volume 0.11773E-02 ppm1 3.313 ppm2 0.962 CV 1 OR { 2167} (( segid " " and resid 14 and name HD2 )) ( segid " " and resid 19 and name HG1%) ASSI { 2169} (( segid " " and resid 14 and name HD3 )) (( segid " " and resid 18 and name HB2 )) 4.300 2.300 1.700 peak 2169 spectrum 1 weight 0.10000E+01 volume 0.72720E-03 ppm1 3.110 ppm2 2.833 CV 1 ASSI { 2170} (( segid " " and resid 14 and name HD3 )) (( segid " " and resid 14 and name HB2 )) 3.200 1.300 1.300 peak 2170 spectrum 1 weight 0.10000E+01 volume 0.16714E-02 ppm1 3.110 ppm2 1.957 CV 1 ASSI { 2171} (( segid " " and resid 14 and name HD3 )) (( segid " " and resid 14 and name HG2 )) 2.600 0.800 0.800 peak 2171 spectrum 1 weight 0.10000E+01 volume 0.37440E-02 ppm1 3.110 ppm2 1.749 CV 1 OR { 2171} (( segid " " and resid 14 and name HD3 )) (( segid " " and resid 14 and name HG3 )) ASSI { 2172} (( segid " " and resid 14 and name HD3 )) ( segid " " and resid 19 and name HG2%) 3.800 1.800 1.800 peak 2172 spectrum 1 weight 0.10000E+01 volume 0.13543E-02 ppm1 3.110 ppm2 0.959 CV 1 OR { 2172} (( segid " " and resid 14 and name HD3 )) ( segid " " and resid 19 and name HG1%) ASSI { 2173} (( segid " " and resid 14 and name HD2 )) (( segid " " and resid 18 and name HB2 )) 4.000 2.000 2.000 peak 2173 spectrum 1 weight 0.10000E+01 volume 0.67238E-03 ppm1 3.313 ppm2 2.832 CV 1 ASSI { 2174} (( segid " " and resid 14 and name HD2 )) (( segid " " and resid 14 and name HA )) 5.000 3.100 1.000 peak 2174 spectrum 1 weight 0.10000E+01 volume 0.54175E-03 ppm1 3.313 ppm2 4.559 CV 1 ASSI { 2176} (( segid " " and resid 14 and name HD3 )) (( segid " " and resid 14 and name HA )) 5.000 3.100 1.000 peak 2176 spectrum 1 weight 0.10000E+01 volume 0.52893E-03 ppm1 3.110 ppm2 4.567 CV 1 ASSI { 2178} (( segid " " and resid 14 and name HD2 )) (( segid " " and resid 14 and name HE )) 3.100 1.200 1.200 peak 2178 spectrum 1 weight 0.10000E+01 volume 0.14711E-02 ppm1 3.313 ppm2 7.066 CV 1 ASSI { 2180} (( segid " " and resid 14 and name HD3 )) (( segid " " and resid 14 and name HE )) 3.100 1.200 1.200 peak 2180 spectrum 1 weight 0.10000E+01 volume 0.12798E-02 ppm1 3.110 ppm2 7.077 CV 1 ASSI { 2184} (( segid " " and resid 14 and name HA )) ( segid " " and resid 15 and name HG2%) 4.300 2.300 1.700 peak 2184 spectrum 1 weight 0.10000E+01 volume 0.89295E-03 ppm1 4.566 ppm2 1.213 CV 1 ASSI { 2187} (( segid " " and resid 14 and name HG2 )) (( segid " " and resid 14 and name HB2 )) 3.200 1.300 1.300 peak 2187 spectrum 1 weight 0.10000E+01 volume 0.23134E-02 ppm1 1.763 ppm2 1.956 CV 1 ASSI { 2188} (( segid " " and resid 14 and name HG2 )) (( segid " " and resid 14 and name HD3 )) 3.100 1.200 1.200 peak 2188 spectrum 1 weight 0.10000E+01 volume 0.12261E-02 ppm1 1.763 ppm2 3.102 CV 1 ASSI { 2189} (( segid " " and resid 14 and name HG2 )) (( segid " " and resid 14 and name HD2 )) 3.200 1.300 1.300 peak 2189 spectrum 1 weight 0.10000E+01 volume 0.12947E-02 ppm1 1.763 ppm2 3.306 CV 1 ASSI { 2190} (( segid " " and resid 14 and name HG2 )) (( segid " " and resid 14 and name HA )) 3.500 1.500 1.500 peak 2190 spectrum 1 weight 0.10000E+01 volume 0.13907E-02 ppm1 1.763 ppm2 4.570 CV 1 ASSI { 2191} (( segid " " and resid 14 and name HG2 )) (( segid " " and resid 14 and name HE )) 3.400 1.500 1.500 peak 2191 spectrum 1 weight 0.10000E+01 volume 0.77791E-03 ppm1 1.763 ppm2 7.074 CV 1 ASSI { 2192} (( segid " " and resid 14 and name HG2 )) (( segid " " and resid 14 and name HN )) 3.000 1.200 1.200 peak 2192 spectrum 1 weight 0.10000E+01 volume 0.11719E-02 ppm1 1.763 ppm2 7.754 CV 1 ASSI { 2193} (( segid " " and resid 14 and name HG2 )) (( segid " " and resid 15 and name HN )) 4.700 2.700 1.300 peak 2193 spectrum 1 weight 0.10000E+01 volume 0.59477E-03 ppm1 1.763 ppm2 8.521 CV 1 ASSI { 2194} (( segid " " and resid 14 and name HG3 )) (( segid " " and resid 14 and name HB2 )) 2.600 0.800 0.800 peak 2194 spectrum 1 weight 0.10000E+01 volume 0.25935E-02 ppm1 1.727 ppm2 1.949 CV 1 ASSI { 2195} (( segid " " and resid 14 and name HG3 )) (( segid " " and resid 14 and name HD3 )) 3.200 1.300 1.300 peak 2195 spectrum 1 weight 0.10000E+01 volume 0.13257E-02 ppm1 1.727 ppm2 3.100 CV 1 ASSI { 2196} (( segid " " and resid 14 and name HG3 )) (( segid " " and resid 14 and name HD2 )) 2.900 1.000 1.000 peak 2196 spectrum 1 weight 0.10000E+01 volume 0.16988E-02 ppm1 1.727 ppm2 3.311 CV 1 ASSI { 2197} (( segid " " and resid 14 and name HG3 )) (( segid " " and resid 14 and name HA )) 3.600 1.600 1.600 peak 2197 spectrum 1 weight 0.10000E+01 volume 0.14944E-02 ppm1 1.727 ppm2 4.572 CV 1 ASSI { 2199} (( segid " " and resid 14 and name HG3 )) (( segid " " and resid 14 and name HE )) 3.500 1.500 1.500 peak 2199 spectrum 1 weight 0.10000E+01 volume 0.76117E-03 ppm1 1.727 ppm2 7.072 CV 1 ASSI { 2200} (( segid " " and resid 14 and name HG3 )) (( segid " " and resid 14 and name HN )) 3.300 1.300 1.300 peak 2200 spectrum 1 weight 0.10000E+01 volume 0.13430E-02 ppm1 1.727 ppm2 7.762 CV 1 ASSI { 2201} (( segid " " and resid 14 and name HG3 )) (( segid " " and resid 15 and name HN )) 4.600 2.600 1.400 peak 2201 spectrum 1 weight 0.10000E+01 volume 0.48152E-03 ppm1 1.727 ppm2 8.521 CV 1 ASSI { 2203} (( segid " " and resid 15 and name HB )) (( segid " " and resid 16 and name HD3 )) 3.100 1.200 1.200 peak 2203 spectrum 1 weight 0.10000E+01 volume 0.51871E-02 ppm1 4.288 ppm2 3.712 CV 1 ASSI { 2204} (( segid " " and resid 15 and name HB )) (( segid " " and resid 15 and name HA )) 2.400 0.700 0.700 peak 2204 spectrum 1 weight 0.10000E+01 volume 0.54942E-02 ppm1 4.288 ppm2 4.734 CV 1 ASSI { 2207} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 16 and name HD2 )) 3.800 1.800 1.800 peak 2207 spectrum 1 weight 0.10000E+01 volume 0.19969E-02 ppm1 1.222 ppm2 3.825 CV 1 ASSI { 2208} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 16 and name HD3 )) 3.900 1.900 1.900 peak 2208 spectrum 1 weight 0.10000E+01 volume 0.26740E-02 ppm1 1.222 ppm2 3.707 CV 1 ASSI { 2211} (( segid " " and resid 16 and name HA )) ( segid " " and resid 19 and name HG2%) 2.600 0.800 0.800 peak 2211 spectrum 1 weight 0.10000E+01 volume 0.44479E-02 ppm1 3.455 ppm2 0.963 CV 1 OR { 2211} (( segid " " and resid 16 and name HA )) ( segid " " and resid 19 and name HG1%) ASSI { 2214} (( segid " " and resid 16 and name HA )) (( segid " " and resid 16 and name HG2 )) 4.000 2.000 2.000 peak 2214 spectrum 1 weight 0.10000E+01 volume 0.14020E-02 ppm1 3.455 ppm2 1.855 CV 1 ASSI { 2215} (( segid " " and resid 16 and name HA )) (( segid " " and resid 19 and name HB )) 3.300 1.400 1.400 peak 2215 spectrum 1 weight 0.10000E+01 volume 0.90187E-03 ppm1 3.455 ppm2 2.301 CV 1 ASSI { 2221} (( segid " " and resid 16 and name HB2 )) (( segid " " and resid 16 and name HB3 )) 1.700 0.400 0.500 peak 2221 spectrum 1 weight 0.10000E+01 volume 0.67594E-02 ppm1 1.088 ppm2 0.356 CV 1 ASSI { 2223} (( segid " " and resid 16 and name HB2 )) (( segid " " and resid 16 and name HG3 )) 3.200 1.300 1.300 peak 2223 spectrum 1 weight 0.10000E+01 volume 0.22323E-02 ppm1 1.088 ppm2 1.487 CV 1 ASSI { 2225} (( segid " " and resid 16 and name HB2 )) (( segid " " and resid 16 and name HG2 )) 2.400 0.700 0.700 peak 2225 spectrum 1 weight 0.10000E+01 volume 0.25858E-02 ppm1 1.088 ppm2 1.842 CV 1 ASSI { 2228} (( segid " " and resid 16 and name HB2 )) (( segid " " and resid 16 and name HD3 )) 3.900 2.000 2.000 peak 2228 spectrum 1 weight 0.10000E+01 volume 0.11874E-02 ppm1 1.089 ppm2 3.709 CV 1 ASSI { 2230} (( segid " " and resid 16 and name HB2 )) (( segid " " and resid 15 and name HA )) 5.000 3.100 1.000 peak 2230 spectrum 1 weight 0.10000E+01 volume 0.61696E-03 ppm1 1.089 ppm2 4.722 CV 1 ASSI { 2240} (( segid " " and resid 16 and name HB3 )) (( segid " " and resid 16 and name HD3 )) 4.400 2.400 1.600 peak 2240 spectrum 1 weight 0.10000E+01 volume 0.71648E-03 ppm1 0.347 ppm2 3.693 CV 1 ASSI { 2243} (( segid " " and resid 16 and name HB3 )) (( segid " " and resid 17 and name HN )) 4.500 2.500 1.500 peak 2243 spectrum 1 weight 0.10000E+01 volume 0.73912E-03 ppm1 0.347 ppm2 7.810 CV 1 ASSI { 2247} (( segid " " and resid 16 and name HG2 )) (( segid " " and resid 40 and name HB3 )) 2.600 0.900 0.900 peak 2247 spectrum 1 weight 0.10000E+01 volume 0.14211E-02 ppm1 1.844 ppm2 1.656 CV 1 ASSI { 2248} (( segid " " and resid 16 and name HG2 )) (( segid " " and resid 16 and name HD3 )) 2.700 0.900 0.900 peak 2248 spectrum 1 weight 0.10000E+01 volume 0.31568E-02 ppm1 1.844 ppm2 3.703 CV 1 ASSI { 2249} (( segid " " and resid 16 and name HG2 )) (( segid " " and resid 16 and name HD2 )) 2.300 0.700 0.700 peak 2249 spectrum 1 weight 0.10000E+01 volume 0.29423E-02 ppm1 1.844 ppm2 3.818 CV 1 ASSI { 2250} (( segid " " and resid 16 and name HG2 )) (( segid " " and resid 15 and name HA )) 4.700 2.800 1.300 peak 2250 spectrum 1 weight 0.10000E+01 volume 0.11677E-02 ppm1 1.844 ppm2 4.726 CV 1 ASSI { 2256} (( segid " " and resid 16 and name HG3 )) (( segid " " and resid 16 and name HG2 )) 1.700 0.300 0.500 peak 2256 spectrum 1 weight 0.10000E+01 volume 0.87682E-02 ppm1 1.483 ppm2 1.858 CV 1 ASSI { 2257} (( segid " " and resid 16 and name HG3 )) (( segid " " and resid 16 and name HA )) 2.800 1.000 1.000 peak 2257 spectrum 1 weight 0.10000E+01 volume 0.24290E-02 ppm1 1.483 ppm2 3.449 CV 1 ASSI { 2258} (( segid " " and resid 16 and name HG3 )) (( segid " " and resid 16 and name HD3 )) 2.400 0.700 0.700 peak 2258 spectrum 1 weight 0.10000E+01 volume 0.25554E-02 ppm1 1.483 ppm2 3.704 CV 1 ASSI { 2259} (( segid " " and resid 16 and name HG3 )) (( segid " " and resid 16 and name HD2 )) 3.000 1.100 1.100 peak 2259 spectrum 1 weight 0.10000E+01 volume 0.25786E-02 ppm1 1.483 ppm2 3.818 CV 1 ASSI { 2260} (( segid " " and resid 16 and name HG3 )) (( segid " " and resid 15 and name HA )) 4.100 2.100 1.900 peak 2260 spectrum 1 weight 0.10000E+01 volume 0.20022E-02 ppm1 1.483 ppm2 4.734 CV 1 ASSI { 2261} (( segid " " and resid 16 and name HD3 )) (( segid " " and resid 16 and name HD2 )) 1.700 0.400 0.500 peak 2261 spectrum 1 weight 0.10000E+01 volume 0.62468E-02 ppm1 3.710 ppm2 3.833 CV 1 ASSI { 2272} (( segid " " and resid 16 and name HD2 )) (( segid " " and resid 16 and name HB2 )) 3.400 1.400 1.400 peak 2272 spectrum 1 weight 0.10000E+01 volume 0.77310E-03 ppm1 3.829 ppm2 1.098 CV 1 ASSI { 2274} (( segid " " and resid 16 and name HD2 )) (( segid " " and resid 16 and name HB3 )) 4.500 2.500 1.500 peak 2274 spectrum 1 weight 0.10000E+01 volume 0.65329E-03 ppm1 3.829 ppm2 0.348 CV 1 ASSI { 2278} (( segid " " and resid 108 and name HD2 )) (( segid " " and resid 108 and name HG2 )) 2.200 0.600 0.600 peak 2278 spectrum 1 weight 0.10000E+01 volume 0.58695E-02 ppm1 3.828 ppm2 2.058 CV 1 OR { 2278} (( segid " " and resid 108 and name HD2 )) (( segid " " and resid 108 and name HG3 )) ASSI { 2281} (( segid " " and resid 108 and name HD2 )) (( segid " " and resid 108 and name HD3 )) 1.600 0.300 0.600 peak 2281 spectrum 1 weight 0.10000E+01 volume 0.99783E-02 ppm1 3.828 ppm2 3.438 CV 1 ASSI { 2282} (( segid " " and resid 108 and name HD2 )) (( segid " " and resid 108 and name HA )) 3.900 1.900 1.900 peak 2282 spectrum 1 weight 0.10000E+01 volume 0.94536E-03 ppm1 3.828 ppm2 4.385 CV 1 ASSI { 2291} (( segid " " and resid 18 and name HB2 )) (( segid " " and resid 14 and name HB2 )) 3.200 1.300 1.300 peak 2291 spectrum 1 weight 0.10000E+01 volume 0.10008E-02 ppm1 2.841 ppm2 1.953 CV 1 ASSI { 2292} (( segid " " and resid 18 and name HB2 )) (( segid " " and resid 14 and name HG3 )) 4.200 2.200 1.800 peak 2292 spectrum 1 weight 0.10000E+01 volume 0.85718E-03 ppm1 2.841 ppm2 1.756 CV 1 OR { 2292} (( segid " " and resid 18 and name HB2 )) (( segid " " and resid 14 and name HG2 )) ASSI { 2294} (( segid " " and resid 18 and name HB2 )) ( segid " " and resid 19 and name HG2%) 3.600 1.600 1.600 peak 2294 spectrum 1 weight 0.10000E+01 volume 0.10861E-02 ppm1 2.841 ppm2 0.952 CV 1 ASSI { 2295} (( segid " " and resid 18 and name HB3 )) (( segid " " and resid 19 and name HN )) 4.000 2.000 2.000 peak 2295 spectrum 1 weight 0.10000E+01 volume 0.88699E-03 ppm1 2.764 ppm2 7.224 CV 1 ASSI { 2297} (( segid " " and resid 18 and name HB3 )) ( segid " " and resid 19 and name HG2%) 3.900 1.900 1.900 peak 2297 spectrum 1 weight 0.10000E+01 volume 0.11719E-02 ppm1 2.764 ppm2 0.961 CV 1 OR { 2297} (( segid " " and resid 18 and name HB3 )) ( segid " " and resid 19 and name HG1%) ASSI { 2298} (( segid " " and resid 18 and name HB3 )) (( segid " " and resid 14 and name HG3 )) 4.200 2.200 1.800 peak 2298 spectrum 1 weight 0.10000E+01 volume 0.79875E-03 ppm1 2.764 ppm2 1.766 CV 1 OR { 2298} (( segid " " and resid 18 and name HB3 )) (( segid " " and resid 14 and name HG2 )) ASSI { 2299} (( segid " " and resid 18 and name HB3 )) (( segid " " and resid 14 and name HB2 )) 3.300 1.400 1.400 peak 2299 spectrum 1 weight 0.10000E+01 volume 0.91675E-03 ppm1 2.764 ppm2 1.948 CV 1 ASSI { 2300} (( segid " " and resid 18 and name HB2 )) (( segid " " and resid 14 and name HB3 )) 4.000 2.000 2.000 peak 2300 spectrum 1 weight 0.10000E+01 volume 0.77014E-03 ppm1 2.841 ppm2 1.820 CV 1 ASSI { 2302} (( segid " " and resid 19 and name HB )) ( segid " " and resid 19 and name HG1%) 2.100 0.600 0.600 peak 2302 spectrum 1 weight 0.10000E+01 volume 0.11659E-01 ppm1 2.301 ppm2 0.978 CV 1 OR { 2302} (( segid " " and resid 19 and name HB )) ( segid " " and resid 19 and name HG2%) ASSI { 2305} (( segid " " and resid 19 and name HB )) (( segid " " and resid 19 and name HA )) 3.100 1.200 1.200 peak 2305 spectrum 1 weight 0.10000E+01 volume 0.16494E-02 ppm1 2.301 ppm2 3.841 CV 1 ASSI { 2308} (( segid " " and resid 19 and name HB )) ( segid " " and resid 41 and name HE% ) 3.500 1.500 1.500 peak 2308 spectrum 1 weight 0.10000E+01 volume 0.11052E-02 ppm1 2.301 ppm2 7.351 CV 1 ASSI { 2313} (( segid " " and resid 19 and name HB )) (( segid " " and resid 20 and name HN )) 4.500 2.600 1.500 peak 2313 spectrum 1 weight 0.10000E+01 volume 0.56550E-03 ppm1 2.301 ppm2 8.619 CV 1 ASSI { 2315} ( segid " " and resid 19 and name HG1%) (( segid " " and resid 22 and name HB3 )) 3.000 1.100 1.100 peak 2315 spectrum 1 weight 0.10000E+01 volume 0.53714E-02 ppm1 0.995 ppm2 1.308 CV 1 OR { 2315} ( segid " " and resid 19 and name HG1%) (( segid " " and resid 22 and name HG )) ASSI { 2317} ( segid " " and resid 19 and name HG1%) (( segid " " and resid 19 and name HB )) 2.200 0.600 0.600 peak 2317 spectrum 1 weight 0.10000E+01 volume 0.94301E-02 ppm1 0.995 ppm2 2.299 CV 1 ASSI { 2320} ( segid " " and resid 19 and name HG1%) (( segid " " and resid 16 and name HA )) 4.400 2.400 1.600 peak 2320 spectrum 1 weight 0.10000E+01 volume 0.88699E-03 ppm1 0.995 ppm2 3.445 CV 1 ASSI { 2321} ( segid " " and resid 19 and name HG1%) (( segid " " and resid 19 and name HA )) 2.400 0.700 0.700 peak 2321 spectrum 1 weight 0.10000E+01 volume 0.67534E-02 ppm1 0.995 ppm2 3.840 CV 1 ASSI { 2324} ( segid " " and resid 19 and name HG1%) (( segid " " and resid 22 and name HA )) 4.300 2.300 1.700 peak 2324 spectrum 1 weight 0.10000E+01 volume 0.90904E-03 ppm1 0.995 ppm2 4.641 CV 1 ASSI { 2326} ( segid " " and resid 19 and name HG1%) (( segid " " and resid 20 and name HA )) 3.800 1.800 1.800 peak 2326 spectrum 1 weight 0.10000E+01 volume 0.82556E-03 ppm1 0.995 ppm2 4.886 CV 1 ASSI { 2327} ( segid " " and resid 19 and name HG1%) (( segid " " and resid 21 and name HA )) 3.700 1.700 1.700 peak 2327 spectrum 1 weight 0.10000E+01 volume 0.79875E-03 ppm1 0.995 ppm2 5.463 CV 1 ASSI { 2329} ( segid " " and resid 19 and name HG1%) ( segid " " and resid 41 and name HE% ) 2.900 1.000 1.000 peak 2329 spectrum 1 weight 0.10000E+01 volume 0.26931E-02 ppm1 0.995 ppm2 7.359 CV 1 ASSI { 2330} ( segid " " and resid 19 and name HG1%) ( segid " " and resid 41 and name HD% ) 3.200 1.200 1.200 peak 2330 spectrum 1 weight 0.10000E+01 volume 0.20100E-02 ppm1 0.995 ppm2 7.489 CV 1 ASSI { 2331} ( segid " " and resid 19 and name HG1%) (( segid " " and resid 21 and name HN )) 2.500 0.800 0.800 peak 2331 spectrum 1 weight 0.10000E+01 volume 0.61276E-02 ppm1 0.995 ppm2 7.750 CV 1 ASSI { 2332} ( segid " " and resid 19 and name HG1%) (( segid " " and resid 20 and name HN )) 3.000 1.100 1.100 peak 2332 spectrum 1 weight 0.10000E+01 volume 0.38143E-02 ppm1 0.995 ppm2 8.621 CV 1 ASSI { 2333} ( segid " " and resid 19 and name HG2%) ( segid " " and resid 11 and name HD2%) 2.300 0.700 0.700 peak 2333 spectrum 1 weight 0.10000E+01 volume 0.65986E-02 ppm1 0.961 ppm2 0.770 CV 1 ASSI { 2334} ( segid " " and resid 19 and name HG2%) (( segid " " and resid 16 and name HB3 )) 4.300 2.300 1.700 peak 2334 spectrum 1 weight 0.10000E+01 volume 0.11659E-02 ppm1 0.961 ppm2 0.346 CV 1 ASSI { 2335} ( segid " " and resid 19 and name HG2%) (( segid " " and resid 14 and name HG3 )) 3.200 1.300 1.300 peak 2335 spectrum 1 weight 0.10000E+01 volume 0.14157E-02 ppm1 0.961 ppm2 1.736 CV 1 OR { 2335} ( segid " " and resid 19 and name HG2%) (( segid " " and resid 14 and name HG2 )) ASSI { 2338} ( segid " " and resid 19 and name HG2%) (( segid " " and resid 18 and name HB3 )) 2.700 2.700 3.300 peak 2338 spectrum 1 weight 0.10000E+01 volume 0.14002E-02 ppm1 0.961 ppm2 2.778 CV 1 ASSI { 2339} ( segid " " and resid 19 and name HG2%) (( segid " " and resid 14 and name HD3 )) 3.700 1.700 1.700 peak 2339 spectrum 1 weight 0.10000E+01 volume 0.14580E-02 ppm1 0.961 ppm2 3.104 CV 1 ASSI { 2340} ( segid " " and resid 19 and name HG2%) (( segid " " and resid 14 and name HD2 )) 3.200 1.300 1.300 peak 2340 spectrum 1 weight 0.10000E+01 volume 0.99427E-03 ppm1 0.961 ppm2 3.299 CV 1 ASSI { 2341} ( segid " " and resid 19 and name HG2%) (( segid " " and resid 16 and name HA )) 2.400 0.700 0.700 peak 2341 spectrum 1 weight 0.10000E+01 volume 0.48885E-02 ppm1 0.961 ppm2 3.457 CV 1 ASSI { 2342} ( segid " " and resid 19 and name HG2%) (( segid " " and resid 11 and name HA )) 3.800 1.800 1.800 peak 2342 spectrum 1 weight 0.10000E+01 volume 0.12893E-02 ppm1 0.961 ppm2 4.000 CV 1 ASSI { 2344} ( segid " " and resid 19 and name HG2%) ( segid " " and resid 41 and name HE% ) 3.100 1.200 1.200 peak 2344 spectrum 1 weight 0.10000E+01 volume 0.27009E-02 ppm1 0.961 ppm2 7.354 CV 1 ASSI { 2345} ( segid " " and resid 19 and name HG2%) ( segid " " and resid 41 and name HD% ) 3.700 1.700 1.700 peak 2345 spectrum 1 weight 0.10000E+01 volume 0.15653E-02 ppm1 0.961 ppm2 7.485 CV 1 ASSI { 2346} ( segid " " and resid 19 and name HG2%) (( segid " " and resid 21 and name HN )) 3.900 1.900 1.900 peak 2346 spectrum 1 weight 0.10000E+01 volume 0.15576E-02 ppm1 0.961 ppm2 7.747 CV 1 ASSI { 2349} ( segid " " and resid 19 and name HG2%) (( segid " " and resid 20 and name HN )) 4.100 2.100 1.900 peak 2349 spectrum 1 weight 0.10000E+01 volume 0.23295E-02 ppm1 0.961 ppm2 8.626 CV 1 ASSI { 2350} (( segid " " and resid 20 and name HB3 )) (( segid " " and resid 20 and name HG3 )) 2.500 0.800 0.800 peak 2350 spectrum 1 weight 0.10000E+01 volume 0.49731E-02 ppm1 1.902 ppm2 1.598 CV 1 OR { 2350} (( segid " " and resid 20 and name HB3 )) (( segid " " and resid 20 and name HG2 )) ASSI { 2351} (( segid " " and resid 20 and name HB3 )) (( segid " " and resid 20 and name HD3 )) 3.200 1.300 1.300 peak 2351 spectrum 1 weight 0.10000E+01 volume 0.17799E-02 ppm1 1.902 ppm2 1.758 CV 1 OR { 2351} (( segid " " and resid 20 and name HB3 )) (( segid " " and resid 20 and name HD2 )) ASSI { 2352} (( segid " " and resid 20 and name HB3 )) (( segid " " and resid 20 and name HB2 )) 1.600 0.300 0.600 peak 2352 spectrum 1 weight 0.10000E+01 volume 0.14067E-01 ppm1 1.902 ppm2 2.064 CV 1 ASSI { 2353} (( segid " " and resid 20 and name HB3 )) (( segid " " and resid 20 and name HE3 )) 3.900 1.900 1.900 peak 2353 spectrum 1 weight 0.10000E+01 volume 0.87086E-03 ppm1 1.902 ppm2 3.055 CV 1 OR { 2353} (( segid " " and resid 20 and name HB3 )) (( segid " " and resid 20 and name HE2 )) ASSI { 2354} (( segid " " and resid 20 and name HB3 )) (( segid " " and resid 19 and name HA )) 5.100 3.200 0.900 peak 2354 spectrum 1 weight 0.10000E+01 volume 0.65630E-03 ppm1 1.902 ppm2 3.839 CV 1 ASSI { 2355} (( segid " " and resid 20 and name HB3 )) ( segid " " and resid 19 and name HG1%) 4.700 2.800 1.300 peak 2355 spectrum 1 weight 0.10000E+01 volume 0.69979E-03 ppm1 1.902 ppm2 0.986 CV 1 OR { 2355} (( segid " " and resid 20 and name HB3 )) ( segid " " and resid 19 and name HG2%) ASSI { 2358} (( segid " " and resid 20 and name HB2 )) (( segid " " and resid 20 and name HD3 )) 3.200 1.200 1.200 peak 2358 spectrum 1 weight 0.10000E+01 volume 0.19152E-02 ppm1 2.069 ppm2 1.745 CV 1 OR { 2358} (( segid " " and resid 20 and name HB2 )) (( segid " " and resid 20 and name HD2 )) ASSI { 2359} (( segid " " and resid 20 and name HB2 )) (( segid " " and resid 20 and name HG2 )) 2.500 0.800 0.800 peak 2359 spectrum 1 weight 0.10000E+01 volume 0.53409E-02 ppm1 2.069 ppm2 1.596 CV 1 OR { 2359} (( segid " " and resid 20 and name HB2 )) (( segid " " and resid 20 and name HG3 )) ASSI { 2360} (( segid " " and resid 20 and name HB2 )) (( segid " " and resid 20 and name HE3 )) 3.800 1.900 1.900 peak 2360 spectrum 1 weight 0.10000E+01 volume 0.88699E-03 ppm1 2.069 ppm2 3.062 CV 1 OR { 2360} (( segid " " and resid 20 and name HB2 )) (( segid " " and resid 20 and name HE2 )) ASSI { 2361} (( segid " " and resid 20 and name HB2 )) (( segid " " and resid 19 and name HA )) 4.800 2.800 1.200 peak 2361 spectrum 1 weight 0.10000E+01 volume 0.65389E-03 ppm1 2.069 ppm2 3.845 CV 1 ASSI { 2365} (( segid " " and resid 20 and name HG2 )) (( segid " " and resid 20 and name HA )) 2.800 1.000 1.000 peak 2365 spectrum 1 weight 0.10000E+01 volume 0.30573E-02 ppm1 1.598 ppm2 4.889 CV 1 OR { 2365} (( segid " " and resid 20 and name HG3 )) (( segid " " and resid 20 and name HA )) ASSI { 2369} (( segid " " and resid 20 and name HD2 )) (( segid " " and resid 21 and name HN )) 4.600 2.700 1.400 peak 2369 spectrum 1 weight 0.10000E+01 volume 0.62709E-03 ppm1 1.783 ppm2 7.748 CV 1 ASSI { 2370} (( segid " " and resid 20 and name HD2 )) (( segid " " and resid 20 and name HN )) 4.600 2.600 1.400 peak 2370 spectrum 1 weight 0.10000E+01 volume 0.72008E-03 ppm1 1.783 ppm2 8.625 CV 1 ASSI { 2372} (( segid " " and resid 20 and name HD3 )) (( segid " " and resid 20 and name HN )) 4.300 2.300 1.700 peak 2372 spectrum 1 weight 0.10000E+01 volume 0.86134E-03 ppm1 1.734 ppm2 8.626 CV 1 ASSI { 2373} (( segid " " and resid 21 and name HA )) (( segid " " and resid 46 and name HB2 )) 4.400 2.400 1.600 peak 2373 spectrum 1 weight 0.10000E+01 volume 0.13561E-02 ppm1 5.470 ppm2 3.270 CV 1 ASSI { 2374} (( segid " " and resid 21 and name HA )) (( segid " " and resid 46 and name HB3 )) 2.900 1.000 1.000 peak 2374 spectrum 1 weight 0.10000E+01 volume 0.17257E-02 ppm1 5.470 ppm2 2.879 CV 1 ASSI { 2375} (( segid " " and resid 21 and name HA )) (( segid " " and resid 21 and name HG2 )) 3.200 1.200 1.200 peak 2375 spectrum 1 weight 0.10000E+01 volume 0.14252E-02 ppm1 5.470 ppm2 2.324 CV 1 ASSI { 2378} (( segid " " and resid 21 and name HA )) (( segid " " and resid 22 and name HB2 )) 4.100 2.100 1.900 peak 2378 spectrum 1 weight 0.10000E+01 volume 0.86850E-03 ppm1 5.470 ppm2 1.318 CV 1 OR { 2378} (( segid " " and resid 21 and name HA )) (( segid " " and resid 22 and name HB3 )) ASSI { 2383} (( segid " " and resid 21 and name HB2 )) (( segid " " and resid 46 and name HB2 )) 5.500 3.800 0.500 peak 2383 spectrum 1 weight 0.10000E+01 volume 0.10390E-02 ppm1 2.164 ppm2 3.264 CV 1 ASSI { 2384} (( segid " " and resid 21 and name HB2 )) (( segid " " and resid 46 and name HB3 )) 4.000 2.000 2.000 peak 2384 spectrum 1 weight 0.10000E+01 volume 0.14020E-02 ppm1 2.164 ppm2 2.883 CV 1 ASSI { 2387} (( segid " " and resid 21 and name HB3 )) (( segid " " and resid 21 and name HG3 )) 2.700 0.900 0.900 peak 2387 spectrum 1 weight 0.10000E+01 volume 0.66642E-02 ppm1 2.083 ppm2 2.285 CV 1 ASSI { 2388} (( segid " " and resid 21 and name HB3 )) (( segid " " and resid 46 and name HB3 )) 3.100 1.200 1.200 peak 2388 spectrum 1 weight 0.10000E+01 volume 0.13674E-02 ppm1 2.083 ppm2 2.881 CV 1 ASSI { 2389} (( segid " " and resid 21 and name HB3 )) (( segid " " and resid 46 and name HB2 )) 4.700 2.800 1.300 peak 2389 spectrum 1 weight 0.10000E+01 volume 0.94301E-03 ppm1 2.083 ppm2 3.266 CV 1 ASSI { 2394} (( segid " " and resid 21 and name HG3 )) (( segid " " and resid 46 and name HB3 )) 4.100 2.100 1.900 peak 2394 spectrum 1 weight 0.10000E+01 volume 0.14711E-02 ppm1 2.265 ppm2 2.883 CV 1 ASSI { 2395} (( segid " " and resid 21 and name HG3 )) (( segid " " and resid 46 and name HB2 )) 5.200 3.400 0.800 peak 2395 spectrum 1 weight 0.10000E+01 volume 0.11874E-02 ppm1 2.265 ppm2 3.267 CV 1 ASSI { 2396} (( segid " " and resid 21 and name HG3 )) (( segid " " and resid 20 and name HB3 )) 2.900 1.000 1.000 peak 2396 spectrum 1 weight 0.10000E+01 volume 0.12583E-02 ppm1 2.265 ppm2 1.901 CV 1 ASSI { 2397} (( segid " " and resid 21 and name HG3 )) ( segid " " and resid 46 and name HD% ) 4.900 3.100 1.100 peak 2397 spectrum 1 weight 0.10000E+01 volume 0.94121E-03 ppm1 2.265 ppm2 7.193 CV 1 ASSI { 2399} (( segid " " and resid 21 and name HG3 )) (( segid " " and resid 22 and name HN )) 5.300 3.500 0.700 peak 2399 spectrum 1 weight 0.10000E+01 volume 0.57092E-03 ppm1 2.265 ppm2 8.158 CV 1 ASSI { 2400} (( segid " " and resid 21 and name HG2 )) (( segid " " and resid 46 and name HB3 )) 2.700 0.900 0.900 peak 2400 spectrum 1 weight 0.10000E+01 volume 0.11093E-02 ppm1 2.337 ppm2 2.897 CV 1 ASSI { 2401} (( segid " " and resid 21 and name HG2 )) (( segid " " and resid 46 and name HB2 )) 3.900 1.900 1.900 peak 2401 spectrum 1 weight 0.10000E+01 volume 0.10837E-02 ppm1 2.337 ppm2 3.271 CV 1 ASSI { 2409} (( segid " " and resid 21 and name HG2 )) ( segid " " and resid 46 and name HD% ) 3.800 1.800 1.800 peak 2409 spectrum 1 weight 0.10000E+01 volume 0.71051E-03 ppm1 2.337 ppm2 7.195 CV 1 ASSI { 2412} (( segid " " and resid 22 and name HB2 )) (( segid " " and resid 23 and name HN )) 4.800 2.900 1.200 peak 2412 spectrum 1 weight 0.10000E+01 volume 0.68967E-03 ppm1 1.354 ppm2 9.043 CV 1 ASSI { 2413} (( segid " " and resid 22 and name HB3 )) (( segid " " and resid 23 and name HN )) 4.400 2.400 1.600 peak 2413 spectrum 1 weight 0.10000E+01 volume 0.88158E-03 ppm1 1.302 ppm2 9.025 CV 1 ASSI { 2415} (( segid " " and resid 22 and name HB2 )) (( segid " " and resid 10 and name HB3 )) 3.900 1.900 1.900 peak 2415 spectrum 1 weight 0.10000E+01 volume 0.69744E-03 ppm1 1.354 ppm2 1.990 CV 1 ASSI { 2416} (( segid " " and resid 22 and name HG )) (( segid " " and resid 22 and name HA )) 3.400 1.500 1.500 peak 2416 spectrum 1 weight 0.10000E+01 volume 0.12011E-02 ppm1 1.287 ppm2 4.638 CV 1 ASSI { 2419} ( segid " " and resid 60 and name HD2%) (( segid " " and resid 61 and name HD2 )) 3.000 1.200 1.200 peak 2419 spectrum 1 weight 0.10000E+01 volume 0.21048E-02 ppm1 0.717 ppm2 3.535 CV 1 OR { 2419} ( segid " " and resid 60 and name HD1%) (( segid " " and resid 61 and name HD2 )) ASSI { 2423} ( segid " " and resid 22 and name HD2%) (( segid " " and resid 22 and name HB3 )) 2.000 0.500 0.500 peak 2423 spectrum 1 weight 0.10000E+01 volume 0.24183E-01 ppm1 0.712 ppm2 1.327 CV 1 OR { 2423} ( segid " " and resid 22 and name HD1%) (( segid " " and resid 22 and name HB2 )) OR { 2423} ( segid " " and resid 22 and name HD2%) (( segid " " and resid 22 and name HB2 )) OR { 2423} ( segid " " and resid 22 and name HD1%) (( segid " " and resid 22 and name HB3 )) ASSI { 2424} ( segid " " and resid 60 and name HD1%) (( segid " " and resid 60 and name HB2 )) 2.300 0.700 0.700 peak 2424 spectrum 1 weight 0.10000E+01 volume 0.10378E-01 ppm1 0.712 ppm2 1.547 CV 1 OR { 2424} ( segid " " and resid 60 and name HD1%) (( segid " " and resid 60 and name HB3 )) OR { 2424} ( segid " " and resid 60 and name HD2%) (( segid " " and resid 60 and name HB2 )) OR { 2424} ( segid " " and resid 60 and name HD2%) (( segid " " and resid 60 and name HB3 )) ASSI { 2427} ( segid " " and resid 22 and name HD1%) (( segid " " and resid 10 and name HG2 )) 3.700 1.700 1.700 peak 2427 spectrum 1 weight 0.10000E+01 volume 0.14520E-02 ppm1 0.712 ppm2 2.482 CV 1 ASSI { 2428} ( segid " " and resid 60 and name HD1%) (( segid " " and resid 60 and name HG )) 2.200 0.600 0.600 peak 2428 spectrum 1 weight 0.10000E+01 volume 0.87146E-02 ppm1 0.712 ppm2 1.967 CV 1 OR { 2428} ( segid " " and resid 60 and name HD2%) (( segid " " and resid 60 and name HG )) ASSI { 2429} ( segid " " and resid 22 and name HD2%) (( segid " " and resid 7 and name HA )) 3.000 1.100 1.100 peak 2429 spectrum 1 weight 0.10000E+01 volume 0.22866E-02 ppm1 0.712 ppm2 3.428 CV 1 OR { 2429} ( segid " " and resid 22 and name HD1%) (( segid " " and resid 7 and name HA )) ASSI { 2431} ( segid " " and resid 22 and name HD2%) ( segid " " and resid 41 and name HD% ) 3.800 1.800 1.800 peak 2431 spectrum 1 weight 0.10000E+01 volume 0.14425E-02 ppm1 0.715 ppm2 7.489 CV 1 OR { 2431} ( segid " " and resid 22 and name HD1%) ( segid " " and resid 41 and name HD% ) ASSI { 2432} ( segid " " and resid 22 and name HD2%) ( segid " " and resid 41 and name HE% ) 2.900 1.100 1.100 peak 2432 spectrum 1 weight 0.10000E+01 volume 0.27813E-02 ppm1 0.715 ppm2 7.353 CV 1 OR { 2432} ( segid " " and resid 22 and name HD1%) ( segid " " and resid 41 and name HE% ) ASSI { 2433} (( segid " " and resid 23 and name HB )) ( segid " " and resid 23 and name HG1%) 2.200 0.600 0.600 peak 2433 spectrum 1 weight 0.10000E+01 volume 0.10801E-01 ppm1 2.036 ppm2 0.826 CV 1 OR { 2433} (( segid " " and resid 23 and name HB )) ( segid " " and resid 23 and name HG2%) ASSI { 2435} ( segid " " and resid 23 and name HG1%) (( segid " " and resid 23 and name HN )) 3.300 1.400 1.400 peak 2435 spectrum 1 weight 0.10000E+01 volume 0.28773E-02 ppm1 0.859 ppm2 9.032 CV 1 ASSI { 2436} ( segid " " and resid 23 and name HG1%) (( segid " " and resid 24 and name HN )) 3.000 1.100 1.100 peak 2436 spectrum 1 weight 0.10000E+01 volume 0.22293E-02 ppm1 0.859 ppm2 8.943 CV 1 ASSI { 2437} ( segid " " and resid 23 and name HG1%) (( segid " " and resid 23 and name HA )) 2.700 0.900 0.900 peak 2437 spectrum 1 weight 0.10000E+01 volume 0.48503E-02 ppm1 0.859 ppm2 4.184 CV 1 ASSI { 2438} ( segid " " and resid 23 and name HG1%) (( segid " " and resid 48 and name HB2 )) 2.600 0.800 0.800 peak 2438 spectrum 1 weight 0.10000E+01 volume 0.31223E-02 ppm1 0.859 ppm2 3.760 CV 1 ASSI { 2439} ( segid " " and resid 23 and name HG1%) (( segid " " and resid 48 and name HB3 )) 3.400 1.500 1.500 peak 2439 spectrum 1 weight 0.10000E+01 volume 0.22943E-02 ppm1 0.859 ppm2 3.313 CV 1 ASSI { 2440} ( segid " " and resid 23 and name HG1%) ( segid " " and resid 46 and name HE% ) 4.000 2.000 2.000 peak 2440 spectrum 1 weight 0.10000E+01 volume 0.11624E-02 ppm1 0.859 ppm2 7.181 CV 1 ASSI { 2441} ( segid " " and resid 23 and name HG1%) (( segid " " and resid 25 and name HN )) 2.700 0.900 0.900 peak 2441 spectrum 1 weight 0.10000E+01 volume 0.49957E-02 ppm1 0.859 ppm2 7.011 CV 1 ASSI { 2443} (( segid " " and resid 48 and name HB2 )) ( segid " " and resid 23 and name HG2%) 2.700 0.900 0.900 peak 2443 spectrum 1 weight 0.10000E+01 volume 0.20452E-02 ppm1 3.775 ppm2 0.828 CV 1 OR { 2443} (( segid " " and resid 48 and name HB2 )) ( segid " " and resid 23 and name HG1%) ASSI { 2444} (( segid " " and resid 48 and name HB3 )) ( segid " " and resid 23 and name HG1%) 3.800 1.800 1.800 peak 2444 spectrum 1 weight 0.10000E+01 volume 0.15957E-02 ppm1 3.311 ppm2 0.823 CV 1 OR { 2444} (( segid " " and resid 48 and name HB3 )) ( segid " " and resid 23 and name HG2%) ASSI { 2445} (( segid " " and resid 48 and name HB2 )) (( segid " " and resid 23 and name HA )) 3.300 1.400 1.400 peak 2445 spectrum 1 weight 0.10000E+01 volume 0.15707E-02 ppm1 3.775 ppm2 4.172 CV 1 ASSI { 2446} (( segid " " and resid 48 and name HB2 )) (( segid " " and resid 48 and name HB3 )) 2.000 0.500 0.500 peak 2446 spectrum 1 weight 0.10000E+01 volume 0.30609E-02 ppm1 3.775 ppm2 3.308 CV 1 ASSI { 2448} (( segid " " and resid 48 and name HB3 )) (( segid " " and resid 23 and name HA )) 4.200 2.200 1.800 peak 2448 spectrum 1 weight 0.10000E+01 volume 0.14425E-02 ppm1 3.311 ppm2 4.184 CV 1 ASSI { 2449} ( segid " " and resid 23 and name HG1%) (( segid " " and resid 48 and name HA )) 4.500 2.600 1.500 peak 2449 spectrum 1 weight 0.10000E+01 volume 0.84941E-03 ppm1 0.859 ppm2 5.165 CV 1 ASSI { 2450} ( segid " " and resid 23 and name HG2%) (( segid " " and resid 23 and name HB )) 2.100 0.600 0.600 peak 2450 spectrum 1 weight 0.10000E+01 volume 0.13102E-01 ppm1 0.795 ppm2 2.036 CV 1 ASSI { 2452} ( segid " " and resid 23 and name HG2%) (( segid " " and resid 48 and name HB3 )) 3.600 1.600 1.600 peak 2452 spectrum 1 weight 0.10000E+01 volume 0.30227E-02 ppm1 0.795 ppm2 3.317 CV 1 ASSI { 2453} ( segid " " and resid 23 and name HG2%) (( segid " " and resid 48 and name HB2 )) 2.500 0.800 0.800 peak 2453 spectrum 1 weight 0.10000E+01 volume 0.29959E-02 ppm1 0.795 ppm2 3.770 CV 1 ASSI { 2454} ( segid " " and resid 23 and name HG2%) (( segid " " and resid 22 and name HA )) 3.600 1.700 1.700 peak 2454 spectrum 1 weight 0.10000E+01 volume 0.14252E-02 ppm1 0.795 ppm2 4.635 CV 1 ASSI { 2455} ( segid " " and resid 23 and name HG2%) ( segid " " and resid 46 and name HE% ) 2.800 1.000 1.000 peak 2455 spectrum 1 weight 0.10000E+01 volume 0.40581E-02 ppm1 0.795 ppm2 7.195 CV 1 OR { 2455} ( segid " " and resid 23 and name HG2%) ( segid " " and resid 46 and name HD% ) ASSI { 2457} ( segid " " and resid 23 and name HG2%) (( segid " " and resid 46 and name HZ )) 3.900 1.900 1.900 peak 2457 spectrum 1 weight 0.10000E+01 volume 0.93705E-03 ppm1 0.795 ppm2 7.366 CV 1 ASSI { 2459} ( segid " " and resid 23 and name HG1%) ( segid " " and resid 37 and name HD1%) 3.500 3.500 2.500 peak 2459 spectrum 1 weight 0.10000E+01 volume 0.21238E-02 ppm1 0.859 ppm2 0.245 CV 1 OR { 2459} ( segid " " and resid 23 and name HG1%) ( segid " " and resid 37 and name HD2%) ASSI { 2461} (( segid " " and resid 24 and name HB2 )) (( segid " " and resid 24 and name HG )) 3.000 1.100 1.100 peak 2461 spectrum 1 weight 0.10000E+01 volume 0.16356E-02 ppm1 1.644 ppm2 1.374 CV 1 OR { 2461} (( segid " " and resid 24 and name HB3 )) (( segid " " and resid 24 and name HG )) ASSI { 2463} (( segid " " and resid 24 and name HB3 )) ( segid " " and resid 24 and name HD1%) 2.700 0.900 0.900 peak 2463 spectrum 1 weight 0.10000E+01 volume 0.53714E-02 ppm1 1.644 ppm2 0.706 CV 1 OR { 2463} (( segid " " and resid 24 and name HB2 )) ( segid " " and resid 24 and name HD1%) OR { 2463} (( segid " " and resid 24 and name HB3 )) ( segid " " and resid 24 and name HD2%) OR { 2463} (( segid " " and resid 24 and name HB2 )) ( segid " " and resid 24 and name HD2%) ASSI { 2464} (( segid " " and resid 24 and name HB2 )) (( segid " " and resid 49 and name HA )) 3.400 1.400 1.400 peak 2464 spectrum 1 weight 0.10000E+01 volume 0.11063E-02 ppm1 1.643 ppm2 4.261 CV 1 OR { 2464} (( segid " " and resid 24 and name HB3 )) (( segid " " and resid 49 and name HA )) ASSI { 2466} (( segid " " and resid 69 and name HB2 )) ( segid " " and resid 66 and name HD1%) 3.300 1.300 1.300 peak 2466 spectrum 1 weight 0.10000E+01 volume 0.99011E-03 ppm1 2.011 ppm2 1.031 CV 1 ASSI { 2467} (( segid " " and resid 69 and name HB2 )) (( segid " " and resid 69 and name HB3 )) 1.900 0.500 0.500 peak 2467 spectrum 1 weight 0.10000E+01 volume 0.54170E-02 ppm1 2.011 ppm2 1.359 CV 1 OR { 2467} (( segid " " and resid 69 and name HB2 )) (( segid " " and resid 69 and name HG )) ASSI { 2469} (( segid " " and resid 69 and name HB3 )) ( segid " " and resid 66 and name HD1%) 4.000 2.000 2.000 peak 2469 spectrum 1 weight 0.10000E+01 volume 0.12261E-02 ppm1 1.351 ppm2 1.041 CV 1 ASSI { 2470} (( segid " " and resid 69 and name HB3 )) (( segid " " and resid 69 and name HB2 )) 2.100 0.500 0.500 peak 2470 spectrum 1 weight 0.10000E+01 volume 0.29536E-02 ppm1 1.351 ppm2 2.008 CV 1 ASSI { 2473} ( segid " " and resid 69 and name HD1%) (( segid " " and resid 69 and name HA )) 3.400 1.400 1.400 peak 2473 spectrum 1 weight 0.10000E+01 volume 0.16529E-02 ppm1 0.806 ppm2 5.411 CV 1 ASSI { 2475} ( segid " " and resid 69 and name HD1%) (( segid " " and resid 70 and name HN )) 3.900 1.900 1.900 peak 2475 spectrum 1 weight 0.10000E+01 volume 0.75641E-03 ppm1 0.806 ppm2 8.929 CV 1 ASSI { 2477} ( segid " " and resid 69 and name HD2%) ( segid " " and resid 47 and name HD1%) 2.300 0.600 0.600 peak 2477 spectrum 1 weight 0.10000E+01 volume 0.12047E-01 ppm1 0.868 ppm2 0.518 CV 1 ASSI { 2478} ( segid " " and resid 69 and name HD2%) ( segid " " and resid 37 and name HD2%) 2.500 0.800 0.800 peak 2478 spectrum 1 weight 0.10000E+01 volume 0.19939E-02 ppm1 0.868 ppm2 0.254 CV 1 OR { 2478} ( segid " " and resid 69 and name HD2%) ( segid " " and resid 37 and name HD1%) ASSI { 2479} ( segid " " and resid 69 and name HD2%) (( segid " " and resid 69 and name HG )) 2.000 0.500 0.500 peak 2479 spectrum 1 weight 0.10000E+01 volume 0.16690E-01 ppm1 0.868 ppm2 1.361 CV 1 OR { 2479} ( segid " " and resid 69 and name HD2%) (( segid " " and resid 69 and name HB3 )) ASSI { 2481} ( segid " " and resid 69 and name HD2%) (( segid " " and resid 69 and name HB2 )) 2.700 0.900 0.900 peak 2481 spectrum 1 weight 0.10000E+01 volume 0.48658E-02 ppm1 0.868 ppm2 2.005 CV 1 ASSI { 2482} ( segid " " and resid 60 and name HD2%) ( segid " " and resid 37 and name HD2%) 2.500 0.800 0.800 peak 2482 spectrum 1 weight 0.10000E+01 volume 0.61100E-02 ppm1 0.707 ppm2 0.243 CV 1 OR { 2482} ( segid " " and resid 60 and name HD1%) ( segid " " and resid 37 and name HD2%) ASSI { 2485} ( segid " " and resid 24 and name HD1%) (( segid " " and resid 24 and name HG )) 2.100 0.600 0.600 peak 2485 spectrum 1 weight 0.10000E+01 volume 0.12691E-01 ppm1 0.707 ppm2 1.341 CV 1 ASSI { 2486} ( segid " " and resid 24 and name HD1%) (( segid " " and resid 24 and name HB3 )) 2.400 0.700 0.700 peak 2486 spectrum 1 weight 0.10000E+01 volume 0.80707E-02 ppm1 0.707 ppm2 1.655 CV 1 OR { 2486} ( segid " " and resid 24 and name HD1%) (( segid " " and resid 24 and name HB2 )) ASSI { 2488} ( segid " " and resid 60 and name HD1%) (( segid " " and resid 82 and name HB )) 3.700 1.700 1.700 peak 2488 spectrum 1 weight 0.10000E+01 volume 0.14020E-02 ppm1 0.707 ppm2 2.156 CV 1 ASSI { 2489} ( segid " " and resid 60 and name HD1%) (( segid " " and resid 57 and name HB )) 3.000 1.100 1.100 peak 2489 spectrum 1 weight 0.10000E+01 volume 0.19206E-02 ppm1 0.707 ppm2 2.305 CV 1 OR { 2489} ( segid " " and resid 60 and name HD2%) (( segid " " and resid 57 and name HB )) ASSI { 2490} ( segid " " and resid 24 and name HD1%) (( segid " " and resid 3 and name HG3 )) 2.700 0.900 0.900 peak 2490 spectrum 1 weight 0.10000E+01 volume 0.24672E-02 ppm1 0.707 ppm2 2.486 CV 1 ASSI { 2491} ( segid " " and resid 24 and name HD1%) (( segid " " and resid 3 and name HG2 )) 3.800 1.800 1.800 peak 2491 spectrum 1 weight 0.10000E+01 volume 0.96566E-03 ppm1 0.707 ppm2 2.831 CV 1 ASSI { 2492} ( segid " " and resid 24 and name HD1%) (( segid " " and resid 7 and name HA )) 3.700 1.800 1.800 peak 2492 spectrum 1 weight 0.10000E+01 volume 0.14175E-02 ppm1 0.707 ppm2 3.416 CV 1 ASSI { 2495} ( segid " " and resid 24 and name HD1%) (( segid " " and resid 24 and name HA )) 4.000 2.000 2.000 peak 2495 spectrum 1 weight 0.10000E+01 volume 0.11498E-02 ppm1 0.707 ppm2 4.411 CV 1 ASSI { 2499} ( segid " " and resid 60 and name HD1%) (( segid " " and resid 84 and name HN )) 4.100 2.100 1.900 peak 2499 spectrum 1 weight 0.10000E+01 volume 0.76117E-03 ppm1 0.707 ppm2 7.367 CV 1 ASSI { 2501} ( segid " " and resid 24 and name HD1%) (( segid " " and resid 7 and name HN )) 4.000 2.000 2.000 peak 2501 spectrum 1 weight 0.10000E+01 volume 0.98590E-03 ppm1 0.707 ppm2 8.443 CV 1 ASSI { 2502} ( segid " " and resid 24 and name HD1%) (( segid " " and resid 24 and name HN )) 4.000 2.000 2.000 peak 2502 spectrum 1 weight 0.10000E+01 volume 0.10861E-02 ppm1 0.707 ppm2 8.946 CV 1 ASSI { 2503} ( segid " " and resid 24 and name HD1%) (( segid " " and resid 23 and name HN )) 3.800 1.800 1.800 peak 2503 spectrum 1 weight 0.10000E+01 volume 0.12434E-02 ppm1 0.707 ppm2 9.032 CV 1 ASSI { 2504} ( segid " " and resid 103 and name HD2%) (( segid " " and resid 134 and name HN )) 4.400 2.400 1.600 peak 2504 spectrum 1 weight 0.10000E+01 volume 0.98891E-03 ppm1 0.705 ppm2 8.603 CV 1 ASSI { 2513} ( segid " " and resid 24 and name HD2%) (( segid " " and resid 7 and name HA )) 3.000 1.100 1.100 peak 2513 spectrum 1 weight 0.10000E+01 volume 0.30877E-02 ppm1 0.705 ppm2 3.426 CV 1 ASSI { 2515} ( segid " " and resid 103 and name HD2%) (( segid " " and resid 134 and name HB2 )) 2.800 0.900 0.900 peak 2515 spectrum 1 weight 0.10000E+01 volume 0.29464E-02 ppm1 0.705 ppm2 2.896 CV 1 ASSI { 2516} ( segid " " and resid 103 and name HD2%) (( segid " " and resid 134 and name HB3 )) 2.800 1.000 1.000 peak 2516 spectrum 1 weight 0.10000E+01 volume 0.49880E-02 ppm1 0.705 ppm2 2.464 CV 1 ASSI { 2523} ( segid " " and resid 47 and name HD2%) ( segid " " and resid 37 and name HD2%) 2.900 1.000 1.000 peak 2523 spectrum 1 weight 0.10000E+01 volume 0.58159E-02 ppm1 0.705 ppm2 0.249 CV 1 OR { 2523} ( segid " " and resid 47 and name HD2%) ( segid " " and resid 37 and name HD1%) ASSI { 2524} ( segid " " and resid 47 and name HD2%) (( segid " " and resid 47 and name HA )) 3.000 1.100 1.100 peak 2524 spectrum 1 weight 0.10000E+01 volume 0.49809E-02 ppm1 0.705 ppm2 4.981 CV 1 ASSI { 2531} (( segid " " and resid 25 and name HB3 )) (( segid " " and resid 25 and name HB2 )) 2.100 0.500 0.500 peak 2531 spectrum 1 weight 0.10000E+01 volume 0.57237E-02 ppm1 2.420 ppm2 2.519 CV 1 ASSI { 2537} (( segid " " and resid 25 and name HB2 )) ( segid " " and resid 23 and name HG1%) 3.600 1.600 1.600 peak 2537 spectrum 1 weight 0.10000E+01 volume 0.83989E-03 ppm1 2.529 ppm2 0.855 CV 1 ASSI { 2539} (( segid " " and resid 25 and name HB3 )) ( segid " " and resid 23 and name HG1%) 4.300 2.300 1.700 peak 2539 spectrum 1 weight 0.10000E+01 volume 0.45779E-03 ppm1 2.422 ppm2 0.855 CV 1 ASSI { 2542} (( segid " " and resid 26 and name HB2 )) (( segid " " and resid 26 and name HB3 )) 1.900 0.400 0.400 peak 2542 spectrum 1 weight 0.10000E+01 volume 0.10759E-01 ppm1 3.141 ppm2 2.968 CV 1 ASSI { 2545} (( segid " " and resid 27 and name HB3 )) (( segid " " and resid 27 and name HB2 )) 2.400 0.700 0.700 peak 2545 spectrum 1 weight 0.10000E+01 volume 0.22269E-02 ppm1 2.861 ppm2 3.141 CV 1 ASSI { 2547} (( segid " " and resid 28 and name HB2 )) (( segid " " and resid 28 and name HB3 )) 1.900 0.400 0.400 peak 2547 spectrum 1 weight 0.10000E+01 volume 0.71112E-02 ppm1 1.729 ppm2 1.584 CV 1 ASSI { 2549} (( segid " " and resid 28 and name HB3 )) (( segid " " and resid 2 and name HA )) 3.000 3.000 3.000 peak 2549 spectrum 1 weight 0.10000E+01 volume 0.15307E-02 ppm1 1.580 ppm2 4.547 CV 1 ASSI { 2550} (( segid " " and resid 28 and name HB3 )) (( segid " " and resid 28 and name HG3 )) 2.500 0.800 0.800 peak 2550 spectrum 1 weight 0.10000E+01 volume 0.53178E-02 ppm1 1.578 ppm2 1.372 CV 1 OR { 2550} (( segid " " and resid 28 and name HB3 )) (( segid " " and resid 28 and name HG2 )) ASSI { 2551} (( segid " " and resid 28 and name HB2 )) (( segid " " and resid 28 and name HG2 )) 2.900 1.000 1.000 peak 2551 spectrum 1 weight 0.10000E+01 volume 0.27199E-02 ppm1 1.729 ppm2 1.373 CV 1 OR { 2551} (( segid " " and resid 28 and name HB2 )) (( segid " " and resid 28 and name HG3 )) ASSI { 2553} (( segid " " and resid 28 and name HB3 )) (( segid " " and resid 29 and name HN )) 4.000 2.000 2.000 peak 2553 spectrum 1 weight 0.10000E+01 volume 0.89295E-03 ppm1 1.580 ppm2 8.470 CV 1 ASSI { 2554} (( segid " " and resid 29 and name HB3 )) (( segid " " and resid 29 and name HN )) 3.300 1.300 1.300 peak 2554 spectrum 1 weight 0.10000E+01 volume 0.12184E-02 ppm1 3.591 ppm2 8.469 CV 1 ASSI { 2555} (( segid " " and resid 29 and name HB3 )) (( segid " " and resid 29 and name HB2 )) 2.100 0.600 0.600 peak 2555 spectrum 1 weight 0.10000E+01 volume 0.40313E-02 ppm1 3.591 ppm2 3.899 CV 1 ASSI { 2562} (( segid " " and resid 29 and name HB3 )) (( segid " " and resid 52 and name HB )) 3.700 1.700 1.700 peak 2562 spectrum 1 weight 0.10000E+01 volume 0.66882E-03 ppm1 3.591 ppm2 2.235 CV 1 ASSI { 2563} (( segid " " and resid 33 and name HG2 )) (( segid " " and resid 33 and name HB3 )) 2.700 0.900 0.900 peak 2563 spectrum 1 weight 0.10000E+01 volume 0.32642E-02 ppm1 1.324 ppm2 1.756 CV 1 OR { 2563} (( segid " " and resid 33 and name HG3 )) (( segid " " and resid 33 and name HB2 )) OR { 2563} (( segid " " and resid 33 and name HG2 )) (( segid " " and resid 33 and name HB2 )) OR { 2563} (( segid " " and resid 33 and name HG3 )) (( segid " " and resid 33 and name HB3 )) ASSI { 2570} (( segid " " and resid 33 and name HD3 )) (( segid " " and resid 59 and name HB2 )) 3.200 3.200 2.800 peak 2570 spectrum 1 weight 0.10000E+01 volume 0.31032E-02 ppm1 1.529 ppm2 2.922 CV 1 ASSI { 2571} (( segid " " and resid 33 and name HD3 )) (( segid " " and resid 33 and name HG2 )) 2.400 0.700 0.700 peak 2571 spectrum 1 weight 0.10000E+01 volume 0.74689E-02 ppm1 1.529 ppm2 1.321 CV 1 OR { 2571} (( segid " " and resid 33 and name HD3 )) (( segid " " and resid 33 and name HG3 )) ASSI { 2572} ( segid " " and resid 34 and name HG2%) ( segid " " and resid 37 and name HD1%) 2.700 0.900 0.900 peak 2572 spectrum 1 weight 0.10000E+01 volume 0.53023E-02 ppm1 0.725 ppm2 0.242 CV 1 OR { 2572} ( segid " " and resid 34 and name HG2%) ( segid " " and resid 37 and name HD2%) ASSI { 2573} ( segid " " and resid 34 and name HD1%) ( segid " " and resid 37 and name HD1%) 3.500 1.600 1.600 peak 2573 spectrum 1 weight 0.10000E+01 volume 0.13811E-02 ppm1 0.711 ppm2 0.246 CV 1 OR { 2573} ( segid " " and resid 34 and name HD1%) ( segid " " and resid 37 and name HD2%) ASSI { 2574} ( segid " " and resid 34 and name HD1%) ( segid " " and resid 47 and name HD1%) 3.700 1.700 1.700 peak 2574 spectrum 1 weight 0.10000E+01 volume 0.15725E-02 ppm1 0.711 ppm2 0.510 CV 1 ASSI { 2575} ( segid " " and resid 34 and name HG2%) ( segid " " and resid 47 and name HD1%) 4.400 2.400 1.600 peak 2575 spectrum 1 weight 0.10000E+01 volume 0.11874E-02 ppm1 0.725 ppm2 0.510 CV 1 ASSI { 2576} ( segid " " and resid 34 and name HG2%) (( segid " " and resid 34 and name HA )) 2.800 1.000 1.000 peak 2576 spectrum 1 weight 0.10000E+01 volume 0.24749E-02 ppm1 0.725 ppm2 3.810 CV 1 ASSI { 2577} ( segid " " and resid 34 and name HG2%) (( segid " " and resid 60 and name HA )) 3.900 1.900 1.900 peak 2577 spectrum 1 weight 0.10000E+01 volume 0.11540E-02 ppm1 0.725 ppm2 3.982 CV 1 ASSI { 2578} ( segid " " and resid 34 and name HD1%) (( segid " " and resid 34 and name HA )) 4.600 2.600 1.400 peak 2578 spectrum 1 weight 0.10000E+01 volume 0.83453E-03 ppm1 0.711 ppm2 3.810 CV 1 ASSI { 2579} ( segid " " and resid 34 and name HD1%) (( segid " " and resid 60 and name HA )) 3.600 1.600 1.600 peak 2579 spectrum 1 weight 0.10000E+01 volume 0.77670E-03 ppm1 0.711 ppm2 3.995 CV 1 ASSI { 2581} ( segid " " and resid 34 and name HG2%) (( segid " " and resid 37 and name HB2 )) 2.400 0.700 0.700 peak 2581 spectrum 1 weight 0.10000E+01 volume 0.34245E-02 ppm1 0.725 ppm2 1.239 CV 1 ASSI { 2582} ( segid " " and resid 34 and name HG2%) (( segid " " and resid 34 and name HB )) 2.400 0.700 0.700 peak 2582 spectrum 1 weight 0.10000E+01 volume 0.70991E-02 ppm1 0.725 ppm2 1.689 CV 1 OR { 2582} ( segid " " and resid 34 and name HG2%) (( segid " " and resid 34 and name HG13)) OR { 2582} ( segid " " and resid 34 and name HG2%) (( segid " " and resid 34 and name HG12)) ASSI { 2584} ( segid " " and resid 34 and name HD1%) (( segid " " and resid 34 and name HG13)) 2.600 0.800 0.800 peak 2584 spectrum 1 weight 0.10000E+01 volume 0.40527E-02 ppm1 0.711 ppm2 1.689 CV 1 OR { 2584} ( segid " " and resid 34 and name HD1%) (( segid " " and resid 34 and name HG12)) OR { 2584} ( segid " " and resid 34 and name HD1%) (( segid " " and resid 34 and name HB )) ASSI { 2589} ( segid " " and resid 34 and name HG2%) (( segid " " and resid 61 and name HD2 )) 4.600 2.700 1.400 peak 2589 spectrum 1 weight 0.10000E+01 volume 0.10079E-02 ppm1 0.725 ppm2 3.531 CV 1 ASSI { 2591} ( segid " " and resid 34 and name HG2%) (( segid " " and resid 61 and name HD3 )) 4.400 2.500 1.600 peak 2591 spectrum 1 weight 0.10000E+01 volume 0.57969E-03 ppm1 0.725 ppm2 3.206 CV 1 ASSI { 2592} (( segid " " and resid 29 and name HB3 )) (( segid " " and resid 29 and name HA )) 3.400 1.500 1.500 peak 2592 spectrum 1 weight 0.10000E+01 volume 0.83989E-03 ppm1 3.591 ppm2 4.428 CV 1 ASSI { 2593} (( segid " " and resid 29 and name HB2 )) (( segid " " and resid 29 and name HA )) 3.500 1.500 1.500 peak 2593 spectrum 1 weight 0.10000E+01 volume 0.75942E-03 ppm1 3.898 ppm2 4.433 CV 1 ASSI { 2596} (( segid " " and resid 28 and name HB2 )) (( segid " " and resid 2 and name HA )) 3.800 1.800 1.800 peak 2596 spectrum 1 weight 0.10000E+01 volume 0.66462E-03 ppm1 1.729 ppm2 4.558 CV 1 ASSI { 2597} ( segid " " and resid 34 and name HG2%) (( segid " " and resid 37 and name HA )) 4.600 2.700 1.400 peak 2597 spectrum 1 weight 0.10000E+01 volume 0.66938E-03 ppm1 0.725 ppm2 4.251 CV 1 ASSI { 2598} ( segid " " and resid 34 and name HG2%) (( segid " " and resid 35 and name HA )) 4.200 2.200 1.800 peak 2598 spectrum 1 weight 0.10000E+01 volume 0.97398E-03 ppm1 0.725 ppm2 4.674 CV 1 ASSI { 2599} ( segid " " and resid 34 and name HG2%) (( segid " " and resid 37 and name HN )) 2.500 0.800 0.800 peak 2599 spectrum 1 weight 0.10000E+01 volume 0.27933E-02 ppm1 0.725 ppm2 7.107 CV 1 ASSI { 2600} ( segid " " and resid 34 and name HG2%) (( segid " " and resid 41 and name HZ )) 4.300 2.300 1.700 peak 2600 spectrum 1 weight 0.10000E+01 volume 0.94121E-03 ppm1 0.725 ppm2 7.242 CV 1 ASSI { 2601} ( segid " " and resid 34 and name HG2%) (( segid " " and resid 36 and name HN )) 3.600 1.700 1.700 peak 2601 spectrum 1 weight 0.10000E+01 volume 0.62172E-03 ppm1 0.725 ppm2 8.323 CV 1 ASSI { 2602} (( segid " " and resid 32 and name HA1 )) (( segid " " and resid 32 and name HA2 )) 2.200 0.600 0.600 peak 2602 spectrum 1 weight 0.10000E+01 volume 0.44211E-02 ppm1 4.443 ppm2 3.995 CV 1 ASSI { 2604} (( segid " " and resid 33 and name HG2 )) (( segid " " and resid 33 and name HA )) 3.600 1.600 1.600 peak 2604 spectrum 1 weight 0.10000E+01 volume 0.65154E-03 ppm1 1.323 ppm2 5.093 CV 1 OR { 2604} (( segid " " and resid 33 and name HG3 )) (( segid " " and resid 33 and name HA )) ASSI { 2611} ( segid " " and resid 30 and name HG2%) (( segid " " and resid 31 and name HN )) 3.400 1.400 1.400 peak 2611 spectrum 1 weight 0.10000E+01 volume 0.17471E-02 ppm1 0.956 ppm2 9.397 CV 1 ASSI { 2612} (( segid " " and resid 31 and name HG2 )) (( segid " " and resid 31 and name HN )) 3.500 1.500 1.500 peak 2612 spectrum 1 weight 0.10000E+01 volume 0.11421E-02 ppm1 2.307 ppm2 9.397 CV 1 ASSI { 2614} (( segid " " and resid 31 and name HG3 )) (( segid " " and resid 31 and name HN )) 3.900 1.900 1.900 peak 2614 spectrum 1 weight 0.10000E+01 volume 0.11874E-02 ppm1 2.210 ppm2 9.403 CV 1 ASSI { 2615} ( segid " " and resid 30 and name HG2%) (( segid " " and resid 30 and name HG13)) 2.700 0.900 0.900 peak 2615 spectrum 1 weight 0.10000E+01 volume 0.55859E-02 ppm1 0.956 ppm2 1.459 CV 1 ASSI { 2617} ( segid " " and resid 30 and name HG2%) (( segid " " and resid 30 and name HB )) 2.300 0.700 0.700 peak 2617 spectrum 1 weight 0.10000E+01 volume 0.78562E-02 ppm1 0.956 ppm2 2.089 CV 1 ASSI { 2618} ( segid " " and resid 30 and name HG2%) (( segid " " and resid 31 and name HG3 )) 2.800 1.000 1.000 peak 2618 spectrum 1 weight 0.10000E+01 volume 0.53023E-02 ppm1 0.956 ppm2 2.221 CV 1 ASSI { 2619} ( segid " " and resid 30 and name HG2%) (( segid " " and resid 31 and name HG2 )) 2.700 0.900 0.900 peak 2619 spectrum 1 weight 0.10000E+01 volume 0.46489E-02 ppm1 0.956 ppm2 2.290 CV 1 ASSI { 2622} ( segid " " and resid 30 and name HD1%) (( segid " " and resid 4 and name HA )) 3.600 1.600 1.600 peak 2622 spectrum 1 weight 0.10000E+01 volume 0.22025E-02 ppm1 0.942 ppm2 4.172 CV 1 ASSI { 2623} ( segid " " and resid 30 and name HD1%) (( segid " " and resid 2 and name HA )) 2.600 2.600 3.400 peak 2623 spectrum 1 weight 0.10000E+01 volume 0.14598E-02 ppm1 0.942 ppm2 4.543 CV 1 ASSI { 2624} ( segid " " and resid 30 and name HD1%) (( segid " " and resid 2 and name HG2 )) 2.400 2.400 3.600 peak 2624 spectrum 1 weight 0.10000E+01 volume 0.24445E-02 ppm1 0.942 ppm2 2.573 CV 1 ASSI { 2625} ( segid " " and resid 30 and name HD1%) (( segid " " and resid 2 and name HB2 )) 2.800 0.900 0.900 peak 2625 spectrum 1 weight 0.10000E+01 volume 0.34459E-02 ppm1 0.942 ppm2 2.402 CV 1 ASSI { 2626} ( segid " " and resid 30 and name HD1%) (( segid " " and resid 30 and name HB )) 2.800 1.000 1.000 peak 2626 spectrum 1 weight 0.10000E+01 volume 0.45135E-02 ppm1 0.942 ppm2 2.088 CV 1 ASSI { 2627} ( segid " " and resid 30 and name HD1%) (( segid " " and resid 35 and name HB3 )) 3.400 1.400 1.400 peak 2627 spectrum 1 weight 0.10000E+01 volume 0.16380E-02 ppm1 0.942 ppm2 1.959 CV 1 OR { 2627} ( segid " " and resid 30 and name HD1%) (( segid " " and resid 35 and name HB2 )) ASSI { 2629} ( segid " " and resid 30 and name HD1%) (( segid " " and resid 30 and name HG13)) 2.400 0.700 0.700 peak 2629 spectrum 1 weight 0.10000E+01 volume 0.65269E-02 ppm1 0.942 ppm2 1.467 CV 1 ASSI { 2630} ( segid " " and resid 30 and name HD1%) (( segid " " and resid 30 and name HG12)) 2.400 0.700 0.700 peak 2630 spectrum 1 weight 0.10000E+01 volume 0.63901E-02 ppm1 0.942 ppm2 1.610 CV 1 ASSI { 2631} ( segid " " and resid 30 and name HD1%) (( segid " " and resid 33 and name HB3 )) 3.600 1.600 1.600 peak 2631 spectrum 1 weight 0.10000E+01 volume 0.10593E-02 ppm1 0.942 ppm2 1.733 CV 1 ASSI { 2633} (( segid " " and resid 30 and name HG12)) ( segid " " and resid 30 and name HD1%) 2.900 1.000 1.000 peak 2633 spectrum 1 weight 0.10000E+01 volume 0.26281E-02 ppm1 1.608 ppm2 0.954 CV 1 OR { 2633} (( segid " " and resid 30 and name HG12)) ( segid " " and resid 30 and name HG2%) ASSI { 2634} (( segid " " and resid 30 and name HG13)) (( segid " " and resid 30 and name HG12)) 1.700 0.400 0.500 peak 2634 spectrum 1 weight 0.10000E+01 volume 0.12583E-01 ppm1 1.467 ppm2 1.610 CV 1 ASSI { 2635} (( segid " " and resid 30 and name HG13)) ( segid " " and resid 30 and name HD1%) 2.300 0.700 0.700 peak 2635 spectrum 1 weight 0.10000E+01 volume 0.95313E-02 ppm1 1.467 ppm2 0.953 CV 1 OR { 2635} (( segid " " and resid 30 and name HG13)) ( segid " " and resid 30 and name HG2%) ASSI { 2639} ( segid " " and resid 30 and name HD1%) (( segid " " and resid 3 and name HN )) 3.300 1.300 1.300 peak 2639 spectrum 1 weight 0.10000E+01 volume 0.13257E-02 ppm1 0.942 ppm2 8.441 CV 1 ASSI { 2640} ( segid " " and resid 30 and name HD1%) (( segid " " and resid 2 and name HN )) 3.100 3.100 2.900 peak 2640 spectrum 1 weight 0.10000E+01 volume 0.60800E-03 ppm1 0.942 ppm2 9.283 CV 1 ASSI { 2641} ( segid " " and resid 30 and name HD1%) (( segid " " and resid 31 and name HN )) 4.300 2.300 1.700 peak 2641 spectrum 1 weight 0.10000E+01 volume 0.84761E-03 ppm1 0.942 ppm2 9.380 CV 1 ASSI { 2646} (( segid " " and resid 107 and name HG3 )) (( segid " " and resid 110 and name HB3 )) 2.400 2.400 3.600 peak 2646 spectrum 1 weight 0.10000E+01 volume 0.10330E-01 ppm1 2.307 ppm2 1.967 CV 1 OR { 2646} (( segid " " and resid 107 and name HG3 )) (( segid " " and resid 110 and name HB2 )) ASSI { 2648} (( segid " " and resid 36 and name HA2 )) (( segid " " and resid 36 and name HA1 )) 1.800 0.400 0.400 peak 2648 spectrum 1 weight 0.10000E+01 volume 0.78562E-02 ppm1 3.659 ppm2 4.194 CV 1 ASSI { 2651} (( segid " " and resid 37 and name HA )) ( segid " " and resid 37 and name HD1%) 2.700 0.900 0.900 peak 2651 spectrum 1 weight 0.10000E+01 volume 0.53409E-02 ppm1 4.268 ppm2 0.240 CV 1 OR { 2651} (( segid " " and resid 37 and name HA )) ( segid " " and resid 37 and name HD2%) ASSI { 2653} (( segid " " and resid 37 and name HB2 )) (( segid " " and resid 37 and name HB3 )) 1.600 0.300 0.600 peak 2653 spectrum 1 weight 0.10000E+01 volume 0.92512E-02 ppm1 1.243 ppm2 0.996 CV 1 ASSI { 2655} (( segid " " and resid 37 and name HB2 )) ( segid " " and resid 37 and name HD1%) 2.600 0.800 0.800 peak 2655 spectrum 1 weight 0.10000E+01 volume 0.41720E-02 ppm1 1.243 ppm2 0.240 CV 1 OR { 2655} (( segid " " and resid 37 and name HB2 )) ( segid " " and resid 37 and name HD2%) ASSI { 2657} (( segid " " and resid 37 and name HB3 )) ( segid " " and resid 37 and name HD2%) 2.600 0.800 0.800 peak 2657 spectrum 1 weight 0.10000E+01 volume 0.42208E-02 ppm1 1.007 ppm2 0.240 CV 1 OR { 2657} (( segid " " and resid 37 and name HB3 )) ( segid " " and resid 37 and name HD1%) ASSI { 2659} (( segid " " and resid 37 and name HB3 )) (( segid " " and resid 61 and name HG2 )) 3.600 1.600 1.600 peak 2659 spectrum 1 weight 0.10000E+01 volume 0.10700E-02 ppm1 1.007 ppm2 1.550 CV 1 ASSI { 2662} (( segid " " and resid 37 and name HB3 )) (( segid " " and resid 61 and name HD3 )) 3.300 1.300 1.300 peak 2662 spectrum 1 weight 0.10000E+01 volume 0.51059E-03 ppm1 1.007 ppm2 3.223 CV 1 ASSI { 2663} (( segid " " and resid 35 and name HG3 )) (( segid " " and resid 35 and name HB3 )) 2.600 0.900 0.900 peak 2663 spectrum 1 weight 0.10000E+01 volume 0.37058E-02 ppm1 2.162 ppm2 1.943 CV 1 OR { 2663} (( segid " " and resid 35 and name HG3 )) (( segid " " and resid 35 and name HB2 )) ASSI { 2665} (( segid " " and resid 35 and name HG3 )) (( segid " " and resid 33 and name HB2 )) 3.500 1.500 1.500 peak 2665 spectrum 1 weight 0.10000E+01 volume 0.23986E-02 ppm1 2.162 ppm2 1.753 CV 1 OR { 2665} (( segid " " and resid 35 and name HG3 )) (( segid " " and resid 33 and name HB3 )) ASSI { 2666} (( segid " " and resid 35 and name HG2 )) (( segid " " and resid 33 and name HB3 )) 3.000 1.100 1.100 peak 2666 spectrum 1 weight 0.10000E+01 volume 0.13007E-02 ppm1 2.231 ppm2 1.753 CV 1 OR { 2666} (( segid " " and resid 35 and name HG2 )) (( segid " " and resid 33 and name HB2 )) ASSI { 2668} (( segid " " and resid 35 and name HG2 )) (( segid " " and resid 35 and name HB3 )) 2.900 1.000 1.000 peak 2668 spectrum 1 weight 0.10000E+01 volume 0.30996E-02 ppm1 2.231 ppm2 1.945 CV 1 OR { 2668} (( segid " " and resid 35 and name HG2 )) (( segid " " and resid 35 and name HB2 )) ASSI { 2669} (( segid " " and resid 35 and name HG2 )) ( segid " " and resid 30 and name HD1%) 3.700 1.700 1.700 peak 2669 spectrum 1 weight 0.10000E+01 volume 0.89947E-03 ppm1 2.231 ppm2 0.953 CV 1 ASSI { 2670} (( segid " " and resid 35 and name HG3 )) (( segid " " and resid 35 and name HA )) 4.100 2.100 1.900 peak 2670 spectrum 1 weight 0.10000E+01 volume 0.11820E-02 ppm1 2.162 ppm2 4.664 CV 1 ASSI { 2671} (( segid " " and resid 35 and name HG2 )) (( segid " " and resid 35 and name HA )) 3.600 1.700 1.700 peak 2671 spectrum 1 weight 0.10000E+01 volume 0.81664E-03 ppm1 2.231 ppm2 4.664 CV 1 ASSI { 2672} (( segid " " and resid 35 and name HB2 )) (( segid " " and resid 35 and name HA )) 2.700 0.900 0.900 peak 2672 spectrum 1 weight 0.10000E+01 volume 0.39663E-02 ppm1 1.949 ppm2 4.664 CV 1 OR { 2672} (( segid " " and resid 35 and name HB3 )) (( segid " " and resid 35 and name HA )) ASSI { 2674} (( segid " " and resid 37 and name HG )) (( segid " " and resid 37 and name HB3 )) 2.300 0.700 0.700 peak 2674 spectrum 1 weight 0.10000E+01 volume 0.58084E-02 ppm1 1.180 ppm2 1.010 CV 1 ASSI { 2676} (( segid " " and resid 37 and name HG )) ( segid " " and resid 37 and name HD2%) 2.400 0.700 0.700 peak 2676 spectrum 1 weight 0.10000E+01 volume 0.52873E-02 ppm1 1.180 ppm2 0.240 CV 1 OR { 2676} (( segid " " and resid 37 and name HG )) ( segid " " and resid 37 and name HD1%) ASSI { 2682} ( segid " " and resid 37 and name HD2%) (( segid " " and resid 37 and name HG )) 2.300 0.700 0.700 peak 2682 spectrum 1 weight 0.10000E+01 volume 0.73797E-02 ppm1 0.256 ppm2 1.203 CV 1 OR { 2682} ( segid " " and resid 37 and name HD1%) (( segid " " and resid 37 and name HG )) OR { 2682} ( segid " " and resid 37 and name HD1%) (( segid " " and resid 37 and name HB2 )) OR { 2682} ( segid " " and resid 37 and name HD2%) (( segid " " and resid 37 and name HB2 )) ASSI { 2685} ( segid " " and resid 37 and name HD2%) (( segid " " and resid 41 and name HB3 )) 3.900 1.900 1.900 peak 2685 spectrum 1 weight 0.10000E+01 volume 0.90723E-03 ppm1 0.231 ppm2 2.959 CV 1 OR { 2685} ( segid " " and resid 37 and name HD1%) (( segid " " and resid 41 and name HB3 )) ASSI { 2691} ( segid " " and resid 37 and name HD1%) (( segid " " and resid 37 and name HN )) 3.500 1.600 1.600 peak 2691 spectrum 1 weight 0.10000E+01 volume 0.13257E-02 ppm1 0.231 ppm2 7.099 CV 1 OR { 2691} ( segid " " and resid 37 and name HD2%) (( segid " " and resid 37 and name HN )) ASSI { 2693} ( segid " " and resid 37 and name HD2%) ( segid " " and resid 41 and name HE% ) 3.300 1.400 1.400 peak 2693 spectrum 1 weight 0.10000E+01 volume 0.14330E-02 ppm1 0.231 ppm2 7.356 CV 1 ASSI { 2697} (( segid " " and resid 39 and name HB2 )) (( segid " " and resid 61 and name HB2 )) 4.400 2.400 1.600 peak 2697 spectrum 1 weight 0.10000E+01 volume 0.87086E-03 ppm1 2.912 ppm2 2.059 CV 1 OR { 2697} (( segid " " and resid 39 and name HB3 )) (( segid " " and resid 61 and name HB2 )) ASSI { 2701} (( segid " " and resid 40 and name HB3 )) (( segid " " and resid 38 and name HB )) 4.400 2.400 1.600 peak 2701 spectrum 1 weight 0.10000E+01 volume 0.89531E-03 ppm1 1.661 ppm2 4.756 CV 1 ASSI { 2703} (( segid " " and resid 40 and name HB3 )) (( segid " " and resid 40 and name HB2 )) 1.600 0.300 0.600 peak 2703 spectrum 1 weight 0.10000E+01 volume 0.10193E-01 ppm1 1.661 ppm2 1.968 CV 1 ASSI { 2705} (( segid " " and resid 40 and name HG2 )) (( segid " " and resid 40 and name HB3 )) 2.600 0.800 0.800 peak 2705 spectrum 1 weight 0.10000E+01 volume 0.31568E-02 ppm1 2.342 ppm2 1.660 CV 1 ASSI { 2706} (( segid " " and resid 40 and name HG2 )) (( segid " " and resid 40 and name HB2 )) 2.900 1.100 1.100 peak 2706 spectrum 1 weight 0.10000E+01 volume 0.38900E-02 ppm1 2.342 ppm2 1.966 CV 1 ASSI { 2707} (( segid " " and resid 41 and name HB2 )) (( segid " " and resid 41 and name HB3 )) 1.800 0.400 0.400 peak 2707 spectrum 1 weight 0.10000E+01 volume 0.47889E-02 ppm1 3.280 ppm2 2.964 CV 1 ASSI { 2710} (( segid " " and resid 42 and name HB3 )) (( segid " " and resid 42 and name HG2 )) 2.400 0.700 0.700 peak 2710 spectrum 1 weight 0.10000E+01 volume 0.68070E-02 ppm1 2.009 ppm2 2.296 CV 1 ASSI { 2711} (( segid " " and resid 42 and name HB2 )) (( segid " " and resid 42 and name HB3 )) 1.700 0.300 0.500 peak 2711 spectrum 1 weight 0.10000E+01 volume 0.15498E-01 ppm1 2.155 ppm2 2.008 CV 1 ASSI { 2712} (( segid " " and resid 42 and name HB2 )) (( segid " " and resid 42 and name HG2 )) 2.700 0.900 0.900 peak 2712 spectrum 1 weight 0.10000E+01 volume 0.75942E-02 ppm1 2.155 ppm2 2.295 CV 1 ASSI { 2714} (( segid " " and resid 42 and name HG2 )) (( segid " " and resid 42 and name HA )) 2.700 0.900 0.900 peak 2714 spectrum 1 weight 0.10000E+01 volume 0.46596E-02 ppm1 2.315 ppm2 4.207 CV 1 ASSI { 2719} (( segid " " and resid 43 and name HA )) (( segid " " and resid 65 and name HB2 )) 2.700 0.900 0.900 peak 2719 spectrum 1 weight 0.10000E+01 volume 0.32796E-02 ppm1 4.559 ppm2 1.795 CV 1 ASSI { 2724} (( segid " " and resid 43 and name HB2 )) (( segid " " and resid 43 and name HB3 )) 2.000 0.500 0.500 peak 2724 spectrum 1 weight 0.10000E+01 volume 0.46000E-02 ppm1 2.203 ppm2 1.695 CV 1 ASSI { 2729} (( segid " " and resid 43 and name HG2 )) (( segid " " and resid 17 and name HB3 )) 3.000 3.000 3.000 peak 2729 spectrum 1 weight 0.10000E+01 volume 0.74509E-03 ppm1 2.574 ppm2 3.996 CV 1 OR { 2729} (( segid " " and resid 43 and name HG2 )) (( segid " " and resid 17 and name HB2 )) ASSI { 2731} (( segid " " and resid 43 and name HG2 )) (( segid " " and resid 43 and name HB3 )) 2.700 0.900 0.900 peak 2731 spectrum 1 weight 0.10000E+01 volume 0.45135E-02 ppm1 2.574 ppm2 1.694 CV 1 ASSI { 2732} (( segid " " and resid 43 and name HG2 )) (( segid " " and resid 43 and name HB2 )) 2.800 1.000 1.000 peak 2732 spectrum 1 weight 0.10000E+01 volume 0.46053E-02 ppm1 2.574 ppm2 2.187 CV 1 ASSI { 2733} (( segid " " and resid 43 and name HG3 )) (( segid " " and resid 43 and name HB3 )) 2.800 1.000 1.000 peak 2733 spectrum 1 weight 0.10000E+01 volume 0.41934E-02 ppm1 2.100 ppm2 1.684 CV 1 ASSI { 2734} (( segid " " and resid 43 and name HG3 )) (( segid " " and resid 43 and name HG2 )) 1.800 0.400 0.400 peak 2734 spectrum 1 weight 0.10000E+01 volume 0.13567E-01 ppm1 2.100 ppm2 2.572 CV 1 ASSI { 2735} (( segid " " and resid 44 and name HB2 )) (( segid " " and resid 44 and name HB3 )) 1.900 0.400 0.400 peak 2735 spectrum 1 weight 0.10000E+01 volume 0.38471E-02 ppm1 1.948 ppm2 1.589 CV 1 ASSI { 2736} (( segid " " and resid 44 and name HB2 )) (( segid " " and resid 66 and name HG )) 3.700 1.700 1.700 peak 2736 spectrum 1 weight 0.10000E+01 volume 0.18067E-02 ppm1 1.948 ppm2 1.378 CV 1 ASSI { 2737} (( segid " " and resid 44 and name HB2 )) ( segid " " and resid 63 and name HD2%) 3.600 1.700 1.700 peak 2737 spectrum 1 weight 0.10000E+01 volume 0.99843E-03 ppm1 1.948 ppm2 0.969 CV 1 ASSI { 2738} (( segid " " and resid 44 and name HB2 )) ( segid " " and resid 44 and name HD2%) 2.800 1.000 1.000 peak 2738 spectrum 1 weight 0.10000E+01 volume 0.27968E-02 ppm1 1.948 ppm2 0.824 CV 1 OR { 2738} (( segid " " and resid 44 and name HB2 )) ( segid " " and resid 44 and name HD1%) ASSI { 2739} (( segid " " and resid 44 and name HB2 )) (( segid " " and resid 41 and name HB3 )) 2.700 0.900 0.900 peak 2739 spectrum 1 weight 0.10000E+01 volume 0.61872E-03 ppm1 1.948 ppm2 2.961 CV 1 ASSI { 2740} (( segid " " and resid 44 and name HB2 )) (( segid " " and resid 41 and name HB2 )) 4.200 2.200 1.800 peak 2740 spectrum 1 weight 0.10000E+01 volume 0.90904E-03 ppm1 1.948 ppm2 3.277 CV 1 ASSI { 2746} (( segid " " and resid 44 and name HB3 )) (( segid " " and resid 41 and name HB2 )) 4.600 2.600 1.400 peak 2746 spectrum 1 weight 0.10000E+01 volume 0.10581E-02 ppm1 1.576 ppm2 3.278 CV 1 ASSI { 2749} ( segid " " and resid 44 and name HD1%) (( segid " " and resid 44 and name HB3 )) 2.600 0.800 0.800 peak 2749 spectrum 1 weight 0.10000E+01 volume 0.40581E-02 ppm1 0.848 ppm2 1.579 CV 1 ASSI { 2750} ( segid " " and resid 44 and name HD1%) (( segid " " and resid 44 and name HB2 )) 2.900 1.000 1.000 peak 2750 spectrum 1 weight 0.10000E+01 volume 0.50035E-02 ppm1 0.848 ppm2 1.954 CV 1 ASSI { 2751} ( segid " " and resid 44 and name HD1%) (( segid " " and resid 47 and name HB3 )) 3.000 1.100 1.100 peak 2751 spectrum 1 weight 0.10000E+01 volume 0.30418E-02 ppm1 0.848 ppm2 1.135 CV 1 OR { 2751} ( segid " " and resid 44 and name HD1%) (( segid " " and resid 47 and name HG )) ASSI { 2752} ( segid " " and resid 44 and name HD1%) (( segid " " and resid 66 and name HG )) 2.200 0.600 0.600 peak 2752 spectrum 1 weight 0.10000E+01 volume 0.98710E-02 ppm1 0.848 ppm2 1.372 CV 1 ASSI { 2754} ( segid " " and resid 44 and name HD1%) (( segid " " and resid 47 and name HB2 )) 2.800 1.000 1.000 peak 2754 spectrum 1 weight 0.10000E+01 volume 0.21345E-02 ppm1 0.848 ppm2 1.805 CV 1 ASSI { 2757} ( segid " " and resid 44 and name HD1%) ( segid " " and resid 47 and name HD1%) 3.000 1.100 1.100 peak 2757 spectrum 1 weight 0.10000E+01 volume 0.33595E-02 ppm1 0.848 ppm2 0.515 CV 1 ASSI { 2758} ( segid " " and resid 44 and name HD1%) ( segid " " and resid 37 and name HD2%) 3.000 1.100 1.100 peak 2758 spectrum 1 weight 0.10000E+01 volume 0.60619E-02 ppm1 0.848 ppm2 0.243 CV 1 OR { 2758} ( segid " " and resid 44 and name HD1%) ( segid " " and resid 37 and name HD1%) ASSI { 2761} ( segid " " and resid 44 and name HD1%) (( segid " " and resid 47 and name HA )) 3.900 1.900 1.900 peak 2761 spectrum 1 weight 0.10000E+01 volume 0.10306E-02 ppm1 0.848 ppm2 4.969 CV 1 ASSI { 2762} ( segid " " and resid 52 and name HG2%) (( segid " " and resid 54 and name HB3 )) 3.400 1.400 1.400 peak 2762 spectrum 1 weight 0.10000E+01 volume 0.32069E-02 ppm1 0.763 ppm2 1.319 CV 1 OR { 2762} ( segid " " and resid 52 and name HG2%) (( segid " " and resid 54 and name HB2 )) ASSI { 2763} ( segid " " and resid 52 and name HG2%) (( segid " " and resid 54 and name HG )) 2.300 0.700 0.700 peak 2763 spectrum 1 weight 0.10000E+01 volume 0.50648E-02 ppm1 0.763 ppm2 1.583 CV 1 ASSI { 2764} ( segid " " and resid 52 and name HG2%) ( segid " " and resid 3 and name HE% ) 2.700 0.900 0.900 peak 2764 spectrum 1 weight 0.10000E+01 volume 0.53409E-02 ppm1 0.763 ppm2 1.926 CV 1 ASSI { 2765} ( segid " " and resid 52 and name HG2%) (( segid " " and resid 52 and name HB )) 2.300 0.700 0.700 peak 2765 spectrum 1 weight 0.10000E+01 volume 0.61636E-02 ppm1 0.763 ppm2 2.243 CV 1 ASSI { 2766} ( segid " " and resid 52 and name HG2%) (( segid " " and resid 74 and name HB3 )) 4.300 2.300 1.700 peak 2766 spectrum 1 weight 0.10000E+01 volume 0.67058E-03 ppm1 0.763 ppm2 3.179 CV 1 OR { 2766} ( segid " " and resid 52 and name HG2%) (( segid " " and resid 74 and name HB2 )) ASSI { 2770} ( segid " " and resid 52 and name HG2%) (( segid " " and resid 49 and name HA )) 3.700 1.700 1.700 peak 2770 spectrum 1 weight 0.10000E+01 volume 0.14348E-02 ppm1 0.763 ppm2 4.274 CV 1 ASSI { 2771} ( segid " " and resid 52 and name HG2%) (( segid " " and resid 71 and name HA )) 3.800 1.800 1.800 peak 2771 spectrum 1 weight 0.10000E+01 volume 0.10837E-02 ppm1 0.763 ppm2 4.498 CV 1 ASSI { 2772} (( segid " " and resid 52 and name HB )) ( segid " " and resid 52 and name HG1%) 2.400 0.700 0.700 peak 2772 spectrum 1 weight 0.10000E+01 volume 0.57087E-02 ppm1 2.245 ppm2 0.746 CV 1 OR { 2772} (( segid " " and resid 52 and name HB )) ( segid " " and resid 52 and name HG2%) ASSI { 2773} (( segid " " and resid 45 and name HB2 )) (( segid " " and resid 45 and name HG3 )) 2.400 0.700 0.700 peak 2773 spectrum 1 weight 0.10000E+01 volume 0.85297E-02 ppm1 2.200 ppm2 2.368 CV 1 OR { 2773} (( segid " " and resid 45 and name HB3 )) (( segid " " and resid 45 and name HG3 )) ASSI { 2778} (( segid " " and resid 45 and name HB2 )) (( segid " " and resid 20 and name HE3 )) 3.000 3.000 3.000 peak 2778 spectrum 1 weight 0.10000E+01 volume 0.74033E-03 ppm1 2.200 ppm2 3.054 CV 1 OR { 2778} (( segid " " and resid 45 and name HB2 )) (( segid " " and resid 20 and name HE2 )) OR { 2778} (( segid " " and resid 45 and name HB3 )) (( segid " " and resid 20 and name HE3 )) OR { 2778} (( segid " " and resid 45 and name HB3 )) (( segid " " and resid 20 and name HE2 )) ASSI { 2783} (( segid " " and resid 45 and name HG2 )) (( segid " " and resid 45 and name HB3 )) 2.400 0.700 0.700 peak 2783 spectrum 1 weight 0.10000E+01 volume 0.77906E-02 ppm1 2.640 ppm2 2.200 CV 1 OR { 2783} (( segid " " and resid 45 and name HG2 )) (( segid " " and resid 45 and name HB2 )) ASSI { 2784} (( segid " " and resid 45 and name HG2 )) (( segid " " and resid 45 and name HG3 )) 1.700 0.400 0.500 peak 2784 spectrum 1 weight 0.10000E+01 volume 0.14348E-01 ppm1 2.640 ppm2 2.374 CV 1 ASSI { 2788} ( segid " " and resid 44 and name HD1%) ( segid " " and resid 41 and name HD% ) 3.900 1.900 1.900 peak 2788 spectrum 1 weight 0.10000E+01 volume 0.15957E-02 ppm1 0.848 ppm2 7.506 CV 1 ASSI { 2789} ( segid " " and resid 44 and name HD1%) (( segid " " and resid 46 and name HN )) 3.300 1.400 1.400 peak 2789 spectrum 1 weight 0.10000E+01 volume 0.10050E-02 ppm1 0.848 ppm2 7.731 CV 1 ASSI { 2791} ( segid " " and resid 44 and name HD1%) (( segid " " and resid 45 and name HN )) 3.700 1.700 1.700 peak 2791 spectrum 1 weight 0.10000E+01 volume 0.61696E-03 ppm1 0.848 ppm2 9.234 CV 1 ASSI { 2793} ( segid " " and resid 44 and name HD2%) (( segid " " and resid 46 and name HN )) 2.700 0.900 0.900 peak 2793 spectrum 1 weight 0.10000E+01 volume 0.54631E-02 ppm1 0.786 ppm2 7.738 CV 1 ASSI { 2794} ( segid " " and resid 44 and name HD2%) ( segid " " and resid 41 and name HD% ) 2.800 1.000 1.000 peak 2794 spectrum 1 weight 0.10000E+01 volume 0.19396E-02 ppm1 0.784 ppm2 7.495 CV 1 ASSI { 2795} ( segid " " and resid 44 and name HD2%) (( segid " " and resid 44 and name HN )) 4.200 2.200 1.800 peak 2795 spectrum 1 weight 0.10000E+01 volume 0.13293E-02 ppm1 0.784 ppm2 6.900 CV 1 ASSI { 2798} ( segid " " and resid 44 and name HD2%) (( segid " " and resid 41 and name HB2 )) 4.200 2.200 1.800 peak 2798 spectrum 1 weight 0.10000E+01 volume 0.15420E-02 ppm1 0.784 ppm2 3.287 CV 1 ASSI { 2799} ( segid " " and resid 44 and name HD2%) (( segid " " and resid 41 and name HB3 )) 3.700 1.700 1.700 peak 2799 spectrum 1 weight 0.10000E+01 volume 0.88995E-03 ppm1 0.784 ppm2 2.938 CV 1 ASSI { 2800} (( segid " " and resid 44 and name HA )) (( segid " " and resid 20 and name HA )) 2.600 0.900 0.900 peak 2800 spectrum 1 weight 0.10000E+01 volume 0.39067E-02 ppm1 4.112 ppm2 4.886 CV 1 ASSI { 2806} (( segid " " and resid 46 and name HA )) (( segid " " and resid 68 and name HG2 )) 4.200 2.200 1.800 peak 2806 spectrum 1 weight 0.10000E+01 volume 0.86970E-03 ppm1 5.818 ppm2 1.355 CV 1 OR { 2806} (( segid " " and resid 46 and name HA )) (( segid " " and resid 68 and name HD2 )) ASSI { 2809} (( segid " " and resid 46 and name HB2 )) (( segid " " and resid 46 and name HB3 )) 1.800 0.400 0.400 peak 2809 spectrum 1 weight 0.10000E+01 volume 0.68371E-02 ppm1 3.271 ppm2 2.880 CV 1 ASSI { 2821} (( segid " " and resid 47 and name HA )) (( segid " " and resid 47 and name HB3 )) 3.100 1.200 1.200 peak 2821 spectrum 1 weight 0.10000E+01 volume 0.18639E-02 ppm1 4.986 ppm2 1.135 CV 1 OR { 2821} (( segid " " and resid 47 and name HA )) (( segid " " and resid 47 and name HG )) ASSI { 2826} (( segid " " and resid 47 and name HG )) (( segid " " and resid 47 and name HA )) 3.300 1.300 1.300 peak 2826 spectrum 1 weight 0.10000E+01 volume 0.11063E-02 ppm1 1.170 ppm2 4.974 CV 1 ASSI { 2827} (( segid " " and resid 47 and name HG )) (( segid " " and resid 47 and name HN )) 4.200 2.200 1.800 peak 2827 spectrum 1 weight 0.10000E+01 volume 0.54787E-03 ppm1 1.170 ppm2 7.939 CV 1 ASSI { 2828} (( segid " " and resid 47 and name HG )) (( segid " " and resid 47 and name HB2 )) 2.600 0.900 0.900 peak 2828 spectrum 1 weight 0.10000E+01 volume 0.27431E-02 ppm1 1.170 ppm2 1.806 CV 1 ASSI { 2830} (( segid " " and resid 47 and name HG )) ( segid " " and resid 47 and name HD2%) 2.500 0.800 0.800 peak 2830 spectrum 1 weight 0.10000E+01 volume 0.39389E-02 ppm1 1.170 ppm2 0.709 CV 1 ASSI { 2832} ( segid " " and resid 47 and name HD1%) ( segid " " and resid 37 and name HD2%) 2.300 0.700 0.700 peak 2832 spectrum 1 weight 0.10000E+01 volume 0.75641E-02 ppm1 0.517 ppm2 0.236 CV 1 OR { 2832} ( segid " " and resid 47 and name HD1%) ( segid " " and resid 37 and name HD1%) ASSI { 2833} ( segid " " and resid 47 and name HD1%) ( segid " " and resid 47 and name HD2%) 1.800 0.400 0.400 peak 2833 spectrum 1 weight 0.10000E+01 volume 0.41928E-01 ppm1 0.517 ppm2 0.711 CV 1 ASSI { 2835} ( segid " " and resid 47 and name HD1%) (( segid " " and resid 47 and name HG )) 2.100 0.600 0.600 peak 2835 spectrum 1 weight 0.10000E+01 volume 0.11814E-01 ppm1 0.517 ppm2 1.156 CV 1 ASSI { 2837} ( segid " " and resid 47 and name HD1%) (( segid " " and resid 47 and name HB2 )) 2.300 0.700 0.700 peak 2837 spectrum 1 weight 0.10000E+01 volume 0.63365E-02 ppm1 0.517 ppm2 1.792 CV 1 ASSI { 2840} ( segid " " and resid 47 and name HD1%) (( segid " " and resid 69 and name HA )) 4.200 2.200 1.800 peak 2840 spectrum 1 weight 0.10000E+01 volume 0.85357E-03 ppm1 0.517 ppm2 5.410 CV 1 ASSI { 2842} (( segid " " and resid 48 and name HB3 )) (( segid " " and resid 70 and name HB2 )) 3.400 1.400 1.400 peak 2842 spectrum 1 weight 0.10000E+01 volume 0.81303E-03 ppm1 3.311 ppm2 2.511 CV 1 OR { 2842} (( segid " " and resid 48 and name HB3 )) (( segid " " and resid 70 and name HG2 )) ASSI { 2846} (( segid " " and resid 49 and name HA )) ( segid " " and resid 49 and name HG2%) 2.600 0.900 0.900 peak 2846 spectrum 1 weight 0.10000E+01 volume 0.52026E-02 ppm1 4.277 ppm2 0.814 CV 1 ASSI { 2848} (( segid " " and resid 49 and name HA )) (( segid " " and resid 49 and name HB )) 2.500 0.800 0.800 peak 2848 spectrum 1 weight 0.10000E+01 volume 0.36790E-02 ppm1 4.277 ppm2 4.076 CV 1 ASSI { 2849} (( segid " " and resid 49 and name HB )) ( segid " " and resid 3 and name HE% ) 3.600 1.600 1.600 peak 2849 spectrum 1 weight 0.10000E+01 volume 0.82736E-03 ppm1 4.085 ppm2 1.906 CV 1 ASSI { 2850} (( segid " " and resid 49 and name HB )) (( segid " " and resid 48 and name HB3 )) 3.300 3.300 2.700 peak 2850 spectrum 1 weight 0.10000E+01 volume 0.39878E-02 ppm1 4.085 ppm2 3.335 CV 1 ASSI { 2851} (( segid " " and resid 49 and name HB )) ( segid " " and resid 49 and name HG2%) 2.400 0.700 0.700 peak 2851 spectrum 1 weight 0.10000E+01 volume 0.68787E-02 ppm1 4.085 ppm2 0.814 CV 1 ASSI { 2855} ( segid " " and resid 125 and name HG1%) ( segid " " and resid 128 and name HD1%) 2.500 0.800 0.800 peak 2855 spectrum 1 weight 0.10000E+01 volume 0.65034E-02 ppm1 0.822 ppm2 1.085 CV 1 ASSI { 2857} ( segid " " and resid 49 and name HG2%) ( segid " " and resid 47 and name HD1%) 2.800 1.000 1.000 peak 2857 spectrum 1 weight 0.10000E+01 volume 0.48807E-02 ppm1 0.815 ppm2 0.509 CV 1 ASSI { 2862} ( segid " " and resid 49 and name HG2%) ( segid " " and resid 3 and name HE% ) 2.800 1.000 1.000 peak 2862 spectrum 1 weight 0.10000E+01 volume 0.47811E-02 ppm1 0.815 ppm2 1.911 CV 1 ASSI { 2874} ( segid " " and resid 50 and name HG2%) (( segid " " and resid 50 and name HB )) 2.300 0.600 0.600 peak 2874 spectrum 1 weight 0.10000E+01 volume 0.77490E-02 ppm1 0.718 ppm2 1.317 CV 1 ASSI { 2875} ( segid " " and resid 50 and name HG2%) (( segid " " and resid 50 and name HG12)) 3.000 1.100 1.100 peak 2875 spectrum 1 weight 0.10000E+01 volume 0.27700E-02 ppm1 0.718 ppm2 1.623 CV 1 OR { 2875} ( segid " " and resid 50 and name HG2%) (( segid " " and resid 50 and name HG13)) ASSI { 2876} ( segid " " and resid 50 and name HG2%) (( segid " " and resid 73 and name HB3 )) 3.400 1.400 1.400 peak 2876 spectrum 1 weight 0.10000E+01 volume 0.50648E-02 ppm1 0.718 ppm2 2.060 CV 1 ASSI { 2877} ( segid " " and resid 50 and name HG2%) (( segid " " and resid 73 and name HG2 )) 2.900 1.100 1.100 peak 2877 spectrum 1 weight 0.10000E+01 volume 0.43669E-02 ppm1 0.718 ppm2 2.222 CV 1 OR { 2877} ( segid " " and resid 50 and name HG2%) (( segid " " and resid 73 and name HB2 )) ASSI { 2878} ( segid " " and resid 50 and name HG2%) (( segid " " and resid 51 and name HB3 )) 2.700 0.900 0.900 peak 2878 spectrum 1 weight 0.10000E+01 volume 0.58084E-02 ppm1 0.718 ppm2 2.360 CV 1 ASSI { 2879} ( segid " " and resid 50 and name HG2%) (( segid " " and resid 70 and name HB2 )) 3.900 1.900 1.900 peak 2879 spectrum 1 weight 0.10000E+01 volume 0.15993E-02 ppm1 0.718 ppm2 2.528 CV 1 OR { 2879} ( segid " " and resid 50 and name HG2%) (( segid " " and resid 70 and name HG2 )) ASSI { 2880} ( segid " " and resid 50 and name HG2%) (( segid " " and resid 51 and name HB2 )) 2.600 0.900 0.900 peak 2880 spectrum 1 weight 0.10000E+01 volume 0.41827E-02 ppm1 0.718 ppm2 3.569 CV 1 ASSI { 2883} ( segid " " and resid 50 and name HG2%) (( segid " " and resid 51 and name HA )) 3.800 1.800 1.800 peak 2883 spectrum 1 weight 0.10000E+01 volume 0.22079E-02 ppm1 0.718 ppm2 4.881 CV 1 ASSI { 2884} ( segid " " and resid 50 and name HG2%) (( segid " " and resid 51 and name HN )) 2.700 0.900 0.900 peak 2884 spectrum 1 weight 0.10000E+01 volume 0.40527E-02 ppm1 0.718 ppm2 8.173 CV 1 ASSI { 2885} ( segid " " and resid 50 and name HG2%) (( segid " " and resid 74 and name HD21)) 4.600 2.700 1.400 peak 2885 spectrum 1 weight 0.10000E+01 volume 0.77670E-03 ppm1 0.718 ppm2 7.860 CV 1 ASSI { 2886} ( segid " " and resid 50 and name HG2%) (( segid " " and resid 51 and name HD21)) 4.300 2.300 1.700 peak 2886 spectrum 1 weight 0.10000E+01 volume 0.87622E-03 ppm1 0.718 ppm2 7.680 CV 1 ASSI { 2887} (( segid " " and resid 50 and name HG13)) ( segid " " and resid 23 and name HG1%) 3.100 1.200 1.200 peak 2887 spectrum 1 weight 0.10000E+01 volume 0.22186E-02 ppm1 1.619 ppm2 0.885 CV 1 OR { 2887} (( segid " " and resid 50 and name HG12)) ( segid " " and resid 23 and name HG1%) ASSI { 2888} (( segid " " and resid 50 and name HG13)) ( segid " " and resid 50 and name HD1%) 2.600 0.800 0.800 peak 2888 spectrum 1 weight 0.10000E+01 volume 0.43615E-02 ppm1 1.619 ppm2 0.746 CV 1 OR { 2888} (( segid " " and resid 50 and name HG12)) ( segid " " and resid 50 and name HD1%) OR { 2888} (( segid " " and resid 50 and name HG13)) ( segid " " and resid 50 and name HG2%) ASSI { 2889} (( segid " " and resid 50 and name HG13)) (( segid " " and resid 70 and name HB2 )) 4.000 2.000 2.000 peak 2889 spectrum 1 weight 0.10000E+01 volume 0.77194E-03 ppm1 1.619 ppm2 2.531 CV 1 OR { 2889} (( segid " " and resid 50 and name HG12)) (( segid " " and resid 70 and name HB2 )) OR { 2889} (( segid " " and resid 50 and name HG12)) (( segid " " and resid 70 and name HG2 )) ASSI { 2894} ( segid " " and resid 50 and name HD1%) (( segid " " and resid 50 and name HB )) 3.200 1.300 1.300 peak 2894 spectrum 1 weight 0.10000E+01 volume 0.54942E-02 ppm1 0.770 ppm2 1.319 CV 1 ASSI { 2895} ( segid " " and resid 50 and name HD1%) (( segid " " and resid 50 and name HG13)) 2.300 0.600 0.600 peak 2895 spectrum 1 weight 0.10000E+01 volume 0.78267E-02 ppm1 0.770 ppm2 1.614 CV 1 OR { 2895} ( segid " " and resid 50 and name HD1%) (( segid " " and resid 50 and name HG12)) ASSI { 2898} ( segid " " and resid 50 and name HD1%) (( segid " " and resid 70 and name HB2 )) 2.900 1.000 1.000 peak 2898 spectrum 1 weight 0.10000E+01 volume 0.43287E-02 ppm1 0.770 ppm2 2.531 CV 1 OR { 2898} ( segid " " and resid 50 and name HD1%) (( segid " " and resid 70 and name HG2 )) ASSI { 2900} ( segid " " and resid 50 and name HD1%) (( segid " " and resid 70 and name HA )) 3.600 1.700 1.700 peak 2900 spectrum 1 weight 0.10000E+01 volume 0.21888E-02 ppm1 0.770 ppm2 4.758 CV 1 ASSI { 2901} (( segid " " and resid 51 and name HB2 )) (( segid " " and resid 73 and name HB3 )) 3.500 1.500 1.500 peak 2901 spectrum 1 weight 0.10000E+01 volume 0.10038E-02 ppm1 3.574 ppm2 2.056 CV 1 ASSI { 2906} ( segid " " and resid 50 and name HD1%) (( segid " " and resid 49 and name HN )) 3.800 1.800 1.800 peak 2906 spectrum 1 weight 0.10000E+01 volume 0.67238E-03 ppm1 0.770 ppm2 9.072 CV 1 ASSI { 2908} (( segid " " and resid 51 and name HB3 )) (( segid " " and resid 51 and name HD21)) 2.900 1.100 1.100 peak 2908 spectrum 1 weight 0.10000E+01 volume 0.17990E-02 ppm1 2.360 ppm2 7.680 CV 1 ASSI { 2911} ( segid " " and resid 52 and name HG1%) (( segid " " and resid 54 and name HG )) 3.600 1.700 1.700 peak 2911 spectrum 1 weight 0.10000E+01 volume 0.23986E-02 ppm1 0.720 ppm2 1.577 CV 1 ASSI { 2914} ( segid " " and resid 52 and name HG1%) (( segid " " and resid 52 and name HB )) 2.400 0.700 0.700 peak 2914 spectrum 1 weight 0.10000E+01 volume 0.70991E-02 ppm1 0.720 ppm2 2.248 CV 1 ASSI { 2916} ( segid " " and resid 52 and name HG1%) (( segid " " and resid 27 and name HB2 )) 3.400 1.500 1.500 peak 2916 spectrum 1 weight 0.10000E+01 volume 0.92632E-03 ppm1 0.720 ppm2 3.149 CV 1 ASSI { 2918} ( segid " " and resid 52 and name HG1%) (( segid " " and resid 49 and name HB )) 2.800 1.000 1.000 peak 2918 spectrum 1 weight 0.10000E+01 volume 0.36843E-02 ppm1 0.720 ppm2 4.082 CV 1 ASSI { 2920} ( segid " " and resid 52 and name HG1%) (( segid " " and resid 25 and name HA )) 2.700 0.900 0.900 peak 2920 spectrum 1 weight 0.10000E+01 volume 0.36736E-02 ppm1 0.720 ppm2 4.508 CV 1 ASSI { 2921} ( segid " " and resid 52 and name HG1%) (( segid " " and resid 52 and name HA )) 2.700 0.900 0.900 peak 2921 spectrum 1 weight 0.10000E+01 volume 0.47967E-02 ppm1 0.720 ppm2 5.212 CV 1 ASSI { 2922} ( segid " " and resid 52 and name HG2%) (( segid " " and resid 52 and name HA )) 3.500 1.500 1.500 peak 2922 spectrum 1 weight 0.10000E+01 volume 0.23909E-02 ppm1 0.763 ppm2 5.212 CV 1 ASSI { 2923} ( segid " " and resid 52 and name HG2%) (( segid " " and resid 74 and name HD22)) 3.200 1.300 1.300 peak 2923 spectrum 1 weight 0.10000E+01 volume 0.86850E-03 ppm1 0.763 ppm2 7.189 CV 1 ASSI { 2925} ( segid " " and resid 52 and name HG2%) (( segid " " and resid 74 and name HD21)) 3.300 1.400 1.400 peak 2925 spectrum 1 weight 0.10000E+01 volume 0.42751E-02 ppm1 0.763 ppm2 7.877 CV 1 ASSI { 2926} ( segid " " and resid 52 and name HG2%) (( segid " " and resid 54 and name HN )) 3.100 1.200 1.200 peak 2926 spectrum 1 weight 0.10000E+01 volume 0.26245E-02 ppm1 0.763 ppm2 8.565 CV 1 ASSI { 2927} ( segid " " and resid 52 and name HG2%) (( segid " " and resid 26 and name HN )) 2.600 2.600 3.400 peak 2927 spectrum 1 weight 0.10000E+01 volume 0.15075E-02 ppm1 0.763 ppm2 8.745 CV 1 ASSI { 2929} ( segid " " and resid 52 and name HG1%) (( segid " " and resid 27 and name HN )) 2.600 0.900 0.900 peak 2929 spectrum 1 weight 0.10000E+01 volume 0.47811E-02 ppm1 0.720 ppm2 7.664 CV 1 ASSI { 2931} ( segid " " and resid 52 and name HG1%) (( segid " " and resid 26 and name HN )) 2.800 1.000 1.000 peak 2931 spectrum 1 weight 0.10000E+01 volume 0.35598E-02 ppm1 0.720 ppm2 8.761 CV 1 ASSI { 2932} ( segid " " and resid 52 and name HG2%) (( segid " " and resid 29 and name HN )) 3.700 1.700 1.700 peak 2932 spectrum 1 weight 0.10000E+01 volume 0.11433E-02 ppm1 0.763 ppm2 8.492 CV 1 ASSI { 2934} (( segid " " and resid 53 and name HA1 )) (( segid " " and resid 53 and name HA2 )) 2.100 0.500 0.500 peak 2934 spectrum 1 weight 0.10000E+01 volume 0.51339E-02 ppm1 4.110 ppm2 3.727 CV 1 ASSI { 2944} (( segid " " and resid 53 and name HA1 )) (( segid " " and resid 75 and name HN )) 3.600 1.600 1.600 peak 2944 spectrum 1 weight 0.10000E+01 volume 0.92632E-03 ppm1 4.110 ppm2 8.728 CV 1 ASSI { 2945} (( segid " " and resid 53 and name HA2 )) (( segid " " and resid 75 and name HN )) 4.300 2.300 1.700 peak 2945 spectrum 1 weight 0.10000E+01 volume 0.16768E-02 ppm1 3.731 ppm2 8.728 CV 1 ASSI { 2949} (( segid " " and resid 54 and name HG )) (( segid " " and resid 56 and name HN )) 4.500 2.500 1.500 peak 2949 spectrum 1 weight 0.10000E+01 volume 0.74509E-03 ppm1 1.577 ppm2 7.680 CV 1 ASSI { 2951} (( segid " " and resid 54 and name HB3 )) (( segid " " and resid 74 and name HB3 )) 2.900 1.000 1.000 peak 2951 spectrum 1 weight 0.10000E+01 volume 0.17119E-02 ppm1 1.323 ppm2 3.191 CV 1 OR { 2951} (( segid " " and resid 54 and name HB2 )) (( segid " " and resid 74 and name HB3 )) OR { 2951} (( segid " " and resid 54 and name HB2 )) (( segid " " and resid 74 and name HB2 )) ASSI { 2953} (( segid " " and resid 54 and name HB3 )) (( segid " " and resid 54 and name HG )) 2.800 1.000 1.000 peak 2953 spectrum 1 weight 0.10000E+01 volume 0.20481E-02 ppm1 1.323 ppm2 1.576 CV 1 OR { 2953} (( segid " " and resid 54 and name HB2 )) (( segid " " and resid 54 and name HG )) ASSI { 2957} ( segid " " and resid 54 and name HD1%) (( segid " " and resid 54 and name HB2 )) 2.400 0.700 0.700 peak 2957 spectrum 1 weight 0.10000E+01 volume 0.70991E-02 ppm1 0.738 ppm2 1.331 CV 1 OR { 2957} ( segid " " and resid 54 and name HD1%) (( segid " " and resid 54 and name HB3 )) ASSI { 2960} ( segid " " and resid 54 and name HD1%) (( segid " " and resid 29 and name HB3 )) 4.200 2.200 1.800 peak 2960 spectrum 1 weight 0.10000E+01 volume 0.89947E-03 ppm1 0.738 ppm2 3.593 CV 1 ASSI { 2962} ( segid " " and resid 54 and name HD1%) (( segid " " and resid 74 and name HA )) 4.300 2.300 1.700 peak 2962 spectrum 1 weight 0.10000E+01 volume 0.88995E-03 ppm1 0.738 ppm2 5.106 CV 1 ASSI { 2965} ( segid " " and resid 54 and name HD1%) (( segid " " and resid 74 and name HD22)) 3.500 1.500 1.500 peak 2965 spectrum 1 weight 0.10000E+01 volume 0.84761E-03 ppm1 0.738 ppm2 7.179 CV 1 ASSI { 2967} ( segid " " and resid 54 and name HD1%) (( segid " " and resid 56 and name HN )) 4.300 2.300 1.700 peak 2967 spectrum 1 weight 0.10000E+01 volume 0.79575E-03 ppm1 0.738 ppm2 7.685 CV 1 ASSI { 2968} ( segid " " and resid 54 and name HD1%) (( segid " " and resid 74 and name HD21)) 3.700 1.700 1.700 peak 2968 spectrum 1 weight 0.10000E+01 volume 0.83869E-03 ppm1 0.738 ppm2 7.858 CV 1 ASSI { 2969} ( segid " " and resid 54 and name HD1%) (( segid " " and resid 54 and name HN )) 4.200 2.200 1.800 peak 2969 spectrum 1 weight 0.10000E+01 volume 0.12851E-02 ppm1 0.738 ppm2 8.557 CV 1 ASSI { 2970} ( segid " " and resid 54 and name HD1%) (( segid " " and resid 55 and name HN )) 5.000 3.100 1.000 peak 2970 spectrum 1 weight 0.10000E+01 volume 0.98355E-03 ppm1 0.738 ppm2 10.127 CV 1 ASSI { 2973} ( segid " " and resid 55 and name HG2%) (( segid " " and resid 75 and name HD2 )) 2.500 2.500 3.500 peak 2973 spectrum 1 weight 0.10000E+01 volume 0.22836E-02 ppm1 1.177 ppm2 3.146 CV 1 OR { 2973} ( segid " " and resid 55 and name HG2%) (( segid " " and resid 75 and name HD3 )) ASSI { 2975} ( segid " " and resid 55 and name HG2%) (( segid " " and resid 57 and name HA )) 3.600 3.600 2.400 peak 2975 spectrum 1 weight 0.10000E+01 volume 0.20750E-02 ppm1 1.177 ppm2 4.766 CV 1 ASSI { 2977} (( segid " " and resid 56 and name HB2 )) (( segid " " and resid 56 and name HB3 )) 1.900 0.400 0.400 peak 2977 spectrum 1 weight 0.10000E+01 volume 0.88519E-02 ppm1 4.033 ppm2 3.402 CV 1 ASSI { 2982} (( segid " " and resid 56 and name HB3 )) (( segid " " and resid 57 and name HN )) 3.800 1.800 1.800 peak 2982 spectrum 1 weight 0.10000E+01 volume 0.71232E-03 ppm1 3.406 ppm2 8.827 CV 1 ASSI { 2984} (( segid " " and resid 56 and name HB2 )) (( segid " " and resid 57 and name HN )) 4.000 2.000 2.000 peak 2984 spectrum 1 weight 0.10000E+01 volume 0.62829E-03 ppm1 4.033 ppm2 8.843 CV 1 ASSI { 2985} ( segid " " and resid 55 and name HG2%) (( segid " " and resid 75 and name HN )) 4.400 2.400 1.600 peak 2985 spectrum 1 weight 0.10000E+01 volume 0.92392E-03 ppm1 1.177 ppm2 8.696 CV 1 ASSI { 2987} ( segid " " and resid 57 and name HG2%) (( segid " " and resid 57 and name HG13)) 3.200 1.300 1.300 peak 2987 spectrum 1 weight 0.10000E+01 volume 0.54481E-02 ppm1 0.870 ppm2 1.070 CV 1 ASSI { 2988} ( segid " " and resid 57 and name HG2%) (( segid " " and resid 57 and name HG12)) 2.500 0.800 0.800 peak 2988 spectrum 1 weight 0.10000E+01 volume 0.57773E-02 ppm1 0.870 ppm2 1.331 CV 1 ASSI { 2991} ( segid " " and resid 57 and name HG2%) (( segid " " and resid 60 and name HG )) 4.400 2.400 1.600 peak 2991 spectrum 1 weight 0.10000E+01 volume 0.79755E-03 ppm1 0.870 ppm2 1.949 CV 1 ASSI { 2992} ( segid " " and resid 57 and name HG2%) (( segid " " and resid 57 and name HB )) 2.100 0.600 0.600 peak 2992 spectrum 1 weight 0.10000E+01 volume 0.10694E-01 ppm1 0.870 ppm2 2.307 CV 1 ASSI { 2994} ( segid " " and resid 57 and name HG2%) (( segid " " and resid 57 and name HA )) 2.400 0.700 0.700 peak 2994 spectrum 1 weight 0.10000E+01 volume 0.73677E-02 ppm1 0.870 ppm2 4.737 CV 1 ASSI { 2995} ( segid " " and resid 57 and name HG2%) (( segid " " and resid 56 and name HA )) 3.700 1.700 1.700 peak 2995 spectrum 1 weight 0.10000E+01 volume 0.10974E-02 ppm1 0.870 ppm2 4.868 CV 1 ASSI { 2997} ( segid " " and resid 57 and name HG2%) (( segid " " and resid 57 and name HN )) 3.000 1.100 1.100 peak 2997 spectrum 1 weight 0.10000E+01 volume 0.24982E-02 ppm1 0.870 ppm2 8.827 CV 1 ASSI { 2999} ( segid " " and resid 57 and name HD1%) (( segid " " and resid 57 and name HB )) 2.500 0.800 0.800 peak 2999 spectrum 1 weight 0.10000E+01 volume 0.63661E-02 ppm1 0.741 ppm2 2.310 CV 1 ASSI { 3000} ( segid " " and resid 57 and name HD1%) (( segid " " and resid 79 and name HB2 )) 3.800 1.800 1.800 peak 3000 spectrum 1 weight 0.10000E+01 volume 0.12875E-02 ppm1 0.741 ppm2 2.965 CV 1 OR { 3000} ( segid " " and resid 57 and name HD1%) (( segid " " and resid 79 and name HB3 )) ASSI { 3001} ( segid " " and resid 57 and name HD1%) (( segid " " and resid 57 and name HG13)) 2.300 0.600 0.600 peak 3001 spectrum 1 weight 0.10000E+01 volume 0.84224E-02 ppm1 0.741 ppm2 1.064 CV 1 ASSI { 3002} ( segid " " and resid 57 and name HD1%) (( segid " " and resid 57 and name HG12)) 2.200 0.600 0.600 peak 3002 spectrum 1 weight 0.10000E+01 volume 0.82796E-02 ppm1 0.741 ppm2 1.326 CV 1 ASSI { 3009} ( segid " " and resid 57 and name HD1%) (( segid " " and resid 57 and name HN )) 4.200 2.300 1.800 peak 3009 spectrum 1 weight 0.10000E+01 volume 0.14366E-02 ppm1 0.741 ppm2 8.843 CV 1 ASSI { 3011} (( segid " " and resid 57 and name HG13)) (( segid " " and resid 57 and name HG12)) 1.600 0.300 0.600 peak 3011 spectrum 1 weight 0.10000E+01 volume 0.13543E-01 ppm1 1.057 ppm2 1.324 CV 1 ASSI { 3013} (( segid " " and resid 57 and name HG13)) (( segid " " and resid 79 and name HB2 )) 3.800 1.800 1.800 peak 3013 spectrum 1 weight 0.10000E+01 volume 0.77194E-03 ppm1 1.057 ppm2 2.969 CV 1 OR { 3013} (( segid " " and resid 57 and name HG13)) (( segid " " and resid 79 and name HB3 )) ASSI { 3014} (( segid " " and resid 57 and name HG13)) (( segid " " and resid 56 and name HA )) 5.200 3.300 0.800 peak 3014 spectrum 1 weight 0.10000E+01 volume 0.72605E-03 ppm1 1.057 ppm2 4.885 CV 1 ASSI { 3018} ( segid " " and resid 106 and name HD1%) ( segid " " and resid 135 and name HG2%) 2.400 0.700 0.700 peak 3018 spectrum 1 weight 0.10000E+01 volume 0.62769E-02 ppm1 0.764 ppm2 0.438 CV 1 ASSI { 3019} ( segid " " and resid 106 and name HD1%) (( segid " " and resid 106 and name HG13)) 2.300 0.600 0.600 peak 3019 spectrum 1 weight 0.10000E+01 volume 0.75285E-02 ppm1 0.764 ppm2 1.247 CV 1 ASSI { 3020} ( segid " " and resid 106 and name HD1%) (( segid " " and resid 106 and name HG12)) 2.100 0.600 0.600 peak 3020 spectrum 1 weight 0.10000E+01 volume 0.10008E-01 ppm1 0.764 ppm2 1.508 CV 1 ASSI { 3022} ( segid " " and resid 106 and name HD1%) (( segid " " and resid 106 and name HB )) 2.400 0.700 0.700 peak 3022 spectrum 1 weight 0.10000E+01 volume 0.72364E-02 ppm1 0.764 ppm2 2.150 CV 1 ASSI { 3024} ( segid " " and resid 106 and name HD1%) (( segid " " and resid 135 and name HA )) 3.300 1.400 1.400 peak 3024 spectrum 1 weight 0.10000E+01 volume 0.15689E-02 ppm1 0.764 ppm2 3.336 CV 1 ASSI { 3026} ( segid " " and resid 106 and name HD1%) (( segid " " and resid 106 and name HA )) 4.500 2.500 1.500 peak 3026 spectrum 1 weight 0.10000E+01 volume 0.13275E-02 ppm1 0.764 ppm2 4.319 CV 1 ASSI { 3028} ( segid " " and resid 106 and name HD1%) (( segid " " and resid 107 and name HN )) 4.600 2.600 1.400 peak 3028 spectrum 1 weight 0.10000E+01 volume 0.10431E-02 ppm1 0.764 ppm2 7.484 CV 1 ASSI { 3029} ( segid " " and resid 106 and name HD1%) (( segid " " and resid 106 and name HN )) 4.300 2.400 1.700 peak 3029 spectrum 1 weight 0.10000E+01 volume 0.16798E-02 ppm1 0.764 ppm2 7.134 CV 1 ASSI { 3035} (( segid " " and resid 58 and name HA )) (( segid " " and resid 82 and name HB )) 3.400 1.400 1.400 peak 3035 spectrum 1 weight 0.10000E+01 volume 0.15653E-02 ppm1 4.062 ppm2 2.150 CV 1 ASSI { 3038} (( segid " " and resid 58 and name HB3 )) (( segid " " and resid 58 and name HB2 )) 1.600 0.300 0.600 peak 3038 spectrum 1 weight 0.10000E+01 volume 0.18854E-01 ppm1 3.857 ppm2 3.946 CV 1 ASSI { 3042} (( segid " " and resid 59 and name HB2 )) (( segid " " and resid 59 and name HB3 )) 1.800 0.400 0.400 peak 3042 spectrum 1 weight 0.10000E+01 volume 0.10729E-01 ppm1 2.957 ppm2 2.677 CV 1 ASSI { 3044} (( segid " " and resid 60 and name HA )) (( segid " " and resid 61 and name HD2 )) 2.300 0.600 0.600 peak 3044 spectrum 1 weight 0.10000E+01 volume 0.55859E-02 ppm1 3.994 ppm2 3.532 CV 1 ASSI { 3045} (( segid " " and resid 60 and name HA )) (( segid " " and resid 61 and name HD3 )) 2.200 0.600 0.600 peak 3045 spectrum 1 weight 0.10000E+01 volume 0.48348E-02 ppm1 3.994 ppm2 3.216 CV 1 ASSI { 3046} (( segid " " and resid 60 and name HB2 )) (( segid " " and resid 61 and name HD2 )) 3.200 1.300 1.300 peak 3046 spectrum 1 weight 0.10000E+01 volume 0.13525E-02 ppm1 1.541 ppm2 3.534 CV 1 OR { 3046} (( segid " " and resid 60 and name HB3 )) (( segid " " and resid 61 and name HD2 )) ASSI { 3047} (( segid " " and resid 60 and name HB2 )) (( segid " " and resid 61 and name HD3 )) 3.900 1.900 1.900 peak 3047 spectrum 1 weight 0.10000E+01 volume 0.16434E-02 ppm1 1.541 ppm2 3.223 CV 1 OR { 3047} (( segid " " and resid 60 and name HB3 )) (( segid " " and resid 61 and name HD3 )) ASSI { 3049} (( segid " " and resid 60 and name HB3 )) (( segid " " and resid 60 and name HG )) 2.500 0.800 0.800 peak 3049 spectrum 1 weight 0.10000E+01 volume 0.38090E-02 ppm1 1.540 ppm2 1.962 CV 1 OR { 3049} (( segid " " and resid 60 and name HB2 )) (( segid " " and resid 60 and name HG )) ASSI { 3051} (( segid " " and resid 60 and name HA )) (( segid " " and resid 60 and name HG )) 3.400 1.400 1.400 peak 3051 spectrum 1 weight 0.10000E+01 volume 0.10986E-02 ppm1 3.994 ppm2 1.969 CV 1 ASSI { 3053} (( segid " " and resid 60 and name HA )) ( segid " " and resid 60 and name HD2%) 2.400 0.700 0.700 peak 3053 spectrum 1 weight 0.10000E+01 volume 0.63124E-02 ppm1 3.994 ppm2 0.711 CV 1 OR { 3053} (( segid " " and resid 60 and name HA )) ( segid " " and resid 60 and name HD1%) ASSI { 3059} (( segid " " and resid 59 and name HB3 )) (( segid " " and resid 60 and name HN )) 4.500 2.500 1.500 peak 3059 spectrum 1 weight 0.10000E+01 volume 0.72304E-03 ppm1 2.682 ppm2 7.279 CV 1 ASSI { 3060} (( segid " " and resid 59 and name HB2 )) (( segid " " and resid 60 and name HN )) 4.000 2.000 2.000 peak 3060 spectrum 1 weight 0.10000E+01 volume 0.96325E-03 ppm1 2.958 ppm2 7.296 CV 1 ASSI { 3061} (( segid " " and resid 136 and name HB3 )) (( segid " " and resid 133 and name HA )) 5.300 3.500 0.700 peak 3061 spectrum 1 weight 0.10000E+01 volume 0.82857E-03 ppm1 2.856 ppm2 3.976 CV 1 ASSI { 3062} (( segid " " and resid 136 and name HB2 )) (( segid " " and resid 133 and name HA )) 3.500 1.500 1.500 peak 3062 spectrum 1 weight 0.10000E+01 volume 0.11457E-02 ppm1 2.954 ppm2 3.976 CV 1 ASSI { 3064} (( segid " " and resid 60 and name HG )) (( segid " " and resid 61 and name HD3 )) 4.600 2.600 1.400 peak 3064 spectrum 1 weight 0.10000E+01 volume 0.10402E-02 ppm1 1.963 ppm2 3.223 CV 1 ASSI { 3070} ( segid " " and resid 60 and name HD2%) (( segid " " and resid 61 and name HD3 )) 3.700 1.700 1.700 peak 3070 spectrum 1 weight 0.10000E+01 volume 0.19725E-02 ppm1 0.694 ppm2 3.217 CV 1 OR { 3070} ( segid " " and resid 60 and name HD1%) (( segid " " and resid 61 and name HD3 )) ASSI { 3079} (( segid " " and resid 61 and name HA )) (( segid " " and resid 61 and name HB2 )) 3.000 1.100 1.100 peak 3079 spectrum 1 weight 0.10000E+01 volume 0.18365E-02 ppm1 4.627 ppm2 2.068 CV 1 ASSI { 3080} (( segid " " and resid 61 and name HA )) (( segid " " and resid 61 and name HB3 )) 2.800 1.000 1.000 peak 3080 spectrum 1 weight 0.10000E+01 volume 0.13716E-02 ppm1 4.627 ppm2 1.839 CV 1 ASSI { 3087} (( segid " " and resid 61 and name HB2 )) (( segid " " and resid 61 and name HB3 )) 1.600 0.300 0.600 peak 3087 spectrum 1 weight 0.10000E+01 volume 0.83333E-02 ppm1 2.064 ppm2 1.839 CV 1 ASSI { 3090} (( segid " " and resid 61 and name HB2 )) (( segid " " and resid 61 and name HD3 )) 4.400 2.400 1.600 peak 3090 spectrum 1 weight 0.10000E+01 volume 0.68371E-03 ppm1 2.064 ppm2 3.215 CV 1 ASSI { 3092} (( segid " " and resid 61 and name HB2 )) (( segid " " and resid 60 and name HA )) 4.700 2.800 1.300 peak 3092 spectrum 1 weight 0.10000E+01 volume 0.11391E-02 ppm1 2.064 ppm2 4.001 CV 1 ASSI { 3095} (( segid " " and resid 61 and name HB2 )) (( segid " " and resid 61 and name HD2 )) 4.200 2.200 1.800 peak 3095 spectrum 1 weight 0.10000E+01 volume 0.89410E-03 ppm1 2.064 ppm2 3.532 CV 1 ASSI { 3096} (( segid " " and resid 61 and name HB3 )) (( segid " " and resid 61 and name HD3 )) 3.400 1.400 1.400 peak 3096 spectrum 1 weight 0.10000E+01 volume 0.72720E-03 ppm1 1.847 ppm2 3.215 CV 1 ASSI { 3099} (( segid " " and resid 61 and name HB3 )) (( segid " " and resid 39 and name HN )) 3.400 1.400 1.400 peak 3099 spectrum 1 weight 0.10000E+01 volume 0.97638E-03 ppm1 1.847 ppm2 8.646 CV 1 ASSI { 3100} (( segid " " and resid 61 and name HD3 )) (( segid " " and resid 61 and name HD2 )) 1.700 0.400 0.500 peak 3100 spectrum 1 weight 0.10000E+01 volume 0.73021E-02 ppm1 3.215 ppm2 3.526 CV 1 ASSI { 3105} (( segid " " and resid 61 and name HD3 )) (( segid " " and resid 61 and name HG3 )) 2.400 0.700 0.700 peak 3105 spectrum 1 weight 0.10000E+01 volume 0.21483E-02 ppm1 3.215 ppm2 1.413 CV 1 ASSI { 3106} (( segid " " and resid 61 and name HD3 )) (( segid " " and resid 37 and name HB2 )) 3.600 1.600 1.600 peak 3106 spectrum 1 weight 0.10000E+01 volume 0.83333E-03 ppm1 3.215 ppm2 1.233 CV 1 ASSI { 3109} (( segid " " and resid 61 and name HD3 )) ( segid " " and resid 37 and name HD2%) 3.500 1.600 1.600 peak 3109 spectrum 1 weight 0.10000E+01 volume 0.12065E-02 ppm1 3.216 ppm2 0.246 CV 1 ASSI { 3112} (( segid " " and resid 61 and name HD2 )) (( segid " " and resid 60 and name HG )) 4.100 2.100 1.900 peak 3112 spectrum 1 weight 0.10000E+01 volume 0.12470E-02 ppm1 3.533 ppm2 1.970 CV 1 ASSI { 3115} (( segid " " and resid 61 and name HD2 )) (( segid " " and resid 61 and name HB3 )) 4.300 2.300 1.700 peak 3115 spectrum 1 weight 0.10000E+01 volume 0.65034E-03 ppm1 3.533 ppm2 1.855 CV 1 ASSI { 3118} (( segid " " and resid 61 and name HD2 )) (( segid " " and resid 37 and name HB2 )) 4.300 2.300 1.700 peak 3118 spectrum 1 weight 0.10000E+01 volume 0.71472E-03 ppm1 3.533 ppm2 1.233 CV 1 ASSI { 3121} (( segid " " and resid 61 and name HD2 )) ( segid " " and resid 37 and name HD2%) 3.500 1.500 1.500 peak 3121 spectrum 1 weight 0.10000E+01 volume 0.10294E-02 ppm1 3.533 ppm2 0.251 CV 1 ASSI { 3122} (( segid " " and resid 61 and name HB3 )) (( segid " " and resid 61 and name HG2 )) 2.800 1.000 1.000 peak 3122 spectrum 1 weight 0.10000E+01 volume 0.36790E-02 ppm1 1.847 ppm2 1.544 CV 1 ASSI { 3123} (( segid " " and resid 61 and name HB3 )) (( segid " " and resid 61 and name HG3 )) 2.300 0.700 0.700 peak 3123 spectrum 1 weight 0.10000E+01 volume 0.24481E-02 ppm1 1.847 ppm2 1.430 CV 1 ASSI { 3124} (( segid " " and resid 61 and name HB2 )) (( segid " " and resid 61 and name HG2 )) 2.300 0.700 0.700 peak 3124 spectrum 1 weight 0.10000E+01 volume 0.27277E-02 ppm1 2.064 ppm2 1.544 CV 1 ASSI { 3125} (( segid " " and resid 61 and name HB2 )) (( segid " " and resid 61 and name HG3 )) 2.900 1.000 1.000 peak 3125 spectrum 1 weight 0.10000E+01 volume 0.18693E-02 ppm1 2.064 ppm2 1.413 CV 1 ASSI { 3128} (( segid " " and resid 61 and name HG2 )) ( segid " " and resid 37 and name HD2%) 3.600 1.700 1.700 peak 3128 spectrum 1 weight 0.10000E+01 volume 0.96030E-03 ppm1 1.547 ppm2 0.248 CV 1 ASSI { 3129} (( segid " " and resid 61 and name HG3 )) ( segid " " and resid 37 and name HD2%) 3.600 1.600 1.600 peak 3129 spectrum 1 weight 0.10000E+01 volume 0.89410E-03 ppm1 1.422 ppm2 0.238 CV 1 ASSI { 3138} (( segid " " and resid 62 and name HB3 )) (( segid " " and resid 63 and name HN )) 4.300 2.400 1.700 peak 3138 spectrum 1 weight 0.10000E+01 volume 0.88043E-03 ppm1 1.686 ppm2 8.592 CV 1 ASSI { 3139} (( segid " " and resid 62 and name HG2 )) (( segid " " and resid 63 and name HN )) 3.800 1.800 1.800 peak 3139 spectrum 1 weight 0.10000E+01 volume 0.10825E-02 ppm1 1.531 ppm2 8.592 CV 1 ASSI { 3141} ( segid " " and resid 63 and name HD1%) ( segid " " and resid 47 and name HD1%) 2.600 0.900 0.900 peak 3141 spectrum 1 weight 0.10000E+01 volume 0.49653E-02 ppm1 0.714 ppm2 0.512 CV 1 ASSI { 3142} ( segid " " and resid 63 and name HD1%) ( segid " " and resid 37 and name HD2%) 2.400 0.700 0.700 peak 3142 spectrum 1 weight 0.10000E+01 volume 0.60324E-02 ppm1 0.714 ppm2 0.242 CV 1 ASSI { 3143} ( segid " " and resid 63 and name HD1%) ( segid " " and resid 63 and name HD2%) 2.100 0.600 0.600 peak 3143 spectrum 1 weight 0.10000E+01 volume 0.13180E-01 ppm1 0.714 ppm2 0.973 CV 1 ASSI { 3144} ( segid " " and resid 63 and name HD1%) ( segid " " and resid 66 and name HD1%) 2.300 0.700 0.700 peak 3144 spectrum 1 weight 0.10000E+01 volume 0.73912E-02 ppm1 0.714 ppm2 1.063 CV 1 ASSI { 3148} ( segid " " and resid 63 and name HD1%) (( segid " " and resid 63 and name HB2 )) 2.300 0.700 0.700 peak 3148 spectrum 1 weight 0.10000E+01 volume 0.66106E-02 ppm1 0.714 ppm2 1.775 CV 1 ASSI { 3149} ( segid " " and resid 63 and name HD1%) (( segid " " and resid 44 and name HB2 )) 3.500 1.500 1.500 peak 3149 spectrum 1 weight 0.10000E+01 volume 0.23569E-02 ppm1 0.714 ppm2 1.961 CV 1 ASSI { 3150} ( segid " " and resid 63 and name HD1%) (( segid " " and resid 61 and name HD3 )) 3.700 1.700 1.700 peak 3150 spectrum 1 weight 0.10000E+01 volume 0.24785E-02 ppm1 0.714 ppm2 3.215 CV 1 ASSI { 3151} ( segid " " and resid 63 and name HD1%) (( segid " " and resid 61 and name HD2 )) 3.100 1.200 1.200 peak 3151 spectrum 1 weight 0.10000E+01 volume 0.15057E-02 ppm1 0.714 ppm2 3.531 CV 1 ASSI { 3154} ( segid " " and resid 63 and name HD1%) (( segid " " and resid 63 and name HA )) 3.800 1.900 1.900 peak 3154 spectrum 1 weight 0.10000E+01 volume 0.18043E-02 ppm1 0.714 ppm2 4.691 CV 1 ASSI { 3159} ( segid " " and resid 63 and name HD2%) (( segid " " and resid 63 and name HB2 )) 3.100 1.200 1.200 peak 3159 spectrum 1 weight 0.10000E+01 volume 0.38358E-02 ppm1 0.966 ppm2 1.776 CV 1 ASSI { 3160} ( segid " " and resid 63 and name HD2%) (( segid " " and resid 41 and name HB3 )) 2.700 0.900 0.900 peak 3160 spectrum 1 weight 0.10000E+01 volume 0.42208E-02 ppm1 0.966 ppm2 2.964 CV 1 ASSI { 3161} ( segid " " and resid 63 and name HD2%) (( segid " " and resid 41 and name HB2 )) 2.500 0.800 0.800 peak 3161 spectrum 1 weight 0.10000E+01 volume 0.32796E-02 ppm1 0.966 ppm2 3.261 CV 1 ASSI { 3162} ( segid " " and resid 63 and name HD2%) (( segid " " and resid 63 and name HA )) 2.200 0.600 0.600 peak 3162 spectrum 1 weight 0.10000E+01 volume 0.82381E-02 ppm1 0.966 ppm2 4.697 CV 1 ASSI { 3166} ( segid " " and resid 63 and name HD2%) (( segid " " and resid 41 and name HN )) 3.600 1.600 1.600 peak 3166 spectrum 1 weight 0.10000E+01 volume 0.19098E-02 ppm1 0.966 ppm2 7.536 CV 1 ASSI { 3167} ( segid " " and resid 63 and name HD2%) (( segid " " and resid 63 and name HN )) 3.700 1.700 1.700 peak 3167 spectrum 1 weight 0.10000E+01 volume 0.13293E-02 ppm1 0.966 ppm2 8.592 CV 1 ASSI { 3169} (( segid " " and resid 92 and name HB2 )) (( segid " " and resid 92 and name HB3 )) 1.900 0.500 0.500 peak 3169 spectrum 1 weight 0.10000E+01 volume 0.44104E-02 ppm1 3.113 ppm2 3.020 CV 1 ASSI { 3172} (( segid " " and resid 92 and name HB2 )) (( segid " " and resid 68 and name HG2 )) 3.400 1.500 1.500 peak 3172 spectrum 1 weight 0.10000E+01 volume 0.13180E-02 ppm1 3.113 ppm2 1.347 CV 1 ASSI { 3174} (( segid " " and resid 92 and name HB3 )) (( segid " " and resid 68 and name HG2 )) 2.800 1.000 1.000 peak 3174 spectrum 1 weight 0.10000E+01 volume 0.12392E-02 ppm1 3.013 ppm2 1.347 CV 1 OR { 3174} (( segid " " and resid 92 and name HB3 )) (( segid " " and resid 68 and name HD2 )) ASSI { 3176} (( segid " " and resid 92 and name HA )) (( segid " " and resid 93 and name HN )) 2.200 0.600 0.600 peak 3176 spectrum 1 weight 0.10000E+01 volume 0.72840E-02 ppm1 5.674 ppm2 8.179 CV 1 ASSI { 3183} (( segid " " and resid 125 and name HB )) (( segid " " and resid 128 and name HG )) 3.400 1.500 1.500 peak 3183 spectrum 1 weight 0.10000E+01 volume 0.15498E-02 ppm1 1.622 ppm2 2.011 CV 1 ASSI { 3184} ( segid " " and resid 90 and name HD1%) (( segid " " and resid 69 and name HB2 )) 2.400 0.700 0.700 peak 3184 spectrum 1 weight 0.10000E+01 volume 0.45242E-02 ppm1 0.913 ppm2 2.004 CV 1 ASSI { 3185} ( segid " " and resid 90 and name HD1%) (( segid " " and resid 87 and name HB3 )) 3.800 1.800 1.800 peak 3185 spectrum 1 weight 0.10000E+01 volume 0.10079E-02 ppm1 0.913 ppm2 2.827 CV 1 ASSI { 3187} ( segid " " and resid 90 and name HD1%) (( segid " " and resid 90 and name HA )) 3.000 1.100 1.100 peak 3187 spectrum 1 weight 0.10000E+01 volume 0.21971E-02 ppm1 0.913 ppm2 3.973 CV 1 ASSI { 3189} ( segid " " and resid 90 and name HD1%) (( segid " " and resid 68 and name HA )) 3.400 1.400 1.400 peak 3189 spectrum 1 weight 0.10000E+01 volume 0.88338E-03 ppm1 0.913 ppm2 5.444 CV 1 ASSI { 3192} ( segid " " and resid 90 and name HD1%) (( segid " " and resid 69 and name HN )) 3.400 1.400 1.400 peak 3192 spectrum 1 weight 0.10000E+01 volume 0.11874E-02 ppm1 0.913 ppm2 8.309 CV 1 ASSI { 3193} ( segid " " and resid 90 and name HD1%) (( segid " " and resid 91 and name HN )) 3.600 1.700 1.700 peak 3193 spectrum 1 weight 0.10000E+01 volume 0.13352E-02 ppm1 0.913 ppm2 8.883 CV 1 ASSI { 3195} (( segid " " and resid 90 and name HA )) (( segid " " and resid 67 and name HA )) 2.400 0.700 0.700 peak 3195 spectrum 1 weight 0.10000E+01 volume 0.43561E-02 ppm1 3.979 ppm2 4.833 CV 1 ASSI { 3197} (( segid " " and resid 90 and name HA )) (( segid " " and resid 91 and name HN )) 2.100 0.600 0.600 peak 3197 spectrum 1 weight 0.10000E+01 volume 0.57162E-02 ppm1 3.979 ppm2 8.894 CV 1 ASSI { 3198} ( segid " " and resid 66 and name HD1%) ( segid " " and resid 47 and name HD1%) 2.800 1.000 1.000 peak 3198 spectrum 1 weight 0.10000E+01 volume 0.37166E-02 ppm1 1.043 ppm2 0.515 CV 1 ASSI { 3202} ( segid " " and resid 66 and name HD1%) (( segid " " and resid 63 and name HB3 )) 3.300 1.400 1.400 peak 3202 spectrum 1 weight 0.10000E+01 volume 0.23867E-02 ppm1 1.043 ppm2 1.573 CV 1 ASSI { 3203} ( segid " " and resid 66 and name HD1%) (( segid " " and resid 66 and name HB2 )) 2.300 0.700 0.700 peak 3203 spectrum 1 weight 0.10000E+01 volume 0.64673E-02 ppm1 1.043 ppm2 1.840 CV 1 ASSI { 3205} ( segid " " and resid 66 and name HD1%) (( segid " " and resid 87 and name HB3 )) 3.100 1.200 1.200 peak 3205 spectrum 1 weight 0.10000E+01 volume 0.29041E-02 ppm1 1.043 ppm2 2.818 CV 1 ASSI { 3206} ( segid " " and resid 66 and name HD1%) (( segid " " and resid 87 and name HB2 )) 3.600 1.600 1.600 peak 3206 spectrum 1 weight 0.10000E+01 volume 0.18937E-02 ppm1 1.043 ppm2 3.085 CV 1 ASSI { 3207} ( segid " " and resid 66 and name HD1%) (( segid " " and resid 66 and name HA )) 4.100 2.100 1.900 peak 3207 spectrum 1 weight 0.10000E+01 volume 0.15266E-02 ppm1 1.043 ppm2 4.144 CV 1 ASSI { 3210} ( segid " " and resid 66 and name HD1%) (( segid " " and resid 69 and name HA )) 3.700 1.700 1.700 peak 3210 spectrum 1 weight 0.10000E+01 volume 0.15629E-02 ppm1 1.043 ppm2 5.410 CV 1 ASSI { 3211} ( segid " " and resid 66 and name HD1%) (( segid " " and resid 66 and name HN )) 4.600 2.600 1.400 peak 3211 spectrum 1 weight 0.10000E+01 volume 0.13561E-02 ppm1 1.043 ppm2 6.942 CV 1 ASSI { 3214} ( segid " " and resid 66 and name HD1%) (( segid " " and resid 69 and name HN )) 4.500 2.500 1.500 peak 3214 spectrum 1 weight 0.10000E+01 volume 0.71172E-03 ppm1 1.043 ppm2 8.301 CV 1 ASSI { 3215} ( segid " " and resid 66 and name HD1%) (( segid " " and resid 67 and name HN )) 5.100 3.300 0.900 peak 3215 spectrum 1 weight 0.10000E+01 volume 0.83568E-03 ppm1 1.043 ppm2 9.154 CV 1 ASSI { 3217} ( segid " " and resid 93 and name HD1%) (( segid " " and resid 93 and name HG )) 2.200 0.600 0.600 peak 3217 spectrum 1 weight 0.10000E+01 volume 0.10390E-01 ppm1 0.765 ppm2 1.345 CV 1 ASSI { 3220} ( segid " " and resid 93 and name HD1%) (( segid " " and resid 93 and name HB2 )) 2.600 0.800 0.800 peak 3220 spectrum 1 weight 0.10000E+01 volume 0.42048E-02 ppm1 0.765 ppm2 1.985 CV 1 ASSI { 3222} ( segid " " and resid 93 and name HD1%) ( segid " " and resid 93 and name HD2%) 2.200 0.600 0.600 peak 3222 spectrum 1 weight 0.10000E+01 volume 0.16708E-01 ppm1 0.765 ppm2 0.913 CV 1 ASSI { 3223} ( segid " " and resid 93 and name HD1%) (( segid " " and resid 93 and name HA )) 3.300 1.400 1.400 peak 3223 spectrum 1 weight 0.10000E+01 volume 0.12989E-02 ppm1 0.765 ppm2 5.272 CV 1 ASSI { 3225} ( segid " " and resid 93 and name HD1%) (( segid " " and resid 93 and name HN )) 4.100 2.100 1.900 peak 3225 spectrum 1 weight 0.10000E+01 volume 0.11338E-02 ppm1 0.765 ppm2 8.189 CV 1 ASSI { 3226} ( segid " " and resid 93 and name HD1%) (( segid " " and resid 94 and name HN )) 3.700 1.700 1.700 peak 3226 spectrum 1 weight 0.10000E+01 volume 0.77370E-03 ppm1 0.765 ppm2 8.459 CV 1 ASSI { 3229} ( segid " " and resid 93 and name HD2%) (( segid " " and resid 93 and name HG )) 2.100 0.500 0.500 peak 3229 spectrum 1 weight 0.10000E+01 volume 0.16166E-01 ppm1 0.941 ppm2 1.365 CV 1 ASSI { 3232} ( segid " " and resid 93 and name HD2%) (( segid " " and resid 93 and name HB2 )) 2.600 0.800 0.800 peak 3232 spectrum 1 weight 0.10000E+01 volume 0.72304E-02 ppm1 0.941 ppm2 2.002 CV 1 ASSI { 3234} ( segid " " and resid 93 and name HD2%) (( segid " " and resid 93 and name HA )) 3.000 1.100 1.100 peak 3234 spectrum 1 weight 0.10000E+01 volume 0.69683E-02 ppm1 0.941 ppm2 5.274 CV 1 ASSI { 3239} ( segid " " and resid 93 and name HD2%) (( segid " " and resid 94 and name HN )) 3.200 1.300 1.300 peak 3239 spectrum 1 weight 0.10000E+01 volume 0.46489E-02 ppm1 0.941 ppm2 8.462 CV 1 ASSI { 3240} (( segid " " and resid 94 and name HA )) (( segid " " and resid 119 and name HB3 )) 3.100 1.200 1.200 peak 3240 spectrum 1 weight 0.10000E+01 volume 0.11570E-02 ppm1 5.415 ppm2 2.660 CV 1 ASSI { 3243} (( segid " " and resid 94 and name HA )) (( segid " " and resid 119 and name HN )) 2.800 1.000 1.000 peak 3243 spectrum 1 weight 0.10000E+01 volume 0.18937E-02 ppm1 5.415 ppm2 8.195 CV 1 ASSI { 3248} (( segid " " and resid 94 and name HB2 )) (( segid " " and resid 70 and name HA )) 3.000 1.200 1.200 peak 3248 spectrum 1 weight 0.10000E+01 volume 0.15975E-02 ppm1 3.401 ppm2 4.770 CV 1 ASSI { 3249} (( segid " " and resid 94 and name HB3 )) (( segid " " and resid 94 and name HB2 )) 2.000 0.500 0.500 peak 3249 spectrum 1 weight 0.10000E+01 volume 0.47734E-02 ppm1 2.795 ppm2 3.398 CV 1 ASSI { 3251} (( segid " " and resid 94 and name HB3 )) (( segid " " and resid 70 and name HA )) 2.900 1.000 1.000 peak 3251 spectrum 1 weight 0.10000E+01 volume 0.22025E-02 ppm1 2.795 ppm2 4.764 CV 1 ASSI { 3265} ( segid " " and resid 95 and name HD2%) (( segid " " and resid 95 and name HA )) 2.400 0.700 0.700 peak 3265 spectrum 1 weight 0.10000E+01 volume 0.75521E-02 ppm1 0.747 ppm2 4.223 CV 1 ASSI { 3266} ( segid " " and resid 95 and name HD2%) (( segid " " and resid 95 and name HN )) 3.700 1.800 1.800 peak 3266 spectrum 1 weight 0.10000E+01 volume 0.13769E-02 ppm1 0.747 ppm2 8.937 CV 1 ASSI { 3267} (( segid " " and resid 69 and name HA )) (( segid " " and resid 69 and name HB2 )) 2.800 1.000 1.000 peak 3267 spectrum 1 weight 0.10000E+01 volume 0.15975E-02 ppm1 5.411 ppm2 1.998 CV 1 ASSI { 3268} (( segid " " and resid 69 and name HA )) (( segid " " and resid 69 and name HB3 )) 2.800 1.000 1.000 peak 3268 spectrum 1 weight 0.10000E+01 volume 0.29578E-02 ppm1 5.411 ppm2 1.358 CV 1 OR { 3268} (( segid " " and resid 69 and name HA )) (( segid " " and resid 69 and name HG )) ASSI { 3272} (( segid " " and resid 100 and name HB )) (( segid " " and resid 100 and name HG13)) 2.500 0.800 0.800 peak 3272 spectrum 1 weight 0.10000E+01 volume 0.27009E-02 ppm1 2.065 ppm2 1.275 CV 1 ASSI { 3276} (( segid " " and resid 30 and name HB )) (( segid " " and resid 30 and name HG12)) 3.400 1.500 1.500 peak 3276 spectrum 1 weight 0.10000E+01 volume 0.81960E-03 ppm1 2.065 ppm2 1.617 CV 1 ASSI { 3277} (( segid " " and resid 100 and name HB )) (( segid " " and resid 101 and name HN )) 4.100 2.100 1.900 peak 3277 spectrum 1 weight 0.10000E+01 volume 0.69263E-03 ppm1 2.065 ppm2 8.939 CV 1 ASSI { 3279} ( segid " " and resid 100 and name HG2%) (( segid " " and resid 100 and name HB )) 2.100 0.500 0.500 peak 3279 spectrum 1 weight 0.10000E+01 volume 0.89711E-02 ppm1 0.777 ppm2 2.057 CV 1 ASSI { 3281} ( segid " " and resid 100 and name HG2%) (( segid " " and resid 125 and name HA )) 4.800 2.800 1.200 peak 3281 spectrum 1 weight 0.10000E+01 volume 0.67895E-03 ppm1 0.777 ppm2 3.827 CV 1 ASSI { 3287} ( segid " " and resid 103 and name HD1%) ( segid " " and resid 103 and name HD2%) 2.200 0.600 0.600 peak 3287 spectrum 1 weight 0.10000E+01 volume 0.15212E-01 ppm1 0.879 ppm2 0.697 CV 1 ASSI { 3288} ( segid " " and resid 103 and name HD1%) ( segid " " and resid 135 and name HG2%) 4.000 2.000 2.000 peak 3288 spectrum 1 weight 0.10000E+01 volume 0.12929E-02 ppm1 0.879 ppm2 0.438 CV 1 ASSI { 3289} ( segid " " and resid 103 and name HD1%) (( segid " " and resid 103 and name HB3 )) 2.400 0.700 0.700 peak 3289 spectrum 1 weight 0.10000E+01 volume 0.87862E-02 ppm1 0.879 ppm2 1.489 CV 1 ASSI { 3291} ( segid " " and resid 103 and name HD1%) (( segid " " and resid 134 and name HB3 )) 2.200 0.600 0.600 peak 3291 spectrum 1 weight 0.10000E+01 volume 0.54015E-02 ppm1 0.879 ppm2 2.457 CV 1 ASSI { 3292} ( segid " " and resid 103 and name HD1%) (( segid " " and resid 134 and name HB2 )) 3.000 1.100 1.100 peak 3292 spectrum 1 weight 0.10000E+01 volume 0.38847E-02 ppm1 0.879 ppm2 2.902 CV 1 ASSI { 3294} ( segid " " and resid 90 and name HD2%) (( segid " " and resid 91 and name HN )) 3.000 1.200 1.200 peak 3294 spectrum 1 weight 0.10000E+01 volume 0.38685E-02 ppm1 0.867 ppm2 8.884 CV 1 ASSI { 3301} ( segid " " and resid 90 and name HD2%) (( segid " " and resid 90 and name HN )) 3.800 1.800 1.800 peak 3301 spectrum 1 weight 0.10000E+01 volume 0.24445E-02 ppm1 0.867 ppm2 7.177 CV 1 ASSI { 3302} ( segid " " and resid 90 and name HD2%) (( segid " " and resid 68 and name HA )) 3.100 1.200 1.200 peak 3302 spectrum 1 weight 0.10000E+01 volume 0.27354E-02 ppm1 0.868 ppm2 5.457 CV 1 ASSI { 3304} ( segid " " and resid 90 and name HD2%) (( segid " " and resid 87 and name HB3 )) 3.200 1.300 1.300 peak 3304 spectrum 1 weight 0.10000E+01 volume 0.22347E-02 ppm1 0.867 ppm2 2.821 CV 1 ASSI { 3305} ( segid " " and resid 90 and name HD2%) (( segid " " and resid 87 and name HB2 )) 3.800 1.800 1.800 peak 3305 spectrum 1 weight 0.10000E+01 volume 0.28391E-02 ppm1 0.867 ppm2 3.089 CV 1 ASSI { 3307} (( segid " " and resid 103 and name HB2 )) (( segid " " and resid 103 and name HB3 )) 1.700 0.300 0.500 peak 3307 spectrum 1 weight 0.10000E+01 volume 0.12261E-01 ppm1 1.715 ppm2 1.476 CV 1 ASSI { 3308} (( segid " " and resid 103 and name HB3 )) (( segid " " and resid 103 and name HB2 )) 1.700 0.300 0.500 peak 3308 spectrum 1 weight 0.10000E+01 volume 0.15021E-01 ppm1 1.479 ppm2 1.705 CV 1 OR { 3308} (( segid " " and resid 103 and name HB3 )) (( segid " " and resid 103 and name HG )) ASSI { 3309} (( segid " " and resid 103 and name HA )) (( segid " " and resid 102 and name HA )) 3.700 1.700 1.700 peak 3309 spectrum 1 weight 0.10000E+01 volume 0.96686E-03 ppm1 3.979 ppm2 4.861 CV 1 ASSI { 3312} (( segid " " and resid 103 and name HG )) (( segid " " and resid 103 and name HN )) 2.200 0.600 0.600 peak 3312 spectrum 1 weight 0.10000E+01 volume 0.46268E-02 ppm1 1.700 ppm2 8.448 CV 1 ASSI { 3317} (( segid " " and resid 104 and name HA )) (( segid " " and resid 107 and name HG2 )) 4.500 2.500 1.500 peak 3317 spectrum 1 weight 0.10000E+01 volume 0.13525E-02 ppm1 4.202 ppm2 2.434 CV 1 ASSI { 3318} (( segid " " and resid 104 and name HA )) (( segid " " and resid 107 and name HB3 )) 3.300 1.300 1.300 peak 3318 spectrum 1 weight 0.10000E+01 volume 0.28272E-02 ppm1 4.202 ppm2 2.183 CV 1 ASSI { 3322} (( segid " " and resid 104 and name HB3 )) (( segid " " and resid 107 and name HN )) 4.200 2.200 1.800 peak 3322 spectrum 1 weight 0.10000E+01 volume 0.91024E-03 ppm1 3.928 ppm2 7.491 CV 1 OR { 3322} (( segid " " and resid 104 and name HB2 )) (( segid " " and resid 107 and name HN )) ASSI { 3326} ( segid " " and resid 105 and name HG2%) ( segid " " and resid 100 and name HD1%) 2.300 0.700 0.700 peak 3326 spectrum 1 weight 0.10000E+01 volume 0.76177E-02 ppm1 1.365 ppm2 0.635 CV 1 ASSI { 3328} ( segid " " and resid 105 and name HG2%) (( segid " " and resid 105 and name HA )) 2.300 0.700 0.700 peak 3328 spectrum 1 weight 0.10000E+01 volume 0.10867E-01 ppm1 1.365 ppm2 4.004 CV 1 ASSI { 3329} ( segid " " and resid 105 and name HG2%) (( segid " " and resid 105 and name HB )) 2.000 0.500 0.500 peak 3329 spectrum 1 weight 0.10000E+01 volume 0.12351E-01 ppm1 1.365 ppm2 4.236 CV 1 ASSI { 3331} ( segid " " and resid 105 and name HG2%) (( segid " " and resid 78 and name HN )) 3.600 1.600 1.600 peak 3331 spectrum 1 weight 0.10000E+01 volume 0.76062E-03 ppm1 1.365 ppm2 7.240 CV 1 ASSI { 3332} ( segid " " and resid 105 and name HG2%) (( segid " " and resid 102 and name HN )) 4.300 2.300 1.700 peak 3332 spectrum 1 weight 0.10000E+01 volume 0.97282E-03 ppm1 1.365 ppm2 7.358 CV 1 ASSI { 3334} ( segid " " and resid 105 and name HG2%) (( segid " " and resid 79 and name HN )) 4.300 2.300 1.700 peak 3334 spectrum 1 weight 0.10000E+01 volume 0.10765E-02 ppm1 1.365 ppm2 8.631 CV 1 ASSI { 3335} ( segid " " and resid 105 and name HG2%) (( segid " " and resid 101 and name HN )) 3.700 1.700 1.700 peak 3335 spectrum 1 weight 0.10000E+01 volume 0.11856E-02 ppm1 1.365 ppm2 8.953 CV 1 ASSI { 3336} ( segid " " and resid 105 and name HG2%) (( segid " " and resid 80 and name HN )) 4.300 2.300 1.700 peak 3336 spectrum 1 weight 0.10000E+01 volume 0.71051E-03 ppm1 1.365 ppm2 9.038 CV 1 ASSI { 3339} ( segid " " and resid 106 and name HG2%) (( segid " " and resid 106 and name HA )) 2.200 0.600 0.600 peak 3339 spectrum 1 weight 0.10000E+01 volume 0.66522E-02 ppm1 0.777 ppm2 4.319 CV 1 ASSI { 3344} (( segid " " and resid 107 and name HA )) (( segid " " and resid 107 and name HB3 )) 2.600 0.900 0.900 peak 3344 spectrum 1 weight 0.10000E+01 volume 0.56550E-02 ppm1 3.948 ppm2 2.187 CV 1 ASSI { 3350} (( segid " " and resid 107 and name HA )) (( segid " " and resid 109 and name HN )) 3.200 1.300 1.300 peak 3350 spectrum 1 weight 0.10000E+01 volume 0.10974E-02 ppm1 3.948 ppm2 8.102 CV 1 ASSI { 3351} (( segid " " and resid 107 and name HB2 )) (( segid " " and resid 107 and name HG2 )) 2.800 0.900 0.900 peak 3351 spectrum 1 weight 0.10000E+01 volume 0.48962E-02 ppm1 2.235 ppm2 2.429 CV 1 ASSI { 3353} (( segid " " and resid 107 and name HB3 )) ( segid " " and resid 138 and name HD2%) 4.600 2.600 1.400 peak 3353 spectrum 1 weight 0.10000E+01 volume 0.89410E-03 ppm1 2.176 ppm2 0.923 CV 1 ASSI { 3354} (( segid " " and resid 107 and name HB2 )) (( segid " " and resid 108 and name HD2 )) 3.700 1.700 1.700 peak 3354 spectrum 1 weight 0.10000E+01 volume 0.28999E-02 ppm1 2.235 ppm2 3.822 CV 1 ASSI { 3355} (( segid " " and resid 107 and name HB2 )) (( segid " " and resid 104 and name HA )) 2.700 0.900 0.900 peak 3355 spectrum 1 weight 0.10000E+01 volume 0.13621E-02 ppm1 2.235 ppm2 4.193 CV 1 ASSI { 3358} (( segid " " and resid 107 and name HB3 )) (( segid " " and resid 108 and name HD3 )) 2.300 0.700 0.700 peak 3358 spectrum 1 weight 0.10000E+01 volume 0.14502E-02 ppm1 2.176 ppm2 3.432 CV 1 ASSI { 3359} (( segid " " and resid 107 and name HB3 )) (( segid " " and resid 108 and name HD2 )) 3.200 1.300 1.300 peak 3359 spectrum 1 weight 0.10000E+01 volume 0.27509E-02 ppm1 2.176 ppm2 3.831 CV 1 ASSI { 3365} (( segid " " and resid 107 and name HG2 )) (( segid " " and resid 107 and name HB3 )) 2.000 0.500 0.500 peak 3365 spectrum 1 weight 0.10000E+01 volume 0.72840E-02 ppm1 2.430 ppm2 2.185 CV 1 ASSI { 3366} (( segid " " and resid 107 and name HG2 )) (( segid " " and resid 110 and name HD3 )) 3.200 1.300 1.300 peak 3366 spectrum 1 weight 0.10000E+01 volume 0.15862E-02 ppm1 2.430 ppm2 1.754 CV 1 OR { 3366} (( segid " " and resid 107 and name HG2 )) (( segid " " and resid 110 and name HG2 )) ASSI { 3369} (( segid " " and resid 107 and name HG2 )) ( segid " " and resid 138 and name HD1%) 4.100 2.100 1.900 peak 3369 spectrum 1 weight 0.10000E+01 volume 0.16452E-02 ppm1 2.430 ppm2 0.790 CV 1 ASSI { 3370} (( segid " " and resid 107 and name HG2 )) (( segid " " and resid 110 and name HE3 )) 4.300 2.300 1.700 peak 3370 spectrum 1 weight 0.10000E+01 volume 0.10116E-02 ppm1 2.430 ppm2 3.024 CV 1 OR { 3370} (( segid " " and resid 107 and name HG2 )) (( segid " " and resid 110 and name HE2 )) ASSI { 3371} (( segid " " and resid 107 and name HG2 )) (( segid " " and resid 108 and name HD2 )) 4.500 2.600 1.500 peak 3371 spectrum 1 weight 0.10000E+01 volume 0.93464E-03 ppm1 2.430 ppm2 3.818 CV 1 ASSI { 3373} (( segid " " and resid 107 and name HG3 )) (( segid " " and resid 108 and name HD2 )) 4.900 3.000 1.100 peak 3373 spectrum 1 weight 0.10000E+01 volume 0.11474E-02 ppm1 2.298 ppm2 3.818 CV 1 ASSI { 3375} (( segid " " and resid 107 and name HG3 )) (( segid " " and resid 110 and name HE3 )) 4.100 2.100 1.900 peak 3375 spectrum 1 weight 0.10000E+01 volume 0.97818E-03 ppm1 2.298 ppm2 3.013 CV 1 OR { 3375} (( segid " " and resid 107 and name HG3 )) (( segid " " and resid 110 and name HE2 )) ASSI { 3376} (( segid " " and resid 107 and name HG3 )) (( segid " " and resid 107 and name HG2 )) 1.400 0.200 0.800 peak 3376 spectrum 1 weight 0.10000E+01 volume 0.30859E-01 ppm1 2.298 ppm2 2.434 CV 1 ASSI { 3380} (( segid " " and resid 107 and name HG3 )) (( segid " " and resid 110 and name HD3 )) 3.700 1.700 1.700 peak 3380 spectrum 1 weight 0.10000E+01 volume 0.18097E-02 ppm1 2.298 ppm2 1.754 CV 1 OR { 3380} (( segid " " and resid 107 and name HG3 )) (( segid " " and resid 110 and name HG2 )) ASSI { 3382} (( segid " " and resid 107 and name HG3 )) ( segid " " and resid 138 and name HD1%) 3.000 1.100 1.100 peak 3382 spectrum 1 weight 0.10000E+01 volume 0.15975E-02 ppm1 2.298 ppm2 0.790 CV 1 ASSI { 3383} ( segid " " and resid 38 and name HG2%) ( segid " " and resid 37 and name HD2%) 4.000 2.000 2.000 peak 3383 spectrum 1 weight 0.10000E+01 volume 0.88043E-03 ppm1 1.238 ppm2 0.246 CV 1 ASSI { 3384} ( segid " " and resid 38 and name HG2%) (( segid " " and resid 37 and name HA )) 3.700 1.700 1.700 peak 3384 spectrum 1 weight 0.10000E+01 volume 0.21453E-02 ppm1 1.238 ppm2 4.265 CV 1 ASSI { 3385} (( segid " " and resid 61 and name HA )) (( segid " " and resid 62 and name HN )) 2.800 1.000 1.000 peak 3385 spectrum 1 weight 0.10000E+01 volume 0.21322E-02 ppm1 4.627 ppm2 7.903 CV 1 ASSI { 3388} (( segid " " and resid 61 and name HG2 )) (( segid " " and resid 61 and name HD2 )) 2.300 0.700 0.700 peak 3388 spectrum 1 weight 0.10000E+01 volume 0.22758E-02 ppm1 1.546 ppm2 3.526 CV 1 ASSI { 3390} (( segid " " and resid 61 and name HG3 )) (( segid " " and resid 61 and name HD2 )) 2.900 1.000 1.000 peak 3390 spectrum 1 weight 0.10000E+01 volume 0.20184E-02 ppm1 1.422 ppm2 3.544 CV 1 ASSI { 3392} (( segid " " and resid 61 and name HG2 )) (( segid " " and resid 61 and name HD3 )) 3.000 1.100 1.100 peak 3392 spectrum 1 weight 0.10000E+01 volume 0.23539E-02 ppm1 1.546 ppm2 3.210 CV 1 ASSI { 3395} (( segid " " and resid 62 and name HB3 )) (( segid " " and resid 62 and name HG3 )) 2.200 0.600 0.600 peak 3395 spectrum 1 weight 0.10000E+01 volume 0.95017E-02 ppm1 1.685 ppm2 1.498 CV 1 OR { 3395} (( segid " " and resid 62 and name HB3 )) (( segid " " and resid 62 and name HG2 )) ASSI { 3396} (( segid " " and resid 62 and name HB3 )) (( segid " " and resid 86 and name HD3 )) 4.300 2.300 1.700 peak 3396 spectrum 1 weight 0.10000E+01 volume 0.84525E-03 ppm1 1.685 ppm2 1.251 CV 1 ASSI { 3398} (( segid " " and resid 62 and name HB3 )) (( segid " " and resid 39 and name HB2 )) 3.300 1.300 1.300 peak 3398 spectrum 1 weight 0.10000E+01 volume 0.12548E-02 ppm1 1.685 ppm2 2.911 CV 1 OR { 3398} (( segid " " and resid 62 and name HB3 )) (( segid " " and resid 39 and name HB3 )) ASSI { 3399} (( segid " " and resid 62 and name HB3 )) (( segid " " and resid 86 and name HE2 )) 4.500 2.500 1.500 peak 3399 spectrum 1 weight 0.10000E+01 volume 0.94301E-03 ppm1 1.685 ppm2 3.034 CV 1 ASSI { 3404} (( segid " " and resid 137 and name HB3 )) (( segid " " and resid 137 and name HA )) 2.400 0.700 0.700 peak 3404 spectrum 1 weight 0.10000E+01 volume 0.91796E-02 ppm1 1.888 ppm2 4.057 CV 1 OR { 3404} (( segid " " and resid 137 and name HB2 )) (( segid " " and resid 137 and name HA )) ASSI { 3408} (( segid " " and resid 62 and name HB2 )) (( segid " " and resid 62 and name HB3 )) 1.600 0.300 0.600 peak 3408 spectrum 1 weight 0.10000E+01 volume 0.19552E-01 ppm1 1.887 ppm2 1.683 CV 1 ASSI { 3409} (( segid " " and resid 62 and name HB2 )) (( segid " " and resid 62 and name HG2 )) 2.300 0.700 0.700 peak 3409 spectrum 1 weight 0.10000E+01 volume 0.77670E-02 ppm1 1.887 ppm2 1.501 CV 1 OR { 3409} (( segid " " and resid 62 and name HB2 )) (( segid " " and resid 62 and name HG3 )) ASSI { 3415} (( segid " " and resid 138 and name HB2 )) (( segid " " and resid 138 and name HB3 )) 1.600 0.300 0.600 peak 3415 spectrum 1 weight 0.10000E+01 volume 0.15021E-01 ppm1 1.780 ppm2 1.672 CV 1 OR { 3415} (( segid " " and resid 138 and name HB2 )) (( segid " " and resid 138 and name HG )) ASSI { 3417} ( segid " " and resid 63 and name HD2%) ( segid " " and resid 47 and name HD1%) 3.600 1.700 1.700 peak 3417 spectrum 1 weight 0.10000E+01 volume 0.12065E-02 ppm1 0.966 ppm2 0.511 CV 1 ASSI { 3418} ( segid " " and resid 63 and name HD2%) ( segid " " and resid 37 and name HD2%) 2.700 0.900 0.900 peak 3418 spectrum 1 weight 0.10000E+01 volume 0.12834E-02 ppm1 0.966 ppm2 0.257 CV 1 ASSI { 3419} (( segid " " and resid 150 and name HA )) (( segid " " and resid 136 and name HZ )) 2.900 1.000 1.000 peak 3419 spectrum 1 weight 0.10000E+01 volume 0.23539E-02 ppm1 3.532 ppm2 6.934 CV 1 ASSI { 3420} (( segid " " and resid 150 and name HA )) ( segid " " and resid 136 and name HE% ) 3.400 1.500 1.500 peak 3420 spectrum 1 weight 0.10000E+01 volume 0.17066E-02 ppm1 3.532 ppm2 7.142 CV 1 ASSI { 3421} (( segid " " and resid 150 and name HA )) (( segid " " and resid 150 and name HN )) 2.900 1.100 1.100 peak 3421 spectrum 1 weight 0.10000E+01 volume 0.21077E-02 ppm1 3.532 ppm2 8.255 CV 1 ASSI { 3426} (( segid " " and resid 150 and name HB2 )) (( segid " " and resid 150 and name HD3 )) 3.000 1.200 1.200 peak 3426 spectrum 1 weight 0.10000E+01 volume 0.19748E-02 ppm1 1.323 ppm2 2.722 CV 1 OR { 3426} (( segid " " and resid 150 and name HB2 )) (( segid " " and resid 150 and name HD2 )) ASSI { 3427} (( segid " " and resid 150 and name HB3 )) (( segid " " and resid 150 and name HB2 )) 1.900 0.400 0.400 peak 3427 spectrum 1 weight 0.10000E+01 volume 0.61456E-02 ppm1 1.074 ppm2 1.323 CV 1 ASSI { 3428} (( segid " " and resid 150 and name HB3 )) (( segid " " and resid 150 and name HG3 )) 3.500 1.500 1.500 peak 3428 spectrum 1 weight 0.10000E+01 volume 0.15093E-02 ppm1 1.074 ppm2 0.361 CV 1 ASSI { 3429} (( segid " " and resid 150 and name HB3 )) (( segid " " and resid 150 and name HG2 )) 3.000 1.100 1.100 peak 3429 spectrum 1 weight 0.10000E+01 volume 0.12875E-02 ppm1 1.074 ppm2 0.478 CV 1 ASSI { 3430} (( segid " " and resid 150 and name HB3 )) (( segid " " and resid 150 and name HD2 )) 2.900 1.100 1.100 peak 3430 spectrum 1 weight 0.10000E+01 volume 0.20672E-02 ppm1 1.074 ppm2 2.713 CV 1 OR { 3430} (( segid " " and resid 150 and name HB3 )) (( segid " " and resid 150 and name HD3 )) ASSI { 3431} (( segid " " and resid 150 and name HG2 )) (( segid " " and resid 150 and name HG3 )) 2.000 0.500 0.500 peak 3431 spectrum 1 weight 0.10000E+01 volume 0.31724E-02 ppm1 0.482 ppm2 0.359 CV 1 ASSI { 3434} (( segid " " and resid 150 and name HG3 )) (( segid " " and resid 150 and name HB2 )) 2.700 0.900 0.900 peak 3434 spectrum 1 weight 0.10000E+01 volume 0.18639E-02 ppm1 0.360 ppm2 1.325 CV 1 ASSI { 3435} (( segid " " and resid 150 and name HG2 )) (( segid " " and resid 150 and name HB2 )) 3.300 1.400 1.400 peak 3435 spectrum 1 weight 0.10000E+01 volume 0.18991E-02 ppm1 0.482 ppm2 1.324 CV 1 ASSI { 3441} (( segid " " and resid 151 and name HB2 )) (( segid " " and resid 153 and name HD3 )) 3.800 1.800 1.800 peak 3441 spectrum 1 weight 0.10000E+01 volume 0.10604E-02 ppm1 2.893 ppm2 1.766 CV 1 OR { 3441} (( segid " " and resid 151 and name HB2 )) (( segid " " and resid 153 and name HD2 )) ASSI { 3442} (( segid " " and resid 151 and name HB2 )) (( segid " " and resid 153 and name HG2 )) 3.200 1.300 1.300 peak 3442 spectrum 1 weight 0.10000E+01 volume 0.13656E-02 ppm1 2.893 ppm2 1.480 CV 1 OR { 3442} (( segid " " and resid 151 and name HB2 )) (( segid " " and resid 153 and name HG3 )) ASSI { 3444} (( segid " " and resid 151 and name HB3 )) (( segid " " and resid 153 and name HG3 )) 3.200 1.300 1.300 peak 3444 spectrum 1 weight 0.10000E+01 volume 0.16052E-02 ppm1 2.538 ppm2 1.503 CV 1 OR { 3444} (( segid " " and resid 151 and name HB3 )) (( segid " " and resid 153 and name HG2 )) ASSI { 3445} (( segid " " and resid 151 and name HB3 )) (( segid " " and resid 153 and name HD3 )) 4.100 2.100 1.900 peak 3445 spectrum 1 weight 0.10000E+01 volume 0.66401E-03 ppm1 2.538 ppm2 1.765 CV 1 OR { 3445} (( segid " " and resid 151 and name HB3 )) (( segid " " and resid 153 and name HD2 )) ASSI { 3448} (( segid " " and resid 151 and name HB2 )) (( segid " " and resid 152 and name HN )) 4.100 2.100 1.900 peak 3448 spectrum 1 weight 0.10000E+01 volume 0.65034E-03 ppm1 2.893 ppm2 8.504 CV 1 ASSI { 3451} (( segid " " and resid 152 and name HB2 )) (( segid " " and resid 152 and name HB3 )) 1.500 0.300 0.700 peak 3451 spectrum 1 weight 0.10000E+01 volume 0.32510E-01 ppm1 3.042 ppm2 2.961 CV 1 ASSI { 3453} (( segid " " and resid 153 and name HB2 )) (( segid " " and resid 153 and name HB3 )) 1.500 0.300 0.700 peak 3453 spectrum 1 weight 0.10000E+01 volume 0.19736E-01 ppm1 2.112 ppm2 1.935 CV 1 ASSI { 3454} (( segid " " and resid 153 and name HB2 )) (( segid " " and resid 153 and name HD2 )) 3.300 1.300 1.300 peak 3454 spectrum 1 weight 0.10000E+01 volume 0.24517E-02 ppm1 2.112 ppm2 1.767 CV 1 OR { 3454} (( segid " " and resid 153 and name HB2 )) (( segid " " and resid 153 and name HD3 )) ASSI { 3455} (( segid " " and resid 153 and name HB2 )) (( segid " " and resid 153 and name HG2 )) 2.400 0.700 0.700 peak 3455 spectrum 1 weight 0.10000E+01 volume 0.58465E-02 ppm1 2.112 ppm2 1.490 CV 1 OR { 3455} (( segid " " and resid 153 and name HB2 )) (( segid " " and resid 153 and name HG3 )) ASSI { 3463} (( segid " " and resid 153 and name HG2 )) (( segid " " and resid 151 and name HB2 )) 3.400 1.400 1.400 peak 3463 spectrum 1 weight 0.10000E+01 volume 0.10658E-02 ppm1 1.511 ppm2 2.895 CV 1 ASSI { 3464} (( segid " " and resid 153 and name HG3 )) (( segid " " and resid 151 and name HB2 )) 3.000 1.100 1.100 peak 3464 spectrum 1 weight 0.10000E+01 volume 0.18419E-02 ppm1 1.467 ppm2 2.896 CV 1 ASSI { 3465} (( segid " " and resid 153 and name HG3 )) (( segid " " and resid 151 and name HB3 )) 3.600 1.600 1.600 peak 3465 spectrum 1 weight 0.10000E+01 volume 0.88043E-03 ppm1 1.467 ppm2 2.545 CV 1 ASSI { 3466} (( segid " " and resid 153 and name HG2 )) (( segid " " and resid 151 and name HB3 )) 3.500 1.500 1.500 peak 3466 spectrum 1 weight 0.10000E+01 volume 0.96861E-03 ppm1 1.511 ppm2 2.540 CV 1 ASSI { 3469} (( segid " " and resid 153 and name HG2 )) (( segid " " and resid 153 and name HB2 )) 2.800 1.000 1.000 peak 3469 spectrum 1 weight 0.10000E+01 volume 0.40909E-02 ppm1 1.511 ppm2 2.107 CV 1 ASSI { 3473} (( segid " " and resid 154 and name HA )) (( segid " " and resid 154 and name HB3 )) 2.300 0.700 0.700 peak 3473 spectrum 1 weight 0.10000E+01 volume 0.76418E-02 ppm1 3.826 ppm2 1.811 CV 1 OR { 3473} (( segid " " and resid 154 and name HA )) (( segid " " and resid 154 and name HB2 )) ASSI { 3474} (( segid " " and resid 154 and name HA )) ( segid " " and resid 155 and name HB% ) 4.300 2.300 1.700 peak 3474 spectrum 1 weight 0.10000E+01 volume 0.20022E-02 ppm1 3.826 ppm2 0.488 CV 1 ASSI { 3477} (( segid " " and resid 153 and name HG2 )) (( segid " " and resid 153 and name HE3 )) 3.100 1.200 1.200 peak 3477 spectrum 1 weight 0.10000E+01 volume 0.28540E-02 ppm1 1.531 ppm2 3.040 CV 1 OR { 3477} (( segid " " and resid 153 and name HG2 )) (( segid " " and resid 153 and name HE2 )) ASSI { 3479} (( segid " " and resid 153 and name HD2 )) (( segid " " and resid 153 and name HE3 )) 2.200 0.600 0.600 peak 3479 spectrum 1 weight 0.10000E+01 volume 0.11832E-01 ppm1 1.765 ppm2 3.052 CV 1 OR { 3479} (( segid " " and resid 153 and name HD3 )) (( segid " " and resid 153 and name HE2 )) OR { 3479} (( segid " " and resid 153 and name HD3 )) (( segid " " and resid 153 and name HE3 )) OR { 3479} (( segid " " and resid 153 and name HD2 )) (( segid " " and resid 153 and name HE2 )) ASSI { 3480} (( segid " " and resid 154 and name HA )) (( segid " " and resid 153 and name HA )) 4.300 2.300 1.700 peak 3480 spectrum 1 weight 0.10000E+01 volume 0.93705E-03 ppm1 3.826 ppm2 4.699 CV 1 ASSI { 3481} (( segid " " and resid 154 and name HA )) (( segid " " and resid 148 and name HA )) 2.600 0.800 0.800 peak 3481 spectrum 1 weight 0.10000E+01 volume 0.36027E-02 ppm1 3.826 ppm2 5.416 CV 1 ASSI { 3484} (( segid " " and resid 148 and name HB3 )) (( segid " " and resid 152 and name HA )) 2.600 0.900 0.900 peak 3484 spectrum 1 weight 0.10000E+01 volume 0.23712E-02 ppm1 2.915 ppm2 4.349 CV 1 OR { 3484} (( segid " " and resid 148 and name HB2 )) (( segid " " and resid 152 and name HA )) ASSI { 3485} (( segid " " and resid 148 and name HB2 )) (( segid " " and resid 132 and name HH11)) 3.400 1.400 1.400 peak 3485 spectrum 1 weight 0.10000E+01 volume 0.88458E-03 ppm1 2.915 ppm2 6.233 CV 1 OR { 3485} (( segid " " and resid 148 and name HB2 )) (( segid " " and resid 132 and name HH21)) OR { 3485} (( segid " " and resid 148 and name HB3 )) (( segid " " and resid 132 and name HH21)) OR { 3485} (( segid " " and resid 148 and name HB2 )) (( segid " " and resid 132 and name HH12)) OR { 3485} (( segid " " and resid 148 and name HB3 )) (( segid " " and resid 132 and name HH11)) ASSI { 3487} (( segid " " and resid 149 and name HA )) (( segid " " and resid 144 and name HA )) 2.600 0.900 0.900 peak 3487 spectrum 1 weight 0.10000E+01 volume 0.24135E-02 ppm1 5.552 ppm2 4.811 CV 1 ASSI { 3488} (( segid " " and resid 149 and name HA )) ( segid " " and resid 144 and name HD% ) 3.100 1.200 1.200 peak 3488 spectrum 1 weight 0.10000E+01 volume 0.20398E-02 ppm1 5.552 ppm2 6.838 CV 1 OR { 3488} (( segid " " and resid 149 and name HA )) ( segid " " and resid 144 and name HE% ) ASSI { 3489} (( segid " " and resid 149 and name HB2 )) ( segid " " and resid 144 and name HD% ) 3.300 1.400 1.400 peak 3489 spectrum 1 weight 0.10000E+01 volume 0.18288E-02 ppm1 3.349 ppm2 6.838 CV 1 OR { 3489} (( segid " " and resid 149 and name HB2 )) ( segid " " and resid 144 and name HE% ) ASSI { 3490} (( segid " " and resid 149 and name HB3 )) ( segid " " and resid 144 and name HD% ) 3.000 1.100 1.100 peak 3490 spectrum 1 weight 0.10000E+01 volume 0.24862E-02 ppm1 2.698 ppm2 6.838 CV 1 OR { 3490} (( segid " " and resid 149 and name HB3 )) ( segid " " and resid 144 and name HE% ) ASSI { 3491} (( segid " " and resid 149 and name HB2 )) (( segid " " and resid 149 and name HB3 )) 2.000 0.500 0.500 peak 3491 spectrum 1 weight 0.10000E+01 volume 0.49576E-02 ppm1 3.349 ppm2 2.690 CV 1 ASSI { 3495} (( segid " " and resid 153 and name HG3 )) (( segid " " and resid 153 and name HN )) 3.200 1.300 1.300 peak 3495 spectrum 1 weight 0.10000E+01 volume 0.15879E-02 ppm1 1.468 ppm2 8.793 CV 1 ASSI { 3497} (( segid " " and resid 153 and name HG2 )) (( segid " " and resid 153 and name HN )) 3.000 1.200 1.200 peak 3497 spectrum 1 weight 0.10000E+01 volume 0.16667E-02 ppm1 1.511 ppm2 8.794 CV 1 ASSI { 3499} (( segid " " and resid 153 and name HG3 )) (( segid " " and resid 154 and name HN )) 4.600 2.600 1.400 peak 3499 spectrum 1 weight 0.10000E+01 volume 0.10157E-02 ppm1 1.468 ppm2 9.015 CV 1 ASSI { 3501} (( segid " " and resid 153 and name HD2 )) (( segid " " and resid 154 and name HN )) 2.600 2.600 3.400 peak 3501 spectrum 1 weight 0.10000E+01 volume 0.14902E-02 ppm1 1.765 ppm2 9.024 CV 1 OR { 3501} (( segid " " and resid 153 and name HD3 )) (( segid " " and resid 154 and name HN )) ASSI { 3507} (( segid " " and resid 154 and name HB3 )) (( segid " " and resid 155 and name HN )) 4.000 2.000 2.000 peak 3507 spectrum 1 weight 0.10000E+01 volume 0.17769E-02 ppm1 1.803 ppm2 7.752 CV 1 ASSI { 3508} (( segid " " and resid 154 and name HB2 )) (( segid " " and resid 155 and name HN )) 4.200 2.200 1.800 peak 3508 spectrum 1 weight 0.10000E+01 volume 0.16988E-02 ppm1 1.838 ppm2 7.752 CV 1 ASSI { 3510} (( segid " " and resid 154 and name HB3 )) ( segid " " and resid 148 and name HE% ) 4.600 2.600 1.400 peak 3510 spectrum 1 weight 0.10000E+01 volume 0.11933E-02 ppm1 1.803 ppm2 6.915 CV 1 ASSI { 3511} (( segid " " and resid 154 and name HB2 )) ( segid " " and resid 148 and name HE% ) 3.300 1.300 1.300 peak 3511 spectrum 1 weight 0.10000E+01 volume 0.84224E-03 ppm1 1.837 ppm2 6.915 CV 1 ASSI { 3516} (( segid " " and resid 154 and name HG3 )) (( segid " " and resid 154 and name HG2 )) 1.300 0.200 0.900 peak 3516 spectrum 1 weight 0.10000E+01 volume 0.71708E-01 ppm1 2.115 ppm2 2.229 CV 1 ASSI { 3520} (( segid " " and resid 155 and name HA )) (( segid " " and resid 156 and name HA )) 3.800 1.800 1.800 peak 3520 spectrum 1 weight 0.10000E+01 volume 0.10997E-02 ppm1 3.903 ppm2 4.388 CV 1 ASSI { 3521} (( segid " " and resid 155 and name HA )) (( segid " " and resid 156 and name HD2 )) 2.100 0.600 0.600 peak 3521 spectrum 1 weight 0.10000E+01 volume 0.88639E-02 ppm1 3.903 ppm2 3.635 CV 1 ASSI { 3522} (( segid " " and resid 155 and name HA )) (( segid " " and resid 156 and name HD3 )) 2.200 0.600 0.600 peak 3522 spectrum 1 weight 0.10000E+01 volume 0.73376E-02 ppm1 3.903 ppm2 3.109 CV 1 ASSI { 3523} (( segid " " and resid 155 and name HA )) (( segid " " and resid 156 and name HG3 )) 4.500 2.500 1.500 peak 3523 spectrum 1 weight 0.10000E+01 volume 0.16768E-02 ppm1 3.903 ppm2 1.887 CV 1 OR { 3523} (( segid " " and resid 155 and name HA )) (( segid " " and resid 156 and name HB3 )) ASSI { 3524} (( segid " " and resid 155 and name HA )) (( segid " " and resid 156 and name HG2 )) 4.700 2.700 1.300 peak 3524 spectrum 1 weight 0.10000E+01 volume 0.13621E-02 ppm1 3.903 ppm2 1.987 CV 1 ASSI { 3525} (( segid " " and resid 155 and name HA )) ( segid " " and resid 144 and name HE% ) 2.900 1.000 1.000 peak 3525 spectrum 1 weight 0.10000E+01 volume 0.30460E-02 ppm1 3.903 ppm2 6.831 CV 1 OR { 3525} (( segid " " and resid 155 and name HA )) ( segid " " and resid 144 and name HD% ) ASSI { 3526} ( segid " " and resid 155 and name HB% ) (( segid " " and resid 156 and name HG3 )) 4.400 2.400 1.600 peak 3526 spectrum 1 weight 0.10000E+01 volume 0.17608E-02 ppm1 0.494 ppm2 1.874 CV 1 OR { 3526} ( segid " " and resid 155 and name HB% ) (( segid " " and resid 156 and name HB3 )) ASSI { 3527} ( segid " " and resid 155 and name HB% ) (( segid " " and resid 156 and name HG2 )) 4.800 2.900 1.200 peak 3527 spectrum 1 weight 0.10000E+01 volume 0.77310E-03 ppm1 0.494 ppm2 2.010 CV 1 ASSI { 3531} ( segid " " and resid 155 and name HB% ) (( segid " " and resid 144 and name HB2 )) 4.000 2.000 2.000 peak 3531 spectrum 1 weight 0.10000E+01 volume 0.10837E-02 ppm1 0.494 ppm2 2.829 CV 1 ASSI { 3532} ( segid " " and resid 155 and name HB% ) (( segid " " and resid 156 and name HD3 )) 3.600 1.600 1.600 peak 3532 spectrum 1 weight 0.10000E+01 volume 0.52717E-02 ppm1 0.494 ppm2 3.102 CV 1 ASSI { 3533} ( segid " " and resid 155 and name HB% ) (( segid " " and resid 156 and name HD2 )) 2.900 1.100 1.100 peak 3533 spectrum 1 weight 0.10000E+01 volume 0.45946E-02 ppm1 0.494 ppm2 3.633 CV 1 ASSI { 3534} ( segid " " and resid 155 and name HB% ) (( segid " " and resid 147 and name HA1 )) 3.200 1.200 1.200 peak 3534 spectrum 1 weight 0.10000E+01 volume 0.10467E-02 ppm1 0.494 ppm2 4.255 CV 1 ASSI { 3536} ( segid " " and resid 155 and name HB% ) (( segid " " and resid 144 and name HA )) 3.000 3.000 3.000 peak 3536 spectrum 1 weight 0.10000E+01 volume 0.67714E-03 ppm1 0.494 ppm2 4.816 CV 1 ASSI { 3538} ( segid " " and resid 155 and name HB% ) (( segid " " and resid 148 and name HA )) 3.800 1.800 1.800 peak 3538 spectrum 1 weight 0.10000E+01 volume 0.85181E-03 ppm1 0.494 ppm2 5.410 CV 1 ASSI { 3539} ( segid " " and resid 155 and name HB% ) (( segid " " and resid 144 and name HB3 )) 3.200 1.200 1.200 peak 3539 spectrum 1 weight 0.10000E+01 volume 0.19152E-02 ppm1 0.494 ppm2 2.611 CV 1 ASSI { 3540} ( segid " " and resid 155 and name HB% ) (( segid " " and resid 156 and name HB2 )) 3.900 1.900 1.900 peak 3540 spectrum 1 weight 0.10000E+01 volume 0.75285E-03 ppm1 0.494 ppm2 2.229 CV 1 ASSI { 3541} ( segid " " and resid 155 and name HB% ) ( segid " " and resid 144 and name HD% ) 2.800 1.000 1.000 peak 3541 spectrum 1 weight 0.10000E+01 volume 0.41720E-02 ppm1 0.494 ppm2 6.843 CV 1 OR { 3541} ( segid " " and resid 155 and name HB% ) ( segid " " and resid 144 and name HE% ) ASSI { 3542} (( segid " " and resid 156 and name HD2 )) (( segid " " and resid 156 and name HA )) 4.000 2.000 2.000 peak 3542 spectrum 1 weight 0.10000E+01 volume 0.83568E-03 ppm1 3.639 ppm2 4.385 CV 1 ASSI { 3544} (( segid " " and resid 156 and name HD3 )) (( segid " " and resid 156 and name HD2 )) 1.600 0.300 0.600 peak 3544 spectrum 1 weight 0.10000E+01 volume 0.15647E-01 ppm1 3.107 ppm2 3.644 CV 1 ASSI { 3553} (( segid " " and resid 159 and name HB2 )) ( segid " " and resid 160 and name HG2%) 4.300 2.300 1.700 peak 3553 spectrum 1 weight 0.10000E+01 volume 0.86429E-03 ppm1 2.663 ppm2 0.872 CV 1 OR { 3553} (( segid " " and resid 159 and name HB2 )) ( segid " " and resid 160 and name HG1%) ASSI { 3559} (( segid " " and resid 159 and name HB3 )) ( segid " " and resid 160 and name HG1%) 3.600 1.600 1.600 peak 3559 spectrum 1 weight 0.10000E+01 volume 0.20994E-02 ppm1 2.610 ppm2 0.877 CV 1 OR { 3559} (( segid " " and resid 159 and name HB3 )) ( segid " " and resid 160 and name HG2%) ASSI { 3569} (( segid " " and resid 161 and name HG3 )) (( segid " " and resid 161 and name HA )) 3.200 1.300 1.300 peak 3569 spectrum 1 weight 0.10000E+01 volume 0.20481E-02 ppm1 2.215 ppm2 4.213 CV 1 OR { 3569} (( segid " " and resid 161 and name HG2 )) (( segid " " and resid 161 and name HA )) ASSI { 3580} (( segid " " and resid 164 and name HA )) (( segid " " and resid 153 and name HE3 )) 2.800 2.800 3.200 peak 3580 spectrum 1 weight 0.10000E+01 volume 0.10593E-02 ppm1 3.984 ppm2 3.048 CV 1 OR { 3580} (( segid " " and resid 164 and name HA )) (( segid " " and resid 153 and name HE2 )) ASSI { 3581} (( segid " " and resid 164 and name HA )) (( segid " " and resid 164 and name HB )) 2.800 0.900 0.900 peak 3581 spectrum 1 weight 0.10000E+01 volume 0.40313E-02 ppm1 3.984 ppm2 2.020 CV 1 ASSI { 3582} (( segid " " and resid 164 and name HA )) (( segid " " and resid 153 and name HD2 )) 2.900 2.900 3.100 peak 3582 spectrum 1 weight 0.10000E+01 volume 0.87622E-03 ppm1 3.984 ppm2 1.791 CV 1 OR { 3582} (( segid " " and resid 164 and name HA )) (( segid " " and resid 153 and name HD3 )) ASSI { 3583} (( segid " " and resid 164 and name HA )) ( segid " " and resid 164 and name HG1%) 2.900 1.000 1.000 peak 3583 spectrum 1 weight 0.10000E+01 volume 0.43723E-02 ppm1 3.984 ppm2 0.857 CV 1 OR { 3583} (( segid " " and resid 164 and name HA )) ( segid " " and resid 164 and name HG2%) ASSI { 3585} (( segid " " and resid 164 and name HA )) (( segid " " and resid 164 and name HN )) 2.900 1.000 1.000 peak 3585 spectrum 1 weight 0.10000E+01 volume 0.29196E-02 ppm1 3.984 ppm2 7.493 CV 1 ASSI { 3591} ( segid " " and resid 145 and name HD1%) ( segid " " and resid 120 and name HD1%) 3.300 1.400 1.400 peak 3591 spectrum 1 weight 0.10000E+01 volume 0.13871E-02 ppm1 -0.080 ppm2 0.908 CV 1 ASSI { 3592} ( segid " " and resid 145 and name HD1%) (( segid " " and resid 145 and name HG )) 2.300 0.600 0.600 peak 3592 spectrum 1 weight 0.10000E+01 volume 0.64973E-02 ppm1 -0.080 ppm2 1.105 CV 1 ASSI { 3593} ( segid " " and resid 145 and name HD1%) (( segid " " and resid 132 and name HG3 )) 3.500 1.600 1.600 peak 3593 spectrum 1 weight 0.10000E+01 volume 0.29959E-02 ppm1 -0.080 ppm2 1.339 CV 1 ASSI { 3595} ( segid " " and resid 145 and name HD1%) (( segid " " and resid 132 and name HB2 )) 3.700 1.700 1.700 peak 3595 spectrum 1 weight 0.10000E+01 volume 0.27468E-02 ppm1 -0.080 ppm2 1.704 CV 1 ASSI { 3596} ( segid " " and resid 145 and name HD1%) (( segid " " and resid 132 and name HA )) 2.300 0.700 0.700 peak 3596 spectrum 1 weight 0.10000E+01 volume 0.60980E-02 ppm1 -0.080 ppm2 2.756 CV 1 ASSI { 3598} ( segid " " and resid 145 and name HD1%) (( segid " " and resid 132 and name HD2 )) 3.800 1.800 1.800 peak 3598 spectrum 1 weight 0.10000E+01 volume 0.85718E-03 ppm1 -0.080 ppm2 3.559 CV 1 ASSI { 3600} ( segid " " and resid 145 and name HD1%) (( segid " " and resid 145 and name HA )) 4.300 2.300 1.700 peak 3600 spectrum 1 weight 0.10000E+01 volume 0.11874E-02 ppm1 -0.080 ppm2 5.566 CV 1 ASSI { 3603} ( segid " " and resid 145 and name HD1%) ( segid " " and resid 136 and name HE% ) 3.200 1.300 1.300 peak 3603 spectrum 1 weight 0.10000E+01 volume 0.14020E-02 ppm1 -0.080 ppm2 7.145 CV 1 ASSI { 3606} ( segid " " and resid 145 and name HD1%) (( segid " " and resid 145 and name HN )) 4.600 2.600 1.400 peak 3606 spectrum 1 weight 0.10000E+01 volume 0.70099E-03 ppm1 -0.080 ppm2 8.987 CV 1 ASSI { 3607} ( segid " " and resid 145 and name HD1%) (( segid " " and resid 132 and name HH12)) 2.800 1.000 1.000 peak 3607 spectrum 1 weight 0.10000E+01 volume 0.10753E-02 ppm1 -0.080 ppm2 6.233 CV 1 OR { 3607} ( segid " " and resid 145 and name HD1%) (( segid " " and resid 132 and name HH22)) OR { 3607} ( segid " " and resid 145 and name HD1%) (( segid " " and resid 132 and name HH11)) ASSI { 3609} ( segid " " and resid 145 and name HD1%) (( segid " " and resid 136 and name HZ )) 3.200 1.300 1.300 peak 3609 spectrum 1 weight 0.10000E+01 volume 0.12703E-02 ppm1 -0.080 ppm2 6.928 CV 1 ASSI { 3611} (( segid " " and resid 147 and name HA2 )) ( segid " " and resid 155 and name HB% ) 4.100 2.100 1.900 peak 3611 spectrum 1 weight 0.10000E+01 volume 0.10974E-02 ppm1 3.554 ppm2 0.490 CV 1 ASSI { 3617} (( segid " " and resid 149 and name HB3 )) (( segid " " and resid 150 and name HN )) 3.400 1.500 1.500 peak 3617 spectrum 1 weight 0.10000E+01 volume 0.17066E-02 ppm1 2.698 ppm2 8.258 CV 1 ASSI { 3618} (( segid " " and resid 148 and name HA )) ( segid " " and resid 144 and name HD% ) 3.400 1.500 1.500 peak 3618 spectrum 1 weight 0.10000E+01 volume 0.14538E-02 ppm1 5.417 ppm2 6.860 CV 1 ASSI { 3628} (( segid " " and resid 149 and name HA )) (( segid " " and resid 149 and name HN )) 3.000 1.100 1.100 peak 3628 spectrum 1 weight 0.10000E+01 volume 0.14330E-02 ppm1 5.552 ppm2 9.582 CV 1 ASSI { 3629} (( segid " " and resid 145 and name HB3 )) (( segid " " and resid 136 and name HZ )) 4.300 2.300 1.700 peak 3629 spectrum 1 weight 0.10000E+01 volume 0.67714E-03 ppm1 0.428 ppm2 6.938 CV 1 ASSI { 3630} (( segid " " and resid 145 and name HB3 )) ( segid " " and resid 136 and name HE% ) 4.700 2.700 1.300 peak 3630 spectrum 1 weight 0.10000E+01 volume 0.65209E-03 ppm1 0.428 ppm2 7.155 CV 1 ASSI { 3633} (( segid " " and resid 145 and name HB2 )) ( segid " " and resid 136 and name HE% ) 4.000 2.000 2.000 peak 3633 spectrum 1 weight 0.10000E+01 volume 0.72304E-03 ppm1 1.479 ppm2 7.158 CV 1 ASSI { 3638} (( segid " " and resid 30 and name HB )) ( segid " " and resid 30 and name HG2%) 2.900 1.100 1.100 peak 3638 spectrum 1 weight 0.10000E+01 volume 0.23461E-02 ppm1 2.081 ppm2 0.955 CV 1 OR { 3638} (( segid " " and resid 30 and name HB )) ( segid " " and resid 30 and name HD1%) ASSI { 3640} (( segid " " and resid 142 and name HA )) (( segid " " and resid 116 and name HA )) 2.400 0.700 0.700 peak 3640 spectrum 1 weight 0.10000E+01 volume 0.41774E-02 ppm1 3.843 ppm2 4.838 CV 1 ASSI { 3641} (( segid " " and resid 67 and name HB3 )) (( segid " " and resid 45 and name HA )) 3.900 1.900 1.900 peak 3641 spectrum 1 weight 0.10000E+01 volume 0.57969E-03 ppm1 1.985 ppm2 5.126 CV 1 OR { 3641} (( segid " " and resid 67 and name HB2 )) (( segid " " and resid 45 and name HA )) ASSI { 3642} (( segid " " and resid 116 and name HB3 )) (( segid " " and resid 91 and name HA )) 4.900 3.000 1.100 peak 3642 spectrum 1 weight 0.10000E+01 volume 0.57563E-03 ppm1 1.985 ppm2 5.255 CV 1 OR { 3642} (( segid " " and resid 116 and name HB2 )) (( segid " " and resid 91 and name HA )) ASSI { 3647} (( segid " " and resid 67 and name HB2 )) (( segid " " and resid 90 and name HA )) 4.300 2.300 1.700 peak 3647 spectrum 1 weight 0.10000E+01 volume 0.10241E-02 ppm1 1.985 ppm2 3.981 CV 1 OR { 3647} (( segid " " and resid 67 and name HB3 )) (( segid " " and resid 90 and name HA )) ASSI { 3648} (( segid " " and resid 116 and name HB2 )) (( segid " " and resid 142 and name HA )) 4.700 2.800 1.300 peak 3648 spectrum 1 weight 0.10000E+01 volume 0.74388E-03 ppm1 1.977 ppm2 3.836 CV 1 OR { 3648} (( segid " " and resid 116 and name HB3 )) (( segid " " and resid 142 and name HA )) ASSI { 3650} (( segid " " and resid 67 and name HG2 )) (( segid " " and resid 67 and name HA )) 3.400 1.400 1.400 peak 3650 spectrum 1 weight 0.10000E+01 volume 0.13388E-02 ppm1 1.778 ppm2 4.836 CV 1 ASSI { 3653} (( segid " " and resid 67 and name HG2 )) (( segid " " and resid 67 and name HN )) 3.500 1.500 1.500 peak 3653 spectrum 1 weight 0.10000E+01 volume 0.77194E-03 ppm1 1.778 ppm2 9.157 CV 1 ASSI { 3656} (( segid " " and resid 116 and name HG2 )) (( segid " " and resid 117 and name HN )) 4.400 2.400 1.600 peak 3656 spectrum 1 weight 0.10000E+01 volume 0.48152E-03 ppm1 1.704 ppm2 8.303 CV 1 ASSI { 3657} (( segid " " and resid 116 and name HG2 )) (( segid " " and resid 116 and name HN )) 3.000 1.100 1.100 peak 3657 spectrum 1 weight 0.10000E+01 volume 0.10104E-02 ppm1 1.704 ppm2 9.012 CV 1 ASSI { 3658} (( segid " " and resid 116 and name HG3 )) (( segid " " and resid 117 and name HN )) 4.000 2.000 2.000 peak 3658 spectrum 1 weight 0.10000E+01 volume 0.52487E-03 ppm1 1.625 ppm2 8.319 CV 1 ASSI { 3659} (( segid " " and resid 116 and name HG3 )) (( segid " " and resid 116 and name HN )) 3.300 1.400 1.400 peak 3659 spectrum 1 weight 0.10000E+01 volume 0.83989E-03 ppm1 1.625 ppm2 9.012 CV 1 ASSI { 3662} (( segid " " and resid 67 and name HG3 )) (( segid " " and resid 67 and name HN )) 3.500 1.600 1.600 peak 3662 spectrum 1 weight 0.10000E+01 volume 0.82857E-03 ppm1 1.645 ppm2 9.157 CV 1 ASSI { 3666} (( segid " " and resid 116 and name HB3 )) ( segid " " and resid 144 and name HD% ) 3.700 1.700 1.700 peak 3666 spectrum 1 weight 0.10000E+01 volume 0.85597E-03 ppm1 1.977 ppm2 6.825 CV 1 OR { 3666} (( segid " " and resid 116 and name HB2 )) ( segid " " and resid 144 and name HD% ) OR { 3666} (( segid " " and resid 116 and name HB3 )) ( segid " " and resid 144 and name HE% ) OR { 3666} (( segid " " and resid 116 and name HB2 )) ( segid " " and resid 144 and name HE% ) ASSI { 3667} (( segid " " and resid 148 and name HB3 )) (( segid " " and resid 152 and name HN )) 4.400 2.400 1.600 peak 3667 spectrum 1 weight 0.10000E+01 volume 0.10753E-02 ppm1 2.915 ppm2 8.498 CV 1 OR { 3667} (( segid " " and resid 148 and name HB2 )) (( segid " " and resid 152 and name HN )) ASSI { 3668} (( segid " " and resid 148 and name HB3 )) (( segid " " and resid 153 and name HN )) 4.100 2.100 1.900 peak 3668 spectrum 1 weight 0.10000E+01 volume 0.56816E-03 ppm1 2.915 ppm2 8.801 CV 1 OR { 3668} (( segid " " and resid 148 and name HB2 )) (( segid " " and resid 153 and name HN )) ASSI { 3669} (( segid " " and resid 150 and name HD3 )) (( segid " " and resid 150 and name HN )) 5.300 3.500 0.700 peak 3669 spectrum 1 weight 0.10000E+01 volume 0.53499E-03 ppm1 2.707 ppm2 8.257 CV 1 ASSI { 3670} (( segid " " and resid 150 and name HD2 )) (( segid " " and resid 150 and name HN )) 4.700 2.700 1.300 peak 3670 spectrum 1 weight 0.10000E+01 volume 0.53434E-03 ppm1 2.737 ppm2 8.257 CV 1 ASSI { 3675} (( segid " " and resid 89 and name HB3 )) (( segid " " and resid 89 and name HD21)) 3.400 1.500 1.500 peak 3675 spectrum 1 weight 0.10000E+01 volume 0.18747E-02 ppm1 2.609 ppm2 8.158 CV 1 ASSI { 3679} (( segid " " and resid 89 and name HB2 )) (( segid " " and resid 88 and name HG2 )) 4.200 2.200 1.800 peak 3679 spectrum 1 weight 0.10000E+01 volume 0.42799E-03 ppm1 2.797 ppm2 1.996 CV 1 ASSI { 3681} (( segid " " and resid 89 and name HB2 )) (( segid " " and resid 89 and name HD21)) 2.700 0.900 0.900 peak 3681 spectrum 1 weight 0.10000E+01 volume 0.19611E-02 ppm1 2.797 ppm2 8.155 CV 1 ASSI { 3684} (( segid " " and resid 90 and name HG )) (( segid " " and resid 90 and name HN )) 4.400 2.400 1.600 peak 3684 spectrum 1 weight 0.10000E+01 volume 0.82556E-03 ppm1 1.680 ppm2 7.175 CV 1 ASSI { 3688} (( segid " " and resid 117 and name HA )) ( segid " " and resid 144 and name HD% ) 4.000 2.000 2.000 peak 3688 spectrum 1 weight 0.10000E+01 volume 0.86549E-03 ppm1 5.807 ppm2 6.850 CV 1 ASSI { 3689} (( segid " " and resid 117 and name HB2 )) (( segid " " and resid 118 and name HN )) 4.300 2.300 1.700 peak 3689 spectrum 1 weight 0.10000E+01 volume 0.86850E-03 ppm1 3.731 ppm2 8.449 CV 1 ASSI { 3691} (( segid " " and resid 117 and name HB2 )) ( segid " " and resid 144 and name HD% ) 4.000 2.000 2.000 peak 3691 spectrum 1 weight 0.10000E+01 volume 0.93048E-03 ppm1 3.731 ppm2 6.831 CV 1 OR { 3691} (( segid " " and resid 117 and name HB2 )) ( segid " " and resid 144 and name HE% ) ASSI { 3694} (( segid " " and resid 117 and name HB3 )) ( segid " " and resid 144 and name HD% ) 3.900 1.900 1.900 peak 3694 spectrum 1 weight 0.10000E+01 volume 0.10378E-02 ppm1 3.630 ppm2 6.831 CV 1 OR { 3694} (( segid " " and resid 117 and name HB3 )) ( segid " " and resid 144 and name HE% ) ASSI { 3695} (( segid " " and resid 117 and name HB2 )) (( segid " " and resid 144 and name HB3 )) 4.600 2.700 1.400 peak 3695 spectrum 1 weight 0.10000E+01 volume 0.11582E-02 ppm1 3.731 ppm2 2.601 CV 1 ASSI { 3696} (( segid " " and resid 117 and name HB2 )) (( segid " " and resid 144 and name HB2 )) 4.000 4.000 2.000 peak 3696 spectrum 1 weight 0.10000E+01 volume 0.77074E-03 ppm1 3.731 ppm2 2.788 CV 1 ASSI { 3698} (( segid " " and resid 117 and name HB3 )) (( segid " " and resid 117 and name HB2 )) 1.900 0.500 0.500 peak 3698 spectrum 1 weight 0.10000E+01 volume 0.68130E-02 ppm1 3.630 ppm2 3.719 CV 1 ASSI { 3700} (( segid " " and resid 117 and name HB3 )) (( segid " " and resid 144 and name HB2 )) 3.500 1.500 1.500 peak 3700 spectrum 1 weight 0.10000E+01 volume 0.72900E-03 ppm1 3.630 ppm2 2.812 CV 1 ASSI { 3704} (( segid " " and resid 118 and name HB2 )) (( segid " " and resid 118 and name HG )) 2.800 0.900 0.900 peak 3704 spectrum 1 weight 0.10000E+01 volume 0.22514E-02 ppm1 1.667 ppm2 1.280 CV 1 ASSI { 3705} (( segid " " and resid 118 and name HB2 )) (( segid " " and resid 118 and name HB3 )) 1.900 0.500 0.500 peak 3705 spectrum 1 weight 0.10000E+01 volume 0.47275E-02 ppm1 1.667 ppm2 1.097 CV 1 ASSI { 3709} (( segid " " and resid 118 and name HB3 )) (( segid " " and resid 118 and name HG )) 2.900 1.100 1.100 peak 3709 spectrum 1 weight 0.10000E+01 volume 0.25441E-02 ppm1 1.095 ppm2 1.281 CV 1 ASSI { 3711} (( segid " " and resid 118 and name HB3 )) ( segid " " and resid 118 and name HD2%) 2.700 0.900 0.900 peak 3711 spectrum 1 weight 0.10000E+01 volume 0.31032E-02 ppm1 1.095 ppm2 0.880 CV 1 ASSI { 3715} ( segid " " and resid 118 and name HD1%) ( segid " " and resid 118 and name HD2%) 2.200 0.600 0.600 peak 3715 spectrum 1 weight 0.10000E+01 volume 0.17209E-01 ppm1 0.593 ppm2 0.882 CV 1 ASSI { 3716} ( segid " " and resid 118 and name HD1%) (( segid " " and resid 118 and name HB3 )) 2.800 1.000 1.000 peak 3716 spectrum 1 weight 0.10000E+01 volume 0.43454E-02 ppm1 0.593 ppm2 1.095 CV 1 ASSI { 3717} ( segid " " and resid 118 and name HD1%) (( segid " " and resid 118 and name HG )) 2.300 0.600 0.600 peak 3717 spectrum 1 weight 0.10000E+01 volume 0.83748E-02 ppm1 0.593 ppm2 1.275 CV 1 ASSI { 3719} ( segid " " and resid 118 and name HD1%) (( segid " " and resid 118 and name HB2 )) 2.500 0.800 0.800 peak 3719 spectrum 1 weight 0.10000E+01 volume 0.50954E-02 ppm1 0.593 ppm2 1.667 CV 1 ASSI { 3721} ( segid " " and resid 118 and name HD1%) ( segid " " and resid 135 and name HG2%) 2.900 1.100 1.100 peak 3721 spectrum 1 weight 0.10000E+01 volume 0.43669E-02 ppm1 0.593 ppm2 0.438 CV 1 ASSI { 3722} ( segid " " and resid 118 and name HD1%) ( segid " " and resid 145 and name HD1%) 4.300 2.300 1.700 peak 3722 spectrum 1 weight 0.10000E+01 volume 0.67419E-03 ppm1 0.593 ppm2 -0.066 CV 1 ASSI { 3724} ( segid " " and resid 118 and name HD1%) (( segid " " and resid 118 and name HA )) 3.700 1.700 1.700 peak 3724 spectrum 1 weight 0.10000E+01 volume 0.13966E-02 ppm1 0.593 ppm2 5.395 CV 1 ASSI { 3729} (( segid " " and resid 98 and name HA )) (( segid " " and resid 98 and name HB2 )) 3.100 1.200 1.200 peak 3729 spectrum 1 weight 0.10000E+01 volume 0.25858E-02 ppm1 5.396 ppm2 3.022 CV 1 ASSI { 3731} (( segid " " and resid 98 and name HA )) (( segid " " and resid 123 and name HA )) 4.200 2.200 1.800 peak 3731 spectrum 1 weight 0.10000E+01 volume 0.89947E-03 ppm1 5.396 ppm2 4.731 CV 1 ASSI { 3736} (( segid " " and resid 118 and name HA )) (( segid " " and resid 119 and name HN )) 2.300 0.600 0.600 peak 3736 spectrum 1 weight 0.10000E+01 volume 0.54170E-02 ppm1 5.404 ppm2 8.176 CV 1 ASSI { 3743} (( segid " " and resid 118 and name HA )) (( segid " " and resid 118 and name HB3 )) 3.000 1.100 1.100 peak 3743 spectrum 1 weight 0.10000E+01 volume 0.19373E-02 ppm1 5.403 ppm2 1.099 CV 1 ASSI { 3744} (( segid " " and resid 118 and name HA )) ( segid " " and resid 118 and name HD2%) 2.700 0.900 0.900 peak 3744 spectrum 1 weight 0.10000E+01 volume 0.49272E-02 ppm1 5.403 ppm2 0.880 CV 1 ASSI { 3748} ( segid " " and resid 118 and name HD2%) (( segid " " and resid 118 and name HB2 )) 2.800 1.000 1.000 peak 3748 spectrum 1 weight 0.10000E+01 volume 0.65865E-02 ppm1 0.885 ppm2 1.659 CV 1 ASSI { 3750} ( segid " " and resid 118 and name HD2%) (( segid " " and resid 118 and name HG )) 2.200 0.600 0.600 peak 3750 spectrum 1 weight 0.10000E+01 volume 0.10116E-01 ppm1 0.885 ppm2 1.301 CV 1 ASSI { 3753} ( segid " " and resid 118 and name HD2%) (( segid " " and resid 119 and name HN )) 2.700 0.900 0.900 peak 3753 spectrum 1 weight 0.10000E+01 volume 0.62829E-02 ppm1 0.885 ppm2 8.197 CV 1 ASSI { 3754} ( segid " " and resid 118 and name HD2%) (( segid " " and resid 118 and name HN )) 4.000 2.000 2.000 peak 3754 spectrum 1 weight 0.10000E+01 volume 0.13102E-02 ppm1 0.885 ppm2 8.460 CV 1 ASSI { 3755} (( segid " " and resid 118 and name HG )) (( segid " " and resid 118 and name HA )) 3.400 1.400 1.400 peak 3755 spectrum 1 weight 0.10000E+01 volume 0.84761E-03 ppm1 1.271 ppm2 5.397 CV 1 ASSI { 3763} (( segid " " and resid 118 and name HG )) (( segid " " and resid 118 and name HN )) 4.300 2.300 1.700 peak 3763 spectrum 1 weight 0.10000E+01 volume 0.57563E-03 ppm1 1.271 ppm2 8.443 CV 1 ASSI { 3767} (( segid " " and resid 149 and name HA )) (( segid " " and resid 149 and name HB2 )) 2.700 0.900 0.900 peak 3767 spectrum 1 weight 0.10000E+01 volume 0.31300E-02 ppm1 5.552 ppm2 3.345 CV 1 ASSI { 3768} (( segid " " and resid 149 and name HA )) (( segid " " and resid 149 and name HB3 )) 2.800 1.000 1.000 peak 3768 spectrum 1 weight 0.10000E+01 volume 0.29500E-02 ppm1 5.552 ppm2 2.692 CV 1 ASSI { 3771} ( segid " " and resid 145 and name HD2%) (( segid " " and resid 146 and name HN )) 3.200 1.300 1.300 peak 3771 spectrum 1 weight 0.10000E+01 volume 0.30460E-02 ppm1 0.696 ppm2 9.922 CV 1 ASSI { 3772} ( segid " " and resid 145 and name HD2%) (( segid " " and resid 120 and name HN )) 3.900 1.900 1.900 peak 3772 spectrum 1 weight 0.10000E+01 volume 0.75105E-03 ppm1 0.696 ppm2 10.164 CV 1 ASSI { 3775} (( segid " " and resid 140 and name HB3 )) (( segid " " and resid 140 and name HD2 )) 4.000 2.000 2.000 peak 3775 spectrum 1 weight 0.10000E+01 volume 0.16768E-02 ppm1 1.961 ppm2 3.770 CV 1 ASSI { 3777} (( segid " " and resid 140 and name HB2 )) (( segid " " and resid 140 and name HD2 )) 4.300 2.300 1.700 peak 3777 spectrum 1 weight 0.10000E+01 volume 0.12851E-02 ppm1 2.323 ppm2 3.770 CV 1 ASSI { 3778} (( segid " " and resid 108 and name HB2 )) (( segid " " and resid 108 and name HB3 )) 1.700 0.300 0.500 peak 3778 spectrum 1 weight 0.10000E+01 volume 0.75882E-02 ppm1 2.393 ppm2 1.162 CV 1 ASSI { 3782} (( segid " " and resid 108 and name HD3 )) (( segid " " and resid 106 and name HA )) 4.100 2.100 1.900 peak 3782 spectrum 1 weight 0.10000E+01 volume 0.13180E-02 ppm1 3.438 ppm2 4.317 CV 1 ASSI { 3791} (( segid " " and resid 108 and name HD3 )) (( segid " " and resid 107 and name HB2 )) 3.800 1.800 1.800 peak 3791 spectrum 1 weight 0.10000E+01 volume 0.22621E-02 ppm1 3.438 ppm2 2.217 CV 1 ASSI { 3792} (( segid " " and resid 108 and name HD3 )) (( segid " " and resid 108 and name HG3 )) 2.200 0.600 0.600 peak 3792 spectrum 1 weight 0.10000E+01 volume 0.50873E-02 ppm1 3.438 ppm2 2.060 CV 1 OR { 3792} (( segid " " and resid 108 and name HD3 )) (( segid " " and resid 108 and name HG2 )) ASSI { 3794} (( segid " " and resid 108 and name HD3 )) (( segid " " and resid 108 and name HB3 )) 3.900 1.900 1.900 peak 3794 spectrum 1 weight 0.10000E+01 volume 0.14115E-02 ppm1 3.438 ppm2 1.166 CV 1 ASSI { 3800} (( segid " " and resid 108 and name HB3 )) (( segid " " and resid 80 and name HB3 )) 4.500 2.600 1.500 peak 3800 spectrum 1 weight 0.10000E+01 volume 0.66166E-03 ppm1 1.162 ppm2 1.461 CV 1 ASSI { 3802} (( segid " " and resid 143 and name HB2 )) (( segid " " and resid 143 and name HB3 )) 1.600 0.300 0.600 peak 3802 spectrum 1 weight 0.10000E+01 volume 0.14193E-01 ppm1 1.706 ppm2 1.430 CV 1 ASSI { 3803} (( segid " " and resid 143 and name HB2 )) ( segid " " and resid 143 and name HE% ) 3.400 1.500 1.500 peak 3803 spectrum 1 weight 0.10000E+01 volume 0.21429E-02 ppm1 1.706 ppm2 2.029 CV 1 ASSI { 3807} (( segid " " and resid 143 and name HB3 )) ( segid " " and resid 143 and name HE% ) 3.300 1.300 1.300 peak 3807 spectrum 1 weight 0.10000E+01 volume 0.18777E-02 ppm1 1.432 ppm2 2.033 CV 1 ASSI { 3809} (( segid " " and resid 143 and name HB3 )) (( segid " " and resid 143 and name HG2 )) 2.800 1.000 1.000 peak 3809 spectrum 1 weight 0.10000E+01 volume 0.27241E-02 ppm1 1.432 ppm2 2.386 CV 1 ASSI { 3811} (( segid " " and resid 143 and name HB2 )) (( segid " " and resid 116 and name HA )) 3.600 1.600 1.600 peak 3811 spectrum 1 weight 0.10000E+01 volume 0.12929E-02 ppm1 1.706 ppm2 4.823 CV 1 ASSI { 3812} (( segid " " and resid 143 and name HB2 )) (( segid " " and resid 142 and name HA )) 4.700 2.800 1.300 peak 3812 spectrum 1 weight 0.10000E+01 volume 0.72424E-03 ppm1 1.706 ppm2 3.841 CV 1 ASSI { 3813} (( segid " " and resid 143 and name HG2 )) (( segid " " and resid 143 and name HG3 )) 1.600 0.300 0.600 peak 3813 spectrum 1 weight 0.10000E+01 volume 0.26544E-01 ppm1 2.386 ppm2 2.136 CV 1 ASSI { 3815} (( segid " " and resid 143 and name HG2 )) (( segid " " and resid 143 and name HB2 )) 2.700 0.900 0.900 peak 3815 spectrum 1 weight 0.10000E+01 volume 0.62293E-02 ppm1 2.386 ppm2 1.706 CV 1 ASSI { 3817} (( segid " " and resid 143 and name HG3 )) (( segid " " and resid 143 and name HB2 )) 2.400 0.700 0.700 peak 3817 spectrum 1 weight 0.10000E+01 volume 0.54631E-02 ppm1 2.141 ppm2 1.709 CV 1 ASSI { 3819} (( segid " " and resid 143 and name HG3 )) (( segid " " and resid 143 and name HB3 )) 2.800 1.000 1.000 peak 3819 spectrum 1 weight 0.10000E+01 volume 0.47138E-02 ppm1 2.141 ppm2 1.432 CV 1 ASSI { 3820} (( segid " " and resid 143 and name HG2 )) (( segid " " and resid 116 and name HA )) 4.200 2.200 1.800 peak 3820 spectrum 1 weight 0.10000E+01 volume 0.88338E-03 ppm1 2.386 ppm2 4.816 CV 1 ASSI { 3823} (( segid " " and resid 143 and name HB3 )) ( segid " " and resid 144 and name HD% ) 3.100 1.200 1.200 peak 3823 spectrum 1 weight 0.10000E+01 volume 0.16398E-02 ppm1 1.433 ppm2 6.845 CV 1 OR { 3823} (( segid " " and resid 143 and name HB3 )) ( segid " " and resid 144 and name HE% ) ASSI { 3825} (( segid " " and resid 143 and name HB3 )) (( segid " " and resid 143 and name HN )) 3.200 1.300 1.300 peak 3825 spectrum 1 weight 0.10000E+01 volume 0.19748E-02 ppm1 1.433 ppm2 8.596 CV 1 ASSI { 3826} (( segid " " and resid 143 and name HB2 )) ( segid " " and resid 144 and name HD% ) 3.200 1.300 1.300 peak 3826 spectrum 1 weight 0.10000E+01 volume 0.15170E-02 ppm1 1.706 ppm2 6.845 CV 1 OR { 3826} (( segid " " and resid 143 and name HB2 )) ( segid " " and resid 144 and name HE% ) ASSI { 3830} (( segid " " and resid 143 and name HG2 )) ( segid " " and resid 144 and name HE% ) 4.200 2.200 1.800 peak 3830 spectrum 1 weight 0.10000E+01 volume 0.85477E-03 ppm1 2.386 ppm2 6.830 CV 1 OR { 3830} (( segid " " and resid 143 and name HG2 )) ( segid " " and resid 144 and name HD% ) ASSI { 3832} (( segid " " and resid 143 and name HG2 )) (( segid " " and resid 143 and name HN )) 3.600 1.600 1.600 peak 3832 spectrum 1 weight 0.10000E+01 volume 0.13180E-02 ppm1 2.386 ppm2 8.611 CV 1 ASSI { 3833} (( segid " " and resid 108 and name HB2 )) (( segid " " and resid 81 and name HN )) 3.800 1.800 1.800 peak 3833 spectrum 1 weight 0.10000E+01 volume 0.72304E-03 ppm1 2.386 ppm2 10.024 CV 1 ASSI { 3834} (( segid " " and resid 108 and name HD3 )) (( segid " " and resid 108 and name HA )) 3.600 1.600 1.600 peak 3834 spectrum 1 weight 0.10000E+01 volume 0.80947E-03 ppm1 3.438 ppm2 4.386 CV 1 ASSI { 3836} (( segid " " and resid 109 and name HB2 )) (( segid " " and resid 109 and name HG )) 2.700 0.900 0.900 peak 3836 spectrum 1 weight 0.10000E+01 volume 0.15725E-02 ppm1 2.152 ppm2 1.734 CV 1 ASSI { 3837} (( segid " " and resid 109 and name HB2 )) (( segid " " and resid 109 and name HB3 )) 1.800 0.400 0.400 peak 3837 spectrum 1 weight 0.10000E+01 volume 0.39496E-02 ppm1 2.152 ppm2 1.361 CV 1 ASSI { 3841} (( segid " " and resid 140 and name HG3 )) (( segid " " and resid 140 and name HD3 )) 2.400 0.700 0.700 peak 3841 spectrum 1 weight 0.10000E+01 volume 0.37058E-02 ppm1 1.962 ppm2 3.465 CV 1 ASSI { 3842} (( segid " " and resid 140 and name HG3 )) (( segid " " and resid 140 and name HD2 )) 2.800 1.000 1.000 peak 3842 spectrum 1 weight 0.10000E+01 volume 0.36194E-02 ppm1 1.962 ppm2 3.772 CV 1 ASSI { 3843} (( segid " " and resid 140 and name HG3 )) (( segid " " and resid 139 and name HA )) 5.200 3.300 0.800 peak 3843 spectrum 1 weight 0.10000E+01 volume 0.78743E-03 ppm1 1.962 ppm2 4.893 CV 1 ASSI { 3845} (( segid " " and resid 140 and name HG2 )) (( segid " " and resid 140 and name HD2 )) 2.400 0.700 0.700 peak 3845 spectrum 1 weight 0.10000E+01 volume 0.37816E-02 ppm1 1.999 ppm2 3.772 CV 1 ASSI { 3846} (( segid " " and resid 140 and name HG2 )) (( segid " " and resid 139 and name HA )) 4.400 2.500 1.600 peak 3846 spectrum 1 weight 0.10000E+01 volume 0.94121E-03 ppm1 1.999 ppm2 4.893 CV 1 ASSI { 3847} (( segid " " and resid 140 and name HD2 )) (( segid " " and resid 140 and name HD3 )) 1.600 0.300 0.600 peak 3847 spectrum 1 weight 0.10000E+01 volume 0.13054E-01 ppm1 3.770 ppm2 3.465 CV 1 ASSI { 3849} (( segid " " and resid 140 and name HD2 )) (( segid " " and resid 140 and name HG3 )) 2.300 0.700 0.700 peak 3849 spectrum 1 weight 0.10000E+01 volume 0.69799E-02 ppm1 3.770 ppm2 1.975 CV 1 OR { 3849} (( segid " " and resid 140 and name HD2 )) (( segid " " and resid 140 and name HG2 )) ASSI { 3850} (( segid " " and resid 140 and name HD2 )) ( segid " " and resid 139 and name HD2%) 3.700 1.700 1.700 peak 3850 spectrum 1 weight 0.10000E+01 volume 0.22186E-02 ppm1 3.770 ppm2 0.747 CV 1 ASSI { 3851} (( segid " " and resid 140 and name HD3 )) (( segid " " and resid 140 and name HG2 )) 2.300 0.700 0.700 peak 3851 spectrum 1 weight 0.10000E+01 volume 0.76598E-02 ppm1 3.467 ppm2 1.975 CV 1 OR { 3851} (( segid " " and resid 140 and name HD3 )) (( segid " " and resid 140 and name HG3 )) ASSI { 3853} (( segid " " and resid 140 and name HD3 )) (( segid " " and resid 140 and name HB2 )) 4.100 2.100 1.900 peak 3853 spectrum 1 weight 0.10000E+01 volume 0.17960E-02 ppm1 3.467 ppm2 2.313 CV 1 ASSI { 3855} (( segid " " and resid 140 and name HD2 )) (( segid " " and resid 140 and name HA )) 4.300 2.400 1.700 peak 3855 spectrum 1 weight 0.10000E+01 volume 0.65865E-03 ppm1 3.770 ppm2 4.401 CV 1 ASSI { 3856} (( segid " " and resid 140 and name HD3 )) (( segid " " and resid 140 and name HA )) 4.000 2.000 2.000 peak 3856 spectrum 1 weight 0.10000E+01 volume 0.70395E-03 ppm1 3.467 ppm2 4.401 CV 1 ASSI { 3862} (( segid " " and resid 140 and name HD3 )) (( segid " " and resid 141 and name HN )) 4.300 2.300 1.700 peak 3862 spectrum 1 weight 0.10000E+01 volume 0.70696E-03 ppm1 3.467 ppm2 9.993 CV 1 ASSI { 3865} (( segid " " and resid 140 and name HB3 )) (( segid " " and resid 141 and name HN )) 4.100 2.100 1.900 peak 3865 spectrum 1 weight 0.10000E+01 volume 0.10634E-02 ppm1 1.961 ppm2 9.993 CV 1 ASSI { 3868} (( segid " " and resid 141 and name HB2 )) (( segid " " and resid 141 and name HB3 )) 1.900 0.500 0.500 peak 3868 spectrum 1 weight 0.10000E+01 volume 0.60143E-02 ppm1 2.213 ppm2 1.921 CV 1 ASSI { 3870} (( segid " " and resid 141 and name HB3 )) (( segid " " and resid 141 and name HG3 )) 2.900 1.000 1.000 peak 3870 spectrum 1 weight 0.10000E+01 volume 0.24517E-02 ppm1 1.908 ppm2 2.674 CV 1 ASSI { 3871} (( segid " " and resid 141 and name HB3 )) (( segid " " and resid 141 and name HG2 )) 2.900 1.000 1.000 peak 3871 spectrum 1 weight 0.10000E+01 volume 0.20535E-02 ppm1 1.908 ppm2 2.750 CV 1 ASSI { 3872} (( segid " " and resid 141 and name HB2 )) (( segid " " and resid 141 and name HG3 )) 2.800 0.900 0.900 peak 3872 spectrum 1 weight 0.10000E+01 volume 0.23676E-02 ppm1 2.213 ppm2 2.674 CV 1 ASSI { 3873} (( segid " " and resid 141 and name HB2 )) (( segid " " and resid 141 and name HG2 )) 3.000 1.100 1.100 peak 3873 spectrum 1 weight 0.10000E+01 volume 0.18121E-02 ppm1 2.213 ppm2 2.766 CV 1 ASSI { 3874} (( segid " " and resid 107 and name HB2 )) ( segid " " and resid 138 and name HD2%) 3.900 1.900 1.900 peak 3874 spectrum 1 weight 0.10000E+01 volume 0.64733E-03 ppm1 2.235 ppm2 0.923 CV 1 ASSI { 3877} (( segid " " and resid 141 and name HG2 )) (( segid " " and resid 141 and name HG3 )) 1.900 0.400 0.400 peak 3877 spectrum 1 weight 0.10000E+01 volume 0.56776E-02 ppm1 2.757 ppm2 2.674 CV 1 ASSI { 3886} (( segid " " and resid 141 and name HG3 )) (( segid " " and resid 141 and name HA )) 4.100 2.100 1.900 peak 3886 spectrum 1 weight 0.10000E+01 volume 0.72780E-03 ppm1 2.668 ppm2 4.301 CV 1 ASSI { 3887} (( segid " " and resid 141 and name HG2 )) (( segid " " and resid 113 and name HA )) 3.500 1.500 1.500 peak 3887 spectrum 1 weight 0.10000E+01 volume 0.84525E-03 ppm1 2.757 ppm2 3.856 CV 1 ASSI { 3888} (( segid " " and resid 141 and name HG2 )) (( segid " " and resid 141 and name HA )) 4.100 2.100 1.900 peak 3888 spectrum 1 weight 0.10000E+01 volume 0.86850E-03 ppm1 2.757 ppm2 4.301 CV 1 ASSI { 3902} (( segid " " and resid 142 and name HB )) ( segid " " and resid 142 and name HG2%) 2.100 0.600 0.600 peak 3902 spectrum 1 weight 0.10000E+01 volume 0.12446E-01 ppm1 2.165 ppm2 0.744 CV 1 OR { 3902} (( segid " " and resid 142 and name HB )) ( segid " " and resid 142 and name HG1%) ASSI { 3906} ( segid " " and resid 142 and name HG2%) (( segid " " and resid 116 and name HA )) 3.900 1.900 1.900 peak 3906 spectrum 1 weight 0.10000E+01 volume 0.19855E-02 ppm1 0.725 ppm2 4.839 CV 1 ASSI { 3908} ( segid " " and resid 115 and name HD2%) (( segid " " and resid 90 and name HB3 )) 2.800 1.000 1.000 peak 3908 spectrum 1 weight 0.10000E+01 volume 0.18121E-02 ppm1 0.788 ppm2 1.553 CV 1 ASSI { 3909} ( segid " " and resid 115 and name HD2%) (( segid " " and resid 115 and name HG )) 2.000 0.500 0.500 peak 3909 spectrum 1 weight 0.10000E+01 volume 0.15039E-01 ppm1 0.788 ppm2 1.353 CV 1 OR { 3909} ( segid " " and resid 115 and name HD2%) (( segid " " and resid 115 and name HB3 )) ASSI { 3912} ( segid " " and resid 145 and name HD2%) (( segid " " and resid 145 and name HB3 )) 2.200 0.600 0.600 peak 3912 spectrum 1 weight 0.10000E+01 volume 0.11874E-01 ppm1 0.696 ppm2 0.447 CV 1 ASSI { 3913} ( segid " " and resid 145 and name HD2%) ( segid " " and resid 145 and name HD1%) 2.200 0.600 0.600 peak 3913 spectrum 1 weight 0.10000E+01 volume 0.12583E-01 ppm1 0.696 ppm2 -0.075 CV 1 ASSI { 3918} ( segid " " and resid 145 and name HD2%) (( segid " " and resid 132 and name HA )) 4.200 2.300 1.800 peak 3918 spectrum 1 weight 0.10000E+01 volume 0.71828E-03 ppm1 0.696 ppm2 2.781 CV 1 ASSI { 3920} ( segid " " and resid 47 and name HD2%) (( segid " " and resid 70 and name HA )) 3.800 1.800 1.800 peak 3920 spectrum 1 weight 0.10000E+01 volume 0.15093E-02 ppm1 0.696 ppm2 4.747 CV 1 ASSI { 3922} ( segid " " and resid 145 and name HD2%) (( segid " " and resid 145 and name HB2 )) 3.200 1.300 1.300 peak 3922 spectrum 1 weight 0.10000E+01 volume 0.45350E-02 ppm1 0.696 ppm2 1.473 CV 1 ASSI { 3924} ( segid " " and resid 52 and name HG1%) (( segid " " and resid 50 and name HN )) 3.500 1.500 1.500 peak 3924 spectrum 1 weight 0.10000E+01 volume 0.95193E-03 ppm1 0.720 ppm2 8.263 CV 1 ASSI { 3926} ( segid " " and resid 145 and name HD2%) (( segid " " and resid 147 and name HN )) 4.800 2.900 1.200 peak 3926 spectrum 1 weight 0.10000E+01 volume 0.58244E-03 ppm1 0.696 ppm2 8.891 CV 1 ASSI { 3929} (( segid " " and resid 145 and name HA )) (( segid " " and resid 145 and name HB2 )) 3.100 1.200 1.200 peak 3929 spectrum 1 weight 0.10000E+01 volume 0.16243E-02 ppm1 5.574 ppm2 1.484 CV 1 ASSI { 3930} (( segid " " and resid 145 and name HA )) (( segid " " and resid 145 and name HG )) 3.100 1.200 1.200 peak 3930 spectrum 1 weight 0.10000E+01 volume 0.15039E-02 ppm1 5.574 ppm2 1.115 CV 1 ASSI { 3932} (( segid " " and resid 145 and name HA )) (( segid " " and resid 145 and name HB3 )) 2.700 0.900 0.900 peak 3932 spectrum 1 weight 0.10000E+01 volume 0.22758E-02 ppm1 5.574 ppm2 0.424 CV 1 ASSI { 3936} (( segid " " and resid 145 and name HB2 )) (( segid " " and resid 145 and name HB3 )) 2.000 0.500 0.500 peak 3936 spectrum 1 weight 0.10000E+01 volume 0.36569E-02 ppm1 1.479 ppm2 0.424 CV 1 ASSI { 3937} (( segid " " and resid 145 and name HB2 )) ( segid " " and resid 145 and name HD1%) 2.800 1.000 1.000 peak 3937 spectrum 1 weight 0.10000E+01 volume 0.24022E-02 ppm1 1.479 ppm2 -0.083 CV 1 ASSI { 3938} (( segid " " and resid 145 and name HB3 )) ( segid " " and resid 145 and name HD1%) 2.800 1.000 1.000 peak 3938 spectrum 1 weight 0.10000E+01 volume 0.24481E-02 ppm1 0.427 ppm2 -0.075 CV 1 ASSI { 3942} (( segid " " and resid 145 and name HG )) (( segid " " and resid 145 and name HB2 )) 2.600 0.900 0.900 peak 3942 spectrum 1 weight 0.10000E+01 volume 0.26091E-02 ppm1 1.108 ppm2 1.476 CV 1 ASSI { 3943} (( segid " " and resid 145 and name HG )) ( segid " " and resid 145 and name HD2%) 2.500 0.800 0.800 peak 3943 spectrum 1 weight 0.10000E+01 volume 0.40200E-02 ppm1 1.108 ppm2 0.693 CV 1 ASSI { 3944} (( segid " " and resid 145 and name HG )) (( segid " " and resid 145 and name HB3 )) 3.300 1.300 1.300 peak 3944 spectrum 1 weight 0.10000E+01 volume 0.19885E-02 ppm1 1.108 ppm2 0.432 CV 1 ASSI { 3946} (( segid " " and resid 145 and name HG )) (( segid " " and resid 132 and name HA )) 5.000 3.200 1.000 peak 3946 spectrum 1 weight 0.10000E+01 volume 0.57633E-03 ppm1 1.108 ppm2 2.781 CV 1 ASSI { 3948} (( segid " " and resid 127 and name HB2 )) (( segid " " and resid 127 and name HB3 )) 1.700 0.400 0.500 peak 3948 spectrum 1 weight 0.10000E+01 volume 0.17924E-01 ppm1 2.926 ppm2 2.742 CV 1 ASSI { 3949} (( segid " " and resid 147 and name HA1 )) (( segid " " and resid 147 and name HA2 )) 1.800 0.400 0.400 peak 3949 spectrum 1 weight 0.10000E+01 volume 0.11248E-01 ppm1 4.262 ppm2 3.549 CV 1 ASSI { 3951} (( segid " " and resid 148 and name HA )) (( segid " " and resid 148 and name HB3 )) 2.600 0.800 0.800 peak 3951 spectrum 1 weight 0.10000E+01 volume 0.37166E-02 ppm1 5.417 ppm2 2.919 CV 1 OR { 3951} (( segid " " and resid 148 and name HA )) (( segid " " and resid 148 and name HB2 )) ASSI { 3954} (( segid " " and resid 68 and name HD2 )) (( segid " " and resid 68 and name HD3 )) 1.700 0.300 0.500 peak 3954 spectrum 1 weight 0.10000E+01 volume 0.10801E-01 ppm1 1.349 ppm2 1.154 CV 1 ASSI { 3956} (( segid " " and resid 132 and name HD3 )) (( segid " " and resid 132 and name HD2 )) 1.900 0.500 0.500 peak 3956 spectrum 1 weight 0.10000E+01 volume 0.45618E-02 ppm1 3.172 ppm2 3.557 CV 1 ASSI { 3958} (( segid " " and resid 132 and name HD3 )) (( segid " " and resid 132 and name HG2 )) 3.000 1.100 1.100 peak 3958 spectrum 1 weight 0.10000E+01 volume 0.16667E-02 ppm1 3.172 ppm2 1.724 CV 1 ASSI { 3960} (( segid " " and resid 132 and name HD2 )) (( segid " " and resid 132 and name HG2 )) 2.900 1.000 1.000 peak 3960 spectrum 1 weight 0.10000E+01 volume 0.14139E-02 ppm1 3.566 ppm2 1.724 CV 1 ASSI { 3961} (( segid " " and resid 132 and name HD2 )) (( segid " " and resid 132 and name HB3 )) 3.300 1.400 1.400 peak 3961 spectrum 1 weight 0.10000E+01 volume 0.10622E-02 ppm1 3.566 ppm2 1.611 CV 1 ASSI { 3962} (( segid " " and resid 132 and name HD2 )) (( segid " " and resid 132 and name HG3 )) 3.300 1.400 1.400 peak 3962 spectrum 1 weight 0.10000E+01 volume 0.86850E-03 ppm1 3.566 ppm2 1.335 CV 1 ASSI { 3965} (( segid " " and resid 151 and name HB2 )) (( segid " " and resid 151 and name HB3 )) 1.700 0.300 0.500 peak 3965 spectrum 1 weight 0.10000E+01 volume 0.19248E-01 ppm1 2.892 ppm2 2.539 CV 1 ASSI { 3966} (( segid " " and resid 68 and name HE2 )) (( segid " " and resid 68 and name HE3 )) 1.500 0.300 0.700 peak 3966 spectrum 1 weight 0.10000E+01 volume 0.21882E-01 ppm1 2.519 ppm2 2.327 CV 1 ASSI { 3967} (( segid " " and resid 68 and name HE2 )) (( segid " " and resid 68 and name HD2 )) 2.800 1.000 1.000 peak 3967 spectrum 1 weight 0.10000E+01 volume 0.37816E-02 ppm1 2.519 ppm2 1.335 CV 1 OR { 3967} (( segid " " and resid 68 and name HE2 )) (( segid " " and resid 68 and name HG2 )) ASSI { 3968} (( segid " " and resid 68 and name HE2 )) (( segid " " and resid 68 and name HD3 )) 2.500 0.800 0.800 peak 3968 spectrum 1 weight 0.10000E+01 volume 0.34299E-02 ppm1 2.519 ppm2 1.159 CV 1 ASSI { 3970} (( segid " " and resid 68 and name HE2 )) ( segid " " and resid 46 and name HD% ) 3.400 1.400 1.400 peak 3970 spectrum 1 weight 0.10000E+01 volume 0.15247E-02 ppm1 2.519 ppm2 7.191 CV 1 OR { 3970} (( segid " " and resid 68 and name HE2 )) ( segid " " and resid 46 and name HE% ) ASSI { 3972} (( segid " " and resid 68 and name HE3 )) (( segid " " and resid 68 and name HD2 )) 2.500 0.800 0.800 peak 3972 spectrum 1 weight 0.10000E+01 volume 0.45672E-02 ppm1 2.330 ppm2 1.349 CV 1 OR { 3972} (( segid " " and resid 68 and name HE3 )) (( segid " " and resid 68 and name HG2 )) ASSI { 3973} (( segid " " and resid 68 and name HE3 )) (( segid " " and resid 68 and name HD3 )) 2.900 1.000 1.000 peak 3973 spectrum 1 weight 0.10000E+01 volume 0.28618E-02 ppm1 2.330 ppm2 1.163 CV 1 ASSI { 3975} (( segid " " and resid 68 and name HE3 )) ( segid " " and resid 46 and name HD% ) 3.500 1.500 1.500 peak 3975 spectrum 1 weight 0.10000E+01 volume 0.10229E-02 ppm1 2.330 ppm2 7.191 CV 1 OR { 3975} (( segid " " and resid 68 and name HE3 )) ( segid " " and resid 46 and name HE% ) ASSI { 3976} (( segid " " and resid 86 and name HG2 )) (( segid " " and resid 86 and name HB2 )) 3.400 1.400 1.400 peak 3976 spectrum 1 weight 0.10000E+01 volume 0.11755E-02 ppm1 1.472 ppm2 2.352 CV 1 ASSI { 3977} (( segid " " and resid 86 and name HG3 )) (( segid " " and resid 86 and name HB2 )) 2.700 0.900 0.900 peak 3977 spectrum 1 weight 0.10000E+01 volume 0.14920E-02 ppm1 1.429 ppm2 2.352 CV 1 ASSI { 3980} (( segid " " and resid 86 and name HG2 )) (( segid " " and resid 86 and name HN )) 2.700 0.900 0.900 peak 3980 spectrum 1 weight 0.10000E+01 volume 0.10861E-02 ppm1 1.472 ppm2 8.171 CV 1 ASSI { 3982} (( segid " " and resid 110 and name HD3 )) ( segid " " and resid 138 and name HD2%) 4.400 2.400 1.600 peak 3982 spectrum 1 weight 0.10000E+01 volume 0.12506E-02 ppm1 1.755 ppm2 0.921 CV 1 ASSI { 3983} (( segid " " and resid 110 and name HD3 )) ( segid " " and resid 139 and name HD2%) 4.500 2.600 1.500 peak 3983 spectrum 1 weight 0.10000E+01 volume 0.11338E-02 ppm1 1.755 ppm2 0.745 CV 1 ASSI { 3984} (( segid " " and resid 110 and name HD2 )) ( segid " " and resid 138 and name HD2%) 3.500 1.500 1.500 peak 3984 spectrum 1 weight 0.10000E+01 volume 0.13698E-02 ppm1 1.837 ppm2 0.921 CV 1 ASSI { 3985} (( segid " " and resid 110 and name HD2 )) ( segid " " and resid 139 and name HD2%) 4.100 2.100 1.900 peak 3985 spectrum 1 weight 0.10000E+01 volume 0.11349E-02 ppm1 1.837 ppm2 0.745 CV 1 ASSI { 3987} (( segid " " and resid 110 and name HD2 )) (( segid " " and resid 110 and name HG3 )) 2.400 0.700 0.700 peak 3987 spectrum 1 weight 0.10000E+01 volume 0.89055E-02 ppm1 1.837 ppm2 1.523 CV 1 ASSI { 3988} (( segid " " and resid 110 and name HD3 )) (( segid " " and resid 110 and name HG3 )) 2.100 0.600 0.600 peak 3988 spectrum 1 weight 0.10000E+01 volume 0.79875E-02 ppm1 1.755 ppm2 1.523 CV 1 ASSI { 3993} (( segid " " and resid 110 and name HD2 )) (( segid " " and resid 110 and name HN )) 3.900 1.900 1.900 peak 3993 spectrum 1 weight 0.10000E+01 volume 0.10050E-02 ppm1 1.837 ppm2 8.321 CV 1 ASSI { 3994} (( segid " " and resid 110 and name HD3 )) (( segid " " and resid 110 and name HN )) 4.600 2.700 1.400 peak 3994 spectrum 1 weight 0.10000E+01 volume 0.91976E-03 ppm1 1.755 ppm2 8.321 CV 1 ASSI { 3995} (( segid " " and resid 91 and name HD2 )) (( segid " " and resid 91 and name HG3 )) 2.400 0.700 0.700 peak 3995 spectrum 1 weight 0.10000E+01 volume 0.36843E-02 ppm1 1.798 ppm2 1.429 CV 1 ASSI { 3996} (( segid " " and resid 91 and name HD3 )) (( segid " " and resid 91 and name HG3 )) 2.900 1.000 1.000 peak 3996 spectrum 1 weight 0.10000E+01 volume 0.39335E-02 ppm1 1.749 ppm2 1.429 CV 1 ASSI { 3999} (( segid " " and resid 133 and name HB2 )) (( segid " " and resid 133 and name HB3 )) 1.500 0.300 0.700 peak 3999 spectrum 1 weight 0.10000E+01 volume 0.22955E-01 ppm1 2.076 ppm2 1.940 CV 1 ASSI { 4000} (( segid " " and resid 133 and name HB2 )) (( segid " " and resid 133 and name HG3 )) 2.200 0.600 0.600 peak 4000 spectrum 1 weight 0.10000E+01 volume 0.11188E-01 ppm1 2.076 ppm2 2.270 CV 1 OR { 4000} (( segid " " and resid 133 and name HB2 )) (( segid " " and resid 133 and name HG2 )) ASSI { 4002} (( segid " " and resid 133 and name HB3 )) (( segid " " and resid 133 and name HG3 )) 2.300 0.700 0.700 peak 4002 spectrum 1 weight 0.10000E+01 volume 0.11308E-01 ppm1 1.940 ppm2 2.270 CV 1 OR { 4002} (( segid " " and resid 133 and name HB3 )) (( segid " " and resid 133 and name HG2 )) ASSI { 4003} (( segid " " and resid 154 and name HB3 )) (( segid " " and resid 154 and name HG3 )) 3.000 1.100 1.100 peak 4003 spectrum 1 weight 0.10000E+01 volume 0.35866E-02 ppm1 1.803 ppm2 2.101 CV 1 ASSI { 4004} (( segid " " and resid 154 and name HB3 )) (( segid " " and resid 154 and name HG2 )) 2.700 0.900 0.900 peak 4004 spectrum 1 weight 0.10000E+01 volume 0.30495E-02 ppm1 1.803 ppm2 2.232 CV 1 ASSI { 4005} (( segid " " and resid 154 and name HB2 )) (( segid " " and resid 154 and name HG3 )) 2.600 0.900 0.900 peak 4005 spectrum 1 weight 0.10000E+01 volume 0.33917E-02 ppm1 1.837 ppm2 2.101 CV 1 ASSI { 4006} (( segid " " and resid 154 and name HB2 )) (( segid " " and resid 154 and name HG2 )) 3.100 1.200 1.200 peak 4006 spectrum 1 weight 0.10000E+01 volume 0.31455E-02 ppm1 1.837 ppm2 2.232 CV 1 ASSI { 4007} (( segid " " and resid 154 and name HG3 )) (( segid " " and resid 154 and name HB3 )) 2.500 0.800 0.800 peak 4007 spectrum 1 weight 0.10000E+01 volume 0.64497E-02 ppm1 2.115 ppm2 1.824 CV 1 OR { 4007} (( segid " " and resid 154 and name HG3 )) (( segid " " and resid 154 and name HB2 )) ASSI { 4008} (( segid " " and resid 154 and name HG2 )) (( segid " " and resid 154 and name HB2 )) 2.500 0.800 0.800 peak 4008 spectrum 1 weight 0.10000E+01 volume 0.62052E-02 ppm1 2.226 ppm2 1.824 CV 1 OR { 4008} (( segid " " and resid 154 and name HG2 )) (( segid " " and resid 154 and name HB3 )) ASSI { 4011} (( segid " " and resid 152 and name HB3 )) (( segid " " and resid 153 and name HN )) 4.200 2.200 1.800 peak 4011 spectrum 1 weight 0.10000E+01 volume 0.71708E-03 ppm1 2.954 ppm2 8.796 CV 1 ASSI { 4012} (( segid " " and resid 156 and name HB2 )) (( segid " " and resid 156 and name HG2 )) 2.400 0.700 0.700 peak 4012 spectrum 1 weight 0.10000E+01 volume 0.45457E-02 ppm1 2.228 ppm2 2.000 CV 1 ASSI { 4013} (( segid " " and resid 156 and name HB2 )) (( segid " " and resid 156 and name HB3 )) 1.600 0.300 0.600 peak 4013 spectrum 1 weight 0.10000E+01 volume 0.24612E-01 ppm1 2.228 ppm2 1.881 CV 1 OR { 4013} (( segid " " and resid 156 and name HB2 )) (( segid " " and resid 156 and name HG3 )) ASSI { 4015} (( segid " " and resid 156 and name HA )) (( segid " " and resid 157 and name HN )) 2.100 0.500 0.500 peak 4015 spectrum 1 weight 0.10000E+01 volume 0.14413E-01 ppm1 4.386 ppm2 8.290 CV 1 ASSI { 4016} (( segid " " and resid 156 and name HG3 )) (( segid " " and resid 155 and name HA )) 5.000 3.100 1.000 peak 4016 spectrum 1 weight 0.10000E+01 volume 0.90187E-03 ppm1 1.885 ppm2 3.895 CV 1 ASSI { 4021} (( segid " " and resid 156 and name HG2 )) (( segid " " and resid 157 and name HN )) 4.800 2.900 1.200 peak 4021 spectrum 1 weight 0.10000E+01 volume 0.63781E-03 ppm1 1.993 ppm2 8.289 CV 1 ASSI { 4022} (( segid " " and resid 156 and name HG3 )) (( segid " " and resid 157 and name HN )) 5.000 3.100 1.000 peak 4022 spectrum 1 weight 0.10000E+01 volume 0.75466E-03 ppm1 1.885 ppm2 8.289 CV 1 ASSI { 4023} (( segid " " and resid 156 and name HD3 )) (( segid " " and resid 156 and name HA )) 3.900 1.900 1.900 peak 4023 spectrum 1 weight 0.10000E+01 volume 0.58309E-03 ppm1 3.107 ppm2 4.385 CV 1 ASSI { 4028} (( segid " " and resid 111 and name HB2 )) (( segid " " and resid 111 and name HG3 )) 2.200 0.600 0.600 peak 4028 spectrum 1 weight 0.10000E+01 volume 0.49344E-02 ppm1 2.072 ppm2 1.416 CV 1 ASSI { 4029} (( segid " " and resid 111 and name HB2 )) ( segid " " and resid 84 and name HB% ) 2.300 0.600 0.600 peak 4029 spectrum 1 weight 0.10000E+01 volume 0.47031E-02 ppm1 2.072 ppm2 1.342 CV 1 ASSI { 4030} (( segid " " and resid 111 and name HB3 )) (( segid " " and resid 111 and name HB2 )) 1.600 0.300 0.600 peak 4030 spectrum 1 weight 0.10000E+01 volume 0.11540E-01 ppm1 1.619 ppm2 2.069 CV 1 ASSI { 4031} (( segid " " and resid 111 and name HB3 )) (( segid " " and resid 111 and name HG3 )) 2.700 0.900 0.900 peak 4031 spectrum 1 weight 0.10000E+01 volume 0.46327E-02 ppm1 1.619 ppm2 1.416 CV 1 ASSI { 4034} (( segid " " and resid 111 and name HG2 )) (( segid " " and resid 111 and name HD2 )) 2.100 0.500 0.500 peak 4034 spectrum 1 weight 0.10000E+01 volume 0.13543E-01 ppm1 1.542 ppm2 1.683 CV 1 OR { 4034} (( segid " " and resid 111 and name HG2 )) (( segid " " and resid 111 and name HD3 )) ASSI { 4037} (( segid " " and resid 111 and name HG3 )) (( segid " " and resid 111 and name HD3 )) 2.100 0.500 0.500 peak 4037 spectrum 1 weight 0.10000E+01 volume 0.10879E-01 ppm1 1.423 ppm2 1.698 CV 1 OR { 4037} (( segid " " and resid 111 and name HG3 )) (( segid " " and resid 111 and name HD2 )) ASSI { 4045} (( segid " " and resid 77 and name HB3 )) (( segid " " and resid 78 and name HN )) 4.700 2.700 1.300 peak 4045 spectrum 1 weight 0.10000E+01 volume 0.62348E-03 ppm1 3.684 ppm2 7.237 CV 1 ASSI { 4047} (( segid " " and resid 77 and name HB3 )) (( segid " " and resid 77 and name HN )) 3.300 1.400 1.400 peak 4047 spectrum 1 weight 0.10000E+01 volume 0.11635E-02 ppm1 3.684 ppm2 9.146 CV 1 ASSI { 4049} (( segid " " and resid 77 and name HB2 )) (( segid " " and resid 77 and name HB3 )) 1.700 0.400 0.500 peak 4049 spectrum 1 weight 0.10000E+01 volume 0.14193E-01 ppm1 4.215 ppm2 3.677 CV 1 ASSI { 4055} (( segid " " and resid 77 and name HB2 )) (( segid " " and resid 78 and name HN )) 4.400 2.400 1.600 peak 4055 spectrum 1 weight 0.10000E+01 volume 0.78923E-03 ppm1 4.215 ppm2 7.243 CV 1 ASSI { 4057} ( segid " " and resid 1 and name HE% ) (( segid " " and resid 6 and name HN )) 4.200 2.200 1.800 peak 4057 spectrum 1 weight 0.10000E+01 volume 0.60739E-03 ppm1 2.090 ppm2 8.287 CV 1 ASSI { 4060} (( segid " " and resid 39 and name HB3 )) ( segid " " and resid 38 and name HG2%) 5.100 3.300 0.900 peak 4060 spectrum 1 weight 0.10000E+01 volume 0.53163E-03 ppm1 2.912 ppm2 1.240 CV 1 OR { 4060} (( segid " " and resid 39 and name HB2 )) ( segid " " and resid 38 and name HG2%) ASSI { 4064} (( segid " " and resid 41 and name HB2 )) ( segid " " and resid 37 and name HD2%) 4.000 2.000 2.000 peak 4064 spectrum 1 weight 0.10000E+01 volume 0.62052E-03 ppm1 3.280 ppm2 0.232 CV 1 OR { 4064} (( segid " " and resid 41 and name HB2 )) ( segid " " and resid 37 and name HD1%) ASSI { 4066} ( segid " " and resid 54 and name HD2%) (( segid " " and resid 29 and name HB3 )) 3.500 1.500 1.500 peak 4066 spectrum 1 weight 0.10000E+01 volume 0.90187E-03 ppm1 0.660 ppm2 3.592 CV 1 ASSI { 4067} ( segid " " and resid 54 and name HD2%) (( segid " " and resid 29 and name HB2 )) 3.300 1.400 1.400 peak 4067 spectrum 1 weight 0.10000E+01 volume 0.14139E-02 ppm1 0.660 ppm2 3.880 CV 1 ASSI { 4068} ( segid " " and resid 54 and name HD2%) (( segid " " and resid 54 and name HA )) 2.700 0.900 0.900 peak 4068 spectrum 1 weight 0.10000E+01 volume 0.26126E-02 ppm1 0.660 ppm2 4.077 CV 1 ASSI { 4071} ( segid " " and resid 54 and name HD2%) (( segid " " and resid 33 and name HN )) 3.000 3.000 3.000 peak 4071 spectrum 1 weight 0.10000E+01 volume 0.63661E-03 ppm1 0.660 ppm2 7.502 CV 1 ASSI { 4072} ( segid " " and resid 54 and name HD2%) (( segid " " and resid 56 and name HN )) 4.200 2.200 1.800 peak 4072 spectrum 1 weight 0.10000E+01 volume 0.66762E-03 ppm1 0.660 ppm2 7.684 CV 1 ASSI { 4074} ( segid " " and resid 54 and name HD2%) (( segid " " and resid 55 and name HN )) 4.700 2.800 1.300 peak 4074 spectrum 1 weight 0.10000E+01 volume 0.65510E-03 ppm1 0.660 ppm2 10.125 CV 1 ASSI { 4075} (( segid " " and resid 54 and name HG )) (( segid " " and resid 55 and name HN )) 5.000 3.100 1.000 peak 4075 spectrum 1 weight 0.10000E+01 volume 0.53499E-03 ppm1 1.577 ppm2 10.125 CV 1 ASSI { 4076} ( segid " " and resid 54 and name HD2%) (( segid " " and resid 54 and name HB3 )) 2.700 0.900 0.900 peak 4076 spectrum 1 weight 0.10000E+01 volume 0.49731E-02 ppm1 0.660 ppm2 1.317 CV 1 OR { 4076} ( segid " " and resid 54 and name HD2%) (( segid " " and resid 54 and name HB2 )) ASSI { 4077} ( segid " " and resid 54 and name HD2%) (( segid " " and resid 54 and name HG )) 2.400 0.700 0.700 peak 4077 spectrum 1 weight 0.10000E+01 volume 0.45731E-02 ppm1 0.660 ppm2 1.575 CV 1 ASSI { 4078} ( segid " " and resid 54 and name HD2%) ( segid " " and resid 3 and name HE% ) 3.100 1.200 1.200 peak 4078 spectrum 1 weight 0.10000E+01 volume 0.19748E-02 ppm1 0.660 ppm2 1.923 CV 1 ASSI { 4086} (( segid " " and resid 61 and name HG2 )) (( segid " " and resid 37 and name HB2 )) 3.900 1.900 1.900 peak 4086 spectrum 1 weight 0.10000E+01 volume 0.20535E-02 ppm1 1.546 ppm2 1.226 CV 1 ASSI { 4087} (( segid " " and resid 61 and name HG3 )) (( segid " " and resid 37 and name HB2 )) 3.500 1.500 1.500 peak 4087 spectrum 1 weight 0.10000E+01 volume 0.14211E-02 ppm1 1.422 ppm2 1.229 CV 1 ASSI { 4088} (( segid " " and resid 61 and name HG2 )) (( segid " " and resid 38 and name HA )) 4.900 3.000 1.100 peak 4088 spectrum 1 weight 0.10000E+01 volume 0.64437E-03 ppm1 1.546 ppm2 4.843 CV 1 ASSI { 4089} (( segid " " and resid 61 and name HG3 )) (( segid " " and resid 38 and name HA )) 3.700 1.700 1.700 peak 4089 spectrum 1 weight 0.10000E+01 volume 0.58916E-03 ppm1 1.422 ppm2 4.843 CV 1 ASSI { 4090} (( segid " " and resid 14 and name HB3 )) (( segid " " and resid 14 and name HA )) 3.000 1.100 1.100 peak 4090 spectrum 1 weight 0.10000E+01 volume 0.13889E-02 ppm1 1.829 ppm2 4.562 CV 1 ASSI { 4091} (( segid " " and resid 65 and name HB3 )) (( segid " " and resid 43 and name HA )) 3.800 1.800 1.800 peak 4091 spectrum 1 weight 0.10000E+01 volume 0.95729E-03 ppm1 1.566 ppm2 4.562 CV 1 ASSI { 4092} (( segid " " and resid 65 and name HB3 )) (( segid " " and resid 65 and name HD3 )) 3.700 1.700 1.700 peak 4092 spectrum 1 weight 0.10000E+01 volume 0.57969E-03 ppm1 1.566 ppm2 2.985 CV 1 OR { 4092} (( segid " " and resid 65 and name HB3 )) (( segid " " and resid 65 and name HD2 )) OR { 4092} (( segid " " and resid 65 and name HB3 )) (( segid " " and resid 65 and name HE2 )) ASSI { 4093} (( segid " " and resid 65 and name HB2 )) (( segid " " and resid 65 and name HD2 )) 3.700 1.700 1.700 peak 4093 spectrum 1 weight 0.10000E+01 volume 0.81128E-03 ppm1 1.829 ppm2 2.985 CV 1 OR { 4093} (( segid " " and resid 65 and name HB2 )) (( segid " " and resid 65 and name HD3 )) OR { 4093} (( segid " " and resid 65 and name HB2 )) (( segid " " and resid 65 and name HE2 )) ASSI { 4094} (( segid " " and resid 65 and name HB2 )) (( segid " " and resid 45 and name HG3 )) 3.900 1.900 1.900 peak 4094 spectrum 1 weight 0.10000E+01 volume 0.82676E-03 ppm1 1.829 ppm2 2.379 CV 1 ASSI { 4095} (( segid " " and resid 65 and name HB3 )) (( segid " " and resid 45 and name HG3 )) 3.600 1.600 1.600 peak 4095 spectrum 1 weight 0.10000E+01 volume 0.59286E-03 ppm1 1.566 ppm2 2.364 CV 1 ASSI { 4097} (( segid " " and resid 65 and name HG2 )) (( segid " " and resid 64 and name HB2 )) 3.300 1.400 1.400 peak 4097 spectrum 1 weight 0.10000E+01 volume 0.82917E-03 ppm1 1.624 ppm2 2.773 CV 1 OR { 4097} (( segid " " and resid 65 and name HG2 )) (( segid " " and resid 64 and name HB3 )) ASSI { 4099} (( segid " " and resid 65 and name HB3 )) (( segid " " and resid 65 and name HG3 )) 3.200 1.300 1.300 peak 4099 spectrum 1 weight 0.10000E+01 volume 0.23432E-02 ppm1 1.566 ppm2 1.302 CV 1 ASSI { 4100} (( segid " " and resid 65 and name HG2 )) (( segid " " and resid 65 and name HG3 )) 1.600 0.300 0.600 peak 4100 spectrum 1 weight 0.10000E+01 volume 0.11200E-01 ppm1 1.624 ppm2 1.302 CV 1 ASSI { 4107} (( segid " " and resid 64 and name HB3 )) (( segid " " and resid 64 and name HD21)) 2.900 1.100 1.100 peak 4107 spectrum 1 weight 0.10000E+01 volume 0.21077E-02 ppm1 2.779 ppm2 7.557 CV 1 OR { 4107} (( segid " " and resid 64 and name HB2 )) (( segid " " and resid 64 and name HD21)) ASSI { 4108} (( segid " " and resid 64 and name HB2 )) (( segid " " and resid 89 and name HD22)) 4.300 2.300 1.700 peak 4108 spectrum 1 weight 0.10000E+01 volume 0.43412E-03 ppm1 2.779 ppm2 7.036 CV 1 OR { 4108} (( segid " " and resid 64 and name HB3 )) (( segid " " and resid 89 and name HD22)) ASSI { 4110} (( segid " " and resid 64 and name HB3 )) (( segid " " and resid 64 and name HD22)) 4.300 2.300 1.700 peak 4110 spectrum 1 weight 0.10000E+01 volume 0.10390E-02 ppm1 2.779 ppm2 6.826 CV 1 OR { 4110} (( segid " " and resid 64 and name HB2 )) (( segid " " and resid 64 and name HD22)) ASSI { 4113} (( segid " " and resid 64 and name HB3 )) (( segid " " and resid 62 and name HG2 )) 3.100 1.200 1.200 peak 4113 spectrum 1 weight 0.10000E+01 volume 0.18288E-02 ppm1 2.776 ppm2 1.524 CV 1 OR { 4113} (( segid " " and resid 64 and name HB2 )) (( segid " " and resid 62 and name HG2 )) ASSI { 4119} (( segid " " and resid 65 and name HB2 )) (( segid " " and resid 65 and name HB3 )) 1.700 0.400 0.500 peak 4119 spectrum 1 weight 0.10000E+01 volume 0.98234E-02 ppm1 1.829 ppm2 1.581 CV 1 ASSI { 4122} (( segid " " and resid 65 and name HG3 )) (( segid " " and resid 65 and name HB2 )) 2.200 0.600 0.600 peak 4122 spectrum 1 weight 0.10000E+01 volume 0.58084E-02 ppm1 1.300 ppm2 1.816 CV 1 ASSI { 4128} (( segid " " and resid 68 and name HG2 )) (( segid " " and resid 69 and name HN )) 4.600 2.600 1.400 peak 4128 spectrum 1 weight 0.10000E+01 volume 0.59572E-03 ppm1 1.341 ppm2 8.318 CV 1 ASSI { 4131} (( segid " " and resid 68 and name HA )) (( segid " " and resid 92 and name HB3 )) 2.500 0.800 0.800 peak 4131 spectrum 1 weight 0.10000E+01 volume 0.15075E-02 ppm1 5.479 ppm2 3.016 CV 1 ASSI { 4132} (( segid " " and resid 68 and name HB3 )) (( segid " " and resid 92 and name HB2 )) 5.100 3.200 0.900 peak 4132 spectrum 1 weight 0.10000E+01 volume 0.59572E-03 ppm1 1.749 ppm2 3.115 CV 1 ASSI { 4133} (( segid " " and resid 68 and name HB3 )) (( segid " " and resid 92 and name HB3 )) 3.800 1.800 1.800 peak 4133 spectrum 1 weight 0.10000E+01 volume 0.65329E-03 ppm1 1.749 ppm2 3.016 CV 1 ASSI { 4134} (( segid " " and resid 68 and name HA )) ( segid " " and resid 90 and name HD2%) 3.200 1.300 1.300 peak 4134 spectrum 1 weight 0.10000E+01 volume 0.18365E-02 ppm1 5.479 ppm2 0.876 CV 1 OR { 4134} (( segid " " and resid 68 and name HA )) ( segid " " and resid 90 and name HD1%) ASSI { 4135} (( segid " " and resid 68 and name HA )) (( segid " " and resid 68 and name HG2 )) 2.800 1.000 1.000 peak 4135 spectrum 1 weight 0.10000E+01 volume 0.27354E-02 ppm1 5.479 ppm2 1.340 CV 1 OR { 4135} (( segid " " and resid 68 and name HA )) (( segid " " and resid 68 and name HD2 )) ASSI { 4136} (( segid " " and resid 68 and name HA )) (( segid " " and resid 68 and name HB3 )) 2.600 0.800 0.800 peak 4136 spectrum 1 weight 0.10000E+01 volume 0.21507E-02 ppm1 5.479 ppm2 1.749 CV 1 ASSI { 4137} (( segid " " and resid 68 and name HA )) (( segid " " and resid 68 and name HB2 )) 3.100 1.200 1.200 peak 4137 spectrum 1 weight 0.10000E+01 volume 0.15862E-02 ppm1 5.479 ppm2 1.890 CV 1 ASSI { 4139} (( segid " " and resid 67 and name HG2 )) (( segid " " and resid 67 and name HG3 )) 1.600 0.300 0.600 peak 4139 spectrum 1 weight 0.10000E+01 volume 0.14348E-01 ppm1 1.778 ppm2 1.650 CV 1 ASSI { 4143} (( segid " " and resid 68 and name HB2 )) (( segid " " and resid 68 and name HB3 )) 1.800 0.400 0.400 peak 4143 spectrum 1 weight 0.10000E+01 volume 0.51490E-02 ppm1 1.891 ppm2 1.749 CV 1 ASSI { 4146} (( segid " " and resid 68 and name HG2 )) (( segid " " and resid 68 and name HG3 )) 1.800 0.400 0.400 peak 4146 spectrum 1 weight 0.10000E+01 volume 0.50267E-02 ppm1 1.341 ppm2 1.200 CV 1 ASSI { 4147} (( segid " " and resid 68 and name HG2 )) (( segid " " and resid 68 and name HB3 )) 2.700 0.900 0.900 peak 4147 spectrum 1 weight 0.10000E+01 volume 0.17769E-02 ppm1 1.341 ppm2 1.749 CV 1 ASSI { 4148} (( segid " " and resid 68 and name HG2 )) (( segid " " and resid 68 and name HB2 )) 3.500 1.500 1.500 peak 4148 spectrum 1 weight 0.10000E+01 volume 0.11659E-02 ppm1 1.341 ppm2 1.890 CV 1 ASSI { 4149} (( segid " " and resid 68 and name HG3 )) (( segid " " and resid 68 and name HG2 )) 1.800 0.400 0.400 peak 4149 spectrum 1 weight 0.10000E+01 volume 0.70099E-02 ppm1 1.207 ppm2 1.340 CV 1 OR { 4149} (( segid " " and resid 68 and name HG3 )) (( segid " " and resid 68 and name HD2 )) ASSI { 4150} (( segid " " and resid 68 and name HG3 )) (( segid " " and resid 68 and name HB3 )) 3.400 1.500 1.500 peak 4150 spectrum 1 weight 0.10000E+01 volume 0.12947E-02 ppm1 1.207 ppm2 1.749 CV 1 ASSI { 4151} (( segid " " and resid 68 and name HG3 )) (( segid " " and resid 68 and name HB2 )) 2.900 1.100 1.100 peak 4151 spectrum 1 weight 0.10000E+01 volume 0.10861E-02 ppm1 1.207 ppm2 1.890 CV 1 ASSI { 4153} (( segid " " and resid 68 and name HD3 )) (( segid " " and resid 68 and name HD2 )) 1.700 0.300 0.500 peak 4153 spectrum 1 weight 0.10000E+01 volume 0.13608E-01 ppm1 1.141 ppm2 1.350 CV 1 OR { 4153} (( segid " " and resid 68 and name HD3 )) (( segid " " and resid 68 and name HG2 )) ASSI { 4154} (( segid " " and resid 68 and name HD3 )) (( segid " " and resid 68 and name HA )) 4.800 2.900 1.200 peak 4154 spectrum 1 weight 0.10000E+01 volume 0.53704E-03 ppm1 1.141 ppm2 5.466 CV 1 ASSI { 4155} (( segid " " and resid 68 and name HE2 )) (( segid " " and resid 68 and name HA )) 3.200 3.200 2.800 peak 4155 spectrum 1 weight 0.10000E+01 volume 0.50112E-03 ppm1 2.519 ppm2 5.459 CV 1 ASSI { 4157} ( segid " " and resid 69 and name HD1%) (( segid " " and resid 69 and name HG )) 2.100 0.500 0.500 peak 4157 spectrum 1 weight 0.10000E+01 volume 0.15582E-01 ppm1 0.806 ppm2 1.362 CV 1 OR { 4157} ( segid " " and resid 69 and name HD1%) (( segid " " and resid 69 and name HB3 )) ASSI { 4158} ( segid " " and resid 69 and name HD1%) (( segid " " and resid 69 and name HB2 )) 2.700 0.900 0.900 peak 4158 spectrum 1 weight 0.10000E+01 volume 0.63064E-02 ppm1 0.806 ppm2 2.009 CV 1 ASSI { 4159} (( segid " " and resid 70 and name HB2 )) (( segid " " and resid 70 and name HB3 )) 1.700 0.400 0.500 peak 4159 spectrum 1 weight 0.10000E+01 volume 0.75285E-02 ppm1 2.503 ppm2 2.136 CV 1 ASSI { 4161} (( segid " " and resid 70 and name HB2 )) (( segid " " and resid 48 and name HB3 )) 3.200 1.200 1.200 peak 4161 spectrum 1 weight 0.10000E+01 volume 0.88338E-03 ppm1 2.503 ppm2 3.326 CV 1 ASSI { 4162} (( segid " " and resid 70 and name HB3 )) (( segid " " and resid 48 and name HB3 )) 3.900 1.900 1.900 peak 4162 spectrum 1 weight 0.10000E+01 volume 0.97818E-03 ppm1 2.133 ppm2 3.326 CV 1 ASSI { 4167} (( segid " " and resid 70 and name HG2 )) (( segid " " and resid 70 and name HA )) 3.100 1.200 1.200 peak 4167 spectrum 1 weight 0.10000E+01 volume 0.15498E-02 ppm1 2.549 ppm2 4.762 CV 1 ASSI { 4168} (( segid " " and resid 70 and name HG2 )) (( segid " " and resid 48 and name HA )) 4.200 2.200 1.800 peak 4168 spectrum 1 weight 0.10000E+01 volume 0.94837E-03 ppm1 2.549 ppm2 5.171 CV 1 ASSI { 4170} (( segid " " and resid 70 and name HG3 )) (( segid " " and resid 70 and name HA )) 3.300 1.300 1.300 peak 4170 spectrum 1 weight 0.10000E+01 volume 0.21697E-02 ppm1 2.389 ppm2 4.748 CV 1 ASSI { 4171} (( segid " " and resid 70 and name HG3 )) (( segid " " and resid 48 and name HA )) 3.700 1.700 1.700 peak 4171 spectrum 1 weight 0.10000E+01 volume 0.13966E-02 ppm1 2.389 ppm2 5.171 CV 1 ASSI { 4177} (( segid " " and resid 70 and name HG2 )) (( segid " " and resid 70 and name HN )) 3.800 1.800 1.800 peak 4177 spectrum 1 weight 0.10000E+01 volume 0.67419E-03 ppm1 2.549 ppm2 8.938 CV 1 ASSI { 4178} (( segid " " and resid 70 and name HG2 )) (( segid " " and resid 49 and name HN )) 5.200 3.400 0.800 peak 4178 spectrum 1 weight 0.10000E+01 volume 0.52081E-03 ppm1 2.549 ppm2 9.079 CV 1 ASSI { 4179} (( segid " " and resid 70 and name HG3 )) (( segid " " and resid 70 and name HN )) 3.800 1.800 1.800 peak 4179 spectrum 1 weight 0.10000E+01 volume 0.86429E-03 ppm1 2.389 ppm2 8.938 CV 1 ASSI { 4180} (( segid " " and resid 70 and name HG3 )) (( segid " " and resid 49 and name HN )) 5.200 3.300 0.800 peak 4180 spectrum 1 weight 0.10000E+01 volume 0.41231E-03 ppm1 2.389 ppm2 9.079 CV 1 ASSI { 4183} (( segid " " and resid 71 and name HB3 )) (( segid " " and resid 95 and name HA )) 4.000 2.000 2.000 peak 4183 spectrum 1 weight 0.10000E+01 volume 0.69919E-03 ppm1 1.669 ppm2 4.227 CV 1 ASSI { 4184} (( segid " " and resid 71 and name HB2 )) (( segid " " and resid 95 and name HA )) 3.400 1.500 1.500 peak 4184 spectrum 1 weight 0.10000E+01 volume 0.68967E-03 ppm1 1.849 ppm2 4.218 CV 1 ASSI { 4185} (( segid " " and resid 71 and name HB3 )) (( segid " " and resid 71 and name HB2 )) 1.900 0.400 0.400 peak 4185 spectrum 1 weight 0.10000E+01 volume 0.56014E-02 ppm1 1.668 ppm2 1.842 CV 1 ASSI { 4186} (( segid " " and resid 71 and name HB3 )) (( segid " " and resid 71 and name HG )) 3.000 1.100 1.100 peak 4186 spectrum 1 weight 0.10000E+01 volume 0.17745E-02 ppm1 1.668 ppm2 1.374 CV 1 ASSI { 4189} (( segid " " and resid 71 and name HB2 )) (( segid " " and resid 71 and name HG )) 2.900 1.100 1.100 peak 4189 spectrum 1 weight 0.10000E+01 volume 0.20911E-02 ppm1 1.849 ppm2 1.374 CV 1 ASSI { 4190} (( segid " " and resid 71 and name HB2 )) ( segid " " and resid 71 and name HD1%) 2.500 0.800 0.800 peak 4190 spectrum 1 weight 0.10000E+01 volume 0.69563E-02 ppm1 1.849 ppm2 0.732 CV 1 OR { 4190} (( segid " " and resid 71 and name HB2 )) ( segid " " and resid 71 and name HD2%) ASSI { 4191} (( segid " " and resid 71 and name HB3 )) ( segid " " and resid 71 and name HD2%) 2.500 0.800 0.800 peak 4191 spectrum 1 weight 0.10000E+01 volume 0.71112E-02 ppm1 1.668 ppm2 0.735 CV 1 OR { 4191} (( segid " " and resid 71 and name HB3 )) ( segid " " and resid 71 and name HD1%) ASSI { 4193} (( segid " " and resid 73 and name HB2 )) (( segid " " and resid 73 and name HB3 )) 1.700 0.400 0.500 peak 4193 spectrum 1 weight 0.10000E+01 volume 0.86254E-02 ppm1 2.249 ppm2 2.063 CV 1 ASSI { 4194} (( segid " " and resid 73 and name HB2 )) ( segid " " and resid 50 and name HG2%) 3.800 1.800 1.800 peak 4194 spectrum 1 weight 0.10000E+01 volume 0.70220E-03 ppm1 2.249 ppm2 0.709 CV 1 ASSI { 4195} (( segid " " and resid 73 and name HB3 )) (( segid " " and resid 51 and name HB3 )) 4.400 2.400 1.600 peak 4195 spectrum 1 weight 0.10000E+01 volume 0.13543E-02 ppm1 2.044 ppm2 2.354 CV 1 ASSI { 4196} (( segid " " and resid 73 and name HB3 )) (( segid " " and resid 73 and name HB2 )) 1.800 0.400 0.400 peak 4196 spectrum 1 weight 0.10000E+01 volume 0.99903E-02 ppm1 2.044 ppm2 2.235 CV 1 OR { 4196} (( segid " " and resid 73 and name HB3 )) (( segid " " and resid 73 and name HG2 )) ASSI { 4198} (( segid " " and resid 73 and name HB2 )) (( segid " " and resid 51 and name HB3 )) 4.400 2.400 1.600 peak 4198 spectrum 1 weight 0.10000E+01 volume 0.10593E-02 ppm1 2.249 ppm2 2.355 CV 1 ASSI { 4201} ( segid " " and resid 71 and name HD1%) (( segid " " and resid 71 and name HB3 )) 2.900 1.000 1.000 peak 4201 spectrum 1 weight 0.10000E+01 volume 0.45839E-02 ppm1 0.727 ppm2 1.664 CV 1 ASSI { 4204} ( segid " " and resid 71 and name HD1%) (( segid " " and resid 71 and name HA )) 3.600 1.600 1.600 peak 4204 spectrum 1 weight 0.10000E+01 volume 0.13507E-02 ppm1 0.727 ppm2 4.466 CV 1 ASSI { 4206} ( segid " " and resid 71 and name HD1%) (( segid " " and resid 71 and name HN )) 3.700 1.800 1.800 peak 4206 spectrum 1 weight 0.10000E+01 volume 0.11326E-02 ppm1 0.727 ppm2 8.332 CV 1 ASSI { 4207} (( segid " " and resid 75 and name HB3 )) (( segid " " and resid 75 and name HB2 )) 1.700 0.400 0.500 peak 4207 spectrum 1 weight 0.10000E+01 volume 0.10008E-01 ppm1 1.541 ppm2 2.030 CV 1 ASSI { 4211} (( segid " " and resid 86 and name HD2 )) (( segid " " and resid 86 and name HE3 )) 2.700 0.900 0.900 peak 4211 spectrum 1 weight 0.10000E+01 volume 0.18961E-02 ppm1 1.435 ppm2 2.946 CV 1 ASSI { 4212} (( segid " " and resid 86 and name HD2 )) (( segid " " and resid 86 and name HE2 )) 3.200 1.300 1.300 peak 4212 spectrum 1 weight 0.10000E+01 volume 0.17394E-02 ppm1 1.435 ppm2 3.016 CV 1 ASSI { 4213} (( segid " " and resid 76 and name HG12)) (( segid " " and resid 74 and name HB2 )) 2.900 1.100 1.100 peak 4213 spectrum 1 weight 0.10000E+01 volume 0.82080E-03 ppm1 1.408 ppm2 3.185 CV 1 OR { 4213} (( segid " " and resid 76 and name HG12)) (( segid " " and resid 74 and name HB3 )) ASSI { 4216} (( segid " " and resid 76 and name HG12)) (( segid " " and resid 76 and name HG13)) 1.700 0.400 0.500 peak 4216 spectrum 1 weight 0.10000E+01 volume 0.91560E-02 ppm1 1.408 ppm2 0.924 CV 1 OR { 4216} (( segid " " and resid 76 and name HG12)) ( segid " " and resid 76 and name HG2%) ASSI { 4218} (( segid " " and resid 76 and name HG13)) (( segid " " and resid 74 and name HB2 )) 4.000 2.000 2.000 peak 4218 spectrum 1 weight 0.10000E+01 volume 0.59477E-03 ppm1 0.928 ppm2 3.185 CV 1 OR { 4218} (( segid " " and resid 76 and name HG13)) (( segid " " and resid 74 and name HB3 )) ASSI { 4219} (( segid " " and resid 76 and name HG13)) (( segid " " and resid 76 and name HA )) 3.800 1.800 1.800 peak 4219 spectrum 1 weight 0.10000E+01 volume 0.14211E-02 ppm1 0.928 ppm2 3.692 CV 1 ASSI { 4223} (( segid " " and resid 76 and name HG12)) (( segid " " and resid 75 and name HN )) 3.800 1.800 1.800 peak 4223 spectrum 1 weight 0.10000E+01 volume 0.68787E-03 ppm1 1.408 ppm2 8.698 CV 1 ASSI { 4224} (( segid " " and resid 76 and name HG12)) (( segid " " and resid 76 and name HN )) 2.400 0.700 0.700 peak 4224 spectrum 1 weight 0.10000E+01 volume 0.19075E-02 ppm1 1.408 ppm2 8.910 CV 1 ASSI { 4225} (( segid " " and resid 76 and name HG13)) (( segid " " and resid 76 and name HN )) 3.900 1.900 1.900 peak 4225 spectrum 1 weight 0.10000E+01 volume 0.16571E-02 ppm1 0.928 ppm2 8.910 CV 1 ASSI { 4226} ( segid " " and resid 76 and name HD1%) (( segid " " and resid 75 and name HN )) 3.700 1.800 1.800 peak 4226 spectrum 1 weight 0.10000E+01 volume 0.10199E-02 ppm1 0.761 ppm2 8.698 CV 1 ASSI { 4227} ( segid " " and resid 76 and name HD1%) ( segid " " and resid 76 and name HG2%) 1.900 0.400 0.400 peak 4227 spectrum 1 weight 0.10000E+01 volume 0.22985E-01 ppm1 0.761 ppm2 0.932 CV 1 OR { 4227} ( segid " " and resid 76 and name HD1%) (( segid " " and resid 76 and name HG13)) ASSI { 4228} ( segid " " and resid 76 and name HD1%) (( segid " " and resid 76 and name HG12)) 2.000 0.500 0.500 peak 4228 spectrum 1 weight 0.10000E+01 volume 0.10974E-01 ppm1 0.761 ppm2 1.397 CV 1 ASSI { 4230} ( segid " " and resid 76 and name HD1%) (( segid " " and resid 74 and name HB3 )) 2.800 1.000 1.000 peak 4230 spectrum 1 weight 0.10000E+01 volume 0.23754E-02 ppm1 0.761 ppm2 3.185 CV 1 OR { 4230} ( segid " " and resid 76 and name HD1%) (( segid " " and resid 74 and name HB2 )) ASSI { 4231} ( segid " " and resid 76 and name HD1%) (( segid " " and resid 56 and name HA )) 3.200 1.300 1.300 peak 4231 spectrum 1 weight 0.10000E+01 volume 0.12047E-02 ppm1 0.761 ppm2 4.875 CV 1 ASSI { 4234} ( segid " " and resid 76 and name HG2%) (( segid " " and resid 56 and name HA )) 3.700 1.700 1.700 peak 4234 spectrum 1 weight 0.10000E+01 volume 0.88579E-03 ppm1 0.941 ppm2 4.883 CV 1 ASSI { 4235} ( segid " " and resid 76 and name HG2%) (( segid " " and resid 77 and name HA )) 3.800 1.800 1.800 peak 4235 spectrum 1 weight 0.10000E+01 volume 0.89410E-03 ppm1 0.941 ppm2 4.960 CV 1 ASSI { 4237} (( segid " " and resid 76 and name HB )) (( segid " " and resid 99 and name HN )) 3.700 1.700 1.700 peak 4237 spectrum 1 weight 0.10000E+01 volume 0.57092E-03 ppm1 1.644 ppm2 7.908 CV 1 ASSI { 4238} (( segid " " and resid 76 and name HA )) (( segid " " and resid 55 and name HA )) 3.200 1.200 1.200 peak 4238 spectrum 1 weight 0.10000E+01 volume 0.10467E-02 ppm1 3.688 ppm2 4.327 CV 1 ASSI { 4240} (( segid " " and resid 76 and name HA )) (( segid " " and resid 77 and name HA )) 4.400 2.500 1.600 peak 4240 spectrum 1 weight 0.10000E+01 volume 0.72605E-03 ppm1 3.688 ppm2 4.968 CV 1 ASSI { 4241} ( segid " " and resid 76 and name HG2%) (( segid " " and resid 79 and name HB2 )) 3.700 1.800 1.800 peak 4241 spectrum 1 weight 0.10000E+01 volume 0.92632E-03 ppm1 0.941 ppm2 2.981 CV 1 OR { 4241} ( segid " " and resid 76 and name HG2%) (( segid " " and resid 79 and name HB3 )) ASSI { 4244} ( segid " " and resid 30 and name HG2%) (( segid " " and resid 32 and name HN )) 4.500 2.500 1.500 peak 4244 spectrum 1 weight 0.10000E+01 volume 0.58104E-03 ppm1 0.956 ppm2 7.657 CV 1 ASSI { 4245} (( segid " " and resid 78 and name HA1 )) (( segid " " and resid 78 and name HA2 )) 1.800 0.400 0.400 peak 4245 spectrum 1 weight 0.10000E+01 volume 0.11141E-01 ppm1 4.216 ppm2 4.021 CV 1 ASSI { 4247} (( segid " " and resid 79 and name HB3 )) (( segid " " and resid 82 and name HB )) 3.900 1.900 1.900 peak 4247 spectrum 1 weight 0.10000E+01 volume 0.70099E-03 ppm1 2.969 ppm2 2.151 CV 1 OR { 4247} (( segid " " and resid 79 and name HB2 )) (( segid " " and resid 82 and name HB )) ASSI { 4248} (( segid " " and resid 79 and name HB3 )) (( segid " " and resid 58 and name HB3 )) 3.600 1.600 1.600 peak 4248 spectrum 1 weight 0.10000E+01 volume 0.64077E-03 ppm1 2.969 ppm2 3.846 CV 1 OR { 4248} (( segid " " and resid 79 and name HB2 )) (( segid " " and resid 58 and name HB3 )) ASSI { 4250} (( segid " " and resid 79 and name HB3 )) (( segid " " and resid 82 and name HN )) 4.000 2.000 2.000 peak 4250 spectrum 1 weight 0.10000E+01 volume 0.70280E-03 ppm1 2.969 ppm2 7.598 CV 1 OR { 4250} (( segid " " and resid 79 and name HB2 )) (( segid " " and resid 82 and name HN )) ASSI { 4252} (( segid " " and resid 79 and name HB2 )) (( segid " " and resid 57 and name HN )) 3.800 1.800 1.800 peak 4252 spectrum 1 weight 0.10000E+01 volume 0.54857E-03 ppm1 2.969 ppm2 8.826 CV 1 OR { 4252} (( segid " " and resid 79 and name HB3 )) (( segid " " and resid 57 and name HN )) ASSI { 4254} (( segid " " and resid 80 and name HB2 )) (( segid " " and resid 108 and name HG2 )) 3.100 1.200 1.200 peak 4254 spectrum 1 weight 0.10000E+01 volume 0.80231E-03 ppm1 1.750 ppm2 2.053 CV 1 OR { 4254} (( segid " " and resid 80 and name HB2 )) (( segid " " and resid 108 and name HG3 )) ASSI { 4255} (( segid " " and resid 80 and name HB2 )) (( segid " " and resid 108 and name HB3 )) 4.100 2.100 1.900 peak 4255 spectrum 1 weight 0.10000E+01 volume 0.57498E-03 ppm1 1.750 ppm2 1.166 CV 1 ASSI { 4257} (( segid " " and resid 80 and name HB3 )) (( segid " " and resid 108 and name HG2 )) 4.900 3.000 1.100 peak 4257 spectrum 1 weight 0.10000E+01 volume 0.61872E-03 ppm1 1.443 ppm2 2.048 CV 1 OR { 4257} (( segid " " and resid 80 and name HB3 )) (( segid " " and resid 108 and name HG3 )) ASSI { 4258} ( segid " " and resid 80 and name HD2%) (( segid " " and resid 80 and name HB3 )) 2.500 0.800 0.800 peak 4258 spectrum 1 weight 0.10000E+01 volume 0.53559E-02 ppm1 0.661 ppm2 1.434 CV 1 ASSI { 4259} ( segid " " and resid 80 and name HD2%) (( segid " " and resid 80 and name HG )) 2.100 0.600 0.600 peak 4259 spectrum 1 weight 0.10000E+01 volume 0.96385E-02 ppm1 0.661 ppm2 1.568 CV 1 ASSI { 4260} ( segid " " and resid 80 and name HD2%) (( segid " " and resid 80 and name HB2 )) 3.300 1.400 1.400 peak 4260 spectrum 1 weight 0.10000E+01 volume 0.35759E-02 ppm1 0.661 ppm2 1.750 CV 1 ASSI { 4261} ( segid " " and resid 80 and name HD2%) (( segid " " and resid 80 and name HA )) 2.100 0.500 0.500 peak 4261 spectrum 1 weight 0.10000E+01 volume 0.11200E-01 ppm1 0.661 ppm2 3.990 CV 1 ASSI { 4262} ( segid " " and resid 80 and name HD2%) (( segid " " and resid 78 and name HN )) 3.800 1.800 1.800 peak 4262 spectrum 1 weight 0.10000E+01 volume 0.89947E-03 ppm1 0.661 ppm2 7.247 CV 1 ASSI { 4267} ( segid " " and resid 76 and name HD1%) (( segid " " and resid 76 and name HN )) 3.500 1.500 1.500 peak 4267 spectrum 1 weight 0.10000E+01 volume 0.24058E-02 ppm1 0.761 ppm2 8.900 CV 1 ASSI { 4270} ( segid " " and resid 76 and name HD1%) (( segid " " and resid 56 and name HN )) 3.600 1.600 1.600 peak 4270 spectrum 1 weight 0.10000E+01 volume 0.77074E-03 ppm1 0.761 ppm2 7.683 CV 1 ASSI { 4271} ( segid " " and resid 76 and name HD1%) (( segid " " and resid 98 and name HD21)) 4.900 3.000 1.100 peak 4271 spectrum 1 weight 0.10000E+01 volume 0.72244E-03 ppm1 0.761 ppm2 7.612 CV 1 ASSI { 4272} ( segid " " and resid 76 and name HD1%) (( segid " " and resid 74 and name HD22)) 2.900 1.100 1.100 peak 4272 spectrum 1 weight 0.10000E+01 volume 0.86134E-03 ppm1 0.761 ppm2 7.182 CV 1 ASSI { 4274} ( segid " " and resid 76 and name HD1%) (( segid " " and resid 71 and name HB2 )) 3.700 1.700 1.700 peak 4274 spectrum 1 weight 0.10000E+01 volume 0.21864E-02 ppm1 0.761 ppm2 1.858 CV 1 ASSI { 4275} ( segid " " and resid 76 and name HD1%) (( segid " " and resid 98 and name HB2 )) 5.500 3.800 0.500 peak 4275 spectrum 1 weight 0.10000E+01 volume 0.64913E-03 ppm1 0.761 ppm2 3.010 CV 1 ASSI { 4276} ( segid " " and resid 50 and name HD1%) (( segid " " and resid 50 and name HA )) 2.700 0.900 0.900 peak 4276 spectrum 1 weight 0.10000E+01 volume 0.24982E-02 ppm1 0.770 ppm2 4.264 CV 1 ASSI { 4279} ( segid " " and resid 76 and name HD1%) (( segid " " and resid 55 and name HA )) 3.300 1.400 1.400 peak 4279 spectrum 1 weight 0.10000E+01 volume 0.12184E-02 ppm1 0.761 ppm2 4.319 CV 1 ASSI { 4280} ( segid " " and resid 76 and name HD1%) (( segid " " and resid 71 and name HA )) 4.400 2.400 1.600 peak 4280 spectrum 1 weight 0.10000E+01 volume 0.54656E-03 ppm1 0.761 ppm2 4.465 CV 1 ASSI { 4286} (( segid " " and resid 81 and name HA )) (( segid " " and resid 108 and name HA )) 4.300 2.300 1.700 peak 4286 spectrum 1 weight 0.10000E+01 volume 0.94957E-03 ppm1 4.022 ppm2 4.401 CV 1 ASSI { 4287} (( segid " " and resid 81 and name HA )) (( segid " " and resid 108 and name HB3 )) 2.300 0.700 0.700 peak 4287 spectrum 1 weight 0.10000E+01 volume 0.32642E-02 ppm1 4.022 ppm2 1.162 CV 1 ASSI { 4292} (( segid " " and resid 81 and name HA )) (( segid " " and resid 82 and name HN )) 3.500 1.600 1.600 peak 4292 spectrum 1 weight 0.10000E+01 volume 0.79575E-03 ppm1 4.022 ppm2 7.577 CV 1 ASSI { 4293} (( segid " " and resid 81 and name HA )) (( segid " " and resid 84 and name HN )) 3.000 1.200 1.200 peak 4293 spectrum 1 weight 0.10000E+01 volume 0.12989E-02 ppm1 4.022 ppm2 7.351 CV 1 ASSI { 4294} (( segid " " and resid 81 and name HA )) (( segid " " and resid 80 and name HN )) 4.800 2.900 1.200 peak 4294 spectrum 1 weight 0.10000E+01 volume 0.63305E-03 ppm1 4.022 ppm2 9.008 CV 1 ASSI { 4297} (( segid " " and resid 82 and name HA )) (( segid " " and resid 85 and name HN )) 3.200 1.300 1.300 peak 4297 spectrum 1 weight 0.10000E+01 volume 0.15015E-02 ppm1 3.951 ppm2 7.003 CV 1 ASSI { 4298} (( segid " " and resid 82 and name HA )) (( segid " " and resid 83 and name HN )) 3.300 1.300 1.300 peak 4298 spectrum 1 weight 0.10000E+01 volume 0.13793E-02 ppm1 3.951 ppm2 7.298 CV 1 ASSI { 4303} ( segid " " and resid 82 and name HG1%) (( segid " " and resid 58 and name HA )) 2.500 0.800 0.800 peak 4303 spectrum 1 weight 0.10000E+01 volume 0.63425E-02 ppm1 1.064 ppm2 4.054 CV 1 ASSI { 4304} ( segid " " and resid 82 and name HG1%) (( segid " " and resid 60 and name HB3 )) 2.600 0.800 0.800 peak 4304 spectrum 1 weight 0.10000E+01 volume 0.49880E-02 ppm1 1.064 ppm2 1.531 CV 1 OR { 4304} ( segid " " and resid 82 and name HG1%) (( segid " " and resid 60 and name HB2 )) ASSI { 4305} ( segid " " and resid 82 and name HG1%) (( segid " " and resid 86 and name HD2 )) 2.900 1.000 1.000 peak 4305 spectrum 1 weight 0.10000E+01 volume 0.38847E-02 ppm1 1.064 ppm2 1.443 CV 1 OR { 4305} ( segid " " and resid 82 and name HG1%) (( segid " " and resid 86 and name HG2 )) OR { 4305} ( segid " " and resid 82 and name HG1%) (( segid " " and resid 86 and name HG3 )) ASSI { 4308} ( segid " " and resid 82 and name HG1%) (( segid " " and resid 83 and name HN )) 2.500 0.800 0.800 peak 4308 spectrum 1 weight 0.10000E+01 volume 0.42530E-02 ppm1 1.064 ppm2 7.295 CV 1 ASSI { 4309} ( segid " " and resid 82 and name HG1%) (( segid " " and resid 82 and name HN )) 2.400 0.700 0.700 peak 4309 spectrum 1 weight 0.10000E+01 volume 0.92988E-02 ppm1 1.064 ppm2 7.591 CV 1 ASSI { 4310} ( segid " " and resid 82 and name HG1%) (( segid " " and resid 86 and name HN )) 3.900 1.900 1.900 peak 4310 spectrum 1 weight 0.10000E+01 volume 0.88874E-03 ppm1 1.064 ppm2 8.171 CV 1 ASSI { 4311} ( segid " " and resid 82 and name HG1%) (( segid " " and resid 58 and name HN )) 3.100 3.100 2.900 peak 4311 spectrum 1 weight 0.10000E+01 volume 0.54381E-03 ppm1 1.064 ppm2 8.510 CV 1 ASSI { 4313} ( segid " " and resid 82 and name HG1%) (( segid " " and resid 81 and name HN )) 4.100 2.100 1.900 peak 4313 spectrum 1 weight 0.10000E+01 volume 0.10443E-02 ppm1 1.064 ppm2 10.032 CV 1 ASSI { 4316} ( segid " " and resid 82 and name HG2%) (( segid " " and resid 86 and name HD2 )) 2.900 1.100 1.100 peak 4316 spectrum 1 weight 0.10000E+01 volume 0.37547E-02 ppm1 0.971 ppm2 1.440 CV 1 OR { 4316} ( segid " " and resid 82 and name HG2%) (( segid " " and resid 86 and name HG2 )) OR { 4316} ( segid " " and resid 82 and name HG2%) (( segid " " and resid 86 and name HG3 )) ASSI { 4318} ( segid " " and resid 82 and name HG2%) (( segid " " and resid 86 and name HE3 )) 2.700 0.900 0.900 peak 4318 spectrum 1 weight 0.10000E+01 volume 0.26585E-02 ppm1 0.971 ppm2 2.962 CV 1 ASSI { 4319} ( segid " " and resid 82 and name HG2%) (( segid " " and resid 82 and name HA )) 2.400 0.700 0.700 peak 4319 spectrum 1 weight 0.10000E+01 volume 0.92988E-02 ppm1 0.971 ppm2 3.942 CV 1 ASSI { 4320} ( segid " " and resid 82 and name HG2%) (( segid " " and resid 58 and name HA )) 2.600 0.900 0.900 peak 4320 spectrum 1 weight 0.10000E+01 volume 0.47967E-02 ppm1 0.971 ppm2 4.046 CV 1 ASSI { 4323} ( segid " " and resid 82 and name HG2%) ( segid " " and resid 83 and name HD2%) 3.300 1.300 1.300 peak 4323 spectrum 1 weight 0.10000E+01 volume 0.37005E-02 ppm1 0.971 ppm2 0.621 CV 1 ASSI { 4324} ( segid " " and resid 82 and name HG2%) (( segid " " and resid 85 and name HN )) 4.300 2.300 1.700 peak 4324 spectrum 1 weight 0.10000E+01 volume 0.65034E-03 ppm1 0.971 ppm2 7.001 CV 1 ASSI { 4327} ( segid " " and resid 82 and name HG2%) (( segid " " and resid 86 and name HN )) 4.100 2.100 1.900 peak 4327 spectrum 1 weight 0.10000E+01 volume 0.76062E-03 ppm1 0.971 ppm2 8.174 CV 1 ASSI { 4330} ( segid " " and resid 82 and name HG1%) ( segid " " and resid 83 and name HD2%) 2.900 1.100 1.100 peak 4330 spectrum 1 weight 0.10000E+01 volume 0.28046E-02 ppm1 1.064 ppm2 0.636 CV 1 ASSI { 4332} ( segid " " and resid 82 and name HG1%) (( segid " " and resid 85 and name HB2 )) 3.400 1.400 1.400 peak 4332 spectrum 1 weight 0.10000E+01 volume 0.19694E-02 ppm1 1.064 ppm2 2.062 CV 1 OR { 4332} ( segid " " and resid 82 and name HG1%) (( segid " " and resid 85 and name HB3 )) ASSI { 4333} ( segid " " and resid 82 and name HG2%) (( segid " " and resid 86 and name HB3 )) 4.300 2.300 1.700 peak 4333 spectrum 1 weight 0.10000E+01 volume 0.86314E-03 ppm1 0.971 ppm2 1.757 CV 1 ASSI { 4337} (( segid " " and resid 83 and name HA )) (( segid " " and resid 84 and name HN )) 3.300 1.400 1.400 peak 4337 spectrum 1 weight 0.10000E+01 volume 0.13602E-02 ppm1 3.912 ppm2 7.385 CV 1 ASSI { 4338} (( segid " " and resid 83 and name HA )) (( segid " " and resid 86 and name HN )) 3.200 1.300 1.300 peak 4338 spectrum 1 weight 0.10000E+01 volume 0.88995E-03 ppm1 3.912 ppm2 8.162 CV 1 ASSI { 4339} (( segid " " and resid 83 and name HA )) (( segid " " and resid 87 and name HN )) 3.400 1.400 1.400 peak 4339 spectrum 1 weight 0.10000E+01 volume 0.10783E-02 ppm1 3.912 ppm2 8.464 CV 1 ASSI { 4342} (( segid " " and resid 83 and name HA )) (( segid " " and resid 87 and name HB2 )) 3.100 1.200 1.200 peak 4342 spectrum 1 weight 0.10000E+01 volume 0.88338E-03 ppm1 3.912 ppm2 3.075 CV 1 ASSI { 4343} (( segid " " and resid 83 and name HA )) (( segid " " and resid 86 and name HE3 )) 3.900 1.900 1.900 peak 4343 spectrum 1 weight 0.10000E+01 volume 0.75346E-03 ppm1 3.912 ppm2 2.980 CV 1 ASSI { 4347} ( segid " " and resid 83 and name HD2%) (( segid " " and resid 87 and name HN )) 4.300 2.300 1.700 peak 4347 spectrum 1 weight 0.10000E+01 volume 0.10079E-02 ppm1 0.637 ppm2 8.446 CV 1 ASSI { 4348} ( segid " " and resid 83 and name HD2%) (( segid " " and resid 86 and name HN )) 4.600 2.700 1.400 peak 4348 spectrum 1 weight 0.10000E+01 volume 0.59286E-03 ppm1 0.637 ppm2 8.173 CV 1 ASSI { 4352} ( segid " " and resid 83 and name HD1%) (( segid " " and resid 83 and name HA )) 4.000 2.000 2.000 peak 4352 spectrum 1 weight 0.10000E+01 volume 0.24904E-02 ppm1 0.792 ppm2 3.912 CV 1 ASSI { 4361} (( segid " " and resid 84 and name HA )) (( segid " " and resid 112 and name HG )) 2.900 1.100 1.100 peak 4361 spectrum 1 weight 0.10000E+01 volume 0.13483E-02 ppm1 3.903 ppm2 1.514 CV 1 ASSI { 4366} ( segid " " and resid 84 and name HB% ) (( segid " " and resid 86 and name HN )) 4.400 2.400 1.600 peak 4366 spectrum 1 weight 0.10000E+01 volume 0.76237E-03 ppm1 1.334 ppm2 8.175 CV 1 ASSI { 4367} ( segid " " and resid 84 and name HB% ) (( segid " " and resid 112 and name HN )) 4.100 2.100 1.900 peak 4367 spectrum 1 weight 0.10000E+01 volume 0.78267E-03 ppm1 1.334 ppm2 7.187 CV 1 ASSI { 4369} ( segid " " and resid 84 and name HB% ) (( segid " " and resid 111 and name HE3 )) 3.900 1.900 1.900 peak 4369 spectrum 1 weight 0.10000E+01 volume 0.11284E-02 ppm1 1.334 ppm2 2.987 CV 1 OR { 4369} ( segid " " and resid 84 and name HB% ) (( segid " " and resid 111 and name HE2 )) ASSI { 4371} ( segid " " and resid 84 and name HB% ) (( segid " " and resid 111 and name HA )) 3.800 1.800 1.800 peak 4371 spectrum 1 weight 0.10000E+01 volume 0.25131E-02 ppm1 1.334 ppm2 4.189 CV 1 ASSI { 4372} ( segid " " and resid 84 and name HB% ) (( segid " " and resid 112 and name HA )) 4.400 2.400 1.600 peak 4372 spectrum 1 weight 0.10000E+01 volume 0.77074E-03 ppm1 1.334 ppm2 4.600 CV 1 ASSI { 4375} ( segid " " and resid 84 and name HB% ) ( segid " " and resid 112 and name HD2%) 3.300 1.300 1.300 peak 4375 spectrum 1 weight 0.10000E+01 volume 0.46649E-02 ppm1 1.334 ppm2 0.850 CV 1 ASSI { 4376} ( segid " " and resid 84 and name HB% ) ( segid " " and resid 112 and name HD1%) 3.900 1.900 1.900 peak 4376 spectrum 1 weight 0.10000E+01 volume 0.15266E-02 ppm1 1.334 ppm2 0.956 CV 1 ASSI { 4377} ( segid " " and resid 84 and name HB% ) (( segid " " and resid 111 and name HB3 )) 2.500 0.800 0.800 peak 4377 spectrum 1 weight 0.10000E+01 volume 0.54942E-02 ppm1 1.334 ppm2 1.625 CV 1 ASSI { 4378} ( segid " " and resid 84 and name HB% ) (( segid " " and resid 111 and name HD2 )) 2.700 0.900 0.900 peak 4378 spectrum 1 weight 0.10000E+01 volume 0.41612E-02 ppm1 1.334 ppm2 1.692 CV 1 OR { 4378} ( segid " " and resid 84 and name HB% ) (( segid " " and resid 111 and name HD3 )) ASSI { 4380} (( segid " " and resid 85 and name HB2 )) (( segid " " and resid 84 and name HN )) 4.600 2.600 1.400 peak 4380 spectrum 1 weight 0.10000E+01 volume 0.87922E-03 ppm1 2.071 ppm2 7.378 CV 1 OR { 4380} (( segid " " and resid 85 and name HB3 )) (( segid " " and resid 84 and name HN )) ASSI { 4381} (( segid " " and resid 85 and name HB2 )) (( segid " " and resid 86 and name HN )) 2.600 0.800 0.800 peak 4381 spectrum 1 weight 0.10000E+01 volume 0.41124E-02 ppm1 2.071 ppm2 8.171 CV 1 OR { 4381} (( segid " " and resid 85 and name HB3 )) (( segid " " and resid 86 and name HN )) ASSI { 4382} (( segid " " and resid 85 and name HB2 )) (( segid " " and resid 85 and name HG2 )) 2.500 0.800 0.800 peak 4382 spectrum 1 weight 0.10000E+01 volume 0.71412E-02 ppm1 2.071 ppm2 2.321 CV 1 OR { 4382} (( segid " " and resid 85 and name HB3 )) (( segid " " and resid 85 and name HG2 )) ASSI { 4385} (( segid " " and resid 85 and name HB2 )) (( segid " " and resid 86 and name HE2 )) 3.500 1.500 1.500 peak 4385 spectrum 1 weight 0.10000E+01 volume 0.79219E-03 ppm1 2.071 ppm2 3.005 CV 1 OR { 4385} (( segid " " and resid 85 and name HB3 )) (( segid " " and resid 86 and name HE2 )) ASSI { 4387} (( segid " " and resid 85 and name HB2 )) (( segid " " and resid 86 and name HG2 )) 3.000 1.100 1.100 peak 4387 spectrum 1 weight 0.10000E+01 volume 0.37982E-02 ppm1 2.071 ppm2 1.454 CV 1 OR { 4387} (( segid " " and resid 85 and name HB3 )) (( segid " " and resid 86 and name HG2 )) OR { 4387} (( segid " " and resid 85 and name HB2 )) (( segid " " and resid 86 and name HG3 )) OR { 4387} (( segid " " and resid 85 and name HB3 )) (( segid " " and resid 86 and name HG3 )) ASSI { 4388} (( segid " " and resid 85 and name HB2 )) ( segid " " and resid 84 and name HB% ) 4.200 2.200 1.800 peak 4388 spectrum 1 weight 0.10000E+01 volume 0.12184E-02 ppm1 2.071 ppm2 1.328 CV 1 OR { 4388} (( segid " " and resid 85 and name HB3 )) ( segid " " and resid 84 and name HB% ) ASSI { 4390} (( segid " " and resid 85 and name HB2 )) ( segid " " and resid 82 and name HG2%) 4.000 2.000 2.000 peak 4390 spectrum 1 weight 0.10000E+01 volume 0.73677E-03 ppm1 2.071 ppm2 0.975 CV 1 OR { 4390} (( segid " " and resid 85 and name HB3 )) ( segid " " and resid 82 and name HG2%) ASSI { 4396} (( segid " " and resid 85 and name HG3 )) (( segid " " and resid 82 and name HA )) 3.400 1.500 1.500 peak 4396 spectrum 1 weight 0.10000E+01 volume 0.11242E-02 ppm1 2.167 ppm2 3.948 CV 1 ASSI { 4397} (( segid " " and resid 85 and name HB2 )) (( segid " " and resid 82 and name HA )) 2.800 1.000 1.000 peak 4397 spectrum 1 weight 0.10000E+01 volume 0.36462E-02 ppm1 2.071 ppm2 3.947 CV 1 OR { 4397} (( segid " " and resid 85 and name HB3 )) (( segid " " and resid 82 and name HA )) ASSI { 4404} (( segid " " and resid 86 and name HD2 )) (( segid " " and resid 86 and name HB2 )) 3.800 1.800 1.800 peak 4404 spectrum 1 weight 0.10000E+01 volume 0.13483E-02 ppm1 1.435 ppm2 2.350 CV 1 ASSI { 4405} (( segid " " and resid 86 and name HD3 )) (( segid " " and resid 86 and name HB2 )) 3.000 1.100 1.100 peak 4405 spectrum 1 weight 0.10000E+01 volume 0.13889E-02 ppm1 1.265 ppm2 2.337 CV 1 ASSI { 4406} (( segid " " and resid 86 and name HE3 )) ( segid " " and resid 82 and name HG1%) 3.300 1.400 1.400 peak 4406 spectrum 1 weight 0.10000E+01 volume 0.10563E-02 ppm1 2.941 ppm2 1.056 CV 1 ASSI { 4408} (( segid " " and resid 86 and name HE3 )) (( segid " " and resid 86 and name HB2 )) 4.200 2.200 1.800 peak 4408 spectrum 1 weight 0.10000E+01 volume 0.11993E-02 ppm1 2.941 ppm2 2.336 CV 1 ASSI { 4410} (( segid " " and resid 86 and name HE3 )) (( segid " " and resid 85 and name HB2 )) 3.000 1.100 1.100 peak 4410 spectrum 1 weight 0.10000E+01 volume 0.16851E-02 ppm1 2.941 ppm2 2.066 CV 1 OR { 4410} (( segid " " and resid 86 and name HE3 )) (( segid " " and resid 85 and name HB3 )) ASSI { 4411} (( segid " " and resid 86 and name HE3 )) (( segid " " and resid 86 and name HD2 )) 2.200 0.600 0.600 peak 4411 spectrum 1 weight 0.10000E+01 volume 0.74985E-02 ppm1 2.941 ppm2 1.442 CV 1 OR { 4411} (( segid " " and resid 86 and name HE3 )) (( segid " " and resid 86 and name HG2 )) OR { 4411} (( segid " " and resid 86 and name HE3 )) (( segid " " and resid 86 and name HG3 )) ASSI { 4412} (( segid " " and resid 86 and name HE3 )) (( segid " " and resid 86 and name HD3 )) 2.900 1.000 1.000 peak 4412 spectrum 1 weight 0.10000E+01 volume 0.33595E-02 ppm1 2.941 ppm2 1.272 CV 1 ASSI { 4413} (( segid " " and resid 86 and name HE2 )) (( segid " " and resid 86 and name HG2 )) 2.400 0.700 0.700 peak 4413 spectrum 1 weight 0.10000E+01 volume 0.78978E-02 ppm1 3.022 ppm2 1.441 CV 1 OR { 4413} (( segid " " and resid 86 and name HE2 )) (( segid " " and resid 86 and name HD2 )) OR { 4413} (( segid " " and resid 86 and name HE2 )) (( segid " " and resid 86 and name HG3 )) ASSI { 4414} (( segid " " and resid 86 and name HE2 )) ( segid " " and resid 82 and name HG1%) 2.700 2.700 3.300 peak 4414 spectrum 1 weight 0.10000E+01 volume 0.11677E-02 ppm1 3.022 ppm2 1.066 CV 1 ASSI { 4415} (( segid " " and resid 86 and name HE2 )) ( segid " " and resid 82 and name HG2%) 3.800 1.800 1.800 peak 4415 spectrum 1 weight 0.10000E+01 volume 0.12452E-02 ppm1 3.022 ppm2 0.967 CV 1 ASSI { 4416} (( segid " " and resid 86 and name HE2 )) (( segid " " and resid 86 and name HD3 )) 2.500 0.800 0.800 peak 4416 spectrum 1 weight 0.10000E+01 volume 0.32910E-02 ppm1 3.022 ppm2 1.271 CV 1 ASSI { 4417} (( segid " " and resid 86 and name HE2 )) (( segid " " and resid 86 and name HB2 )) 3.800 1.800 1.800 peak 4417 spectrum 1 weight 0.10000E+01 volume 0.11838E-02 ppm1 3.022 ppm2 2.339 CV 1 ASSI { 4420} (( segid " " and resid 87 and name HB2 )) (( segid " " and resid 87 and name HB3 )) 1.600 0.300 0.600 peak 4420 spectrum 1 weight 0.10000E+01 volume 0.14002E-01 ppm1 3.088 ppm2 2.824 CV 1 ASSI { 4421} (( segid " " and resid 87 and name HB2 )) ( segid " " and resid 83 and name HD2%) 3.500 1.500 1.500 peak 4421 spectrum 1 weight 0.10000E+01 volume 0.14652E-02 ppm1 3.088 ppm2 0.656 CV 1 ASSI { 4431} (( segid " " and resid 87 and name HB3 )) (( segid " " and resid 90 and name HB3 )) 2.700 0.900 0.900 peak 4431 spectrum 1 weight 0.10000E+01 volume 0.14616E-02 ppm1 2.824 ppm2 1.547 CV 1 ASSI { 4438} (( segid " " and resid 87 and name HB3 )) (( segid " " and resid 87 and name HN )) 3.700 1.700 1.700 peak 4438 spectrum 1 weight 0.10000E+01 volume 0.13412E-02 ppm1 2.821 ppm2 8.451 CV 1 ASSI { 4439} (( segid " " and resid 88 and name HB2 )) (( segid " " and resid 88 and name HD3 )) 4.100 2.100 1.900 peak 4439 spectrum 1 weight 0.10000E+01 volume 0.15593E-02 ppm1 2.460 ppm2 3.185 CV 1 ASSI { 4440} (( segid " " and resid 88 and name HB2 )) (( segid " " and resid 88 and name HA )) 2.800 1.000 1.000 peak 4440 spectrum 1 weight 0.10000E+01 volume 0.44426E-02 ppm1 2.460 ppm2 4.224 CV 1 ASSI { 4441} (( segid " " and resid 88 and name HB2 )) (( segid " " and resid 88 and name HB3 )) 1.700 0.400 0.500 peak 4441 spectrum 1 weight 0.10000E+01 volume 0.12089E-01 ppm1 2.460 ppm2 1.954 CV 1 ASSI { 4442} (( segid " " and resid 88 and name HB3 )) (( segid " " and resid 88 and name HD3 )) 3.200 1.300 1.300 peak 4442 spectrum 1 weight 0.10000E+01 volume 0.13042E-02 ppm1 1.950 ppm2 3.185 CV 1 ASSI { 4443} (( segid " " and resid 88 and name HB3 )) (( segid " " and resid 88 and name HA )) 2.500 0.800 0.800 peak 4443 spectrum 1 weight 0.10000E+01 volume 0.41666E-02 ppm1 1.950 ppm2 4.223 CV 1 ASSI { 4444} (( segid " " and resid 88 and name HG3 )) (( segid " " and resid 88 and name HB2 )) 3.000 1.100 1.100 peak 4444 spectrum 1 weight 0.10000E+01 volume 0.22836E-02 ppm1 1.868 ppm2 2.451 CV 1 ASSI { 4445} (( segid " " and resid 88 and name HG3 )) (( segid " " and resid 88 and name HD3 )) 2.500 0.800 0.800 peak 4445 spectrum 1 weight 0.10000E+01 volume 0.25286E-02 ppm1 1.868 ppm2 3.189 CV 1 ASSI { 4448} (( segid " " and resid 88 and name HG2 )) (( segid " " and resid 89 and name HN )) 3.200 1.300 1.300 peak 4448 spectrum 1 weight 0.10000E+01 volume 0.83152E-03 ppm1 2.009 ppm2 8.680 CV 1 ASSI { 4451} (( segid " " and resid 88 and name HG2 )) (( segid " " and resid 88 and name HA )) 4.300 2.300 1.700 peak 4451 spectrum 1 weight 0.10000E+01 volume 0.99011E-03 ppm1 2.009 ppm2 4.231 CV 1 ASSI { 4453} (( segid " " and resid 88 and name HD3 )) (( segid " " and resid 88 and name HG2 )) 3.000 1.100 1.100 peak 4453 spectrum 1 weight 0.10000E+01 volume 0.37816E-02 ppm1 3.191 ppm2 1.996 CV 1 ASSI { 4457} (( segid " " and resid 88 and name HD3 )) (( segid " " and resid 88 and name HD2 )) 1.700 0.400 0.500 peak 4457 spectrum 1 weight 0.10000E+01 volume 0.92868E-02 ppm1 3.191 ppm2 3.433 CV 1 ASSI { 4458} (( segid " " and resid 88 and name HD3 )) (( segid " " and resid 88 and name HA )) 3.500 1.500 1.500 peak 4458 spectrum 1 weight 0.10000E+01 volume 0.12488E-02 ppm1 3.191 ppm2 4.224 CV 1 ASSI { 4460} (( segid " " and resid 88 and name HD3 )) (( segid " " and resid 87 and name HA )) 3.200 1.300 1.300 peak 4460 spectrum 1 weight 0.10000E+01 volume 0.30609E-02 ppm1 3.191 ppm2 5.065 CV 1 ASSI { 4462} (( segid " " and resid 88 and name HD3 )) (( segid " " and resid 89 and name HN )) 4.400 2.500 1.600 peak 4462 spectrum 1 weight 0.10000E+01 volume 0.61040E-03 ppm1 3.191 ppm2 8.684 CV 1 ASSI { 4464} (( segid " " and resid 88 and name HD2 )) (( segid " " and resid 88 and name HA )) 4.200 2.200 1.800 peak 4464 spectrum 1 weight 0.10000E+01 volume 0.73436E-03 ppm1 3.436 ppm2 4.218 CV 1 ASSI { 4466} (( segid " " and resid 88 and name HD2 )) (( segid " " and resid 87 and name HA )) 2.400 0.700 0.700 peak 4466 spectrum 1 weight 0.10000E+01 volume 0.36898E-02 ppm1 3.436 ppm2 5.068 CV 1 ASSI { 4469} (( segid " " and resid 88 and name HD2 )) (( segid " " and resid 88 and name HB2 )) 4.400 2.400 1.600 peak 4469 spectrum 1 weight 0.10000E+01 volume 0.11540E-02 ppm1 3.436 ppm2 2.461 CV 1 ASSI { 4470} (( segid " " and resid 88 and name HD2 )) (( segid " " and resid 88 and name HG3 )) 2.900 1.100 1.100 peak 4470 spectrum 1 weight 0.10000E+01 volume 0.26895E-02 ppm1 3.436 ppm2 1.871 CV 1 ASSI { 4471} (( segid " " and resid 88 and name HD2 )) (( segid " " and resid 88 and name HG2 )) 2.400 0.700 0.700 peak 4471 spectrum 1 weight 0.10000E+01 volume 0.34787E-02 ppm1 3.436 ppm2 1.996 CV 1 ASSI { 4477} (( segid " " and resid 138 and name HG )) (( segid " " and resid 138 and name HA )) 3.000 1.100 1.100 peak 4477 spectrum 1 weight 0.10000E+01 volume 0.26281E-02 ppm1 1.675 ppm2 4.070 CV 1 ASSI { 4479} (( segid " " and resid 138 and name HG )) (( segid " " and resid 139 and name HN )) 3.900 1.900 1.900 peak 4479 spectrum 1 weight 0.10000E+01 volume 0.10783E-02 ppm1 1.675 ppm2 7.906 CV 1 ASSI { 4484} (( segid " " and resid 90 and name HG )) (( segid " " and resid 91 and name HN )) 3.800 1.800 1.800 peak 4484 spectrum 1 weight 0.10000E+01 volume 0.58650E-03 ppm1 1.680 ppm2 8.877 CV 1 ASSI { 4486} (( segid " " and resid 90 and name HB3 )) ( segid " " and resid 90 and name HD1%) 2.400 0.700 0.700 peak 4486 spectrum 1 weight 0.10000E+01 volume 0.69683E-02 ppm1 1.551 ppm2 0.896 CV 1 OR { 4486} (( segid " " and resid 90 and name HB3 )) ( segid " " and resid 90 and name HD2%) ASSI { 4488} (( segid " " and resid 90 and name HB2 )) (( segid " " and resid 90 and name HB3 )) 1.600 0.300 0.600 peak 4488 spectrum 1 weight 0.10000E+01 volume 0.11141E-01 ppm1 1.742 ppm2 1.554 CV 1 ASSI { 4489} (( segid " " and resid 90 and name HB2 )) ( segid " " and resid 90 and name HD2%) 2.500 0.800 0.800 peak 4489 spectrum 1 weight 0.10000E+01 volume 0.59231E-02 ppm1 1.742 ppm2 0.882 CV 1 OR { 4489} (( segid " " and resid 90 and name HB2 )) ( segid " " and resid 90 and name HD1%) ASSI { 4491} (( segid " " and resid 90 and name HB2 )) (( segid " " and resid 91 and name HN )) 4.500 2.500 1.500 peak 4491 spectrum 1 weight 0.10000E+01 volume 0.70756E-03 ppm1 1.742 ppm2 8.888 CV 1 ASSI { 4494} (( segid " " and resid 90 and name HB2 )) (( segid " " and resid 67 and name HA )) 4.300 2.400 1.700 peak 4494 spectrum 1 weight 0.10000E+01 volume 0.65690E-03 ppm1 1.742 ppm2 4.841 CV 1 ASSI { 4499} (( segid " " and resid 91 and name HG2 )) (( segid " " and resid 91 and name HE2 )) 3.000 1.100 1.100 peak 4499 spectrum 1 weight 0.10000E+01 volume 0.26013E-02 ppm1 1.771 ppm2 3.038 CV 1 OR { 4499} (( segid " " and resid 91 and name HG2 )) (( segid " " and resid 91 and name HE3 )) ASSI { 4502} (( segid " " and resid 91 and name HG2 )) (( segid " " and resid 91 and name HN )) 3.300 1.400 1.400 peak 4502 spectrum 1 weight 0.10000E+01 volume 0.85477E-03 ppm1 1.771 ppm2 8.877 CV 1 ASSI { 4504} (( segid " " and resid 91 and name HG3 )) (( segid " " and resid 91 and name HN )) 3.200 1.200 1.200 peak 4504 spectrum 1 weight 0.10000E+01 volume 0.72960E-03 ppm1 1.426 ppm2 8.877 CV 1 ASSI { 4505} (( segid " " and resid 93 and name HB2 )) (( segid " " and resid 93 and name HB3 )) 2.000 0.500 0.500 peak 4505 spectrum 1 weight 0.10000E+01 volume 0.35544E-02 ppm1 1.995 ppm2 1.275 CV 1 ASSI { 4506} (( segid " " and resid 93 and name HB2 )) (( segid " " and resid 93 and name HG )) 3.100 1.200 1.200 peak 4506 spectrum 1 weight 0.10000E+01 volume 0.18801E-02 ppm1 1.995 ppm2 1.371 CV 1 ASSI { 4510} (( segid " " and resid 93 and name HB3 )) ( segid " " and resid 93 and name HD2%) 2.700 0.900 0.900 peak 4510 spectrum 1 weight 0.10000E+01 volume 0.36141E-02 ppm1 1.273 ppm2 0.910 CV 1 ASSI { 4518} (( segid " " and resid 93 and name HG )) (( segid " " and resid 93 and name HA )) 3.600 1.600 1.600 peak 4518 spectrum 1 weight 0.10000E+01 volume 0.81664E-03 ppm1 1.361 ppm2 5.276 CV 1 ASSI { 4522} ( segid " " and resid 93 and name HD2%) (( segid " " and resid 95 and name HN )) 4.200 2.200 1.800 peak 4522 spectrum 1 weight 0.10000E+01 volume 0.69744E-03 ppm1 0.941 ppm2 8.926 CV 1 ASSI { 4528} (( segid " " and resid 138 and name HB3 )) (( segid " " and resid 138 and name HB2 )) 1.600 0.300 0.600 peak 4528 spectrum 1 weight 0.10000E+01 volume 0.10652E-01 ppm1 1.675 ppm2 1.776 CV 1 ASSI { 4529} (( segid " " and resid 138 and name HB3 )) (( segid " " and resid 139 and name HG )) 2.600 0.900 0.900 peak 4529 spectrum 1 weight 0.10000E+01 volume 0.20184E-02 ppm1 1.675 ppm2 1.459 CV 1 ASSI { 4530} (( segid " " and resid 138 and name HB3 )) ( segid " " and resid 138 and name HD2%) 2.600 0.800 0.800 peak 4530 spectrum 1 weight 0.10000E+01 volume 0.36027E-02 ppm1 1.675 ppm2 0.922 CV 1 ASSI { 4531} (( segid " " and resid 138 and name HB3 )) ( segid " " and resid 138 and name HD1%) 3.000 1.100 1.100 peak 4531 spectrum 1 weight 0.10000E+01 volume 0.47138E-02 ppm1 1.675 ppm2 0.792 CV 1 ASSI { 4532} (( segid " " and resid 138 and name HB3 )) (( segid " " and resid 135 and name HA )) 3.000 1.100 1.100 peak 4532 spectrum 1 weight 0.10000E+01 volume 0.14520E-02 ppm1 1.676 ppm2 3.340 CV 1 ASSI { 4534} (( segid " " and resid 138 and name HB3 )) (( segid " " and resid 139 and name HN )) 2.600 0.800 0.800 peak 4534 spectrum 1 weight 0.10000E+01 volume 0.20076E-02 ppm1 1.675 ppm2 7.913 CV 1 ASSI { 4539} (( segid " " and resid 115 and name HA )) (( segid " " and resid 91 and name HA )) 2.100 0.500 0.500 peak 4539 spectrum 1 weight 0.10000E+01 volume 0.32945E-02 ppm1 4.129 ppm2 5.256 CV 1 ASSI { 4544} ( segid " " and resid 138 and name HD2%) (( segid " " and resid 135 and name HA )) 3.800 1.800 1.800 peak 4544 spectrum 1 weight 0.10000E+01 volume 0.12816E-02 ppm1 0.922 ppm2 3.343 CV 1 ASSI { 4546} ( segid " " and resid 138 and name HD2%) (( segid " " and resid 138 and name HG )) 1.900 0.500 0.500 peak 4546 spectrum 1 weight 0.10000E+01 volume 0.23021E-01 ppm1 0.924 ppm2 1.679 CV 1 OR { 4546} ( segid " " and resid 138 and name HD2%) (( segid " " and resid 138 and name HB3 )) ASSI { 4547} ( segid " " and resid 138 and name HD2%) (( segid " " and resid 107 and name HG3 )) 2.600 0.800 0.800 peak 4547 spectrum 1 weight 0.10000E+01 volume 0.39550E-02 ppm1 0.924 ppm2 2.287 CV 1 ASSI { 4548} ( segid " " and resid 138 and name HD2%) (( segid " " and resid 107 and name HG2 )) 3.300 1.400 1.400 peak 4548 spectrum 1 weight 0.10000E+01 volume 0.48807E-02 ppm1 0.924 ppm2 2.433 CV 1 ASSI { 4550} ( segid " " and resid 138 and name HD2%) (( segid " " and resid 107 and name HA )) 2.500 0.800 0.800 peak 4550 spectrum 1 weight 0.10000E+01 volume 0.57312E-02 ppm1 0.924 ppm2 3.946 CV 1 ASSI { 4552} ( segid " " and resid 138 and name HD2%) (( segid " " and resid 138 and name HN )) 3.500 1.500 1.500 peak 4552 spectrum 1 weight 0.10000E+01 volume 0.34406E-02 ppm1 0.924 ppm2 7.506 CV 1 ASSI { 4553} ( segid " " and resid 138 and name HD2%) (( segid " " and resid 139 and name HN )) 4.100 2.100 1.900 peak 4553 spectrum 1 weight 0.10000E+01 volume 0.13847E-02 ppm1 0.922 ppm2 7.911 CV 1 ASSI { 4557} (( segid " " and resid 86 and name HD2 )) (( segid " " and resid 86 and name HN )) 4.400 2.400 1.600 peak 4557 spectrum 1 weight 0.10000E+01 volume 0.89410E-03 ppm1 1.435 ppm2 8.176 CV 1 ASSI { 4559} (( segid " " and resid 86 and name HE2 )) (( segid " " and resid 86 and name HN )) 4.100 2.100 1.900 peak 4559 spectrum 1 weight 0.10000E+01 volume 0.72424E-03 ppm1 3.022 ppm2 8.163 CV 1 ASSI { 4560} (( segid " " and resid 86 and name HD2 )) (( segid " " and resid 86 and name HD3 )) 1.800 0.400 0.400 peak 4560 spectrum 1 weight 0.10000E+01 volume 0.62052E-02 ppm1 1.435 ppm2 1.265 CV 1 ASSI { 4566} (( segid " " and resid 86 and name HE3 )) (( segid " " and resid 86 and name HA )) 4.900 2.900 1.100 peak 4566 spectrum 1 weight 0.10000E+01 volume 0.76538E-03 ppm1 2.941 ppm2 4.320 CV 1 ASSI { 4567} (( segid " " and resid 86 and name HE2 )) (( segid " " and resid 86 and name HA )) 4.600 2.600 1.400 peak 4567 spectrum 1 weight 0.10000E+01 volume 0.57498E-03 ppm1 3.022 ppm2 4.324 CV 1 ASSI { 4569} (( segid " " and resid 88 and name HA )) ( segid " " and resid 112 and name HD2%) 2.400 0.700 0.700 peak 4569 spectrum 1 weight 0.10000E+01 volume 0.53334E-02 ppm1 4.230 ppm2 0.844 CV 1 ASSI { 4572} (( segid " " and resid 88 and name HG2 )) (( segid " " and resid 88 and name HB2 )) 2.600 0.800 0.800 peak 4572 spectrum 1 weight 0.10000E+01 volume 0.23486E-02 ppm1 2.009 ppm2 2.453 CV 1 ASSI { 4574} (( segid " " and resid 89 and name HB3 )) (( segid " " and resid 89 and name HB2 )) 1.900 0.400 0.400 peak 4574 spectrum 1 weight 0.10000E+01 volume 0.84224E-02 ppm1 2.609 ppm2 2.800 CV 1 ASSI { 4577} (( segid " " and resid 90 and name HA )) ( segid " " and resid 90 and name HD2%) 2.900 1.000 1.000 peak 4577 spectrum 1 weight 0.10000E+01 volume 0.53870E-02 ppm1 3.979 ppm2 0.870 CV 1 ASSI { 4584} ( segid " " and resid 90 and name HD2%) ( segid " " and resid 37 and name HD2%) 2.800 2.800 3.200 peak 4584 spectrum 1 weight 0.10000E+01 volume 0.10116E-02 ppm1 0.867 ppm2 0.266 CV 1 OR { 4584} ( segid " " and resid 90 and name HD2%) ( segid " " and resid 37 and name HD1%) ASSI { 4585} (( segid " " and resid 91 and name HB2 )) (( segid " " and resid 116 and name HN )) 3.300 1.400 1.400 peak 4585 spectrum 1 weight 0.10000E+01 volume 0.63901E-03 ppm1 1.837 ppm2 9.016 CV 1 ASSI { 4586} (( segid " " and resid 91 and name HB3 )) (( segid " " and resid 116 and name HN )) 3.600 1.600 1.600 peak 4586 spectrum 1 weight 0.10000E+01 volume 0.63185E-03 ppm1 1.797 ppm2 9.014 CV 1 ASSI { 4590} (( segid " " and resid 91 and name HB2 )) (( segid " " and resid 141 and name HB2 )) 3.300 3.300 2.700 peak 4590 spectrum 1 weight 0.10000E+01 volume 0.27277E-02 ppm1 1.837 ppm2 2.233 CV 1 ASSI { 4591} (( segid " " and resid 91 and name HG2 )) (( segid " " and resid 91 and name HG3 )) 1.700 0.300 0.500 peak 4591 spectrum 1 weight 0.10000E+01 volume 0.10163E-01 ppm1 1.771 ppm2 1.429 CV 1 ASSI { 4595} (( segid " " and resid 132 and name HB3 )) ( segid " " and resid 145 and name HD1%) 3.100 1.200 1.200 peak 4595 spectrum 1 weight 0.10000E+01 volume 0.70696E-03 ppm1 1.596 ppm2 -0.081 CV 1 ASSI { 4598} (( segid " " and resid 65 and name HD2 )) (( segid " " and resid 43 and name HA )) 2.500 0.800 0.800 peak 4598 spectrum 1 weight 0.10000E+01 volume 0.36623E-02 ppm1 1.794 ppm2 4.556 CV 1 ASSI { 4599} (( segid " " and resid 137 and name HD3 )) (( segid " " and resid 137 and name HA )) 3.700 1.700 1.700 peak 4599 spectrum 1 weight 0.10000E+01 volume 0.23378E-02 ppm1 1.691 ppm2 4.061 CV 1 OR { 4599} (( segid " " and resid 137 and name HD2 )) (( segid " " and resid 137 and name HA )) ASSI { 4600} (( segid " " and resid 137 and name HD2 )) (( segid " " and resid 134 and name HA )) 3.000 1.100 1.100 peak 4600 spectrum 1 weight 0.10000E+01 volume 0.27277E-02 ppm1 1.690 ppm2 4.445 CV 1 OR { 4600} (( segid " " and resid 137 and name HD3 )) (( segid " " and resid 134 and name HA )) ASSI { 4601} (( segid " " and resid 90 and name HB2 )) (( segid " " and resid 87 and name HB2 )) 4.600 2.600 1.400 peak 4601 spectrum 1 weight 0.10000E+01 volume 0.89831E-03 ppm1 1.742 ppm2 3.078 CV 1 ASSI { 4610} (( segid " " and resid 91 and name HD3 )) (( segid " " and resid 91 and name HA )) 4.500 2.500 1.500 peak 4610 spectrum 1 weight 0.10000E+01 volume 0.66106E-03 ppm1 1.749 ppm2 5.251 CV 1 ASSI { 4611} ( segid " " and resid 95 and name HD1%) (( segid " " and resid 95 and name HB3 )) 2.600 0.800 0.800 peak 4611 spectrum 1 weight 0.10000E+01 volume 0.56626E-02 ppm1 0.751 ppm2 1.570 CV 1 ASSI { 4612} (( segid " " and resid 97 and name HA1 )) (( segid " " and resid 96 and name HA )) 4.900 3.000 1.100 peak 4612 spectrum 1 weight 0.10000E+01 volume 0.84224E-03 ppm1 4.090 ppm2 4.334 CV 1 ASSI { 4613} (( segid " " and resid 97 and name HA2 )) (( segid " " and resid 96 and name HA )) 5.000 3.100 1.000 peak 4613 spectrum 1 weight 0.10000E+01 volume 0.64257E-03 ppm1 3.799 ppm2 4.319 CV 1 ASSI { 4614} (( segid " " and resid 97 and name HA2 )) (( segid " " and resid 97 and name HA1 )) 1.900 0.500 0.500 peak 4614 spectrum 1 weight 0.10000E+01 volume 0.77791E-02 ppm1 3.799 ppm2 4.083 CV 1 ASSI { 4619} (( segid " " and resid 96 and name HB3 )) (( segid " " and resid 97 and name HN )) 4.400 2.400 1.600 peak 4619 spectrum 1 weight 0.10000E+01 volume 0.76834E-03 ppm1 3.818 ppm2 8.869 CV 1 ASSI { 4620} (( segid " " and resid 99 and name HG2 )) (( segid " " and resid 99 and name HG3 )) 1.600 0.300 0.600 peak 4620 spectrum 1 weight 0.10000E+01 volume 0.13674E-01 ppm1 1.444 ppm2 1.312 CV 1 ASSI { 4621} (( segid " " and resid 99 and name HG2 )) (( segid " " and resid 99 and name HB2 )) 2.500 0.800 0.800 peak 4621 spectrum 1 weight 0.10000E+01 volume 0.35056E-02 ppm1 1.443 ppm2 1.949 CV 1 ASSI { 4625} (( segid " " and resid 99 and name HG3 )) (( segid " " and resid 99 and name HB2 )) 2.800 0.900 0.900 peak 4625 spectrum 1 weight 0.10000E+01 volume 0.36027E-02 ppm1 1.315 ppm2 1.960 CV 1 ASSI { 4628} (( segid " " and resid 99 and name HG2 )) (( segid " " and resid 99 and name HE2 )) 3.300 1.400 1.400 peak 4628 spectrum 1 weight 0.10000E+01 volume 0.17936E-02 ppm1 1.443 ppm2 2.974 CV 1 OR { 4628} (( segid " " and resid 99 and name HG2 )) (( segid " " and resid 99 and name HE3 )) ASSI { 4629} (( segid " " and resid 99 and name HG3 )) (( segid " " and resid 99 and name HE2 )) 2.700 0.900 0.900 peak 4629 spectrum 1 weight 0.10000E+01 volume 0.43830E-02 ppm1 1.315 ppm2 2.974 CV 1 OR { 4629} (( segid " " and resid 99 and name HG3 )) (( segid " " and resid 99 and name HE3 )) ASSI { 4630} (( segid " " and resid 99 and name HG2 )) (( segid " " and resid 99 and name HA )) 2.800 1.000 1.000 peak 4630 spectrum 1 weight 0.10000E+01 volume 0.31682E-02 ppm1 1.443 ppm2 4.683 CV 1 ASSI { 4631} (( segid " " and resid 99 and name HG3 )) (( segid " " and resid 99 and name HA )) 2.800 1.000 1.000 peak 4631 spectrum 1 weight 0.10000E+01 volume 0.38739E-02 ppm1 1.315 ppm2 4.674 CV 1 ASSI { 4632} (( segid " " and resid 99 and name HG2 )) (( segid " " and resid 77 and name HB3 )) 3.900 1.900 1.900 peak 4632 spectrum 1 weight 0.10000E+01 volume 0.56891E-03 ppm1 1.443 ppm2 3.669 CV 1 ASSI { 4633} (( segid " " and resid 99 and name HG3 )) (( segid " " and resid 77 and name HB3 )) 3.900 1.900 1.900 peak 4633 spectrum 1 weight 0.10000E+01 volume 0.59382E-03 ppm1 1.315 ppm2 3.669 CV 1 ASSI { 4634} (( segid " " and resid 99 and name HD3 )) (( segid " " and resid 99 and name HA )) 2.300 0.700 0.700 peak 4634 spectrum 1 weight 0.10000E+01 volume 0.76834E-02 ppm1 1.644 ppm2 4.674 CV 1 OR { 4634} (( segid " " and resid 99 and name HD2 )) (( segid " " and resid 99 and name HA )) ASSI { 4635} (( segid " " and resid 99 and name HD3 )) (( segid " " and resid 99 and name HE3 )) 2.200 0.600 0.600 peak 4635 spectrum 1 weight 0.10000E+01 volume 0.13072E-01 ppm1 1.644 ppm2 2.974 CV 1 OR { 4635} (( segid " " and resid 99 and name HD3 )) (( segid " " and resid 99 and name HE2 )) OR { 4635} (( segid " " and resid 99 and name HD2 )) (( segid " " and resid 99 and name HE3 )) OR { 4635} (( segid " " and resid 99 and name HD2 )) (( segid " " and resid 99 and name HE2 )) ASSI { 4636} (( segid " " and resid 99 and name HD3 )) (( segid " " and resid 99 and name HB2 )) 3.100 1.200 1.200 peak 4636 spectrum 1 weight 0.10000E+01 volume 0.28964E-02 ppm1 1.644 ppm2 1.969 CV 1 OR { 4636} (( segid " " and resid 99 and name HD2 )) (( segid " " and resid 99 and name HB2 )) ASSI { 4637} (( segid " " and resid 99 and name HD2 )) (( segid " " and resid 99 and name HG2 )) 2.000 0.500 0.500 peak 4637 spectrum 1 weight 0.10000E+01 volume 0.20046E-01 ppm1 1.644 ppm2 1.437 CV 1 OR { 4637} (( segid " " and resid 99 and name HD3 )) (( segid " " and resid 99 and name HG2 )) ASSI { 4639} (( segid " " and resid 100 and name HA )) (( segid " " and resid 77 and name HA )) 3.500 1.600 1.600 peak 4639 spectrum 1 weight 0.10000E+01 volume 0.88458E-03 ppm1 4.191 ppm2 4.984 CV 1 ASSI { 4642} (( segid " " and resid 100 and name HA )) (( segid " " and resid 100 and name HG13)) 3.800 1.800 1.800 peak 4642 spectrum 1 weight 0.10000E+01 volume 0.15075E-02 ppm1 4.191 ppm2 1.274 CV 1 ASSI { 4651} (( segid " " and resid 100 and name HA )) (( segid " " and resid 102 and name HN )) 3.400 1.400 1.400 peak 4651 spectrum 1 weight 0.10000E+01 volume 0.18342E-02 ppm1 4.191 ppm2 7.361 CV 1 ASSI { 4652} (( segid " " and resid 100 and name HA )) (( segid " " and resid 101 and name HN )) 2.000 0.500 0.500 peak 4652 spectrum 1 weight 0.10000E+01 volume 0.79339E-02 ppm1 4.191 ppm2 8.943 CV 1 ASSI { 4653} (( segid " " and resid 99 and name HD3 )) (( segid " " and resid 100 and name HN )) 4.200 2.200 1.800 peak 4653 spectrum 1 weight 0.10000E+01 volume 0.70395E-03 ppm1 1.645 ppm2 6.613 CV 1 OR { 4653} (( segid " " and resid 99 and name HD2 )) (( segid " " and resid 100 and name HN )) ASSI { 4654} (( segid " " and resid 99 and name HD3 )) (( segid " " and resid 99 and name HN )) 3.900 1.900 1.900 peak 4654 spectrum 1 weight 0.10000E+01 volume 0.96982E-03 ppm1 1.644 ppm2 7.908 CV 1 OR { 4654} (( segid " " and resid 99 and name HD2 )) (( segid " " and resid 99 and name HN )) ASSI { 4655} (( segid " " and resid 100 and name HB )) (( segid " " and resid 125 and name HN )) 3.400 1.500 1.500 peak 4655 spectrum 1 weight 0.10000E+01 volume 0.61752E-03 ppm1 2.065 ppm2 8.160 CV 1 ASSI { 4656} (( segid " " and resid 99 and name HG3 )) (( segid " " and resid 99 and name HN )) 4.100 2.100 1.900 peak 4656 spectrum 1 weight 0.10000E+01 volume 0.12434E-02 ppm1 1.315 ppm2 7.908 CV 1 ASSI { 4658} (( segid " " and resid 99 and name HG2 )) (( segid " " and resid 99 and name HN )) 4.100 2.200 1.900 peak 4658 spectrum 1 weight 0.10000E+01 volume 0.92512E-03 ppm1 1.443 ppm2 7.908 CV 1 ASSI { 4659} ( segid " " and resid 100 and name HG2%) (( segid " " and resid 106 and name HN )) 3.900 1.900 1.900 peak 4659 spectrum 1 weight 0.10000E+01 volume 0.72900E-03 ppm1 0.777 ppm2 7.143 CV 1 ASSI { 4660} (( segid " " and resid 101 and name HG2 )) (( segid " " and resid 101 and name HA )) 3.400 1.400 1.400 peak 4660 spectrum 1 weight 0.10000E+01 volume 0.13412E-02 ppm1 1.364 ppm2 4.204 CV 1 ASSI { 4661} (( segid " " and resid 101 and name HG3 )) (( segid " " and resid 101 and name HA )) 3.100 1.200 1.200 peak 4661 spectrum 1 weight 0.10000E+01 volume 0.16714E-02 ppm1 1.326 ppm2 4.204 CV 1 ASSI { 4662} (( segid " " and resid 101 and name HG3 )) (( segid " " and resid 101 and name HE3 )) 2.800 1.000 1.000 peak 4662 spectrum 1 weight 0.10000E+01 volume 0.39717E-02 ppm1 1.327 ppm2 2.982 CV 1 OR { 4662} (( segid " " and resid 101 and name HG3 )) (( segid " " and resid 101 and name HE2 )) ASSI { 4663} (( segid " " and resid 101 and name HG2 )) (( segid " " and resid 101 and name HE3 )) 3.100 1.200 1.200 peak 4663 spectrum 1 weight 0.10000E+01 volume 0.30919E-02 ppm1 1.364 ppm2 2.982 CV 1 OR { 4663} (( segid " " and resid 101 and name HG2 )) (( segid " " and resid 101 and name HE2 )) ASSI { 4670} (( segid " " and resid 101 and name HG3 )) (( segid " " and resid 102 and name HN )) 4.500 2.500 1.500 peak 4670 spectrum 1 weight 0.10000E+01 volume 0.64257E-03 ppm1 1.326 ppm2 7.350 CV 1 ASSI { 4672} (( segid " " and resid 101 and name HG2 )) (( segid " " and resid 102 and name HN )) 4.000 2.000 2.000 peak 4672 spectrum 1 weight 0.10000E+01 volume 0.62709E-03 ppm1 1.364 ppm2 7.350 CV 1 ASSI { 4673} (( segid " " and resid 101 and name HG2 )) (( segid " " and resid 101 and name HN )) 4.100 2.100 1.900 peak 4673 spectrum 1 weight 0.10000E+01 volume 0.11147E-02 ppm1 1.364 ppm2 8.931 CV 1 ASSI { 4674} (( segid " " and resid 101 and name HG3 )) (( segid " " and resid 101 and name HN )) 3.700 1.700 1.700 peak 4674 spectrum 1 weight 0.10000E+01 volume 0.13543E-02 ppm1 1.326 ppm2 8.931 CV 1 ASSI { 4675} (( segid " " and resid 101 and name HD2 )) (( segid " " and resid 101 and name HN )) 4.600 2.600 1.400 peak 4675 spectrum 1 weight 0.10000E+01 volume 0.83989E-03 ppm1 1.665 ppm2 8.939 CV 1 OR { 4675} (( segid " " and resid 101 and name HD3 )) (( segid " " and resid 101 and name HN )) ASSI { 4679} (( segid " " and resid 102 and name HB2 )) (( segid " " and resid 102 and name HB3 )) 1.700 0.300 0.500 peak 4679 spectrum 1 weight 0.10000E+01 volume 0.18836E-01 ppm1 2.937 ppm2 2.763 CV 1 ASSI { 4681} (( segid " " and resid 103 and name HB2 )) (( segid " " and resid 102 and name HA )) 5.000 3.100 1.000 peak 4681 spectrum 1 weight 0.10000E+01 volume 0.57498E-03 ppm1 1.715 ppm2 4.869 CV 1 ASSI { 4688} (( segid " " and resid 105 and name HA )) (( segid " " and resid 106 and name HN )) 3.600 1.600 1.600 peak 4688 spectrum 1 weight 0.10000E+01 volume 0.75761E-03 ppm1 4.020 ppm2 7.128 CV 1 ASSI { 4693} (( segid " " and resid 105 and name HB )) (( segid " " and resid 102 and name HN )) 3.200 1.300 1.300 peak 4693 spectrum 1 weight 0.10000E+01 volume 0.12488E-02 ppm1 4.253 ppm2 7.354 CV 1 ASSI { 4695} (( segid " " and resid 106 and name HG12)) (( segid " " and resid 106 and name HG13)) 1.500 0.300 0.700 peak 4695 spectrum 1 weight 0.10000E+01 volume 0.13436E-01 ppm1 1.513 ppm2 1.248 CV 1 ASSI { 4698} (( segid " " and resid 106 and name HG12)) (( segid " " and resid 103 and name HA )) 2.100 0.500 0.500 peak 4698 spectrum 1 weight 0.10000E+01 volume 0.47889E-02 ppm1 1.513 ppm2 3.968 CV 1 ASSI { 4700} (( segid " " and resid 106 and name HG12)) (( segid " " and resid 106 and name HN )) 2.000 0.500 0.500 peak 4700 spectrum 1 weight 0.10000E+01 volume 0.40092E-02 ppm1 1.513 ppm2 7.133 CV 1 ASSI { 4704} (( segid " " and resid 112 and name HG )) (( segid " " and resid 112 and name HA )) 3.100 1.200 1.200 peak 4704 spectrum 1 weight 0.10000E+01 volume 0.17119E-02 ppm1 1.503 ppm2 4.604 CV 1 ASSI { 4705} (( segid " " and resid 112 and name HG )) (( segid " " and resid 112 and name HN )) 2.600 0.900 0.900 peak 4705 spectrum 1 weight 0.10000E+01 volume 0.33863E-02 ppm1 1.503 ppm2 7.189 CV 1 ASSI { 4706} ( segid " " and resid 106 and name HG2%) (( segid " " and resid 106 and name HN )) 2.700 0.900 0.900 peak 4706 spectrum 1 weight 0.10000E+01 volume 0.32605E-02 ppm1 0.777 ppm2 7.132 CV 1 ASSI { 4707} ( segid " " and resid 106 and name HG2%) (( segid " " and resid 107 and name HN )) 4.100 2.100 1.900 peak 4707 spectrum 1 weight 0.10000E+01 volume 0.11349E-02 ppm1 0.777 ppm2 7.491 CV 1 ASSI { 4708} ( segid " " and resid 106 and name HG2%) (( segid " " and resid 109 and name HN )) 4.900 3.000 1.100 peak 4708 spectrum 1 weight 0.10000E+01 volume 0.57222E-03 ppm1 0.777 ppm2 8.111 CV 1 ASSI { 4709} (( segid " " and resid 106 and name HG13)) (( segid " " and resid 103 and name HA )) 3.000 1.100 1.100 peak 4709 spectrum 1 weight 0.10000E+01 volume 0.30877E-02 ppm1 1.244 ppm2 3.968 CV 1 ASSI { 4712} (( segid " " and resid 106 and name HG13)) ( segid " " and resid 106 and name HD1%) 2.200 0.600 0.600 peak 4712 spectrum 1 weight 0.10000E+01 volume 0.10378E-01 ppm1 1.244 ppm2 0.760 CV 1 OR { 4712} (( segid " " and resid 106 and name HG13)) ( segid " " and resid 106 and name HG2%) ASSI { 4720} (( segid " " and resid 109 and name HA )) (( segid " " and resid 110 and name HN )) 3.100 1.200 1.200 peak 4720 spectrum 1 weight 0.10000E+01 volume 0.13734E-02 ppm1 3.983 ppm2 8.316 CV 1 ASSI { 4729} (( segid " " and resid 109 and name HG )) (( segid " " and resid 106 and name HA )) 3.100 1.200 1.200 peak 4729 spectrum 1 weight 0.10000E+01 volume 0.80827E-03 ppm1 1.730 ppm2 4.317 CV 1 ASSI { 4731} (( segid " " and resid 109 and name HG )) (( segid " " and resid 109 and name HA )) 3.300 1.400 1.400 peak 4731 spectrum 1 weight 0.10000E+01 volume 0.15552E-02 ppm1 1.730 ppm2 3.976 CV 1 ASSI { 4736} ( segid " " and resid 109 and name HD1%) (( segid " " and resid 110 and name HN )) 4.600 2.700 1.400 peak 4736 spectrum 1 weight 0.10000E+01 volume 0.84405E-03 ppm1 0.803 ppm2 8.326 CV 1 ASSI { 4737} ( segid " " and resid 109 and name HD1%) (( segid " " and resid 109 and name HN )) 3.800 1.800 1.800 peak 4737 spectrum 1 weight 0.10000E+01 volume 0.28349E-02 ppm1 0.803 ppm2 8.103 CV 1 ASSI { 4738} ( segid " " and resid 109 and name HD1%) (( segid " " and resid 109 and name HA )) 3.800 1.800 1.800 peak 4738 spectrum 1 weight 0.10000E+01 volume 0.26663E-02 ppm1 0.803 ppm2 3.975 CV 1 ASSI { 4739} ( segid " " and resid 109 and name HD1%) (( segid " " and resid 106 and name HA )) 3.500 1.600 1.600 peak 4739 spectrum 1 weight 0.10000E+01 volume 0.18747E-02 ppm1 0.803 ppm2 4.324 CV 1 ASSI { 4742} ( segid " " and resid 83 and name HD1%) (( segid " " and resid 83 and name HG )) 2.100 0.600 0.600 peak 4742 spectrum 1 weight 0.10000E+01 volume 0.97458E-02 ppm1 0.792 ppm2 1.577 CV 1 ASSI { 4748} ( segid " " and resid 109 and name HD2%) (( segid " " and resid 109 and name HN )) 3.300 1.400 1.400 peak 4748 spectrum 1 weight 0.10000E+01 volume 0.26394E-02 ppm1 0.732 ppm2 8.107 CV 1 ASSI { 4749} ( segid " " and resid 109 and name HD1%) (( segid " " and resid 109 and name HB3 )) 2.200 0.600 0.600 peak 4749 spectrum 1 weight 0.10000E+01 volume 0.84405E-02 ppm1 0.803 ppm2 1.358 CV 1 ASSI { 4750} ( segid " " and resid 109 and name HD1%) (( segid " " and resid 109 and name HG )) 2.100 0.500 0.500 peak 4750 spectrum 1 weight 0.10000E+01 volume 0.97758E-02 ppm1 0.803 ppm2 1.720 CV 1 ASSI { 4752} (( segid " " and resid 110 and name HA )) (( segid " " and resid 139 and name HA )) 3.600 1.600 1.600 peak 4752 spectrum 1 weight 0.10000E+01 volume 0.10282E-02 ppm1 3.924 ppm2 4.883 CV 1 ASSI { 4753} (( segid " " and resid 110 and name HA )) (( segid " " and resid 141 and name HE22)) 2.300 0.700 0.700 peak 4753 spectrum 1 weight 0.10000E+01 volume 0.44593E-02 ppm1 3.924 ppm2 6.027 CV 1 ASSI { 4754} (( segid " " and resid 110 and name HA )) (( segid " " and resid 111 and name HN )) 3.100 1.200 1.200 peak 4754 spectrum 1 weight 0.10000E+01 volume 0.14366E-02 ppm1 3.924 ppm2 6.981 CV 1 ASSI { 4755} (( segid " " and resid 110 and name HA )) (( segid " " and resid 112 and name HN )) 3.200 1.300 1.300 peak 4755 spectrum 1 weight 0.10000E+01 volume 0.12989E-02 ppm1 3.924 ppm2 7.187 CV 1 ASSI { 4756} (( segid " " and resid 110 and name HA )) (( segid " " and resid 141 and name HE21)) 3.300 1.400 1.400 peak 4756 spectrum 1 weight 0.10000E+01 volume 0.21048E-02 ppm1 3.924 ppm2 7.629 CV 1 ASSI { 4758} (( segid " " and resid 110 and name HA )) ( segid " " and resid 139 and name HD2%) 2.200 0.600 0.600 peak 4758 spectrum 1 weight 0.10000E+01 volume 0.70876E-02 ppm1 3.924 ppm2 0.736 CV 1 ASSI { 4759} (( segid " " and resid 110 and name HA )) (( segid " " and resid 110 and name HG3 )) 3.500 1.600 1.600 peak 4759 spectrum 1 weight 0.10000E+01 volume 0.18663E-02 ppm1 3.924 ppm2 1.526 CV 1 ASSI { 4760} (( segid " " and resid 110 and name HA )) (( segid " " and resid 110 and name HG2 )) 3.500 1.600 1.600 peak 4760 spectrum 1 weight 0.10000E+01 volume 0.24594E-02 ppm1 3.924 ppm2 1.730 CV 1 OR { 4760} (( segid " " and resid 110 and name HA )) (( segid " " and resid 110 and name HD3 )) ASSI { 4761} (( segid " " and resid 110 and name HA )) (( segid " " and resid 110 and name HB3 )) 2.200 0.600 0.600 peak 4761 spectrum 1 weight 0.10000E+01 volume 0.65570E-02 ppm1 3.924 ppm2 1.957 CV 1 ASSI { 4762} (( segid " " and resid 110 and name HG2 )) (( segid " " and resid 111 and name HN )) 2.900 1.100 1.100 peak 4762 spectrum 1 weight 0.10000E+01 volume 0.76237E-03 ppm1 1.727 ppm2 6.978 CV 1 ASSI { 4763} (( segid " " and resid 110 and name HG3 )) (( segid " " and resid 111 and name HN )) 2.900 1.100 1.100 peak 4763 spectrum 1 weight 0.10000E+01 volume 0.12315E-02 ppm1 1.529 ppm2 6.971 CV 1 ASSI { 4764} (( segid " " and resid 110 and name HB2 )) ( segid " " and resid 139 and name HD2%) 3.400 1.500 1.500 peak 4764 spectrum 1 weight 0.10000E+01 volume 0.25017E-02 ppm1 1.999 ppm2 0.741 CV 1 ASSI { 4767} (( segid " " and resid 110 and name HG2 )) (( segid " " and resid 110 and name HE2 )) 3.400 1.400 1.400 peak 4767 spectrum 1 weight 0.10000E+01 volume 0.26782E-02 ppm1 1.726 ppm2 3.024 CV 1 OR { 4767} (( segid " " and resid 110 and name HG2 )) (( segid " " and resid 110 and name HE3 )) ASSI { 4768} (( segid " " and resid 110 and name HG3 )) (( segid " " and resid 110 and name HE2 )) 2.700 0.900 0.900 peak 4768 spectrum 1 weight 0.10000E+01 volume 0.46434E-02 ppm1 1.525 ppm2 3.024 CV 1 OR { 4768} (( segid " " and resid 110 and name HG3 )) (( segid " " and resid 110 and name HE3 )) ASSI { 4769} (( segid " " and resid 110 and name HG2 )) (( segid " " and resid 110 and name HB2 )) 2.800 1.000 1.000 peak 4769 spectrum 1 weight 0.10000E+01 volume 0.42805E-02 ppm1 1.726 ppm2 1.980 CV 1 ASSI { 4770} (( segid " " and resid 110 and name HD2 )) (( segid " " and resid 110 and name HE3 )) 2.300 0.700 0.700 peak 4770 spectrum 1 weight 0.10000E+01 volume 0.59457E-02 ppm1 1.837 ppm2 3.032 CV 1 OR { 4770} (( segid " " and resid 110 and name HD2 )) (( segid " " and resid 110 and name HE2 )) ASSI { 4771} (( segid " " and resid 110 and name HD2 )) (( segid " " and resid 107 and name HG2 )) 3.000 1.100 1.100 peak 4771 spectrum 1 weight 0.10000E+01 volume 0.79575E-03 ppm1 1.837 ppm2 2.421 CV 1 ASSI { 4772} (( segid " " and resid 110 and name HD3 )) (( segid " " and resid 107 and name HG2 )) 3.600 1.700 1.700 peak 4772 spectrum 1 weight 0.10000E+01 volume 0.80532E-03 ppm1 1.755 ppm2 2.421 CV 1 ASSI { 4774} (( segid " " and resid 110 and name HG2 )) (( segid " " and resid 110 and name HG3 )) 1.500 0.300 0.700 peak 4774 spectrum 1 weight 0.10000E+01 volume 0.15802E-01 ppm1 1.726 ppm2 1.526 CV 1 ASSI { 4775} (( segid " " and resid 110 and name HB2 )) (( segid " " and resid 110 and name HG2 )) 2.700 0.900 0.900 peak 4775 spectrum 1 weight 0.10000E+01 volume 0.60143E-02 ppm1 1.999 ppm2 1.730 CV 1 OR { 4775} (( segid " " and resid 110 and name HB2 )) (( segid " " and resid 110 and name HD3 )) ASSI { 4776} (( segid " " and resid 110 and name HB2 )) (( segid " " and resid 110 and name HG3 )) 2.300 0.600 0.600 peak 4776 spectrum 1 weight 0.10000E+01 volume 0.44593E-02 ppm1 1.999 ppm2 1.526 CV 1 ASSI { 4779} (( segid " " and resid 110 and name HE3 )) ( segid " " and resid 138 and name HD2%) 3.100 1.200 1.200 peak 4779 spectrum 1 weight 0.10000E+01 volume 0.34894E-02 ppm1 3.025 ppm2 0.926 CV 1 OR { 4779} (( segid " " and resid 110 and name HE2 )) ( segid " " and resid 138 and name HD2%) ASSI { 4780} (( segid " " and resid 110 and name HE2 )) ( segid " " and resid 139 and name HD2%) 3.800 1.800 1.800 peak 4780 spectrum 1 weight 0.10000E+01 volume 0.17584E-02 ppm1 3.025 ppm2 0.755 CV 1 OR { 4780} (( segid " " and resid 110 and name HE3 )) ( segid " " and resid 139 and name HD2%) ASSI { 4783} (( segid " " and resid 110 and name HE2 )) (( segid " " and resid 110 and name HN )) 4.800 2.900 1.200 peak 4783 spectrum 1 weight 0.10000E+01 volume 0.83152E-03 ppm1 3.025 ppm2 8.321 CV 1 OR { 4783} (( segid " " and resid 110 and name HE3 )) (( segid " " and resid 110 and name HN )) ASSI { 4786} (( segid " " and resid 111 and name HB3 )) (( segid " " and resid 112 and name HN )) 4.000 2.000 2.000 peak 4786 spectrum 1 weight 0.10000E+01 volume 0.85477E-03 ppm1 1.619 ppm2 7.199 CV 1 ASSI { 4788} (( segid " " and resid 116 and name HD2 )) (( segid " " and resid 116 and name HA )) 3.300 1.400 1.400 peak 4788 spectrum 1 weight 0.10000E+01 volume 0.29995E-02 ppm1 1.703 ppm2 4.825 CV 1 OR { 4788} (( segid " " and resid 116 and name HD3 )) (( segid " " and resid 116 and name HA )) ASSI { 4789} (( segid " " and resid 112 and name HB2 )) (( segid " " and resid 112 and name HB3 )) 1.900 0.400 0.400 peak 4789 spectrum 1 weight 0.10000E+01 volume 0.42584E-02 ppm1 2.022 ppm2 1.768 CV 1 ASSI { 4790} (( segid " " and resid 112 and name HB2 )) (( segid " " and resid 112 and name HG )) 2.700 0.900 0.900 peak 4790 spectrum 1 weight 0.10000E+01 volume 0.16494E-02 ppm1 2.022 ppm2 1.507 CV 1 ASSI { 4795} (( segid " " and resid 112 and name HB3 )) (( segid " " and resid 112 and name HG )) 3.300 1.300 1.300 peak 4795 spectrum 1 weight 0.10000E+01 volume 0.14675E-02 ppm1 1.766 ppm2 1.509 CV 1 ASSI { 4797} (( segid " " and resid 112 and name HB3 )) ( segid " " and resid 112 and name HD1%) 2.800 1.000 1.000 peak 4797 spectrum 1 weight 0.10000E+01 volume 0.22186E-02 ppm1 1.766 ppm2 0.942 CV 1 ASSI { 4800} ( segid " " and resid 112 and name HD1%) (( segid " " and resid 83 and name HB3 )) 2.700 0.900 0.900 peak 4800 spectrum 1 weight 0.10000E+01 volume 0.22103E-02 ppm1 0.947 ppm2 1.231 CV 1 ASSI { 4803} ( segid " " and resid 112 and name HD1%) (( segid " " and resid 83 and name HB2 )) 2.800 1.000 1.000 peak 4803 spectrum 1 weight 0.10000E+01 volume 0.33482E-02 ppm1 0.947 ppm2 1.898 CV 1 ASSI { 4804} ( segid " " and resid 112 and name HD1%) (( segid " " and resid 112 and name HB2 )) 2.400 0.700 0.700 peak 4804 spectrum 1 weight 0.10000E+01 volume 0.64613E-02 ppm1 0.947 ppm2 2.016 CV 1 ASSI { 4806} ( segid " " and resid 112 and name HD1%) (( segid " " and resid 109 and name HA )) 2.600 0.900 0.900 peak 4806 spectrum 1 weight 0.10000E+01 volume 0.49421E-02 ppm1 0.947 ppm2 3.974 CV 1 ASSI { 4807} ( segid " " and resid 112 and name HD1%) (( segid " " and resid 112 and name HA )) 4.100 2.100 1.900 peak 4807 spectrum 1 weight 0.10000E+01 volume 0.16875E-02 ppm1 0.947 ppm2 4.598 CV 1 ASSI { 4808} ( segid " " and resid 112 and name HD1%) (( segid " " and resid 84 and name HA )) 3.000 1.100 1.100 peak 4808 spectrum 1 weight 0.10000E+01 volume 0.35866E-02 ppm1 0.947 ppm2 3.912 CV 1 ASSI { 4818} ( segid " " and resid 112 and name HD1%) (( segid " " and resid 84 and name HN )) 3.700 1.800 1.800 peak 4818 spectrum 1 weight 0.10000E+01 volume 0.96150E-03 ppm1 0.947 ppm2 7.380 CV 1 ASSI { 4824} (( segid " " and resid 113 and name HA )) (( segid " " and resid 112 and name HA )) 4.200 2.200 1.800 peak 4824 spectrum 1 weight 0.10000E+01 volume 0.81484E-03 ppm1 3.862 ppm2 4.612 CV 1 ASSI { 4825} (( segid " " and resid 113 and name HA )) (( segid " " and resid 141 and name HE22)) 3.700 1.700 1.700 peak 4825 spectrum 1 weight 0.10000E+01 volume 0.74333E-03 ppm1 3.862 ppm2 6.013 CV 1 ASSI { 4827} (( segid " " and resid 113 and name HA )) (( segid " " and resid 141 and name HE21)) 3.100 1.200 1.200 peak 4827 spectrum 1 weight 0.10000E+01 volume 0.10997E-02 ppm1 3.862 ppm2 7.633 CV 1 ASSI { 4831} ( segid " " and resid 112 and name HD2%) (( segid " " and resid 115 and name HN )) 3.700 1.700 1.700 peak 4831 spectrum 1 weight 0.10000E+01 volume 0.11594E-02 ppm1 0.845 ppm2 7.004 CV 1 ASSI { 4832} ( segid " " and resid 112 and name HD1%) (( segid " " and resid 115 and name HN )) 4.000 2.000 2.000 peak 4832 spectrum 1 weight 0.10000E+01 volume 0.96445E-03 ppm1 0.947 ppm2 6.999 CV 1 ASSI { 4833} (( segid " " and resid 113 and name HB2 )) (( segid " " and resid 114 and name HN )) 4.200 2.200 1.800 peak 4833 spectrum 1 weight 0.10000E+01 volume 0.73256E-03 ppm1 2.053 ppm2 9.019 CV 1 ASSI { 4834} (( segid " " and resid 113 and name HA )) (( segid " " and resid 141 and name HG3 )) 3.100 1.200 1.200 peak 4834 spectrum 1 weight 0.10000E+01 volume 0.18097E-02 ppm1 3.862 ppm2 2.672 CV 1 ASSI { 4838} (( segid " " and resid 113 and name HA )) (( segid " " and resid 113 and name HB2 )) 2.400 0.700 0.700 peak 4838 spectrum 1 weight 0.10000E+01 volume 0.62769E-02 ppm1 3.862 ppm2 2.059 CV 1 ASSI { 4840} ( segid " " and resid 112 and name HD2%) (( segid " " and resid 83 and name HB3 )) 2.600 2.600 3.400 peak 4840 spectrum 1 weight 0.10000E+01 volume 0.16183E-02 ppm1 0.845 ppm2 1.213 CV 1 ASSI { 4842} ( segid " " and resid 112 and name HD2%) (( segid " " and resid 112 and name HG )) 2.000 0.500 0.500 peak 4842 spectrum 1 weight 0.10000E+01 volume 0.12047E-01 ppm1 0.845 ppm2 1.512 CV 1 ASSI { 4843} ( segid " " and resid 112 and name HD2%) (( segid " " and resid 112 and name HB3 )) 2.300 0.700 0.700 peak 4843 spectrum 1 weight 0.10000E+01 volume 0.73912E-02 ppm1 0.845 ppm2 1.758 CV 1 ASSI { 4844} ( segid " " and resid 112 and name HD2%) (( segid " " and resid 112 and name HB2 )) 3.200 1.300 1.300 peak 4844 spectrum 1 weight 0.10000E+01 volume 0.38739E-02 ppm1 0.845 ppm2 2.011 CV 1 ASSI { 4846} ( segid " " and resid 112 and name HD2%) (( segid " " and resid 88 and name HB2 )) 4.300 2.300 1.700 peak 4846 spectrum 1 weight 0.10000E+01 volume 0.90187E-03 ppm1 0.845 ppm2 2.459 CV 1 ASSI { 4847} ( segid " " and resid 112 and name HD2%) (( segid " " and resid 87 and name HB2 )) 3.500 1.500 1.500 peak 4847 spectrum 1 weight 0.10000E+01 volume 0.73737E-03 ppm1 0.845 ppm2 3.077 CV 1 ASSI { 4848} ( segid " " and resid 112 and name HD2%) (( segid " " and resid 84 and name HA )) 2.100 0.500 0.500 peak 4848 spectrum 1 weight 0.10000E+01 volume 0.10926E-01 ppm1 0.845 ppm2 3.905 CV 1 ASSI { 4850} ( segid " " and resid 112 and name HD2%) (( segid " " and resid 112 and name HA )) 2.100 0.500 0.500 peak 4850 spectrum 1 weight 0.10000E+01 volume 0.94837E-02 ppm1 0.845 ppm2 4.606 CV 1 ASSI { 4852} (( segid " " and resid 113 and name HB2 )) (( segid " " and resid 113 and name HB3 )) 1.600 0.300 0.600 peak 4852 spectrum 1 weight 0.10000E+01 volume 0.22681E-01 ppm1 2.053 ppm2 1.943 CV 1 ASSI { 4855} (( segid " " and resid 113 and name HB3 )) (( segid " " and resid 113 and name HG3 )) 2.800 1.000 1.000 peak 4855 spectrum 1 weight 0.10000E+01 volume 0.62588E-02 ppm1 1.937 ppm2 2.255 CV 1 ASSI { 4856} (( segid " " and resid 113 and name HB3 )) (( segid " " and resid 113 and name HG2 )) 2.600 0.900 0.900 peak 4856 spectrum 1 weight 0.10000E+01 volume 0.36843E-02 ppm1 1.937 ppm2 2.360 CV 1 ASSI { 4857} (( segid " " and resid 113 and name HB2 )) (( segid " " and resid 113 and name HG3 )) 2.400 0.700 0.700 peak 4857 spectrum 1 weight 0.10000E+01 volume 0.51720E-02 ppm1 2.053 ppm2 2.259 CV 1 ASSI { 4859} (( segid " " and resid 113 and name HB3 )) (( segid " " and resid 112 and name HA )) 4.500 2.600 1.500 peak 4859 spectrum 1 weight 0.10000E+01 volume 0.86134E-03 ppm1 1.938 ppm2 4.612 CV 1 ASSI { 4860} (( segid " " and resid 113 and name HG2 )) (( segid " " and resid 112 and name HA )) 4.700 2.700 1.300 peak 4860 spectrum 1 weight 0.10000E+01 volume 0.59382E-03 ppm1 2.359 ppm2 4.598 CV 1 ASSI { 4861} (( segid " " and resid 113 and name HG3 )) (( segid " " and resid 112 and name HA )) 5.000 3.200 1.000 peak 4861 spectrum 1 weight 0.10000E+01 volume 0.69147E-03 ppm1 2.257 ppm2 4.598 CV 1 ASSI { 4863} (( segid " " and resid 113 and name HG2 )) (( segid " " and resid 113 and name HB2 )) 2.800 1.000 1.000 peak 4863 spectrum 1 weight 0.10000E+01 volume 0.63781E-02 ppm1 2.359 ppm2 2.052 CV 1 ASSI { 4864} (( segid " " and resid 113 and name HG2 )) (( segid " " and resid 113 and name HG3 )) 1.500 0.300 0.700 peak 4864 spectrum 1 weight 0.10000E+01 volume 0.33720E-01 ppm1 2.359 ppm2 2.255 CV 1 ASSI { 4868} (( segid " " and resid 114 and name HB2 )) (( segid " " and resid 114 and name HB3 )) 1.600 0.300 0.600 peak 4868 spectrum 1 weight 0.10000E+01 volume 0.18401E-01 ppm1 2.840 ppm2 2.511 CV 1 ASSI { 4870} (( segid " " and resid 114 and name HB2 )) (( segid " " and resid 91 and name HG3 )) 3.800 1.800 1.800 peak 4870 spectrum 1 weight 0.10000E+01 volume 0.14252E-02 ppm1 2.840 ppm2 1.417 CV 1 ASSI { 4874} (( segid " " and resid 114 and name HB2 )) (( segid " " and resid 114 and name HD21)) 3.100 1.200 1.200 peak 4874 spectrum 1 weight 0.10000E+01 volume 0.18663E-02 ppm1 2.840 ppm2 7.221 CV 1 ASSI { 4875} (( segid " " and resid 114 and name HB2 )) (( segid " " and resid 114 and name HD22)) 4.300 2.300 1.700 peak 4875 spectrum 1 weight 0.10000E+01 volume 0.10145E-02 ppm1 2.840 ppm2 7.148 CV 1 ASSI { 4876} (( segid " " and resid 114 and name HB3 )) (( segid " " and resid 115 and name HN )) 4.200 2.200 1.800 peak 4876 spectrum 1 weight 0.10000E+01 volume 0.83212E-03 ppm1 2.513 ppm2 7.019 CV 1 ASSI { 4877} (( segid " " and resid 114 and name HB3 )) (( segid " " and resid 114 and name HD21)) 2.700 0.900 0.900 peak 4877 spectrum 1 weight 0.10000E+01 volume 0.24058E-02 ppm1 2.513 ppm2 7.214 CV 1 ASSI { 4878} (( segid " " and resid 114 and name HB3 )) (( segid " " and resid 114 and name HD22)) 4.100 2.100 1.900 peak 4878 spectrum 1 weight 0.10000E+01 volume 0.13847E-02 ppm1 2.513 ppm2 7.149 CV 1 ASSI { 4880} (( segid " " and resid 114 and name HB3 )) (( segid " " and resid 91 and name HB3 )) 3.300 1.300 1.300 peak 4880 spectrum 1 weight 0.10000E+01 volume 0.10467E-02 ppm1 2.513 ppm2 1.774 CV 1 OR { 4880} (( segid " " and resid 114 and name HB3 )) (( segid " " and resid 91 and name HG2 )) OR { 4880} (( segid " " and resid 114 and name HB3 )) (( segid " " and resid 91 and name HD3 )) OR { 4880} (( segid " " and resid 114 and name HB3 )) (( segid " " and resid 91 and name HD2 )) ASSI { 4881} (( segid " " and resid 114 and name HB3 )) (( segid " " and resid 91 and name HG3 )) 3.900 1.900 1.900 peak 4881 spectrum 1 weight 0.10000E+01 volume 0.79399E-03 ppm1 2.513 ppm2 1.425 CV 1 ASSI { 4882} (( segid " " and resid 115 and name HB2 )) (( segid " " and resid 115 and name HB3 )) 1.900 0.400 0.400 peak 4882 spectrum 1 weight 0.10000E+01 volume 0.52642E-02 ppm1 1.948 ppm2 1.358 CV 1 OR { 4882} (( segid " " and resid 115 and name HB2 )) (( segid " " and resid 115 and name HG )) ASSI { 4883} (( segid " " and resid 115 and name HB2 )) ( segid " " and resid 115 and name HD2%) 3.300 1.400 1.400 peak 4883 spectrum 1 weight 0.10000E+01 volume 0.31801E-02 ppm1 1.948 ppm2 0.804 CV 1 ASSI { 4884} (( segid " " and resid 115 and name HB3 )) (( segid " " and resid 115 and name HB2 )) 2.000 0.500 0.500 peak 4884 spectrum 1 weight 0.10000E+01 volume 0.35866E-02 ppm1 1.354 ppm2 1.942 CV 1 ASSI { 4885} (( segid " " and resid 115 and name HB3 )) ( segid " " and resid 115 and name HD2%) 2.600 0.800 0.800 peak 4885 spectrum 1 weight 0.10000E+01 volume 0.38036E-02 ppm1 1.354 ppm2 0.804 CV 1 ASSI { 4891} ( segid " " and resid 115 and name HD1%) (( segid " " and resid 115 and name HB2 )) 2.400 0.700 0.700 peak 4891 spectrum 1 weight 0.10000E+01 volume 0.65510E-02 ppm1 0.856 ppm2 1.963 CV 1 ASSI { 4892} ( segid " " and resid 115 and name HD1%) (( segid " " and resid 109 and name HB2 )) 3.900 1.900 1.900 peak 4892 spectrum 1 weight 0.10000E+01 volume 0.17662E-02 ppm1 0.856 ppm2 2.166 CV 1 ASSI { 4895} ( segid " " and resid 115 and name HD1%) (( segid " " and resid 109 and name HA )) 3.700 1.700 1.700 peak 4895 spectrum 1 weight 0.10000E+01 volume 0.10485E-02 ppm1 0.856 ppm2 3.970 CV 1 ASSI { 4896} ( segid " " and resid 115 and name HD1%) (( segid " " and resid 115 and name HA )) 3.900 1.900 1.900 peak 4896 spectrum 1 weight 0.10000E+01 volume 0.14652E-02 ppm1 0.856 ppm2 4.129 CV 1 ASSI { 4898} ( segid " " and resid 115 and name HD1%) (( segid " " and resid 91 and name HA )) 5.000 3.100 1.000 peak 4898 spectrum 1 weight 0.10000E+01 volume 0.64913E-03 ppm1 0.856 ppm2 5.276 CV 1 ASSI { 4899} ( segid " " and resid 115 and name HD1%) (( segid " " and resid 118 and name HA )) 4.000 2.000 2.000 peak 4899 spectrum 1 weight 0.10000E+01 volume 0.58785E-03 ppm1 0.856 ppm2 5.402 CV 1 ASSI { 4903} ( segid " " and resid 115 and name HD1%) (( segid " " and resid 112 and name HN )) 4.200 2.200 1.800 peak 4903 spectrum 1 weight 0.10000E+01 volume 0.74388E-03 ppm1 0.856 ppm2 7.184 CV 1 ASSI { 4904} ( segid " " and resid 115 and name HD1%) (( segid " " and resid 141 and name HE21)) 3.200 1.300 1.300 peak 4904 spectrum 1 weight 0.10000E+01 volume 0.11200E-02 ppm1 0.856 ppm2 7.634 CV 1 ASSI { 4909} ( segid " " and resid 115 and name HD2%) (( segid " " and resid 118 and name HA )) 3.700 1.700 1.700 peak 4909 spectrum 1 weight 0.10000E+01 volume 0.74153E-03 ppm1 0.788 ppm2 5.400 CV 1 ASSI { 4911} ( segid " " and resid 115 and name HD2%) (( segid " " and resid 92 and name HA )) 3.200 1.300 1.300 peak 4911 spectrum 1 weight 0.10000E+01 volume 0.20803E-02 ppm1 0.788 ppm2 5.663 CV 1 ASSI { 4914} ( segid " " and resid 115 and name HD2%) (( segid " " and resid 117 and name HN )) 3.700 1.700 1.700 peak 4914 spectrum 1 weight 0.10000E+01 volume 0.23271E-02 ppm1 0.788 ppm2 8.304 CV 1 ASSI { 4916} ( segid " " and resid 115 and name HD2%) (( segid " " and resid 91 and name HA )) 2.600 0.800 0.800 peak 4916 spectrum 1 weight 0.10000E+01 volume 0.36409E-02 ppm1 0.788 ppm2 5.261 CV 1 ASSI { 4920} (( segid " " and resid 115 and name HG )) (( segid " " and resid 115 and name HN )) 2.900 1.000 1.000 peak 4920 spectrum 1 weight 0.10000E+01 volume 0.10550E-02 ppm1 1.363 ppm2 7.005 CV 1 ASSI { 4931} (( segid " " and resid 116 and name HG2 )) (( segid " " and resid 116 and name HA )) 3.100 1.200 1.200 peak 4931 spectrum 1 weight 0.10000E+01 volume 0.15766E-02 ppm1 1.704 ppm2 4.831 CV 1 ASSI { 4932} (( segid " " and resid 116 and name HG2 )) (( segid " " and resid 91 and name HB2 )) 2.200 0.600 0.600 peak 4932 spectrum 1 weight 0.10000E+01 volume 0.75641E-02 ppm1 1.704 ppm2 1.837 CV 1 OR { 4932} (( segid " " and resid 116 and name HG2 )) (( segid " " and resid 91 and name HD2 )) ASSI { 4933} (( segid " " and resid 116 and name HG2 )) (( segid " " and resid 116 and name HB2 )) 2.400 0.700 0.700 peak 4933 spectrum 1 weight 0.10000E+01 volume 0.64197E-02 ppm1 1.704 ppm2 1.974 CV 1 OR { 4933} (( segid " " and resid 116 and name HG2 )) (( segid " " and resid 116 and name HB3 )) ASSI { 4934} (( segid " " and resid 116 and name HG2 )) (( segid " " and resid 91 and name HE3 )) 2.400 2.400 3.600 peak 4934 spectrum 1 weight 0.10000E+01 volume 0.24177E-02 ppm1 1.704 ppm2 3.040 CV 1 OR { 4934} (( segid " " and resid 116 and name HG2 )) (( segid " " and resid 91 and name HE2 )) ASSI { 4935} (( segid " " and resid 116 and name HG2 )) (( segid " " and resid 92 and name HB2 )) 3.100 3.100 2.900 peak 4935 spectrum 1 weight 0.10000E+01 volume 0.17936E-02 ppm1 1.704 ppm2 3.111 CV 1 ASSI { 4938} (( segid " " and resid 66 and name HB2 )) (( segid " " and resid 66 and name HB3 )) 1.800 0.400 0.400 peak 4938 spectrum 1 weight 0.10000E+01 volume 0.39121E-02 ppm1 1.862 ppm2 1.426 CV 1 ASSI { 4943} (( segid " " and resid 67 and name HG2 )) (( segid " " and resid 67 and name HB2 )) 2.500 0.800 0.800 peak 4943 spectrum 1 weight 0.10000E+01 volume 0.59001E-02 ppm1 1.778 ppm2 1.971 CV 1 OR { 4943} (( segid " " and resid 67 and name HG2 )) (( segid " " and resid 67 and name HB3 )) ASSI { 4949} (( segid " " and resid 116 and name HD2 )) (( segid " " and resid 143 and name HN )) 3.000 3.000 3.000 peak 4949 spectrum 1 weight 0.10000E+01 volume 0.70696E-03 ppm1 1.700 ppm2 8.600 CV 1 OR { 4949} (( segid " " and resid 116 and name HD3 )) (( segid " " and resid 143 and name HN )) ASSI { 4950} (( segid " " and resid 116 and name HD3 )) (( segid " " and resid 116 and name HN )) 4.200 2.200 1.800 peak 4950 spectrum 1 weight 0.10000E+01 volume 0.77014E-03 ppm1 1.704 ppm2 9.015 CV 1 OR { 4950} (( segid " " and resid 116 and name HD2 )) (( segid " " and resid 116 and name HN )) ASSI { 4952} (( segid " " and resid 119 and name HA )) (( segid " " and resid 119 and name HN )) 3.200 1.300 1.300 peak 4952 spectrum 1 weight 0.10000E+01 volume 0.11081E-02 ppm1 5.664 ppm2 8.195 CV 1 ASSI { 4953} (( segid " " and resid 119 and name HA )) (( segid " " and resid 146 and name HN )) 2.800 1.000 1.000 peak 4953 spectrum 1 weight 0.10000E+01 volume 0.26663E-02 ppm1 5.665 ppm2 9.926 CV 1 ASSI { 4955} (( segid " " and resid 119 and name HA )) (( segid " " and resid 146 and name HA )) 3.100 1.200 1.200 peak 4955 spectrum 1 weight 0.10000E+01 volume 0.16183E-02 ppm1 5.665 ppm2 4.615 CV 1 ASSI { 4957} (( segid " " and resid 119 and name HA )) (( segid " " and resid 119 and name HB2 )) 3.000 1.100 1.100 peak 4957 spectrum 1 weight 0.10000E+01 volume 0.17853E-02 ppm1 5.665 ppm2 2.817 CV 1 ASSI { 4962} (( segid " " and resid 119 and name HB2 )) (( segid " " and resid 120 and name HN )) 4.800 2.800 1.200 peak 4962 spectrum 1 weight 0.10000E+01 volume 0.61872E-03 ppm1 2.819 ppm2 10.163 CV 1 ASSI { 4963} (( segid " " and resid 119 and name HB2 )) (( segid " " and resid 119 and name HB3 )) 2.100 0.500 0.500 peak 4963 spectrum 1 weight 0.10000E+01 volume 0.43943E-02 ppm1 2.818 ppm2 2.661 CV 1 ASSI { 4967} (( segid " " and resid 120 and name HB2 )) (( segid " " and resid 120 and name HB3 )) 2.000 0.500 0.500 peak 4967 spectrum 1 weight 0.10000E+01 volume 0.35324E-02 ppm1 2.205 ppm2 1.426 CV 1 ASSI { 4968} (( segid " " and resid 120 and name HB2 )) (( segid " " and resid 120 and name HG )) 2.800 1.000 1.000 peak 4968 spectrum 1 weight 0.10000E+01 volume 0.17119E-02 ppm1 2.205 ppm2 1.301 CV 1 ASSI { 4970} (( segid " " and resid 120 and name HB2 )) ( segid " " and resid 120 and name HD2%) 3.300 1.400 1.400 peak 4970 spectrum 1 weight 0.10000E+01 volume 0.18043E-02 ppm1 2.205 ppm2 0.815 CV 1 ASSI { 4973} (( segid " " and resid 120 and name HB3 )) (( segid " " and resid 120 and name HG )) 3.000 1.100 1.100 peak 4973 spectrum 1 weight 0.10000E+01 volume 0.20076E-02 ppm1 1.428 ppm2 1.309 CV 1 ASSI { 4975} (( segid " " and resid 120 and name HB3 )) ( segid " " and resid 120 and name HD2%) 3.100 1.200 1.200 peak 4975 spectrum 1 weight 0.10000E+01 volume 0.29309E-02 ppm1 1.428 ppm2 0.809 CV 1 ASSI { 4980} (( segid " " and resid 120 and name HG )) (( segid " " and resid 120 and name HA )) 3.700 1.700 1.700 peak 4980 spectrum 1 weight 0.10000E+01 volume 0.10711E-02 ppm1 1.308 ppm2 4.255 CV 1 ASSI { 4981} ( segid " " and resid 120 and name HD1%) (( segid " " and resid 120 and name HG )) 2.200 0.600 0.600 peak 4981 spectrum 1 weight 0.10000E+01 volume 0.97162E-02 ppm1 0.930 ppm2 1.294 CV 1 ASSI { 4982} ( segid " " and resid 120 and name HD1%) (( segid " " and resid 120 and name HB3 )) 2.600 0.800 0.800 peak 4982 spectrum 1 weight 0.10000E+01 volume 0.47430E-02 ppm1 0.930 ppm2 1.422 CV 1 ASSI { 4983} ( segid " " and resid 120 and name HD1%) (( segid " " and resid 120 and name HB2 )) 2.900 1.100 1.100 peak 4983 spectrum 1 weight 0.10000E+01 volume 0.40039E-02 ppm1 0.930 ppm2 2.210 CV 1 ASSI { 4984} ( segid " " and resid 120 and name HD1%) ( segid " " and resid 135 and name HG2%) 2.900 1.100 1.100 peak 4984 spectrum 1 weight 0.10000E+01 volume 0.24594E-02 ppm1 0.930 ppm2 0.442 CV 1 ASSI { 4985} ( segid " " and resid 120 and name HD1%) ( segid " " and resid 118 and name HD1%) 2.700 0.900 0.900 peak 4985 spectrum 1 weight 0.10000E+01 volume 0.54015E-02 ppm1 0.930 ppm2 0.593 CV 1 ASSI { 4987} ( segid " " and resid 120 and name HD1%) (( segid " " and resid 120 and name HA )) 3.500 1.500 1.500 peak 4987 spectrum 1 weight 0.10000E+01 volume 0.15266E-02 ppm1 0.930 ppm2 4.259 CV 1 ASSI { 4992} (( segid " " and resid 66 and name HB3 )) (( segid " " and resid 66 and name HA )) 3.400 1.400 1.400 peak 4992 spectrum 1 weight 0.10000E+01 volume 0.82556E-03 ppm1 1.441 ppm2 4.153 CV 1 ASSI { 4993} (( segid " " and resid 128 and name HB3 )) (( segid " " and resid 131 and name HA )) 3.900 1.900 1.900 peak 4993 spectrum 1 weight 0.10000E+01 volume 0.84761E-03 ppm1 1.577 ppm2 4.060 CV 1 ASSI { 4994} (( segid " " and resid 128 and name HB3 )) (( segid " " and resid 131 and name HB2 )) 5.000 3.100 1.000 peak 4994 spectrum 1 weight 0.10000E+01 volume 0.76834E-03 ppm1 1.577 ppm2 3.606 CV 1 ASSI { 4995} (( segid " " and resid 128 and name HB3 )) (( segid " " and resid 131 and name HB3 )) 4.500 2.500 1.500 peak 4995 spectrum 1 weight 0.10000E+01 volume 0.57427E-03 ppm1 1.577 ppm2 2.684 CV 1 ASSI { 4996} (( segid " " and resid 128 and name HB3 )) (( segid " " and resid 128 and name HG )) 2.900 1.000 1.000 peak 4996 spectrum 1 weight 0.10000E+01 volume 0.34132E-02 ppm1 1.577 ppm2 1.982 CV 1 ASSI { 4997} (( segid " " and resid 128 and name HB3 )) (( segid " " and resid 128 and name HB2 )) 1.600 0.300 0.600 peak 4997 spectrum 1 weight 0.10000E+01 volume 0.12273E-01 ppm1 1.577 ppm2 1.842 CV 1 ASSI { 5002} (( segid " " and resid 128 and name HB2 )) (( segid " " and resid 131 and name HB2 )) 3.600 1.600 1.600 peak 5002 spectrum 1 weight 0.10000E+01 volume 0.11200E-02 ppm1 1.836 ppm2 3.606 CV 1 ASSI { 5003} (( segid " " and resid 128 and name HB2 )) (( segid " " and resid 131 and name HB3 )) 2.700 0.900 0.900 peak 5003 spectrum 1 weight 0.10000E+01 volume 0.85477E-03 ppm1 1.836 ppm2 2.684 CV 1 ASSI { 5013} ( segid " " and resid 80 and name HD1%) (( segid " " and resid 80 and name HG )) 2.000 0.500 0.500 peak 5013 spectrum 1 weight 0.10000E+01 volume 0.13418E-01 ppm1 0.816 ppm2 1.575 CV 1 ASSI { 5014} ( segid " " and resid 120 and name HD2%) (( segid " " and resid 120 and name HA )) 2.300 0.700 0.700 peak 5014 spectrum 1 weight 0.10000E+01 volume 0.97638E-02 ppm1 0.817 ppm2 4.273 CV 1 ASSI { 5015} ( segid " " and resid 120 and name HD2%) (( segid " " and resid 120 and name HN )) 3.600 1.600 1.600 peak 5015 spectrum 1 weight 0.10000E+01 volume 0.97518E-03 ppm1 0.819 ppm2 10.162 CV 1 ASSI { 5019} ( segid " " and resid 66 and name HD1%) ( segid " " and resid 37 and name HD2%) 2.900 1.000 1.000 peak 5019 spectrum 1 weight 0.10000E+01 volume 0.85181E-03 ppm1 1.043 ppm2 0.255 CV 1 OR { 5019} ( segid " " and resid 66 and name HD1%) ( segid " " and resid 37 and name HD1%) ASSI { 5021} ( segid " " and resid 37 and name HD2%) (( segid " " and resid 60 and name HA )) 4.300 2.300 1.700 peak 5021 spectrum 1 weight 0.10000E+01 volume 0.83032E-03 ppm1 0.256 ppm2 3.991 CV 1 OR { 5021} ( segid " " and resid 37 and name HD1%) (( segid " " and resid 60 and name HA )) ASSI { 5027} ( segid " " and resid 47 and name HD2%) (( segid " " and resid 47 and name HG )) 2.100 0.600 0.600 peak 5027 spectrum 1 weight 0.10000E+01 volume 0.10867E-01 ppm1 0.712 ppm2 1.153 CV 1 OR { 5027} ( segid " " and resid 47 and name HD2%) (( segid " " and resid 47 and name HB3 )) ASSI { 5028} (( segid " " and resid 121 and name HB2 )) (( segid " " and resid 121 and name HB3 )) 1.700 0.400 0.500 peak 5028 spectrum 1 weight 0.10000E+01 volume 0.13847E-01 ppm1 3.142 ppm2 3.041 CV 1 ASSI { 5032} (( segid " " and resid 121 and name HA )) (( segid " " and resid 122 and name HN )) 2.200 0.600 0.600 peak 5032 spectrum 1 weight 0.10000E+01 volume 0.76954E-02 ppm1 4.210 ppm2 9.258 CV 1 ASSI { 5033} (( segid " " and resid 121 and name HA )) (( segid " " and resid 123 and name HN )) 3.800 1.800 1.800 peak 5033 spectrum 1 weight 0.10000E+01 volume 0.11349E-02 ppm1 4.210 ppm2 8.150 CV 1 ASSI { 5034} (( segid " " and resid 122 and name HB3 )) (( segid " " and resid 97 and name HN )) 3.000 1.100 1.100 peak 5034 spectrum 1 weight 0.10000E+01 volume 0.20833E-02 ppm1 3.074 ppm2 8.877 CV 1 OR { 5034} (( segid " " and resid 122 and name HB2 )) (( segid " " and resid 97 and name HN )) ASSI { 5035} (( segid " " and resid 122 and name HB3 )) (( segid " " and resid 123 and name HN )) 4.000 2.000 2.000 peak 5035 spectrum 1 weight 0.10000E+01 volume 0.83212E-03 ppm1 3.074 ppm2 8.142 CV 1 OR { 5035} (( segid " " and resid 122 and name HB2 )) (( segid " " and resid 123 and name HN )) ASSI { 5036} (( segid " " and resid 122 and name HB2 )) (( segid " " and resid 122 and name HD21)) 2.700 0.900 0.900 peak 5036 spectrum 1 weight 0.10000E+01 volume 0.36087E-02 ppm1 3.074 ppm2 7.886 CV 1 OR { 5036} (( segid " " and resid 122 and name HB3 )) (( segid " " and resid 122 and name HD21)) ASSI { 5037} (( segid " " and resid 122 and name HB2 )) (( segid " " and resid 122 and name HD22)) 3.900 1.900 1.900 peak 5037 spectrum 1 weight 0.10000E+01 volume 0.21888E-02 ppm1 3.074 ppm2 6.918 CV 1 OR { 5037} (( segid " " and resid 122 and name HB3 )) (( segid " " and resid 122 and name HD22)) ASSI { 5038} (( segid " " and resid 122 and name HB3 )) (( segid " " and resid 97 and name HA1 )) 3.500 1.500 1.500 peak 5038 spectrum 1 weight 0.10000E+01 volume 0.11970E-02 ppm1 3.074 ppm2 4.086 CV 1 OR { 5038} (( segid " " and resid 122 and name HB2 )) (( segid " " and resid 97 and name HA1 )) ASSI { 5039} (( segid " " and resid 122 and name HB3 )) (( segid " " and resid 97 and name HA2 )) 3.200 1.300 1.300 peak 5039 spectrum 1 weight 0.10000E+01 volume 0.22758E-02 ppm1 3.074 ppm2 3.801 CV 1 OR { 5039} (( segid " " and resid 122 and name HB2 )) (( segid " " and resid 97 and name HA2 )) ASSI { 5040} (( segid " " and resid 123 and name HB2 )) (( segid " " and resid 123 and name HB3 )) 2.000 0.500 0.500 peak 5040 spectrum 1 weight 0.10000E+01 volume 0.42805E-02 ppm1 3.610 ppm2 3.076 CV 1 ASSI { 5041} (( segid " " and resid 123 and name HB2 )) (( segid " " and resid 124 and name HG3 )) 4.700 2.700 1.300 peak 5041 spectrum 1 weight 0.10000E+01 volume 0.92632E-03 ppm1 3.610 ppm2 2.372 CV 1 OR { 5041} (( segid " " and resid 123 and name HB2 )) (( segid " " and resid 124 and name HG2 )) ASSI { 5042} (( segid " " and resid 123 and name HB2 )) (( segid " " and resid 100 and name HB )) 3.600 1.600 1.600 peak 5042 spectrum 1 weight 0.10000E+01 volume 0.13716E-02 ppm1 3.610 ppm2 2.067 CV 1 ASSI { 5043} (( segid " " and resid 123 and name HB2 )) (( segid " " and resid 120 and name HB3 )) 3.400 1.500 1.500 peak 5043 spectrum 1 weight 0.10000E+01 volume 0.73376E-03 ppm1 3.610 ppm2 1.409 CV 1 ASSI { 5045} (( segid " " and resid 123 and name HB2 )) ( segid " " and resid 125 and name HG2%) 3.200 1.300 1.300 peak 5045 spectrum 1 weight 0.10000E+01 volume 0.26859E-02 ppm1 3.610 ppm2 0.721 CV 1 ASSI { 5049} (( segid " " and resid 123 and name HB3 )) (( segid " " and resid 124 and name HG3 )) 4.300 2.300 1.700 peak 5049 spectrum 1 weight 0.10000E+01 volume 0.11838E-02 ppm1 3.080 ppm2 2.369 CV 1 OR { 5049} (( segid " " and resid 123 and name HB3 )) (( segid " " and resid 124 and name HG2 )) ASSI { 5051} (( segid " " and resid 123 and name HB3 )) (( segid " " and resid 120 and name HB3 )) 3.400 1.500 1.500 peak 5051 spectrum 1 weight 0.10000E+01 volume 0.77846E-03 ppm1 3.080 ppm2 1.408 CV 1 ASSI { 5055} (( segid " " and resid 109 and name HA )) (( segid " " and resid 109 and name HB2 )) 3.000 1.100 1.100 peak 5055 spectrum 1 weight 0.10000E+01 volume 0.25935E-02 ppm1 3.983 ppm2 2.149 CV 1 ASSI { 5058} (( segid " " and resid 109 and name HA )) (( segid " " and resid 109 and name HB3 )) 2.400 0.700 0.700 peak 5058 spectrum 1 weight 0.10000E+01 volume 0.34948E-02 ppm1 3.983 ppm2 1.359 CV 1 ASSI { 5060} (( segid " " and resid 109 and name HA )) ( segid " " and resid 109 and name HD2%) 2.200 0.600 0.600 peak 5060 spectrum 1 weight 0.10000E+01 volume 0.83032E-02 ppm1 3.983 ppm2 0.735 CV 1 ASSI { 5062} (( segid " " and resid 125 and name HB )) ( segid " " and resid 125 and name HG2%) 2.300 0.600 0.600 peak 5062 spectrum 1 weight 0.10000E+01 volume 0.58004E-02 ppm1 1.622 ppm2 0.722 CV 1 ASSI { 5076} ( segid " " and resid 125 and name HG2%) ( segid " " and resid 125 and name HG1%) 1.800 0.400 0.400 peak 5076 spectrum 1 weight 0.10000E+01 volume 0.36498E-01 ppm1 0.714 ppm2 0.827 CV 1 ASSI { 5078} ( segid " " and resid 125 and name HG2%) (( segid " " and resid 120 and name HB3 )) 2.800 1.000 1.000 peak 5078 spectrum 1 weight 0.10000E+01 volume 0.20911E-02 ppm1 0.714 ppm2 1.411 CV 1 ASSI { 5081} ( segid " " and resid 125 and name HG2%) (( segid " " and resid 120 and name HB2 )) 3.900 1.900 1.900 peak 5081 spectrum 1 weight 0.10000E+01 volume 0.12816E-02 ppm1 0.714 ppm2 2.204 CV 1 ASSI { 5082} ( segid " " and resid 125 and name HG2%) (( segid " " and resid 126 and name HA )) 3.200 1.300 1.300 peak 5082 spectrum 1 weight 0.10000E+01 volume 0.14193E-02 ppm1 0.714 ppm2 2.388 CV 1 ASSI { 5083} ( segid " " and resid 125 and name HG2%) (( segid " " and resid 123 and name HB3 )) 2.500 0.800 0.800 peak 5083 spectrum 1 weight 0.10000E+01 volume 0.36141E-02 ppm1 0.714 ppm2 3.072 CV 1 ASSI { 5085} ( segid " " and resid 125 and name HG2%) (( segid " " and resid 125 and name HA )) 3.200 1.300 1.300 peak 5085 spectrum 1 weight 0.10000E+01 volume 0.31646E-02 ppm1 0.714 ppm2 3.810 CV 1 ASSI { 5088} ( segid " " and resid 125 and name HG2%) (( segid " " and resid 123 and name HA )) 4.600 2.700 1.400 peak 5088 spectrum 1 weight 0.10000E+01 volume 0.74509E-03 ppm1 0.714 ppm2 4.703 CV 1 ASSI { 5091} ( segid " " and resid 125 and name HG2%) (( segid " " and resid 100 and name HN )) 2.900 2.900 3.100 peak 5091 spectrum 1 weight 0.10000E+01 volume 0.80471E-03 ppm1 0.714 ppm2 6.605 CV 1 ASSI { 5093} ( segid " " and resid 125 and name HG2%) (( segid " " and resid 127 and name HD21)) 4.600 2.600 1.400 peak 5093 spectrum 1 weight 0.10000E+01 volume 0.63425E-03 ppm1 0.714 ppm2 7.359 CV 1 ASSI { 5094} ( segid " " and resid 125 and name HG2%) (( segid " " and resid 125 and name HN )) 2.200 0.600 0.600 peak 5094 spectrum 1 weight 0.10000E+01 volume 0.65034E-02 ppm1 0.714 ppm2 8.170 CV 1 ASSI { 5098} (( segid " " and resid 126 and name HA )) (( segid " " and resid 127 and name HD22)) 5.100 3.300 0.900 peak 5098 spectrum 1 weight 0.10000E+01 volume 0.70696E-03 ppm1 2.412 ppm2 6.881 CV 1 ASSI { 5101} ( segid " " and resid 125 and name HG1%) (( segid " " and resid 103 and name HA )) 2.800 1.000 1.000 peak 5101 spectrum 1 weight 0.10000E+01 volume 0.21155E-02 ppm1 0.822 ppm2 3.978 CV 1 ASSI { 5105} ( segid " " and resid 125 and name HG1%) (( segid " " and resid 102 and name HA )) 2.600 0.800 0.800 peak 5105 spectrum 1 weight 0.10000E+01 volume 0.38847E-02 ppm1 0.822 ppm2 4.863 CV 1 ASSI { 5110} ( segid " " and resid 125 and name HG1%) (( segid " " and resid 125 and name HN )) 2.600 0.800 0.800 peak 5110 spectrum 1 weight 0.10000E+01 volume 0.25632E-02 ppm1 0.822 ppm2 8.168 CV 1 ASSI { 5111} ( segid " " and resid 125 and name HG1%) (( segid " " and resid 103 and name HN )) 3.500 1.500 1.500 peak 5111 spectrum 1 weight 0.10000E+01 volume 0.13310E-02 ppm1 0.822 ppm2 8.444 CV 1 ASSI { 5114} (( segid " " and resid 126 and name HB )) ( segid " " and resid 125 and name HG2%) 4.600 2.700 1.400 peak 5114 spectrum 1 weight 0.10000E+01 volume 0.79695E-03 ppm1 3.731 ppm2 0.716 CV 1 ASSI { 5117} ( segid " " and resid 126 and name HG2%) (( segid " " and resid 120 and name HB3 )) 2.700 0.900 0.900 peak 5117 spectrum 1 weight 0.10000E+01 volume 0.23640E-02 ppm1 0.972 ppm2 1.431 CV 1 ASSI { 5121} ( segid " " and resid 126 and name HG2%) (( segid " " and resid 123 and name HB3 )) 2.900 1.000 1.000 peak 5121 spectrum 1 weight 0.10000E+01 volume 0.32987E-02 ppm1 0.972 ppm2 3.078 CV 1 ASSI { 5122} ( segid " " and resid 126 and name HG2%) (( segid " " and resid 123 and name HB2 )) 3.300 1.400 1.400 peak 5122 spectrum 1 weight 0.10000E+01 volume 0.21185E-02 ppm1 0.972 ppm2 3.608 CV 1 ASSI { 5128} ( segid " " and resid 126 and name HG2%) (( segid " " and resid 126 and name HN )) 2.200 0.600 0.600 peak 5128 spectrum 1 weight 0.10000E+01 volume 0.83568E-02 ppm1 0.973 ppm2 7.196 CV 1 ASSI { 5129} ( segid " " and resid 126 and name HG2%) (( segid " " and resid 127 and name HN )) 4.100 2.100 1.900 peak 5129 spectrum 1 weight 0.10000E+01 volume 0.12989E-02 ppm1 0.973 ppm2 7.651 CV 1 ASSI { 5131} ( segid " " and resid 126 and name HG2%) (( segid " " and resid 122 and name HN )) 3.000 1.100 1.100 peak 5131 spectrum 1 weight 0.10000E+01 volume 0.24517E-02 ppm1 0.973 ppm2 9.250 CV 1 ASSI { 5133} ( segid " " and resid 126 and name HG2%) ( segid " " and resid 131 and name HE% ) 3.900 1.900 1.900 peak 5133 spectrum 1 weight 0.10000E+01 volume 0.70876E-03 ppm1 0.973 ppm2 6.789 CV 1 ASSI { 5136} (( segid " " and resid 128 and name HA )) (( segid " " and resid 127 and name HN )) 4.200 2.200 1.800 peak 5136 spectrum 1 weight 0.10000E+01 volume 0.78327E-03 ppm1 4.187 ppm2 7.666 CV 1 ASSI { 5139} (( segid " " and resid 128 and name HA )) (( segid " " and resid 129 and name HB2 )) 4.500 2.500 1.500 peak 5139 spectrum 1 weight 0.10000E+01 volume 0.11582E-02 ppm1 4.187 ppm2 2.799 CV 1 ASSI { 5140} (( segid " " and resid 128 and name HA )) (( segid " " and resid 128 and name HG )) 3.200 1.200 1.200 peak 5140 spectrum 1 weight 0.10000E+01 volume 0.20022E-02 ppm1 4.187 ppm2 1.978 CV 1 ASSI { 5141} (( segid " " and resid 128 and name HA )) (( segid " " and resid 128 and name HB2 )) 2.900 1.100 1.100 peak 5141 spectrum 1 weight 0.10000E+01 volume 0.30460E-02 ppm1 4.187 ppm2 1.822 CV 1 ASSI { 5142} (( segid " " and resid 128 and name HA )) (( segid " " and resid 128 and name HB3 )) 2.400 0.700 0.700 peak 5142 spectrum 1 weight 0.10000E+01 volume 0.42643E-02 ppm1 4.187 ppm2 1.573 CV 1 ASSI { 5146} (( segid " " and resid 128 and name HG )) (( segid " " and resid 125 and name HA )) 2.300 0.700 0.700 peak 5146 spectrum 1 weight 0.10000E+01 volume 0.28999E-02 ppm1 1.980 ppm2 3.810 CV 1 ASSI { 5147} (( segid " " and resid 128 and name HG )) (( segid " " and resid 128 and name HB2 )) 2.200 0.600 0.600 peak 5147 spectrum 1 weight 0.10000E+01 volume 0.49039E-02 ppm1 1.980 ppm2 1.841 CV 1 ASSI { 5154} ( segid " " and resid 128 and name HD1%) (( segid " " and resid 128 and name HB3 )) 2.300 0.700 0.700 peak 5154 spectrum 1 weight 0.10000E+01 volume 0.70756E-02 ppm1 1.087 ppm2 1.580 CV 1 ASSI { 5155} ( segid " " and resid 128 and name HD1%) (( segid " " and resid 103 and name HG )) 2.400 0.700 0.700 peak 5155 spectrum 1 weight 0.10000E+01 volume 0.49498E-02 ppm1 1.087 ppm2 1.700 CV 1 ASSI { 5156} ( segid " " and resid 128 and name HD1%) (( segid " " and resid 128 and name HB2 )) 2.300 0.700 0.700 peak 5156 spectrum 1 weight 0.10000E+01 volume 0.65690E-02 ppm1 1.087 ppm2 1.839 CV 1 ASSI { 5157} ( segid " " and resid 128 and name HD1%) (( segid " " and resid 128 and name HG )) 2.100 0.500 0.500 peak 5157 spectrum 1 weight 0.10000E+01 volume 0.96686E-02 ppm1 1.087 ppm2 1.984 CV 1 ASSI { 5161} ( segid " " and resid 128 and name HD1%) (( segid " " and resid 125 and name HA )) 2.700 0.900 0.900 peak 5161 spectrum 1 weight 0.10000E+01 volume 0.40474E-02 ppm1 1.087 ppm2 3.817 CV 1 ASSI { 5162} ( segid " " and resid 128 and name HD1%) (( segid " " and resid 128 and name HA )) 3.900 1.900 1.900 peak 5162 spectrum 1 weight 0.10000E+01 volume 0.22269E-02 ppm1 1.087 ppm2 4.192 CV 1 ASSI { 5163} ( segid " " and resid 128 and name HD1%) (( segid " " and resid 102 and name HA )) 2.400 0.700 0.700 peak 5163 spectrum 1 weight 0.10000E+01 volume 0.45135E-02 ppm1 1.087 ppm2 4.856 CV 1 ASSI { 5164} ( segid " " and resid 128 and name HD1%) (( segid " " and resid 128 and name HN )) 3.700 1.700 1.700 peak 5164 spectrum 1 weight 0.10000E+01 volume 0.24904E-02 ppm1 1.087 ppm2 7.398 CV 1 ASSI { 5166} ( segid " " and resid 128 and name HD1%) (( segid " " and resid 103 and name HN )) 3.000 1.100 1.100 peak 5166 spectrum 1 weight 0.10000E+01 volume 0.25935E-02 ppm1 1.087 ppm2 8.447 CV 1 ASSI { 5169} ( segid " " and resid 128 and name HD2%) (( segid " " and resid 128 and name HB3 )) 2.500 0.800 0.800 peak 5169 spectrum 1 weight 0.10000E+01 volume 0.59607E-02 ppm1 0.988 ppm2 1.579 CV 1 ASSI { 5170} ( segid " " and resid 128 and name HD2%) (( segid " " and resid 128 and name HB2 )) 3.400 1.500 1.500 peak 5170 spectrum 1 weight 0.10000E+01 volume 0.37219E-02 ppm1 0.988 ppm2 1.846 CV 1 ASSI { 5172} ( segid " " and resid 128 and name HD2%) (( segid " " and resid 128 and name HG )) 2.000 0.500 0.500 peak 5172 spectrum 1 weight 0.10000E+01 volume 0.12553E-01 ppm1 0.988 ppm2 1.979 CV 1 ASSI { 5174} ( segid " " and resid 128 and name HD2%) (( segid " " and resid 127 and name HB2 )) 3.200 1.300 1.300 peak 5174 spectrum 1 weight 0.10000E+01 volume 0.10199E-02 ppm1 0.988 ppm2 2.937 CV 1 ASSI { 5175} ( segid " " and resid 128 and name HD2%) (( segid " " and resid 125 and name HA )) 4.100 2.100 1.900 peak 5175 spectrum 1 weight 0.10000E+01 volume 0.14079E-02 ppm1 0.988 ppm2 3.821 CV 1 ASSI { 5176} ( segid " " and resid 128 and name HD2%) (( segid " " and resid 128 and name HA )) 2.100 0.500 0.500 peak 5176 spectrum 1 weight 0.10000E+01 volume 0.11618E-01 ppm1 0.988 ppm2 4.191 CV 1 ASSI { 5177} ( segid " " and resid 128 and name HD2%) (( segid " " and resid 102 and name HA )) 3.700 1.700 1.700 peak 5177 spectrum 1 weight 0.10000E+01 volume 0.13120E-02 ppm1 0.988 ppm2 4.854 CV 1 ASSI { 5178} ( segid " " and resid 128 and name HD2%) (( segid " " and resid 128 and name HN )) 3.500 1.500 1.500 peak 5178 spectrum 1 weight 0.10000E+01 volume 0.27318E-02 ppm1 0.988 ppm2 7.405 CV 1 ASSI { 5179} ( segid " " and resid 128 and name HD2%) (( segid " " and resid 127 and name HN )) 3.000 3.000 3.000 peak 5179 spectrum 1 weight 0.10000E+01 volume 0.69263E-03 ppm1 0.988 ppm2 7.649 CV 1 ASSI { 5181} (( segid " " and resid 129 and name HB3 )) (( segid " " and resid 129 and name HB2 )) 1.600 0.300 0.600 peak 5181 spectrum 1 weight 0.10000E+01 volume 0.30299E-01 ppm1 2.668 ppm2 2.787 CV 1 ASSI { 5182} (( segid " " and resid 129 and name HB3 )) ( segid " " and resid 130 and name HB% ) 3.800 1.800 1.800 peak 5182 spectrum 1 weight 0.10000E+01 volume 0.99427E-03 ppm1 2.668 ppm2 1.341 CV 1 ASSI { 5187} (( segid " " and resid 129 and name HB2 )) ( segid " " and resid 130 and name HB% ) 4.100 2.100 1.900 peak 5187 spectrum 1 weight 0.10000E+01 volume 0.70099E-03 ppm1 2.795 ppm2 1.346 CV 1 ASSI { 5192} (( segid " " and resid 129 and name HB2 )) (( segid " " and resid 130 and name HN )) 4.500 2.500 1.500 peak 5192 spectrum 1 weight 0.10000E+01 volume 0.94000E-03 ppm1 2.795 ppm2 8.973 CV 1 ASSI { 5193} (( segid " " and resid 130 and name HA )) (( segid " " and resid 129 and name HA )) 4.700 2.800 1.300 peak 5193 spectrum 1 weight 0.10000E+01 volume 0.15188E-02 ppm1 4.183 ppm2 4.417 CV 1 ASSI { 5199} (( segid " " and resid 130 and name HA )) (( segid " " and resid 133 and name HB2 )) 4.100 2.100 1.900 peak 5199 spectrum 1 weight 0.10000E+01 volume 0.76538E-03 ppm1 4.183 ppm2 2.078 CV 1 ASSI { 5200} ( segid " " and resid 130 and name HB% ) (( segid " " and resid 134 and name HN )) 3.600 1.600 1.600 peak 5200 spectrum 1 weight 0.10000E+01 volume 0.18342E-02 ppm1 1.349 ppm2 8.608 CV 1 ASSI { 5202} ( segid " " and resid 130 and name HB% ) (( segid " " and resid 134 and name HD21)) 2.900 1.000 1.000 peak 5202 spectrum 1 weight 0.10000E+01 volume 0.50112E-02 ppm1 1.349 ppm2 7.318 CV 1 ASSI { 5204} ( segid " " and resid 130 and name HB% ) (( segid " " and resid 129 and name HA )) 4.100 2.100 1.900 peak 5204 spectrum 1 weight 0.10000E+01 volume 0.15725E-02 ppm1 1.349 ppm2 4.433 CV 1 ASSI { 5205} ( segid " " and resid 130 and name HB% ) (( segid " " and resid 134 and name HB2 )) 4.400 2.400 1.600 peak 5205 spectrum 1 weight 0.10000E+01 volume 0.92632E-03 ppm1 1.349 ppm2 2.917 CV 1 ASSI { 5208} ( segid " " and resid 130 and name HB% ) (( segid " " and resid 133 and name HB2 )) 2.600 0.800 0.800 peak 5208 spectrum 1 weight 0.10000E+01 volume 0.41284E-02 ppm1 1.349 ppm2 2.087 CV 1 ASSI { 5209} ( segid " " and resid 130 and name HB% ) (( segid " " and resid 133 and name HB3 )) 3.600 1.600 1.600 peak 5209 spectrum 1 weight 0.10000E+01 volume 0.40527E-02 ppm1 1.349 ppm2 1.942 CV 1 ASSI { 5215} (( segid " " and resid 131 and name HB2 )) (( segid " " and resid 132 and name HN )) 3.600 1.600 1.600 peak 5215 spectrum 1 weight 0.10000E+01 volume 0.96030E-03 ppm1 3.610 ppm2 8.204 CV 1 ASSI { 5216} (( segid " " and resid 131 and name HB2 )) (( segid " " and resid 131 and name HB3 )) 1.900 0.400 0.400 peak 5216 spectrum 1 weight 0.10000E+01 volume 0.47889E-02 ppm1 3.610 ppm2 2.672 CV 1 ASSI { 5224} (( segid " " and resid 131 and name HA )) (( segid " " and resid 131 and name HB2 )) 2.400 0.700 0.700 peak 5224 spectrum 1 weight 0.10000E+01 volume 0.42155E-02 ppm1 4.064 ppm2 3.611 CV 1 ASSI { 5225} (( segid " " and resid 131 and name HA )) (( segid " " and resid 134 and name HB3 )) 4.500 2.500 1.500 peak 5225 spectrum 1 weight 0.10000E+01 volume 0.10252E-02 ppm1 4.064 ppm2 2.433 CV 1 ASSI { 5226} (( segid " " and resid 131 and name HA )) (( segid " " and resid 128 and name HB2 )) 3.500 1.500 1.500 peak 5226 spectrum 1 weight 0.10000E+01 volume 0.11689E-02 ppm1 4.064 ppm2 1.838 CV 1 ASSI { 5235} (( segid " " and resid 131 and name HB3 )) (( segid " " and resid 128 and name HN )) 3.900 1.900 1.900 peak 5235 spectrum 1 weight 0.10000E+01 volume 0.57969E-03 ppm1 2.671 ppm2 7.407 CV 1 ASSI { 5236} (( segid " " and resid 132 and name HA )) (( segid " " and resid 132 and name HD2 )) 4.800 2.800 1.200 peak 5236 spectrum 1 weight 0.10000E+01 volume 0.58715E-03 ppm1 2.753 ppm2 3.552 CV 1 ASSI { 5237} (( segid " " and resid 132 and name HA )) (( segid " " and resid 132 and name HD3 )) 5.000 3.100 1.000 peak 5237 spectrum 1 weight 0.10000E+01 volume 0.51605E-03 ppm1 2.753 ppm2 3.162 CV 1 ASSI { 5238} (( segid " " and resid 132 and name HA )) (( segid " " and resid 132 and name HB2 )) 2.900 1.100 1.100 peak 5238 spectrum 1 weight 0.10000E+01 volume 0.30954E-02 ppm1 2.753 ppm2 1.693 CV 1 ASSI { 5239} (( segid " " and resid 132 and name HA )) (( segid " " and resid 132 and name HB3 )) 2.600 0.800 0.800 peak 5239 spectrum 1 weight 0.10000E+01 volume 0.21781E-02 ppm1 2.753 ppm2 1.589 CV 1 ASSI { 5241} (( segid " " and resid 132 and name HA )) (( segid " " and resid 132 and name HG3 )) 3.200 1.300 1.300 peak 5241 spectrum 1 weight 0.10000E+01 volume 0.22079E-02 ppm1 2.753 ppm2 1.342 CV 1 ASSI { 5243} (( segid " " and resid 132 and name HA )) ( segid " " and resid 135 and name HG2%) 3.300 1.400 1.400 peak 5243 spectrum 1 weight 0.10000E+01 volume 0.96861E-03 ppm1 2.753 ppm2 0.432 CV 1 ASSI { 5250} (( segid " " and resid 132 and name HG2 )) (( segid " " and resid 132 and name HA )) 2.900 1.100 1.100 peak 5250 spectrum 1 weight 0.10000E+01 volume 0.10581E-02 ppm1 1.748 ppm2 2.746 CV 1 ASSI { 5254} (( segid " " and resid 132 and name HG2 )) (( segid " " and resid 132 and name HG3 )) 2.100 0.500 0.500 peak 5254 spectrum 1 weight 0.10000E+01 volume 0.20642E-02 ppm1 1.748 ppm2 1.337 CV 1 ASSI { 5255} (( segid " " and resid 132 and name HG2 )) ( segid " " and resid 145 and name HD1%) 3.200 1.300 1.300 peak 5255 spectrum 1 weight 0.10000E+01 volume 0.96150E-03 ppm1 1.748 ppm2 -0.085 CV 1 ASSI { 5258} (( segid " " and resid 132 and name HG3 )) (( segid " " and resid 132 and name HD3 )) 3.100 1.200 1.200 peak 5258 spectrum 1 weight 0.10000E+01 volume 0.81784E-03 ppm1 1.338 ppm2 3.165 CV 1 ASSI { 5261} (( segid " " and resid 132 and name HD2 )) (( segid " " and resid 132 and name HH12)) 3.400 1.500 1.500 peak 5261 spectrum 1 weight 0.10000E+01 volume 0.10593E-02 ppm1 3.566 ppm2 6.243 CV 1 OR { 5261} (( segid " " and resid 132 and name HD2 )) (( segid " " and resid 132 and name HH11)) OR { 5261} (( segid " " and resid 132 and name HD2 )) (( segid " " and resid 132 and name HH22)) ASSI { 5263} (( segid " " and resid 132 and name HD3 )) (( segid " " and resid 132 and name HH12)) 3.500 1.500 1.500 peak 5263 spectrum 1 weight 0.10000E+01 volume 0.80532E-03 ppm1 3.172 ppm2 6.222 CV 1 OR { 5263} (( segid " " and resid 132 and name HD3 )) (( segid " " and resid 132 and name HH11)) OR { 5263} (( segid " " and resid 132 and name HD3 )) (( segid " " and resid 132 and name HH21)) ASSI { 5267} (( segid " " and resid 133 and name HA )) ( segid " " and resid 136 and name HD% ) 2.800 1.000 1.000 peak 5267 spectrum 1 weight 0.10000E+01 volume 0.20642E-02 ppm1 3.980 ppm2 7.140 CV 1 ASSI { 5271} (( segid " " and resid 3 and name HA )) (( segid " " and resid 3 and name HN )) 2.900 1.100 1.100 peak 5271 spectrum 1 weight 0.10000E+01 volume 0.19534E-02 ppm1 3.990 ppm2 8.443 CV 1 ASSI { 5272} (( segid " " and resid 4 and name HA )) (( segid " " and resid 5 and name HN )) 3.500 1.500 1.500 peak 5272 spectrum 1 weight 0.10000E+01 volume 0.10169E-02 ppm1 4.150 ppm2 7.426 CV 1 ASSI { 5274} (( segid " " and resid 3 and name HA )) (( segid " " and resid 3 and name HG3 )) 3.000 1.100 1.100 peak 5274 spectrum 1 weight 0.10000E+01 volume 0.17203E-02 ppm1 3.990 ppm2 2.488 CV 1 ASSI { 5275} (( segid " " and resid 3 and name HA )) (( segid " " and resid 3 and name HG2 )) 3.500 1.500 1.500 peak 5275 spectrum 1 weight 0.10000E+01 volume 0.17119E-02 ppm1 3.990 ppm2 2.845 CV 1 ASSI { 5276} (( segid " " and resid 3 and name HA )) (( segid " " and resid 6 and name HB2 )) 2.800 1.000 1.000 peak 5276 spectrum 1 weight 0.10000E+01 volume 0.21399E-02 ppm1 3.990 ppm2 2.249 CV 1 ASSI { 5280} (( segid " " and resid 133 and name HG3 )) (( segid " " and resid 134 and name HA )) 4.100 2.200 1.900 peak 5280 spectrum 1 weight 0.10000E+01 volume 0.12834E-02 ppm1 2.275 ppm2 4.451 CV 1 OR { 5280} (( segid " " and resid 133 and name HG2 )) (( segid " " and resid 134 and name HA )) ASSI { 5281} (( segid " " and resid 133 and name HG3 )) ( segid " " and resid 130 and name HB% ) 2.900 1.000 1.000 peak 5281 spectrum 1 weight 0.10000E+01 volume 0.41284E-02 ppm1 2.275 ppm2 1.354 CV 1 OR { 5281} (( segid " " and resid 133 and name HG2 )) ( segid " " and resid 130 and name HB% ) ASSI { 5284} (( segid " " and resid 134 and name HA )) (( segid " " and resid 134 and name HB2 )) 2.800 1.000 1.000 peak 5284 spectrum 1 weight 0.10000E+01 volume 0.39932E-02 ppm1 4.461 ppm2 2.909 CV 1 ASSI { 5285} (( segid " " and resid 134 and name HA )) (( segid " " and resid 134 and name HB3 )) 2.400 0.700 0.700 peak 5285 spectrum 1 weight 0.10000E+01 volume 0.49272E-02 ppm1 4.461 ppm2 2.455 CV 1 ASSI { 5286} (( segid " " and resid 134 and name HA )) (( segid " " and resid 137 and name HB3 )) 2.500 0.800 0.800 peak 5286 spectrum 1 weight 0.10000E+01 volume 0.55398E-02 ppm1 4.461 ppm2 1.891 CV 1 OR { 5286} (( segid " " and resid 134 and name HA )) (( segid " " and resid 137 and name HB2 )) ASSI { 5288} (( segid " " and resid 134 and name HB3 )) (( segid " " and resid 134 and name HB2 )) 1.600 0.300 0.600 peak 5288 spectrum 1 weight 0.10000E+01 volume 0.10360E-01 ppm1 2.454 ppm2 2.903 CV 1 ASSI { 5294} (( segid " " and resid 134 and name HB3 )) (( segid " " and resid 134 and name HD21)) 3.600 1.600 1.600 peak 5294 spectrum 1 weight 0.10000E+01 volume 0.15671E-02 ppm1 2.456 ppm2 7.330 CV 1 ASSI { 5295} (( segid " " and resid 134 and name HB3 )) (( segid " " and resid 134 and name HD22)) 4.300 2.300 1.700 peak 5295 spectrum 1 weight 0.10000E+01 volume 0.13042E-02 ppm1 2.456 ppm2 7.219 CV 1 ASSI { 5297} (( segid " " and resid 134 and name HB2 )) (( segid " " and resid 134 and name HD21)) 2.600 0.800 0.800 peak 5297 spectrum 1 weight 0.10000E+01 volume 0.16875E-02 ppm1 2.905 ppm2 7.323 CV 1 ASSI { 5299} (( segid " " and resid 134 and name HB2 )) (( segid " " and resid 131 and name HA )) 3.100 1.200 1.200 peak 5299 spectrum 1 weight 0.10000E+01 volume 0.10038E-02 ppm1 2.905 ppm2 4.059 CV 1 ASSI { 5308} (( segid " " and resid 135 and name HA )) (( segid " " and resid 138 and name HB2 )) 3.500 1.500 1.500 peak 5308 spectrum 1 weight 0.10000E+01 volume 0.22186E-02 ppm1 3.339 ppm2 1.777 CV 1 ASSI { 5309} (( segid " " and resid 135 and name HA )) (( segid " " and resid 138 and name HB3 )) 2.800 1.000 1.000 peak 5309 spectrum 1 weight 0.10000E+01 volume 0.25321E-02 ppm1 3.339 ppm2 1.677 CV 1 OR { 5309} (( segid " " and resid 135 and name HA )) (( segid " " and resid 138 and name HG )) ASSI { 5310} (( segid " " and resid 135 and name HA )) (( segid " " and resid 135 and name HB )) 3.000 1.100 1.100 peak 5310 spectrum 1 weight 0.10000E+01 volume 0.22782E-02 ppm1 3.339 ppm2 1.468 CV 1 ASSI { 5312} (( segid " " and resid 135 and name HA )) ( segid " " and resid 135 and name HG1%) 2.400 0.700 0.700 peak 5312 spectrum 1 weight 0.10000E+01 volume 0.86670E-02 ppm1 3.339 ppm2 0.693 CV 1 ASSI { 5315} (( segid " " and resid 135 and name HB )) (( segid " " and resid 132 and name HA )) 3.100 1.200 1.200 peak 5315 spectrum 1 weight 0.10000E+01 volume 0.10729E-02 ppm1 1.467 ppm2 2.751 CV 1 ASSI { 5318} (( segid " " and resid 135 and name HB )) ( segid " " and resid 145 and name HD1%) 2.400 0.700 0.700 peak 5318 spectrum 1 weight 0.10000E+01 volume 0.37601E-02 ppm1 1.467 ppm2 -0.081 CV 1 ASSI { 5319} ( segid " " and resid 135 and name HG2%) ( segid " " and resid 145 and name HD1%) 2.700 0.900 0.900 peak 5319 spectrum 1 weight 0.10000E+01 volume 0.69263E-02 ppm1 0.442 ppm2 -0.074 CV 1 ASSI { 5321} ( segid " " and resid 135 and name HG2%) (( segid " " and resid 135 and name HB )) 2.100 0.600 0.600 peak 5321 spectrum 1 weight 0.10000E+01 volume 0.10449E-01 ppm1 0.442 ppm2 1.473 CV 1 ASSI { 5327} ( segid " " and resid 135 and name HG2%) (( segid " " and resid 134 and name HB2 )) 4.100 2.100 1.900 peak 5327 spectrum 1 weight 0.10000E+01 volume 0.48694E-03 ppm1 0.442 ppm2 2.897 CV 1 ASSI { 5329} ( segid " " and resid 135 and name HG2%) (( segid " " and resid 136 and name HA )) 4.400 2.400 1.600 peak 5329 spectrum 1 weight 0.10000E+01 volume 0.10187E-02 ppm1 0.442 ppm2 4.274 CV 1 ASSI { 5330} ( segid " " and resid 135 and name HG2%) ( segid " " and resid 136 and name HD% ) 4.600 2.700 1.400 peak 5330 spectrum 1 weight 0.10000E+01 volume 0.81303E-03 ppm1 0.442 ppm2 7.145 CV 1 OR { 5330} ( segid " " and resid 135 and name HG2%) ( segid " " and resid 136 and name HE% ) ASSI { 5333} ( segid " " and resid 135 and name HG2%) (( segid " " and resid 136 and name HN )) 3.900 1.900 1.900 peak 5333 spectrum 1 weight 0.10000E+01 volume 0.20642E-02 ppm1 0.442 ppm2 8.152 CV 1 ASSI { 5336} ( segid " " and resid 135 and name HG1%) ( segid " " and resid 135 and name HG2%) 2.100 0.500 0.500 peak 5336 spectrum 1 weight 0.10000E+01 volume 0.18163E-01 ppm1 0.691 ppm2 0.442 CV 1 ASSI { 5337} ( segid " " and resid 135 and name HG1%) ( segid " " and resid 145 and name HD1%) 2.800 1.000 1.000 peak 5337 spectrum 1 weight 0.10000E+01 volume 0.47352E-02 ppm1 0.691 ppm2 -0.074 CV 1 ASSI { 5338} ( segid " " and resid 135 and name HG1%) (( segid " " and resid 135 and name HB )) 2.100 0.500 0.500 peak 5338 spectrum 1 weight 0.10000E+01 volume 0.11921E-01 ppm1 0.691 ppm2 1.474 CV 1 ASSI { 5341} ( segid " " and resid 135 and name HG1%) (( segid " " and resid 134 and name HB3 )) 4.600 2.600 1.400 peak 5341 spectrum 1 weight 0.10000E+01 volume 0.10050E-02 ppm1 0.691 ppm2 2.439 CV 1 ASSI { 5342} ( segid " " and resid 135 and name HG1%) (( segid " " and resid 132 and name HA )) 4.000 2.000 2.000 peak 5342 spectrum 1 weight 0.10000E+01 volume 0.16261E-02 ppm1 0.691 ppm2 2.754 CV 1 ASSI { 5343} ( segid " " and resid 135 and name HG1%) (( segid " " and resid 134 and name HB2 )) 4.500 2.500 1.500 peak 5343 spectrum 1 weight 0.10000E+01 volume 0.10711E-02 ppm1 0.691 ppm2 2.898 CV 1 ASSI { 5348} ( segid " " and resid 135 and name HG1%) (( segid " " and resid 136 and name HN )) 3.300 1.400 1.400 peak 5348 spectrum 1 weight 0.10000E+01 volume 0.23432E-02 ppm1 0.691 ppm2 8.144 CV 1 ASSI { 5349} ( segid " " and resid 135 and name HG1%) (( segid " " and resid 135 and name HN )) 3.100 1.200 1.200 peak 5349 spectrum 1 weight 0.10000E+01 volume 0.95193E-02 ppm1 0.691 ppm2 8.383 CV 1 ASSI { 5350} ( segid " " and resid 135 and name HG1%) (( segid " " and resid 134 and name HN )) 4.700 2.800 1.300 peak 5350 spectrum 1 weight 0.10000E+01 volume 0.13120E-02 ppm1 0.691 ppm2 8.603 CV 1 ASSI { 5351} (( segid " " and resid 26 and name HB3 )) (( segid " " and resid 26 and name HN )) 4.000 2.000 2.000 peak 5351 spectrum 1 weight 0.10000E+01 volume 0.12875E-02 ppm1 2.970 ppm2 8.766 CV 1 ASSI { 5355} (( segid " " and resid 137 and name HA )) (( segid " " and resid 138 and name HN )) 3.500 1.600 1.600 peak 5355 spectrum 1 weight 0.10000E+01 volume 0.11159E-02 ppm1 4.060 ppm2 7.496 CV 1 ASSI { 5359} (( segid " " and resid 137 and name HA )) (( segid " " and resid 137 and name HG3 )) 2.700 0.900 0.900 peak 5359 spectrum 1 weight 0.10000E+01 volume 0.29387E-02 ppm1 4.061 ppm2 1.427 CV 1 ASSI { 5360} (( segid " " and resid 137 and name HG2 )) (( segid " " and resid 137 and name HG3 )) 1.400 0.300 0.800 peak 5360 spectrum 1 weight 0.10000E+01 volume 0.29649E-01 ppm1 1.582 ppm2 1.427 CV 1 ASSI { 5361} (( segid " " and resid 137 and name HG2 )) (( segid " " and resid 137 and name HE2 )) 3.000 1.100 1.100 peak 5361 spectrum 1 weight 0.10000E+01 volume 0.24982E-02 ppm1 1.582 ppm2 2.957 CV 1 OR { 5361} (( segid " " and resid 137 and name HG2 )) (( segid " " and resid 137 and name HE3 )) ASSI { 5362} (( segid " " and resid 137 and name HG2 )) (( segid " " and resid 137 and name HA )) 3.100 1.200 1.200 peak 5362 spectrum 1 weight 0.10000E+01 volume 0.33178E-02 ppm1 1.582 ppm2 4.062 CV 1 ASSI { 5363} (( segid " " and resid 137 and name HG2 )) (( segid " " and resid 134 and name HA )) 4.400 2.400 1.600 peak 5363 spectrum 1 weight 0.10000E+01 volume 0.66286E-03 ppm1 1.582 ppm2 4.462 CV 1 ASSI { 5365} (( segid " " and resid 137 and name HB3 )) (( segid " " and resid 137 and name HE3 )) 3.900 1.900 1.900 peak 5365 spectrum 1 weight 0.10000E+01 volume 0.14979E-02 ppm1 1.890 ppm2 2.959 CV 1 OR { 5365} (( segid " " and resid 137 and name HB2 )) (( segid " " and resid 137 and name HE3 )) OR { 5365} (( segid " " and resid 137 and name HB2 )) (( segid " " and resid 137 and name HE2 )) OR { 5365} (( segid " " and resid 137 and name HB3 )) (( segid " " and resid 137 and name HE2 )) ASSI { 5366} (( segid " " and resid 137 and name HG3 )) (( segid " " and resid 137 and name HN )) 3.900 1.900 1.900 peak 5366 spectrum 1 weight 0.10000E+01 volume 0.11635E-02 ppm1 1.425 ppm2 7.573 CV 1 ASSI { 5368} (( segid " " and resid 137 and name HD3 )) (( segid " " and resid 137 and name HN )) 3.800 1.800 1.800 peak 5368 spectrum 1 weight 0.10000E+01 volume 0.14729E-02 ppm1 1.690 ppm2 7.573 CV 1 OR { 5368} (( segid " " and resid 137 and name HD2 )) (( segid " " and resid 137 and name HN )) ASSI { 5369} (( segid " " and resid 137 and name HG3 )) (( segid " " and resid 137 and name HE2 )) 3.000 1.100 1.100 peak 5369 spectrum 1 weight 0.10000E+01 volume 0.29923E-02 ppm1 1.425 ppm2 2.960 CV 1 OR { 5369} (( segid " " and resid 137 and name HG3 )) (( segid " " and resid 137 and name HE3 )) ASSI { 5371} ( segid " " and resid 138 and name HD1%) (( segid " " and resid 138 and name HA )) 2.900 1.100 1.100 peak 5371 spectrum 1 weight 0.10000E+01 volume 0.35491E-02 ppm1 0.802 ppm2 4.076 CV 1 ASSI { 5375} ( segid " " and resid 138 and name HD1%) (( segid " " and resid 139 and name HN )) 4.300 2.300 1.700 peak 5375 spectrum 1 weight 0.10000E+01 volume 0.13007E-02 ppm1 0.802 ppm2 7.914 CV 1 ASSI { 5380} (( segid " " and resid 139 and name HB3 )) (( segid " " and resid 139 and name HG )) 3.300 1.400 1.400 peak 5380 spectrum 1 weight 0.10000E+01 volume 0.14538E-02 ppm1 1.009 ppm2 1.460 CV 1 ASSI { 5381} (( segid " " and resid 139 and name HB3 )) (( segid " " and resid 139 and name HB2 )) 1.900 0.400 0.400 peak 5381 spectrum 1 weight 0.10000E+01 volume 0.49272E-02 ppm1 1.009 ppm2 1.911 CV 1 ASSI { 5388} ( segid " " and resid 139 and name HD1%) ( segid " " and resid 135 and name HG2%) 2.000 2.000 4.000 peak 5388 spectrum 1 weight 0.10000E+01 volume 0.74449E-02 ppm1 0.643 ppm2 0.441 CV 1 ASSI { 5389} ( segid " " and resid 139 and name HD1%) (( segid " " and resid 139 and name HB3 )) 2.400 0.700 0.700 peak 5389 spectrum 1 weight 0.10000E+01 volume 0.58775E-02 ppm1 0.643 ppm2 1.009 CV 1 ASSI { 5390} ( segid " " and resid 139 and name HD1%) (( segid " " and resid 139 and name HG )) 2.100 0.600 0.600 peak 5390 spectrum 1 weight 0.10000E+01 volume 0.94717E-02 ppm1 0.643 ppm2 1.460 CV 1 ASSI { 5391} ( segid " " and resid 139 and name HD1%) (( segid " " and resid 109 and name HG )) 3.500 1.500 1.500 peak 5391 spectrum 1 weight 0.10000E+01 volume 0.23110E-02 ppm1 0.643 ppm2 1.760 CV 1 ASSI { 5392} ( segid " " and resid 139 and name HD1%) (( segid " " and resid 138 and name HB3 )) 3.200 1.300 1.300 peak 5392 spectrum 1 weight 0.10000E+01 volume 0.24517E-02 ppm1 0.643 ppm2 1.689 CV 1 OR { 5392} ( segid " " and resid 139 and name HD1%) (( segid " " and resid 138 and name HG )) ASSI { 5393} ( segid " " and resid 139 and name HD1%) (( segid " " and resid 139 and name HB2 )) 2.400 0.700 0.700 peak 5393 spectrum 1 weight 0.10000E+01 volume 0.68130E-02 ppm1 0.643 ppm2 1.910 CV 1 ASSI { 5394} ( segid " " and resid 139 and name HD1%) (( segid " " and resid 109 and name HB2 )) 2.300 0.600 0.600 peak 5394 spectrum 1 weight 0.10000E+01 volume 0.52487E-02 ppm1 0.643 ppm2 2.147 CV 1 ASSI { 5397} ( segid " " and resid 139 and name HD1%) (( segid " " and resid 139 and name HA )) 3.900 1.900 1.900 peak 5397 spectrum 1 weight 0.10000E+01 volume 0.17447E-02 ppm1 0.643 ppm2 4.892 CV 1 ASSI { 5398} ( segid " " and resid 139 and name HD1%) (( segid " " and resid 142 and name HN )) 3.800 1.800 1.800 peak 5398 spectrum 1 weight 0.10000E+01 volume 0.96150E-03 ppm1 0.643 ppm2 7.517 CV 1 ASSI { 5400} ( segid " " and resid 139 and name HD1%) (( segid " " and resid 109 and name HN )) 4.300 2.300 1.700 peak 5400 spectrum 1 weight 0.10000E+01 volume 0.97934E-03 ppm1 0.643 ppm2 8.107 CV 1 ASSI { 5401} ( segid " " and resid 139 and name HD1%) (( segid " " and resid 110 and name HN )) 4.300 2.300 1.700 peak 5401 spectrum 1 weight 0.10000E+01 volume 0.57157E-03 ppm1 0.643 ppm2 8.319 CV 1 ASSI { 5402} ( segid " " and resid 139 and name HD2%) (( segid " " and resid 109 and name HB2 )) 2.200 0.600 0.600 peak 5402 spectrum 1 weight 0.10000E+01 volume 0.67058E-02 ppm1 0.742 ppm2 2.167 CV 1 ASSI { 5405} ( segid " " and resid 139 and name HD2%) (( segid " " and resid 139 and name HA )) 2.100 0.500 0.500 peak 5405 spectrum 1 weight 0.10000E+01 volume 0.88519E-02 ppm1 0.742 ppm2 4.888 CV 1 ASSI { 5406} (( segid " " and resid 139 and name HG )) (( segid " " and resid 139 and name HA )) 3.500 1.600 1.600 peak 5406 spectrum 1 weight 0.10000E+01 volume 0.87086E-03 ppm1 1.456 ppm2 4.888 CV 1 ASSI { 5407} (( segid " " and resid 139 and name HG )) ( segid " " and resid 135 and name HG2%) 2.800 2.800 3.200 peak 5407 spectrum 1 weight 0.10000E+01 volume 0.10622E-02 ppm1 1.456 ppm2 0.438 CV 1 ASSI { 5409} (( segid " " and resid 139 and name HG )) ( segid " " and resid 139 and name HD2%) 2.400 0.700 0.700 peak 5409 spectrum 1 weight 0.10000E+01 volume 0.44539E-02 ppm1 1.456 ppm2 0.753 CV 1 ASSI { 5410} (( segid " " and resid 139 and name HG )) (( segid " " and resid 139 and name HB2 )) 2.600 0.800 0.800 peak 5410 spectrum 1 weight 0.10000E+01 volume 0.22269E-02 ppm1 1.456 ppm2 1.911 CV 1 ASSI { 5411} ( segid " " and resid 139 and name HD2%) (( segid " " and resid 139 and name HN )) 3.300 1.400 1.400 peak 5411 spectrum 1 weight 0.10000E+01 volume 0.25017E-02 ppm1 0.742 ppm2 7.919 CV 1 ASSI { 5412} ( segid " " and resid 139 and name HD2%) (( segid " " and resid 109 and name HN )) 3.400 1.400 1.400 peak 5412 spectrum 1 weight 0.10000E+01 volume 0.22728E-02 ppm1 0.743 ppm2 8.109 CV 1 ASSI { 5413} (( segid " " and resid 139 and name HG )) (( segid " " and resid 139 and name HN )) 2.700 0.900 0.900 peak 5413 spectrum 1 weight 0.10000E+01 volume 0.23354E-02 ppm1 1.456 ppm2 7.919 CV 1 ASSI { 5414} (( segid " " and resid 139 and name HG )) (( segid " " and resid 138 and name HN )) 4.700 2.800 1.300 peak 5414 spectrum 1 weight 0.10000E+01 volume 0.56616E-03 ppm1 1.456 ppm2 7.513 CV 1 ASSI { 5415} ( segid " " and resid 139 and name HD2%) (( segid " " and resid 141 and name HE22)) 2.800 1.000 1.000 peak 5415 spectrum 1 weight 0.10000E+01 volume 0.24290E-02 ppm1 0.742 ppm2 6.025 CV 1 ASSI { 5417} ( segid " " and resid 139 and name HD2%) (( segid " " and resid 141 and name HE21)) 3.100 1.200 1.200 peak 5417 spectrum 1 weight 0.10000E+01 volume 0.22997E-02 ppm1 0.742 ppm2 7.607 CV 1 ASSI { 5418} ( segid " " and resid 139 and name HD2%) (( segid " " and resid 110 and name HN )) 2.500 0.800 0.800 peak 5418 spectrum 1 weight 0.10000E+01 volume 0.49421E-02 ppm1 0.742 ppm2 8.312 CV 1 ASSI { 5419} ( segid " " and resid 95 and name HD2%) (( segid " " and resid 98 and name HB2 )) 3.500 1.500 1.500 peak 5419 spectrum 1 weight 0.10000E+01 volume 0.11379E-02 ppm1 0.742 ppm2 3.029 CV 1 ASSI { 5420} ( segid " " and resid 139 and name HD2%) (( segid " " and resid 140 and name HD3 )) 4.500 2.500 1.500 peak 5420 spectrum 1 weight 0.10000E+01 volume 0.11785E-02 ppm1 0.742 ppm2 3.448 CV 1 ASSI { 5429} (( segid " " and resid 141 and name HB3 )) (( segid " " and resid 141 and name HN )) 3.200 1.300 1.300 peak 5429 spectrum 1 weight 0.10000E+01 volume 0.17364E-02 ppm1 1.908 ppm2 9.991 CV 1 ASSI { 5431} ( segid " " and resid 142 and name HG1%) (( segid " " and resid 141 and name HN )) 4.100 2.100 1.900 peak 5431 spectrum 1 weight 0.10000E+01 volume 0.14175E-02 ppm1 0.751 ppm2 10.000 CV 1 ASSI { 5438} ( segid " " and resid 142 and name HG2%) (( segid " " and resid 136 and name HZ )) 3.200 1.300 1.300 peak 5438 spectrum 1 weight 0.10000E+01 volume 0.30227E-02 ppm1 0.725 ppm2 6.928 CV 1 ASSI { 5439} ( segid " " and resid 142 and name HG2%) ( segid " " and resid 136 and name HE% ) 3.000 1.100 1.100 peak 5439 spectrum 1 weight 0.10000E+01 volume 0.22836E-02 ppm1 0.725 ppm2 7.136 CV 1 OR { 5439} ( segid " " and resid 142 and name HG2%) ( segid " " and resid 136 and name HD% ) ASSI { 5440} ( segid " " and resid 142 and name HG2%) (( segid " " and resid 142 and name HN )) 2.700 0.900 0.900 peak 5440 spectrum 1 weight 0.10000E+01 volume 0.27933E-02 ppm1 0.725 ppm2 7.535 CV 1 ASSI { 5442} ( segid " " and resid 142 and name HG2%) (( segid " " and resid 118 and name HN )) 3.200 1.300 1.300 peak 5442 spectrum 1 weight 0.10000E+01 volume 0.33756E-02 ppm1 0.725 ppm2 8.438 CV 1 ASSI { 5443} ( segid " " and resid 142 and name HG2%) (( segid " " and resid 143 and name HN )) 3.300 1.400 1.400 peak 5443 spectrum 1 weight 0.10000E+01 volume 0.43019E-02 ppm1 0.725 ppm2 8.594 CV 1 ASSI { 5445} ( segid " " and resid 142 and name HG2%) (( segid " " and resid 117 and name HA )) 3.500 1.500 1.500 peak 5445 spectrum 1 weight 0.10000E+01 volume 0.23057E-02 ppm1 0.725 ppm2 5.799 CV 1 ASSI { 5450} (( segid " " and resid 54 and name HA )) (( segid " " and resid 56 and name HN )) 4.300 2.300 1.700 peak 5450 spectrum 1 weight 0.10000E+01 volume 0.57563E-03 ppm1 4.078 ppm2 7.691 CV 1 ASSI { 5457} ( segid " " and resid 138 and name HD1%) (( segid " " and resid 138 and name HG )) 2.000 0.500 0.500 peak 5457 spectrum 1 weight 0.10000E+01 volume 0.20291E-01 ppm1 0.802 ppm2 1.685 CV 1 OR { 5457} ( segid " " and resid 138 and name HD1%) (( segid " " and resid 138 and name HB3 )) ASSI { 5461} ( segid " " and resid 66 and name HD2%) (( segid " " and resid 45 and name HA )) 3.200 1.300 1.300 peak 5461 spectrum 1 weight 0.10000E+01 volume 0.39824E-02 ppm1 0.764 ppm2 5.121 CV 1 ASSI { 5464} (( segid " " and resid 157 and name HB2 )) (( segid " " and resid 158 and name HN )) 3.800 1.800 1.800 peak 5464 spectrum 1 weight 0.10000E+01 volume 0.18717E-02 ppm1 2.610 ppm2 7.950 CV 1 OR { 5464} (( segid " " and resid 157 and name HB3 )) (( segid " " and resid 158 and name HN )) ASSI { 5466} (( segid " " and resid 157 and name HA )) (( segid " " and resid 157 and name HN )) 2.600 0.800 0.800 peak 5466 spectrum 1 weight 0.10000E+01 volume 0.69683E-02 ppm1 4.393 ppm2 8.295 CV 1 ASSI { 5467} (( segid " " and resid 158 and name HA )) (( segid " " and resid 160 and name HN )) 4.000 2.000 2.000 peak 5467 spectrum 1 weight 0.10000E+01 volume 0.10849E-02 ppm1 4.280 ppm2 7.801 CV 1 ASSI { 5471} ( segid " " and resid 142 and name HG1%) (( segid " " and resid 143 and name HN )) 3.900 1.900 1.900 peak 5471 spectrum 1 weight 0.10000E+01 volume 0.22812E-02 ppm1 0.751 ppm2 8.608 CV 1 ASSI { 5474} ( segid " " and resid 95 and name HD2%) (( segid " " and resid 98 and name HD22)) 3.600 1.600 1.600 peak 5474 spectrum 1 weight 0.10000E+01 volume 0.11993E-02 ppm1 0.747 ppm2 6.303 CV 1 ASSI { 5475} ( segid " " and resid 142 and name HG1%) (( segid " " and resid 141 and name HE22)) 2.800 2.800 3.200 peak 5475 spectrum 1 weight 0.10000E+01 volume 0.11284E-02 ppm1 0.751 ppm2 6.023 CV 1 ASSI { 5477} ( segid " " and resid 142 and name HG1%) (( segid " " and resid 118 and name HN )) 3.700 1.700 1.700 peak 5477 spectrum 1 weight 0.10000E+01 volume 0.77310E-03 ppm1 0.751 ppm2 8.460 CV 1 ASSI { 5483} (( segid " " and resid 143 and name HG3 )) ( segid " " and resid 144 and name HE% ) 4.000 2.000 2.000 peak 5483 spectrum 1 weight 0.10000E+01 volume 0.11338E-02 ppm1 2.141 ppm2 6.830 CV 1 OR { 5483} (( segid " " and resid 143 and name HG3 )) ( segid " " and resid 144 and name HD% ) ASSI { 5485} ( segid " " and resid 143 and name HE% ) (( segid " " and resid 143 and name HA )) 4.300 2.300 1.700 peak 5485 spectrum 1 weight 0.10000E+01 volume 0.88458E-03 ppm1 2.039 ppm2 4.343 CV 1 ASSI { 5486} ( segid " " and resid 143 and name HE% ) ( segid " " and resid 144 and name HE% ) 3.300 1.300 1.300 peak 5486 spectrum 1 weight 0.10000E+01 volume 0.27199E-02 ppm1 2.039 ppm2 6.830 CV 1 OR { 5486} ( segid " " and resid 143 and name HE% ) ( segid " " and resid 144 and name HD% ) ASSI { 5496} (( segid " " and resid 151 and name HB2 )) (( segid " " and resid 153 and name HN )) 3.800 1.800 1.800 peak 5496 spectrum 1 weight 0.10000E+01 volume 0.58104E-03 ppm1 2.893 ppm2 8.793 CV 1 ASSI { 27} ( segid " " and resid 8 and name HE% ) (( segid " " and resid 8 and name HB3 )) 3.900 1.900 1.900 peak 27 spectrum 1 weight 0.10000E+01 volume 0.25935E-02 ppm1 6.865 ppm2 3.217 CV 1 OR { 27} ( segid " " and resid 8 and name HE% ) (( segid " " and resid 8 and name HB2 )) ASSI { 30} ( segid " " and resid 8 and name HD% ) (( segid " " and resid 8 and name HN )) 4.200 2.200 1.800 peak 30 spectrum 1 weight 0.10000E+01 volume 0.18022E-02 ppm1 7.172 ppm2 7.696 CV 1 ASSI { 31} ( segid " " and resid 8 and name HD% ) (( segid " " and resid 9 and name HN )) 3.600 1.600 1.600 peak 31 spectrum 1 weight 0.10000E+01 volume 0.12893E-02 ppm1 7.172 ppm2 8.074 CV 1 ASSI { 32} ( segid " " and resid 8 and name HD% ) (( segid " " and resid 8 and name HA )) 2.500 0.800 0.800 peak 32 spectrum 1 weight 0.10000E+01 volume 0.73827E-02 ppm1 7.172 ppm2 4.201 CV 1 ASSI { 33} ( segid " " and resid 8 and name HD% ) (( segid " " and resid 9 and name HA )) 2.800 1.000 1.000 peak 33 spectrum 1 weight 0.10000E+01 volume 0.28459E-02 ppm1 7.172 ppm2 4.110 CV 1 ASSI { 34} ( segid " " and resid 8 and name HD% ) (( segid " " and resid 8 and name HB3 )) 2.200 0.600 0.600 peak 34 spectrum 1 weight 0.10000E+01 volume 0.11891E-01 ppm1 7.172 ppm2 3.217 CV 1 OR { 34} ( segid " " and resid 8 and name HD% ) (( segid " " and resid 8 and name HB2 )) ASSI { 38} ( segid " " and resid 8 and name HD% ) ( segid " " and resid 11 and name HD2%) 4.500 2.600 1.500 peak 38 spectrum 1 weight 0.10000E+01 volume 0.11342E-02 ppm1 7.172 ppm2 0.829 CV 1 ASSI { 39} ( segid " " and resid 8 and name HD% ) (( segid " " and resid 5 and name HD2 )) 2.900 2.900 3.100 peak 39 spectrum 1 weight 0.10000E+01 volume 0.92708E-03 ppm1 7.172 ppm2 1.734 CV 1 OR { 39} ( segid " " and resid 8 and name HD% ) (( segid " " and resid 5 and name HD3 )) ASSI { 41} (( segid " " and resid 41 and name HZ )) ( segid " " and resid 11 and name HD2%) 3.200 1.300 1.300 peak 41 spectrum 1 weight 0.10000E+01 volume 0.14140E-02 ppm1 7.242 ppm2 0.795 CV 1 ASSI { 42} ( segid " " and resid 41 and name HD% ) (( segid " " and resid 40 and name HN )) 3.700 1.700 1.700 peak 42 spectrum 1 weight 0.10000E+01 volume 0.11357E-02 ppm1 7.494 ppm2 8.361 CV 1 ASSI { 45} ( segid " " and resid 41 and name HD% ) (( segid " " and resid 37 and name HA )) 3.100 1.200 1.200 peak 45 spectrum 1 weight 0.10000E+01 volume 0.27575E-02 ppm1 7.494 ppm2 4.280 CV 1 ASSI { 46} ( segid " " and resid 41 and name HD% ) (( segid " " and resid 41 and name HB2 )) 2.600 0.900 0.900 peak 46 spectrum 1 weight 0.10000E+01 volume 0.33305E-02 ppm1 7.494 ppm2 3.270 CV 1 ASSI { 47} ( segid " " and resid 41 and name HD% ) (( segid " " and resid 41 and name HB3 )) 2.400 0.700 0.700 peak 47 spectrum 1 weight 0.10000E+01 volume 0.31071E-02 ppm1 7.494 ppm2 2.961 CV 1 ASSI { 48} ( segid " " and resid 41 and name HD% ) (( segid " " and resid 19 and name HB )) 2.800 1.000 1.000 peak 48 spectrum 1 weight 0.10000E+01 volume 0.19670E-02 ppm1 7.494 ppm2 2.296 CV 1 ASSI { 54} ( segid " " and resid 41 and name HD% ) ( segid " " and resid 44 and name HD1%) 2.700 0.900 0.900 peak 54 spectrum 1 weight 0.10000E+01 volume 0.32638E-02 ppm1 7.494 ppm2 0.817 CV 1 OR { 54} ( segid " " and resid 41 and name HD% ) ( segid " " and resid 44 and name HD2%) ASSI { 56} ( segid " " and resid 41 and name HD% ) ( segid " " and resid 37 and name HD2%) 3.500 1.600 1.600 peak 56 spectrum 1 weight 0.10000E+01 volume 0.17577E-02 ppm1 7.494 ppm2 0.236 CV 1 OR { 56} ( segid " " and resid 41 and name HD% ) ( segid " " and resid 37 and name HD1%) ASSI { 58} ( segid " " and resid 41 and name HE% ) (( segid " " and resid 37 and name HA )) 3.100 1.200 1.200 peak 58 spectrum 1 weight 0.10000E+01 volume 0.15729E-02 ppm1 7.351 ppm2 4.267 CV 1 ASSI { 59} ( segid " " and resid 41 and name HE% ) (( segid " " and resid 16 and name HA )) 3.400 1.500 1.500 peak 59 spectrum 1 weight 0.10000E+01 volume 0.99241E-03 ppm1 7.351 ppm2 3.440 CV 1 ASSI { 64} ( segid " " and resid 41 and name HE% ) ( segid " " and resid 37 and name HD1%) 2.900 1.000 1.000 peak 64 spectrum 1 weight 0.10000E+01 volume 0.84320E-03 ppm1 7.351 ppm2 0.227 CV 1 OR { 64} ( segid " " and resid 41 and name HE% ) ( segid " " and resid 37 and name HD2%) ASSI { 65} (( segid " " and resid 46 and name HZ )) (( segid " " and resid 48 and name HB3 )) 4.100 2.100 1.900 peak 65 spectrum 1 weight 0.10000E+01 volume 0.13213E-02 ppm1 7.363 ppm2 3.310 CV 1 ASSI { 66} ( segid " " and resid 46 and name HD% ) (( segid " " and resid 47 and name HN )) 3.000 1.100 1.100 peak 66 spectrum 1 weight 0.10000E+01 volume 0.27404E-02 ppm1 7.188 ppm2 7.936 CV 1 ASSI { 68} ( segid " " and resid 46 and name HD% ) (( segid " " and resid 46 and name HA )) 2.600 0.800 0.800 peak 68 spectrum 1 weight 0.10000E+01 volume 0.32341E-02 ppm1 7.188 ppm2 5.805 CV 1 ASSI { 70} ( segid " " and resid 46 and name HD% ) (( segid " " and resid 46 and name HB2 )) 2.900 1.100 1.100 peak 70 spectrum 1 weight 0.10000E+01 volume 0.22921E-02 ppm1 7.188 ppm2 3.267 CV 1 ASSI { 71} ( segid " " and resid 46 and name HD% ) (( segid " " and resid 46 and name HB3 )) 2.700 0.900 0.900 peak 71 spectrum 1 weight 0.10000E+01 volume 0.20865E-02 ppm1 7.188 ppm2 2.870 CV 1 ASSI { 72} ( segid " " and resid 46 and name HD% ) (( segid " " and resid 68 and name HE2 )) 3.200 1.300 1.300 peak 72 spectrum 1 weight 0.10000E+01 volume 0.21400E-02 ppm1 7.188 ppm2 2.513 CV 1 ASSI { 74} ( segid " " and resid 46 and name HD% ) (( segid " " and resid 21 and name HB2 )) 3.500 1.500 1.500 peak 74 spectrum 1 weight 0.10000E+01 volume 0.29980E-02 ppm1 7.188 ppm2 2.131 CV 1 ASSI { 75} ( segid " " and resid 46 and name HD% ) (( segid " " and resid 68 and name HB2 )) 2.600 0.900 0.900 peak 75 spectrum 1 weight 0.10000E+01 volume 0.18237E-02 ppm1 7.188 ppm2 1.882 CV 1 ASSI { 76} ( segid " " and resid 46 and name HD% ) (( segid " " and resid 68 and name HB3 )) 3.500 1.500 1.500 peak 76 spectrum 1 weight 0.10000E+01 volume 0.14289E-02 ppm1 7.188 ppm2 1.740 CV 1 ASSI { 77} ( segid " " and resid 46 and name HD% ) (( segid " " and resid 68 and name HD2 )) 3.200 1.300 1.300 peak 77 spectrum 1 weight 0.10000E+01 volume 0.21429E-02 ppm1 7.188 ppm2 1.333 CV 1 OR { 77} ( segid " " and resid 46 and name HD% ) (( segid " " and resid 68 and name HG2 )) ASSI { 78} ( segid " " and resid 46 and name HD% ) (( segid " " and resid 68 and name HG3 )) 3.400 1.500 1.500 peak 78 spectrum 1 weight 0.10000E+01 volume 0.24770E-02 ppm1 7.188 ppm2 1.184 CV 1 ASSI { 82} (( segid " " and resid 92 and name HD2 )) (( segid " " and resid 92 and name HA )) 3.600 1.600 1.600 peak 82 spectrum 1 weight 0.10000E+01 volume 0.11654E-02 ppm1 6.838 ppm2 5.669 CV 1 ASSI { 84} (( segid " " and resid 92 and name HD2 )) (( segid " " and resid 92 and name HB3 )) 3.000 1.100 1.100 peak 84 spectrum 1 weight 0.10000E+01 volume 0.14504E-02 ppm1 6.838 ppm2 3.016 CV 1 ASSI { 85} (( segid " " and resid 92 and name HD2 )) (( segid " " and resid 92 and name HB2 )) 3.800 1.800 1.800 peak 85 spectrum 1 weight 0.10000E+01 volume 0.11876E-02 ppm1 6.838 ppm2 3.123 CV 1 ASSI { 86} (( segid " " and resid 92 and name HD2 )) (( segid " " and resid 68 and name HB3 )) 2.900 1.000 1.000 peak 86 spectrum 1 weight 0.10000E+01 volume 0.22357E-02 ppm1 6.838 ppm2 1.770 CV 1 ASSI { 89} ( segid " " and resid 121 and name HD% ) (( segid " " and resid 121 and name HA )) 3.300 1.300 1.300 peak 89 spectrum 1 weight 0.10000E+01 volume 0.23641E-02 ppm1 7.442 ppm2 4.214 CV 1 ASSI { 90} ( segid " " and resid 121 and name HD% ) (( segid " " and resid 121 and name HB2 )) 2.900 1.100 1.100 peak 90 spectrum 1 weight 0.10000E+01 volume 0.26774E-02 ppm1 7.442 ppm2 3.140 CV 1 ASSI { 91} ( segid " " and resid 121 and name HD% ) (( segid " " and resid 121 and name HB3 )) 2.700 0.900 0.900 peak 91 spectrum 1 weight 0.10000E+01 volume 0.35288E-02 ppm1 7.442 ppm2 3.042 CV 1 ASSI { 92} ( segid " " and resid 121 and name HD% ) (( segid " " and resid 119 and name HB2 )) 3.300 1.400 1.400 peak 92 spectrum 1 weight 0.10000E+01 volume 0.19403E-02 ppm1 7.442 ppm2 2.808 CV 1 ASSI { 93} ( segid " " and resid 121 and name HD% ) (( segid " " and resid 119 and name HB3 )) 3.100 1.200 1.200 peak 93 spectrum 1 weight 0.10000E+01 volume 0.16144E-02 ppm1 7.442 ppm2 2.652 CV 1 ASSI { 94} ( segid " " and resid 163 and name HE% ) (( segid " " and resid 163 and name HA )) 2.600 2.600 3.400 peak 94 spectrum 1 weight 0.10000E+01 volume 0.15514E-02 ppm1 6.757 ppm2 4.537 CV 1 ASSI { 96} ( segid " " and resid 163 and name HE% ) (( segid " " and resid 163 and name HB2 )) 4.200 2.200 1.800 peak 96 spectrum 1 weight 0.10000E+01 volume 0.20598E-02 ppm1 6.757 ppm2 2.991 CV 1 ASSI { 97} ( segid " " and resid 163 and name HE% ) (( segid " " and resid 163 and name HB3 )) 4.000 2.000 2.000 peak 97 spectrum 1 weight 0.10000E+01 volume 0.21645E-02 ppm1 6.757 ppm2 2.899 CV 1 ASSI { 98} ( segid " " and resid 131 and name HE% ) (( segid " " and resid 120 and name HB2 )) 2.800 1.000 1.000 peak 98 spectrum 1 weight 0.10000E+01 volume 0.22684E-02 ppm1 6.757 ppm2 2.200 CV 1 ASSI { 102} ( segid " " and resid 131 and name HE% ) (( segid " " and resid 132 and name HG2 )) 2.900 1.100 1.100 peak 102 spectrum 1 weight 0.10000E+01 volume 0.13532E-02 ppm1 6.757 ppm2 1.730 CV 1 ASSI { 103} ( segid " " and resid 163 and name HD% ) (( segid " " and resid 163 and name HN )) 3.000 1.100 1.100 peak 103 spectrum 1 weight 0.10000E+01 volume 0.23731E-02 ppm1 7.039 ppm2 7.968 CV 1 ASSI { 104} ( segid " " and resid 163 and name HD% ) (( segid " " and resid 163 and name HA )) 2.800 1.000 1.000 peak 104 spectrum 1 weight 0.10000E+01 volume 0.64097E-02 ppm1 7.039 ppm2 4.543 CV 1 ASSI { 105} ( segid " " and resid 163 and name HD% ) (( segid " " and resid 163 and name HB2 )) 2.400 0.700 0.700 peak 105 spectrum 1 weight 0.10000E+01 volume 0.76308E-02 ppm1 7.039 ppm2 3.000 CV 1 ASSI { 106} ( segid " " and resid 163 and name HD% ) (( segid " " and resid 163 and name HB3 )) 2.400 0.700 0.700 peak 106 spectrum 1 weight 0.10000E+01 volume 0.84470E-02 ppm1 7.039 ppm2 2.909 CV 1 ASSI { 107} ( segid " " and resid 131 and name HD% ) (( segid " " and resid 120 and name HB2 )) 3.500 1.600 1.600 peak 107 spectrum 1 weight 0.10000E+01 volume 0.12307E-02 ppm1 7.039 ppm2 2.184 CV 1 ASSI { 109} ( segid " " and resid 131 and name HD% ) (( segid " " and resid 128 and name HB2 )) 3.400 1.500 1.500 peak 109 spectrum 1 weight 0.10000E+01 volume 0.16486E-02 ppm1 7.039 ppm2 1.843 CV 1 ASSI { 112} ( segid " " and resid 131 and name HD% ) (( segid " " and resid 132 and name HB2 )) 4.300 2.400 1.700 peak 112 spectrum 1 weight 0.10000E+01 volume 0.90408E-03 ppm1 7.039 ppm2 1.685 CV 1 ASSI { 115} ( segid " " and resid 136 and name HD% ) (( segid " " and resid 136 and name HN )) 3.000 1.100 1.100 peak 115 spectrum 1 weight 0.10000E+01 volume 0.22476E-02 ppm1 7.124 ppm2 8.140 CV 1 ASSI { 116} ( segid " " and resid 136 and name HD% ) (( segid " " and resid 136 and name HA )) 2.500 0.800 0.800 peak 116 spectrum 1 weight 0.10000E+01 volume 0.58440E-02 ppm1 7.124 ppm2 4.267 CV 1 ASSI { 118} ( segid " " and resid 136 and name HD% ) (( segid " " and resid 136 and name HB3 )) 2.800 1.000 1.000 peak 118 spectrum 1 weight 0.10000E+01 volume 0.35206E-02 ppm1 7.124 ppm2 2.847 CV 1 ASSI { 119} ( segid " " and resid 136 and name HD% ) (( segid " " and resid 136 and name HB2 )) 2.700 0.900 0.900 peak 119 spectrum 1 weight 0.10000E+01 volume 0.30403E-02 ppm1 7.124 ppm2 2.954 CV 1 ASSI { 122} ( segid " " and resid 144 and name HE% ) (( segid " " and resid 149 and name HA )) 4.100 2.100 1.900 peak 122 spectrum 1 weight 0.10000E+01 volume 0.10941E-02 ppm1 6.820 ppm2 5.558 CV 1 ASSI { 123} ( segid " " and resid 144 and name HE% ) (( segid " " and resid 144 and name HN )) 4.500 2.500 1.500 peak 123 spectrum 1 weight 0.10000E+01 volume 0.92116E-03 ppm1 6.820 ppm2 8.164 CV 1 ASSI { 124} ( segid " " and resid 144 and name HE% ) (( segid " " and resid 149 and name HN )) 3.600 1.600 1.600 peak 124 spectrum 1 weight 0.10000E+01 volume 0.14667E-02 ppm1 6.820 ppm2 9.578 CV 1 ASSI { 125} ( segid " " and resid 144 and name HE% ) (( segid " " and resid 155 and name HA )) 2.800 1.000 1.000 peak 125 spectrum 1 weight 0.10000E+01 volume 0.27909E-02 ppm1 6.820 ppm2 3.884 CV 1 ASSI { 126} ( segid " " and resid 144 and name HE% ) (( segid " " and resid 156 and name HD2 )) 3.100 1.200 1.200 peak 126 spectrum 1 weight 0.10000E+01 volume 0.19640E-02 ppm1 6.820 ppm2 3.635 CV 1 ASSI { 127} ( segid " " and resid 144 and name HE% ) (( segid " " and resid 149 and name HB2 )) 3.300 1.400 1.400 peak 127 spectrum 1 weight 0.10000E+01 volume 0.18542E-02 ppm1 6.820 ppm2 3.353 CV 1 ASSI { 128} ( segid " " and resid 144 and name HE% ) (( segid " " and resid 156 and name HD3 )) 3.600 1.600 1.600 peak 128 spectrum 1 weight 0.10000E+01 volume 0.19670E-02 ppm1 6.820 ppm2 3.087 CV 1 ASSI { 129} ( segid " " and resid 144 and name HE% ) (( segid " " and resid 149 and name HB3 )) 2.800 1.000 1.000 peak 129 spectrum 1 weight 0.10000E+01 volume 0.34619E-02 ppm1 6.820 ppm2 2.688 CV 1 ASSI { 130} ( segid " " and resid 144 and name HE% ) (( segid " " and resid 144 and name HB2 )) 4.200 2.200 1.800 peak 130 spectrum 1 weight 0.10000E+01 volume 0.17963E-02 ppm1 6.820 ppm2 2.804 CV 1 ASSI { 131} ( segid " " and resid 144 and name HE% ) (( segid " " and resid 144 and name HB3 )) 4.200 2.200 1.800 peak 131 spectrum 1 weight 0.10000E+01 volume 0.16293E-02 ppm1 6.820 ppm2 2.607 CV 1 ASSI { 134} ( segid " " and resid 144 and name HE% ) (( segid " " and resid 143 and name HB2 )) 3.400 1.400 1.400 peak 134 spectrum 1 weight 0.10000E+01 volume 0.16397E-02 ppm1 6.820 ppm2 1.691 CV 1 ASSI { 135} ( segid " " and resid 144 and name HE% ) (( segid " " and resid 143 and name HB3 )) 3.200 1.300 1.300 peak 135 spectrum 1 weight 0.10000E+01 volume 0.13576E-02 ppm1 6.820 ppm2 1.425 CV 1 ASSI { 136} ( segid " " and resid 144 and name HE% ) ( segid " " and resid 155 and name HB% ) 3.300 1.300 1.300 peak 136 spectrum 1 weight 0.10000E+01 volume 0.21526E-02 ppm1 6.820 ppm2 0.478 CV 1 ASSI { 141} ( segid " " and resid 144 and name HD% ) (( segid " " and resid 149 and name HN )) 3.000 1.200 1.200 peak 141 spectrum 1 weight 0.10000E+01 volume 0.14652E-02 ppm1 6.849 ppm2 9.582 CV 1 ASSI { 142} ( segid " " and resid 144 and name HD% ) (( segid " " and resid 149 and name HA )) 2.900 1.100 1.100 peak 142 spectrum 1 weight 0.10000E+01 volume 0.21734E-02 ppm1 6.849 ppm2 5.545 CV 1 ASSI { 143} ( segid " " and resid 144 and name HD% ) (( segid " " and resid 144 and name HA )) 2.800 1.000 1.000 peak 143 spectrum 1 weight 0.10000E+01 volume 0.38227E-02 ppm1 6.849 ppm2 4.789 CV 1 ASSI { 144} ( segid " " and resid 144 and name HD% ) (( segid " " and resid 155 and name HA )) 3.700 1.700 1.700 peak 144 spectrum 1 weight 0.10000E+01 volume 0.10778E-02 ppm1 6.848 ppm2 3.890 CV 1 ASSI { 145} ( segid " " and resid 144 and name HD% ) (( segid " " and resid 156 and name HD2 )) 3.800 1.800 1.800 peak 145 spectrum 1 weight 0.10000E+01 volume 0.16523E-02 ppm1 6.848 ppm2 3.611 CV 1 ASSI { 146} ( segid " " and resid 144 and name HD% ) (( segid " " and resid 149 and name HB2 )) 3.500 1.500 1.500 peak 146 spectrum 1 weight 0.10000E+01 volume 0.15432E-02 ppm1 6.849 ppm2 3.351 CV 1 ASSI { 147} ( segid " " and resid 144 and name HD% ) (( segid " " and resid 144 and name HB2 )) 2.700 0.900 0.900 peak 147 spectrum 1 weight 0.10000E+01 volume 0.34701E-02 ppm1 6.849 ppm2 2.812 CV 1 ASSI { 148} ( segid " " and resid 144 and name HD% ) (( segid " " and resid 144 and name HB3 )) 2.500 0.800 0.800 peak 148 spectrum 1 weight 0.10000E+01 volume 0.44662E-02 ppm1 6.849 ppm2 2.614 CV 1 ASSI { 150} ( segid " " and resid 144 and name HD% ) (( segid " " and resid 143 and name HB2 )) 3.000 1.100 1.100 peak 150 spectrum 1 weight 0.10000E+01 volume 0.16419E-02 ppm1 6.848 ppm2 1.702 CV 1 ASSI { 151} ( segid " " and resid 144 and name HD% ) (( segid " " and resid 143 and name HB3 )) 3.200 1.300 1.300 peak 151 spectrum 1 weight 0.10000E+01 volume 0.13301E-02 ppm1 6.848 ppm2 1.430 CV 1 ASSI { 152} ( segid " " and resid 144 and name HD% ) ( segid " " and resid 155 and name HB% ) 3.000 1.100 1.100 peak 152 spectrum 1 weight 0.10000E+01 volume 0.22862E-02 ppm1 6.853 ppm2 0.483 CV 1 ASSI { 153} ( segid " " and resid 148 and name HE% ) (( segid " " and resid 154 and name HN )) 3.400 1.500 1.500 peak 153 spectrum 1 weight 0.10000E+01 volume 0.17837E-02 ppm1 6.906 ppm2 9.017 CV 1 ASSI { 154} ( segid " " and resid 148 and name HE% ) (( segid " " and resid 147 and name HA1 )) 4.300 2.300 1.700 peak 154 spectrum 1 weight 0.10000E+01 volume 0.10711E-02 ppm1 6.906 ppm2 4.294 CV 1 ASSI { 155} ( segid " " and resid 148 and name HE% ) (( segid " " and resid 154 and name HA )) 3.400 1.400 1.400 peak 155 spectrum 1 weight 0.10000E+01 volume 0.15558E-02 ppm1 6.906 ppm2 3.798 CV 1 ASSI { 156} ( segid " " and resid 148 and name HE% ) (( segid " " and resid 148 and name HB2 )) 3.800 1.800 1.800 peak 156 spectrum 1 weight 0.10000E+01 volume 0.24651E-02 ppm1 6.906 ppm2 2.906 CV 1 OR { 156} ( segid " " and resid 148 and name HE% ) (( segid " " and resid 148 and name HB3 )) ASSI { 157} ( segid " " and resid 148 and name HE% ) (( segid " " and resid 154 and name HG2 )) 4.100 2.100 1.900 peak 157 spectrum 1 weight 0.10000E+01 volume 0.15491E-02 ppm1 6.906 ppm2 2.219 CV 1 ASSI { 158} ( segid " " and resid 148 and name HE% ) (( segid " " and resid 154 and name HG3 )) 3.200 1.300 1.300 peak 158 spectrum 1 weight 0.10000E+01 volume 0.33180E-02 ppm1 6.906 ppm2 2.102 CV 1 ASSI { 159} ( segid " " and resid 148 and name HE% ) (( segid " " and resid 154 and name HB3 )) 2.900 1.100 1.100 peak 159 spectrum 1 weight 0.10000E+01 volume 0.26944E-02 ppm1 6.906 ppm2 1.817 CV 1 OR { 159} ( segid " " and resid 148 and name HE% ) (( segid " " and resid 154 and name HB2 )) ASSI { 160} ( segid " " and resid 148 and name HD% ) (( segid " " and resid 148 and name HA )) 2.800 1.000 1.000 peak 160 spectrum 1 weight 0.10000E+01 volume 0.28206E-02 ppm1 6.975 ppm2 5.402 CV 1 ASSI { 161} ( segid " " and resid 148 and name HD% ) (( segid " " and resid 153 and name HA )) 3.200 1.300 1.300 peak 161 spectrum 1 weight 0.10000E+01 volume 0.18089E-02 ppm1 6.975 ppm2 4.705 CV 1 ASSI { 162} ( segid " " and resid 148 and name HD% ) (( segid " " and resid 152 and name HA )) 3.400 1.400 1.400 peak 162 spectrum 1 weight 0.10000E+01 volume 0.31458E-02 ppm1 6.975 ppm2 4.330 CV 1 ASSI { 163} ( segid " " and resid 148 and name HD% ) (( segid " " and resid 154 and name HA )) 2.700 0.900 0.900 peak 163 spectrum 1 weight 0.10000E+01 volume 0.29342E-02 ppm1 6.975 ppm2 3.794 CV 1 ASSI { 164} ( segid " " and resid 148 and name HD% ) (( segid " " and resid 147 and name HA2 )) 3.500 1.500 1.500 peak 164 spectrum 1 weight 0.10000E+01 volume 0.93304E-03 ppm1 6.975 ppm2 3.544 CV 1 ASSI { 165} ( segid " " and resid 148 and name HD% ) (( segid " " and resid 148 and name HB2 )) 2.300 0.600 0.600 peak 165 spectrum 1 weight 0.10000E+01 volume 0.94712E-02 ppm1 6.975 ppm2 2.914 CV 1 OR { 165} ( segid " " and resid 148 and name HD% ) (( segid " " and resid 148 and name HB3 )) ASSI { 166} ( segid " " and resid 148 and name HD% ) (( segid " " and resid 154 and name HB3 )) 3.800 1.800 1.800 peak 166 spectrum 1 weight 0.10000E+01 volume 0.15157E-02 ppm1 6.975 ppm2 1.810 CV 1 OR { 166} ( segid " " and resid 148 and name HD% ) (( segid " " and resid 154 and name HB2 )) ASSI { 168} ( segid " " and resid 148 and name HD% ) (( segid " " and resid 155 and name HN )) 4.300 2.300 1.700 peak 168 spectrum 1 weight 0.10000E+01 volume 0.11283E-02 ppm1 6.975 ppm2 7.753 CV 1 ASSI { 169} ( segid " " and resid 148 and name HD% ) (( segid " " and resid 148 and name HN )) 2.900 1.100 1.100 peak 169 spectrum 1 weight 0.10000E+01 volume 0.30567E-02 ppm1 6.975 ppm2 8.017 CV 1 ASSI { 170} ( segid " " and resid 148 and name HD% ) (( segid " " and resid 153 and name HN )) 3.600 1.600 1.600 peak 170 spectrum 1 weight 0.10000E+01 volume 0.13428E-02 ppm1 6.975 ppm2 8.792 CV 1 ASSI { 171} ( segid " " and resid 148 and name HD% ) (( segid " " and resid 154 and name HN )) 3.000 1.100 1.100 peak 171 spectrum 1 weight 0.10000E+01 volume 0.20509E-02 ppm1 6.975 ppm2 9.006 CV 1 ASSI { 174} ( segid " " and resid 136 and name HE% ) (( segid " " and resid 150 and name HA )) 3.900 1.900 1.900 peak 174 spectrum 1 weight 0.10000E+01 volume 0.82391E-03 ppm1 7.124 ppm2 3.518 CV 1 OR { 174} ( segid " " and resid 136 and name HD% ) (( segid " " and resid 150 and name HA )) ASSI { 227} (( segid " " and resid 101 and name HN )) ( segid " " and resid 105 and name HG2%) 3.300 1.300 1.300 peak 227 spectrum 1 weight 0.10000E+01 volume 0.31400E-02 ppm1 8.946 ppm2 1.359 CV 1 OR { 227} (( segid " " and resid 101 and name HN )) (( segid " " and resid 101 and name HG2 )) OR { 227} (( segid " " and resid 101 and name HN )) (( segid " " and resid 101 and name HG3 )) ASSI { 319} (( segid " " and resid 159 and name HN )) (( segid " " and resid 159 and name HB3 )) 2.900 1.000 1.000 peak 319 spectrum 1 weight 0.10000E+01 volume 0.49556E-02 ppm1 8.329 ppm2 2.621 CV 1 OR { 319} (( segid " " and resid 159 and name HN )) (( segid " " and resid 158 and name HB2 )) OR { 319} (( segid " " and resid 159 and name HN )) (( segid " " and resid 158 and name HB3 )) ASSI { 331} (( segid " " and resid 157 and name HN )) (( segid " " and resid 156 and name HA )) 2.100 0.500 0.500 peak 331 spectrum 1 weight 0.10000E+01 volume 0.15900E-01 ppm1 8.287 ppm2 4.391 CV 1 OR { 331} (( segid " " and resid 157 and name HN )) (( segid " " and resid 157 and name HA )) ASSI { 385} (( segid " " and resid 154 and name HN )) (( segid " " and resid 153 and name HB2 )) 3.400 1.400 1.400 peak 385 spectrum 1 weight 0.10000E+01 volume 0.43321E-02 ppm1 9.024 ppm2 2.115 CV 1 OR { 385} (( segid " " and resid 154 and name HN )) (( segid " " and resid 154 and name HG3 )) ASSI { 401} (( segid " " and resid 142 and name HN )) (( segid " " and resid 141 and name HB2 )) 2.400 0.700 0.700 peak 401 spectrum 1 weight 0.10000E+01 volume 0.80286E-02 ppm1 7.533 ppm2 2.176 CV 1 OR { 401} (( segid " " and resid 142 and name HN )) (( segid " " and resid 142 and name HB )) ASSI { 420} (( segid " " and resid 59 and name HN )) (( segid " " and resid 57 and name HA )) 2.900 1.000 1.000 peak 420 spectrum 1 weight 0.10000E+01 volume 0.40051E-02 ppm1 8.045 ppm2 4.774 CV 1 OR { 420} (( segid " " and resid 148 and name HN )) (( segid " " and resid 144 and name HA )) ASSI { 433} (( segid " " and resid 62 and name HN )) (( segid " " and resid 61 and name HA )) 2.200 0.600 0.600 peak 433 spectrum 1 weight 0.10000E+01 volume 0.85668E-02 ppm1 7.920 ppm2 4.630 CV 1 OR { 433} (( segid " " and resid 62 and name HN )) (( segid " " and resid 39 and name HA )) ASSI { 477} (( segid " " and resid 137 and name HN )) (( segid " " and resid 136 and name HB2 )) 3.100 1.200 1.200 peak 477 spectrum 1 weight 0.10000E+01 volume 0.14725E-02 ppm1 7.586 ppm2 2.954 CV 1 OR { 477} (( segid " " and resid 137 and name HN )) (( segid " " and resid 137 and name HE2 )) ASSI { 479} (( segid " " and resid 137 and name HN )) (( segid " " and resid 137 and name HD3 )) 3.800 1.800 1.800 peak 479 spectrum 1 weight 0.10000E+01 volume 0.18811E-02 ppm1 7.586 ppm2 1.686 CV 1 OR { 479} (( segid " " and resid 137 and name HN )) (( segid " " and resid 137 and name HD2 )) OR { 479} (( segid " " and resid 137 and name HN )) (( segid " " and resid 138 and name HB3 )) ASSI { 481} (( segid " " and resid 137 and name HN )) (( segid " " and resid 137 and name HG3 )) 3.900 1.900 1.900 peak 481 spectrum 1 weight 0.10000E+01 volume 0.12974E-02 ppm1 7.586 ppm2 1.441 CV 1 OR { 481} (( segid " " and resid 137 and name HN )) (( segid " " and resid 135 and name HB )) ASSI { 532} (( segid " " and resid 112 and name HN )) (( segid " " and resid 112 and name HG )) 2.700 0.900 0.900 peak 532 spectrum 1 weight 0.10000E+01 volume 0.39797E-02 ppm1 7.196 ppm2 1.516 CV 1 OR { 532} (( segid " " and resid 112 and name HN )) (( segid " " and resid 111 and name HG2 )) ASSI { 539} (( segid " " and resid 106 and name HN )) ( segid " " and resid 106 and name HG2%) 2.900 1.100 1.100 peak 539 spectrum 1 weight 0.10000E+01 volume 0.50999E-02 ppm1 7.131 ppm2 0.784 CV 1 OR { 539} (( segid " " and resid 106 and name HN )) ( segid " " and resid 100 and name HG2%) OR { 539} (( segid " " and resid 106 and name HN )) ( segid " " and resid 106 and name HD1%) ASSI { 563} (( segid " " and resid 100 and name HN )) ( segid " " and resid 100 and name HG2%) 3.800 1.800 1.800 peak 563 spectrum 1 weight 0.10000E+01 volume 0.22442E-02 ppm1 6.619 ppm2 0.774 CV 1 OR { 563} (( segid " " and resid 100 and name HN )) ( segid " " and resid 106 and name HG2%) ASSI { 569} (( segid " " and resid 123 and name HN )) (( segid " " and resid 126 and name HA )) 4.100 2.100 1.900 peak 569 spectrum 1 weight 0.10000E+01 volume 0.20292E-02 ppm1 8.137 ppm2 2.381 CV 1 OR { 569} (( segid " " and resid 123 and name HN )) (( segid " " and resid 124 and name HG2 )) ASSI { 585} (( segid " " and resid 153 and name HN )) (( segid " " and resid 152 and name HB2 )) 4.100 2.100 1.900 peak 585 spectrum 1 weight 0.10000E+01 volume 0.92462E-03 ppm1 8.797 ppm2 3.048 CV 1 OR { 585} (( segid " " and resid 153 and name HN )) (( segid " " and resid 153 and name HE2 )) OR { 585} (( segid " " and resid 153 and name HN )) (( segid " " and resid 153 and name HE3 )) ASSI { 588} (( segid " " and resid 7 and name HN )) (( segid " " and resid 4 and name HA )) 3.700 1.700 1.700 peak 588 spectrum 1 weight 0.10000E+01 volume 0.71903E-03 ppm1 8.443 ppm2 4.156 CV 1 OR { 588} (( segid " " and resid 7 and name HN )) (( segid " " and resid 5 and name HA )) ASSI { 629} (( segid " " and resid 47 and name HN )) ( segid " " and resid 66 and name HD2%) 3.200 1.200 1.200 peak 629 spectrum 1 weight 0.10000E+01 volume 0.25673E-02 ppm1 7.942 ppm2 0.763 CV 1 OR { 629} (( segid " " and resid 47 and name HN )) ( segid " " and resid 44 and name HD2%) OR { 629} (( segid " " and resid 47 and name HN )) ( segid " " and resid 23 and name HG2%) ASSI { 640} (( segid " " and resid 62 and name HN )) (( segid " " and resid 62 and name HB2 )) 2.100 0.600 0.600 peak 640 spectrum 1 weight 0.10000E+01 volume 0.11381E-01 ppm1 7.919 ppm2 1.885 CV 1 OR { 640} (( segid " " and resid 139 and name HN )) (( segid " " and resid 139 and name HB2 )) OR { 640} (( segid " " and resid 62 and name HN )) (( segid " " and resid 61 and name HB3 )) ASSI { 672} (( segid " " and resid 136 and name HN )) (( segid " " and resid 136 and name HA )) 2.600 0.900 0.900 peak 672 spectrum 1 weight 0.10000E+01 volume 0.46272E-02 ppm1 8.137 ppm2 4.259 CV 1 OR { 672} (( segid " " and resid 123 and name HN )) (( segid " " and resid 122 and name HA )) ASSI { 680} (( segid " " and resid 89 and name HD21)) (( segid " " and resid 89 and name HB2 )) 2.500 0.800 0.800 peak 680 spectrum 1 weight 0.10000E+01 volume 0.31747E-02 ppm1 8.153 ppm2 2.805 CV 1 OR { 680} (( segid " " and resid 144 and name HN )) (( segid " " and resid 144 and name HB2 )) ASSI { 681} (( segid " " and resid 144 and name HN )) (( segid " " and resid 144 and name HB3 )) 3.300 1.300 1.300 peak 681 spectrum 1 weight 0.10000E+01 volume 0.30185E-02 ppm1 8.153 ppm2 2.608 CV 1 OR { 681} (( segid " " and resid 89 and name HD21)) (( segid " " and resid 89 and name HB3 )) ASSI { 687} (( segid " " and resid 150 and name HN )) (( segid " " and resid 149 and name HB3 )) 3.400 1.500 1.500 peak 687 spectrum 1 weight 0.10000E+01 volume 0.25192E-02 ppm1 8.269 ppm2 2.700 CV 1 OR { 687} (( segid " " and resid 150 and name HN )) (( segid " " and resid 150 and name HD3 )) OR { 687} (( segid " " and resid 150 and name HN )) (( segid " " and resid 150 and name HD2 )) ASSI { 723} (( segid " " and resid 141 and name HN )) (( segid " " and resid 141 and name HB3 )) 2.900 1.100 1.100 peak 723 spectrum 1 weight 0.10000E+01 volume 0.46953E-02 ppm1 9.998 ppm2 1.937 CV 1 OR { 723} (( segid " " and resid 141 and name HN )) (( segid " " and resid 140 and name HG3 )) OR { 723} (( segid " " and resid 141 and name HN )) (( segid " " and resid 140 and name HB3 )) ASSI { 733} (( segid " " and resid 2 and name HN )) (( segid " " and resid 1 and name HA )) 2.300 0.600 0.600 peak 733 spectrum 1 weight 0.10000E+01 volume 0.56911E-02 ppm1 9.303 ppm2 4.525 CV 1 OR { 733} (( segid " " and resid 2 and name HN )) (( segid " " and resid 2 and name HA )) ASSI { 735} (( segid " " and resid 2 and name HN )) (( segid " " and resid 2 and name HG2 )) 3.500 1.600 1.600 peak 735 spectrum 1 weight 0.10000E+01 volume 0.12596E-02 ppm1 9.303 ppm2 2.583 CV 1 OR { 735} (( segid " " and resid 2 and name HN )) (( segid " " and resid 1 and name HG3 )) ASSI { 737} (( segid " " and resid 2 and name HN )) (( segid " " and resid 2 and name HB3 )) 3.100 1.200 1.200 peak 737 spectrum 1 weight 0.10000E+01 volume 0.33883E-02 ppm1 9.303 ppm2 2.091 CV 1 OR { 737} (( segid " " and resid 2 and name HN )) (( segid " " and resid 1 and name HB3 )) ASSI { 740} (( segid " " and resid 5 and name HN )) (( segid " " and resid 3 and name HN )) 4.000 2.000 2.000 peak 740 spectrum 1 weight 0.10000E+01 volume 0.60238E-03 ppm1 7.422 ppm2 8.435 CV 1 OR { 740} (( segid " " and resid 5 and name HN )) (( segid " " and resid 7 and name HN )) ASSI { 744} (( segid " " and resid 6 and name HN )) (( segid " " and resid 6 and name HA )) 3.400 1.500 1.500 peak 744 spectrum 1 weight 0.10000E+01 volume 0.77540E-03 ppm1 8.290 ppm2 4.279 CV 1 OR { 744} (( segid " " and resid 157 and name HN )) (( segid " " and resid 158 and name HA )) ASSI { 749} (( segid " " and resid 6 and name HN )) (( segid " " and resid 6 and name HG3 )) 4.800 2.900 1.200 peak 749 spectrum 1 weight 0.10000E+01 volume 0.50663E-03 ppm1 8.291 ppm2 1.519 CV 1 OR { 749} (( segid " " and resid 6 and name HN )) (( segid " " and resid 5 and name HG3 )) ASSI { 751} (( segid " " and resid 5 and name HN )) (( segid " " and resid 4 and name HB2 )) 3.800 1.900 1.900 peak 751 spectrum 1 weight 0.10000E+01 volume 0.89195E-03 ppm1 7.422 ppm2 2.607 CV 1 OR { 751} (( segid " " and resid 5 and name HN )) (( segid " " and resid 2 and name HG2 )) ASSI { 752} (( segid " " and resid 5 and name HN )) (( segid " " and resid 2 and name HB2 )) 3.300 1.400 1.400 peak 752 spectrum 1 weight 0.10000E+01 volume 0.96230E-03 ppm1 7.422 ppm2 2.406 CV 1 OR { 752} (( segid " " and resid 128 and name HN )) (( segid " " and resid 126 and name HA )) OR { 752} (( segid " " and resid 5 and name HN )) (( segid " " and resid 2 and name HG3 )) ASSI { 755} (( segid " " and resid 5 and name HN )) (( segid " " and resid 2 and name HB3 )) 3.700 1.700 1.700 peak 755 spectrum 1 weight 0.10000E+01 volume 0.16501E-02 ppm1 7.422 ppm2 2.094 CV 1 OR { 755} (( segid " " and resid 5 and name HN )) (( segid " " and resid 1 and name HB3 )) ASSI { 764} (( segid " " and resid 8 and name HN )) (( segid " " and resid 7 and name HG13)) 3.900 1.900 1.900 peak 764 spectrum 1 weight 0.10000E+01 volume 0.18103E-02 ppm1 7.698 ppm2 0.703 CV 1 OR { 764} (( segid " " and resid 8 and name HN )) ( segid " " and resid 7 and name HD1%) OR { 764} (( segid " " and resid 8 and name HN )) ( segid " " and resid 22 and name HD2%) ASSI { 769} (( segid " " and resid 9 and name HN )) (( segid " " and resid 8 and name HA )) 3.500 1.500 1.500 peak 769 spectrum 1 weight 0.10000E+01 volume 0.92582E-03 ppm1 8.077 ppm2 4.254 CV 1 OR { 769} (( segid " " and resid 9 and name HN )) (( segid " " and resid 6 and name HA )) ASSI { 770} (( segid " " and resid 9 and name HN )) (( segid " " and resid 7 and name HA )) 4.000 2.000 2.000 peak 770 spectrum 1 weight 0.10000E+01 volume 0.52121E-03 ppm1 8.077 ppm2 3.431 CV 1 OR { 770} (( segid " " and resid 9 and name HN )) (( segid " " and resid 6 and name HD2 )) ASSI { 773} (( segid " " and resid 10 and name HN )) (( segid " " and resid 9 and name HB2 )) 3.600 1.600 1.600 peak 773 spectrum 1 weight 0.10000E+01 volume 0.20920E-02 ppm1 8.395 ppm2 1.933 CV 1 OR { 773} (( segid " " and resid 10 and name HN )) (( segid " " and resid 11 and name HG )) ASSI { 774} (( segid " " and resid 10 and name HN )) (( segid " " and resid 9 and name HB3 )) 2.800 1.000 1.000 peak 774 spectrum 1 weight 0.10000E+01 volume 0.22722E-02 ppm1 8.395 ppm2 1.843 CV 1 OR { 774} (( segid " " and resid 10 and name HN )) (( segid " " and resid 9 and name HG )) OR { 774} (( segid " " and resid 10 and name HN )) (( segid " " and resid 11 and name HB2 )) ASSI { 776} (( segid " " and resid 10 and name HN )) ( segid " " and resid 9 and name HD2%) 4.600 2.600 1.400 peak 776 spectrum 1 weight 0.10000E+01 volume 0.87857E-03 ppm1 8.395 ppm2 0.965 CV 1 OR { 776} (( segid " " and resid 10 and name HN )) ( segid " " and resid 9 and name HD1%) OR { 776} (( segid " " and resid 10 and name HN )) ( segid " " and resid 11 and name HD1%) ASSI { 777} (( segid " " and resid 10 and name HN )) ( segid " " and resid 22 and name HD1%) 4.000 2.000 2.000 peak 777 spectrum 1 weight 0.10000E+01 volume 0.14111E-02 ppm1 8.395 ppm2 0.711 CV 1 OR { 777} (( segid " " and resid 10 and name HN )) ( segid " " and resid 22 and name HD2%) OR { 777} (( segid " " and resid 10 and name HN )) (( segid " " and resid 7 and name HG13)) OR { 777} (( segid " " and resid 10 and name HN )) ( segid " " and resid 7 and name HD1%) ASSI { 784} (( segid " " and resid 11 and name HN )) (( segid " " and resid 10 and name HA )) 3.400 1.400 1.400 peak 784 spectrum 1 weight 0.10000E+01 volume 0.13764E-02 ppm1 8.164 ppm2 4.108 CV 1 OR { 784} (( segid " " and resid 11 and name HN )) (( segid " " and resid 9 and name HA )) ASSI { 786} (( segid " " and resid 11 and name HN )) (( segid " " and resid 7 and name HA )) 4.300 2.300 1.700 peak 786 spectrum 1 weight 0.10000E+01 volume 0.44897E-03 ppm1 8.164 ppm2 3.429 CV 1 OR { 786} (( segid " " and resid 11 and name HN )) (( segid " " and resid 16 and name HA )) ASSI { 797} (( segid " " and resid 12 and name HN )) (( segid " " and resid 9 and name HA )) 3.200 1.300 1.300 peak 797 spectrum 1 weight 0.10000E+01 volume 0.14472E-02 ppm1 7.433 ppm2 4.102 CV 1 OR { 797} (( segid " " and resid 12 and name HN )) (( segid " " and resid 10 and name HA )) ASSI { 798} (( segid " " and resid 12 and name HN )) ( segid " " and resid 9 and name HD1%) 4.600 2.600 1.400 peak 798 spectrum 1 weight 0.10000E+01 volume 0.73186E-03 ppm1 7.433 ppm2 0.958 CV 1 OR { 798} (( segid " " and resid 12 and name HN )) ( segid " " and resid 11 and name HD1%) ASSI { 806} (( segid " " and resid 13 and name HN )) (( segid " " and resid 12 and name HB3 )) 3.100 1.200 1.200 peak 806 spectrum 1 weight 0.10000E+01 volume 0.32080E-02 ppm1 8.753 ppm2 1.859 CV 1 OR { 806} (( segid " " and resid 13 and name HN )) (( segid " " and resid 12 and name HB2 )) OR { 806} (( segid " " and resid 13 and name HN )) (( segid " " and resid 14 and name HB3 )) ASSI { 807} (( segid " " and resid 13 and name HN )) (( segid " " and resid 12 and name HG3 )) 3.400 1.400 1.400 peak 807 spectrum 1 weight 0.10000E+01 volume 0.10023E-02 ppm1 8.753 ppm2 1.669 CV 1 OR { 807} (( segid " " and resid 13 and name HN )) (( segid " " and resid 11 and name HB3 )) ASSI { 821} (( segid " " and resid 21 and name HN )) ( segid " " and resid 44 and name HD2%) 3.600 1.600 1.600 peak 821 spectrum 1 weight 0.10000E+01 volume 0.17529E-02 ppm1 7.754 ppm2 0.791 CV 1 OR { 821} (( segid " " and resid 21 and name HN )) ( segid " " and resid 11 and name HD2%) ASSI { 827} (( segid " " and resid 14 and name HN )) ( segid " " and resid 19 and name HG2%) 4.100 2.100 1.900 peak 827 spectrum 1 weight 0.10000E+01 volume 0.10193E-02 ppm1 7.757 ppm2 0.972 CV 1 OR { 827} (( segid " " and resid 14 and name HN )) ( segid " " and resid 11 and name HD1%) ASSI { 829} (( segid " " and resid 15 and name HN )) (( segid " " and resid 18 and name HN )) 3.900 1.900 1.900 peak 829 spectrum 1 weight 0.10000E+01 volume 0.63495E-03 ppm1 8.521 ppm2 7.846 CV 1 OR { 829} (( segid " " and resid 15 and name HN )) (( segid " " and resid 17 and name HN )) ASSI { 837} (( segid " " and resid 15 and name HN )) ( segid " " and resid 19 and name HG2%) 4.000 2.000 2.000 peak 837 spectrum 1 weight 0.10000E+01 volume 0.75240E-03 ppm1 8.521 ppm2 0.965 CV 1 OR { 837} (( segid " " and resid 15 and name HN )) ( segid " " and resid 11 and name HD1%) ASSI { 847} (( segid " " and resid 20 and name HN )) ( segid " " and resid 44 and name HD2%) 4.800 2.900 1.200 peak 847 spectrum 1 weight 0.10000E+01 volume 0.57578E-03 ppm1 8.623 ppm2 0.791 CV 1 OR { 847} (( segid " " and resid 20 and name HN )) ( segid " " and resid 11 and name HD2%) ASSI { 848} (( segid " " and resid 20 and name HN )) (( segid " " and resid 21 and name HB2 )) 4.800 2.800 1.200 peak 848 spectrum 1 weight 0.10000E+01 volume 0.50903E-03 ppm1 8.622 ppm2 2.188 CV 1 OR { 848} (( segid " " and resid 20 and name HN )) (( segid " " and resid 43 and name HB2 )) ASSI { 849} (( segid " " and resid 20 and name HN )) (( segid " " and resid 19 and name HB )) 4.200 2.200 1.800 peak 849 spectrum 1 weight 0.10000E+01 volume 0.99377E-03 ppm1 8.622 ppm2 2.299 CV 1 OR { 849} (( segid " " and resid 20 and name HN )) (( segid " " and resid 21 and name HG3 )) OR { 849} (( segid " " and resid 20 and name HN )) (( segid " " and resid 21 and name HG2 )) ASSI { 854} (( segid " " and resid 22 and name HN )) (( segid " " and resid 21 and name HN )) 3.700 1.700 1.700 peak 854 spectrum 1 weight 0.10000E+01 volume 0.14899E-02 ppm1 8.157 ppm2 7.741 CV 1 OR { 854} (( segid " " and resid 22 and name HN )) (( segid " " and resid 46 and name HN )) ASSI { 855} (( segid " " and resid 22 and name HN )) ( segid " " and resid 46 and name HD% ) 3.700 1.800 1.800 peak 855 spectrum 1 weight 0.10000E+01 volume 0.95012E-03 ppm1 8.157 ppm2 7.195 CV 1 OR { 855} (( segid " " and resid 68 and name HN )) ( segid " " and resid 46 and name HD% ) OR { 855} (( segid " " and resid 22 and name HN )) ( segid " " and resid 46 and name HE% ) ASSI { 857} (( segid " " and resid 68 and name HN )) (( segid " " and resid 46 and name HA )) 3.000 1.100 1.100 peak 857 spectrum 1 weight 0.10000E+01 volume 0.15660E-02 ppm1 8.167 ppm2 5.806 CV 1 OR { 857} (( segid " " and resid 22 and name HN )) (( segid " " and resid 46 and name HA )) ASSI { 859} (( segid " " and resid 68 and name HN )) (( segid " " and resid 46 and name HB2 )) 4.600 2.700 1.400 peak 859 spectrum 1 weight 0.10000E+01 volume 0.69152E-03 ppm1 8.156 ppm2 3.268 CV 1 OR { 859} (( segid " " and resid 22 and name HN )) (( segid " " and resid 46 and name HB2 )) ASSI { 865} (( segid " " and resid 22 and name HN )) (( segid " " and resid 21 and name HG2 )) 4.600 2.600 1.400 peak 865 spectrum 1 weight 0.10000E+01 volume 0.68646E-03 ppm1 8.156 ppm2 2.333 CV 1 OR { 865} (( segid " " and resid 68 and name HN )) (( segid " " and resid 68 and name HE3 )) ASSI { 870} (( segid " " and resid 68 and name HN )) (( segid " " and resid 68 and name HG2 )) 3.200 1.300 1.300 peak 870 spectrum 1 weight 0.10000E+01 volume 0.31119E-02 ppm1 8.167 ppm2 1.364 CV 1 OR { 870} (( segid " " and resid 22 and name HN )) (( segid " " and resid 22 and name HB2 )) OR { 870} (( segid " " and resid 68 and name HN )) (( segid " " and resid 66 and name HG )) ASSI { 873} (( segid " " and resid 22 and name HN )) ( segid " " and resid 44 and name HD1%) 3.600 1.600 1.600 peak 873 spectrum 1 weight 0.10000E+01 volume 0.15553E-02 ppm1 8.167 ppm2 0.866 CV 1 OR { 873} (( segid " " and resid 68 and name HN )) ( segid " " and resid 90 and name HD2%) OR { 873} (( segid " " and resid 22 and name HN )) ( segid " " and resid 23 and name HG1%) OR { 873} (( segid " " and resid 68 and name HN )) ( segid " " and resid 69 and name HD2%) ASSI { 883} (( segid " " and resid 25 and name HN )) (( segid " " and resid 49 and name HA )) 4.100 2.100 1.900 peak 883 spectrum 1 weight 0.10000E+01 volume 0.62468E-03 ppm1 7.020 ppm2 4.273 CV 1 OR { 883} (( segid " " and resid 25 and name HN )) (( segid " " and resid 50 and name HA )) ASSI { 888} (( segid " " and resid 25 and name HN )) ( segid " " and resid 24 and name HD2%) 3.300 1.400 1.400 peak 888 spectrum 1 weight 0.10000E+01 volume 0.11669E-02 ppm1 7.019 ppm2 0.717 CV 1 OR { 888} (( segid " " and resid 25 and name HN )) ( segid " " and resid 52 and name HG1%) OR { 888} (( segid " " and resid 25 and name HN )) ( segid " " and resid 50 and name HG2%) ASSI { 890} (( segid " " and resid 26 and name HN )) (( segid " " and resid 49 and name HA )) 4.400 2.400 1.600 peak 890 spectrum 1 weight 0.10000E+01 volume 0.59036E-03 ppm1 8.760 ppm2 4.273 CV 1 OR { 890} (( segid " " and resid 26 and name HN )) (( segid " " and resid 50 and name HA )) ASSI { 893} (( segid " " and resid 13 and name HN )) (( segid " " and resid 12 and name HG2 )) 3.900 1.900 1.900 peak 893 spectrum 1 weight 0.10000E+01 volume 0.95629E-03 ppm1 8.753 ppm2 1.779 CV 1 OR { 893} (( segid " " and resid 13 and name HN )) (( segid " " and resid 14 and name HG2 )) ASSI { 895} (( segid " " and resid 26 and name HN )) ( segid " " and resid 52 and name HG1%) 3.000 1.100 1.100 peak 895 spectrum 1 weight 0.10000E+01 volume 0.31934E-02 ppm1 8.760 ppm2 0.728 CV 1 OR { 895} (( segid " " and resid 26 and name HN )) ( segid " " and resid 50 and name HG2%) ASSI { 899} (( segid " " and resid 27 and name HN )) ( segid " " and resid 52 and name HG1%) 3.100 1.200 1.200 peak 899 spectrum 1 weight 0.10000E+01 volume 0.29144E-02 ppm1 7.675 ppm2 0.732 CV 1 OR { 899} (( segid " " and resid 56 and name HN )) ( segid " " and resid 54 and name HD1%) OR { 899} (( segid " " and resid 56 and name HN )) ( segid " " and resid 76 and name HD1%) OR { 899} (( segid " " and resid 27 and name HN )) ( segid " " and resid 52 and name HG2%) ASSI { 902} (( segid " " and resid 27 and name HN )) (( segid " " and resid 28 and name HB3 )) 4.500 2.600 1.500 peak 902 spectrum 1 weight 0.10000E+01 volume 0.81664E-03 ppm1 7.689 ppm2 1.568 CV 1 OR { 902} (( segid " " and resid 56 and name HN )) (( segid " " and resid 75 and name HB3 )) OR { 902} (( segid " " and resid 56 and name HN )) (( segid " " and resid 54 and name HG )) ASSI { 909} (( segid " " and resid 28 and name HN )) (( segid " " and resid 2 and name HA )) 3.200 1.300 1.300 peak 909 spectrum 1 weight 0.10000E+01 volume 0.21214E-02 ppm1 8.155 ppm2 4.549 CV 1 OR { 909} (( segid " " and resid 28 and name HN )) (( segid " " and resid 26 and name HA )) ASSI { 921} (( segid " " and resid 136 and name HN )) ( segid " " and resid 135 and name HG1%) 3.300 1.300 1.300 peak 921 spectrum 1 weight 0.10000E+01 volume 0.30385E-02 ppm1 8.146 ppm2 0.709 CV 1 OR { 921} (( segid " " and resid 123 and name HN )) ( segid " " and resid 125 and name HG2%) OR { 921} (( segid " " and resid 28 and name HN )) ( segid " " and resid 52 and name HG1%) ASSI { 922} (( segid " " and resid 136 and name HN )) (( segid " " and resid 137 and name HB3 )) 4.100 2.100 1.900 peak 922 spectrum 1 weight 0.10000E+01 volume 0.11652E-02 ppm1 8.146 ppm2 1.904 CV 1 OR { 922} (( segid " " and resid 136 and name HN )) (( segid " " and resid 137 and name HB2 )) OR { 922} (( segid " " and resid 136 and name HN )) (( segid " " and resid 133 and name HB3 )) ASSI { 923} (( segid " " and resid 28 and name HN )) (( segid " " and resid 2 and name HB3 )) 3.700 1.700 1.700 peak 923 spectrum 1 weight 0.10000E+01 volume 0.95990E-03 ppm1 8.146 ppm2 2.089 CV 1 OR { 923} (( segid " " and resid 123 and name HN )) (( segid " " and resid 100 and name HB )) ASSI { 930} (( segid " " and resid 33 and name HN )) (( segid " " and resid 35 and name HB3 )) 4.500 2.500 1.500 peak 930 spectrum 1 weight 0.10000E+01 volume 0.62117E-03 ppm1 7.484 ppm2 1.956 CV 1 OR { 930} (( segid " " and resid 33 and name HN )) ( segid " " and resid 3 and name HE% ) OR { 930} (( segid " " and resid 33 and name HN )) (( segid " " and resid 35 and name HB2 )) ASSI { 933} (( segid " " and resid 33 and name HN )) ( segid " " and resid 54 and name HD1%) 4.600 2.700 1.400 peak 933 spectrum 1 weight 0.10000E+01 volume 0.54311E-03 ppm1 7.484 ppm2 0.725 CV 1 OR { 933} (( segid " " and resid 33 and name HN )) ( segid " " and resid 34 and name HD1%) OR { 933} (( segid " " and resid 33 and name HN )) ( segid " " and resid 34 and name HG2%) ASSI { 939} (( segid " " and resid 36 and name HN )) (( segid " " and resid 33 and name HB3 )) 3.300 3.300 2.700 peak 939 spectrum 1 weight 0.10000E+01 volume 0.44963E-03 ppm1 8.324 ppm2 1.743 CV 1 OR { 939} (( segid " " and resid 36 and name HN )) (( segid " " and resid 63 and name HB2 )) ASSI { 940} (( segid " " and resid 36 and name HN )) (( segid " " and resid 37 and name HB2 )) 4.500 2.600 1.500 peak 940 spectrum 1 weight 0.10000E+01 volume 0.44897E-03 ppm1 8.324 ppm2 1.243 CV 1 OR { 940} (( segid " " and resid 36 and name HN )) ( segid " " and resid 38 and name HG2%) ASSI { 941} (( segid " " and resid 36 and name HN )) ( segid " " and resid 34 and name HG2%) 3.600 1.700 1.700 peak 941 spectrum 1 weight 0.10000E+01 volume 0.90648E-03 ppm1 8.324 ppm2 0.718 CV 1 OR { 941} (( segid " " and resid 36 and name HN )) ( segid " " and resid 7 and name HD1%) ASSI { 942} (( segid " " and resid 37 and name HN )) (( segid " " and resid 35 and name HA )) 3.500 3.500 2.500 peak 942 spectrum 1 weight 0.10000E+01 volume 0.81183E-03 ppm1 7.108 ppm2 4.665 CV 1 OR { 942} (( segid " " and resid 37 and name HN )) (( segid " " and resid 61 and name HA )) OR { 942} (( segid " " and resid 37 and name HN )) (( segid " " and resid 39 and name HA )) ASSI { 954} (( segid " " and resid 38 and name HN )) (( segid " " and resid 61 and name HG2 )) 4.500 2.500 1.500 peak 954 spectrum 1 weight 0.10000E+01 volume 0.77420E-03 ppm1 6.831 ppm2 1.541 CV 1 OR { 954} (( segid " " and resid 38 and name HN )) (( segid " " and resid 44 and name HB3 )) ASSI { 955} (( segid " " and resid 38 and name HN )) (( segid " " and resid 37 and name HB3 )) 3.800 1.800 1.800 peak 955 spectrum 1 weight 0.10000E+01 volume 0.14004E-02 ppm1 6.831 ppm2 0.995 CV 1 OR { 955} (( segid " " and resid 38 and name HN )) ( segid " " and resid 63 and name HD2%) OR { 955} (( segid " " and resid 38 and name HN )) ( segid " " and resid 19 and name HG1%) ASSI { 956} (( segid " " and resid 38 and name HN )) ( segid " " and resid 7 and name HD1%) 4.000 2.000 2.000 peak 956 spectrum 1 weight 0.10000E+01 volume 0.11036E-02 ppm1 6.831 ppm2 0.714 CV 1 OR { 956} (( segid " " and resid 38 and name HN )) ( segid " " and resid 63 and name HD1%) OR { 956} (( segid " " and resid 38 and name HN )) ( segid " " and resid 34 and name HD1%) OR { 956} (( segid " " and resid 38 and name HN )) ( segid " " and resid 22 and name HD2%) ASSI { 958} (( segid " " and resid 38 and name HN )) (( segid " " and resid 39 and name HA )) 4.700 2.700 1.300 peak 958 spectrum 1 weight 0.10000E+01 volume 0.41800E-03 ppm1 6.831 ppm2 4.654 CV 1 OR { 958} (( segid " " and resid 38 and name HN )) (( segid " " and resid 61 and name HA )) ASSI { 982} (( segid " " and resid 41 and name HN )) (( segid " " and resid 40 and name HG2 )) 4.800 2.900 1.200 peak 982 spectrum 1 weight 0.10000E+01 volume 0.58339E-03 ppm1 7.550 ppm2 2.308 CV 1 OR { 982} (( segid " " and resid 41 and name HN )) (( segid " " and resid 19 and name HB )) ASSI { 984} (( segid " " and resid 41 and name HN )) (( segid " " and resid 40 and name HB2 )) 3.300 1.400 1.400 peak 984 spectrum 1 weight 0.10000E+01 volume 0.68822E-03 ppm1 7.550 ppm2 1.965 CV 1 OR { 984} (( segid " " and resid 41 and name HN )) (( segid " " and resid 44 and name HB2 )) ASSI { 986} (( segid " " and resid 41 and name HN )) ( segid " " and resid 63 and name HD2%) 4.300 2.300 1.700 peak 986 spectrum 1 weight 0.10000E+01 volume 0.88218E-03 ppm1 7.550 ppm2 0.967 CV 1 OR { 986} (( segid " " and resid 41 and name HN )) ( segid " " and resid 19 and name HG1%) ASSI { 1002} (( segid " " and resid 43 and name HN )) (( segid " " and resid 18 and name HA )) 3.400 3.400 2.600 peak 1002 spectrum 1 weight 0.10000E+01 volume 0.18864E-02 ppm1 8.489 ppm2 4.744 CV 1 OR { 1002} (( segid " " and resid 43 and name HN )) (( segid " " and resid 63 and name HA )) ASSI { 1007} (( segid " " and resid 43 and name HN )) (( segid " " and resid 44 and name HB3 )) 4.200 2.200 1.800 peak 1007 spectrum 1 weight 0.10000E+01 volume 0.97924E-03 ppm1 8.490 ppm2 1.588 CV 1 OR { 1007} (( segid " " and resid 43 and name HN )) (( segid " " and resid 65 and name HB3 )) OR { 1007} (( segid " " and resid 43 and name HN )) (( segid " " and resid 65 and name HG2 )) ASSI { 1012} (( segid " " and resid 44 and name HN )) (( segid " " and resid 42 and name HN )) 4.500 2.500 1.500 peak 1012 spectrum 1 weight 0.10000E+01 volume 0.55684E-03 ppm1 6.908 ppm2 7.727 CV 1 OR { 1012} (( segid " " and resid 44 and name HN )) (( segid " " and resid 46 and name HN )) ASSI { 1021} (( segid " " and resid 44 and name HN )) (( segid " " and resid 43 and name HG3 )) 3.100 3.100 2.900 peak 1021 spectrum 1 weight 0.10000E+01 volume 0.58956E-03 ppm1 6.908 ppm2 2.123 CV 1 OR { 1021} (( segid " " and resid 44 and name HN )) (( segid " " and resid 42 and name HB2 )) ASSI { 1022} (( segid " " and resid 44 and name HN )) (( segid " " and resid 43 and name HB2 )) 4.200 2.200 1.800 peak 1022 spectrum 1 weight 0.10000E+01 volume 0.69072E-03 ppm1 6.908 ppm2 2.190 CV 1 OR { 1022} (( segid " " and resid 44 and name HN )) (( segid " " and resid 45 and name HB2 )) ASSI { 1024} (( segid " " and resid 44 and name HN )) (( segid " " and resid 66 and name HG )) 4.200 2.200 1.800 peak 1024 spectrum 1 weight 0.10000E+01 volume 0.95990E-03 ppm1 6.908 ppm2 1.386 CV 1 OR { 1024} (( segid " " and resid 44 and name HN )) (( segid " " and resid 61 and name HG3 )) ASSI { 1032} (( segid " " and resid 45 and name HN )) (( segid " " and resid 47 and name HB2 )) 4.500 2.500 1.500 peak 1032 spectrum 1 weight 0.10000E+01 volume 0.45751E-03 ppm1 9.237 ppm2 1.769 CV 1 OR { 1032} (( segid " " and resid 45 and name HN )) (( segid " " and resid 67 and name HG2 )) OR { 1032} (( segid " " and resid 45 and name HN )) (( segid " " and resid 63 and name HB2 )) ASSI { 1033} (( segid " " and resid 45 and name HN )) (( segid " " and resid 20 and name HG3 )) 3.800 1.800 1.800 peak 1033 spectrum 1 weight 0.10000E+01 volume 0.87366E-03 ppm1 9.237 ppm2 1.589 CV 1 OR { 1033} (( segid " " and resid 45 and name HN )) (( segid " " and resid 44 and name HB3 )) OR { 1033} (( segid " " and resid 45 and name HN )) (( segid " " and resid 20 and name HG2 )) ASSI { 1034} (( segid " " and resid 45 and name HN )) (( segid " " and resid 66 and name HG )) 4.200 2.200 1.800 peak 1034 spectrum 1 weight 0.10000E+01 volume 0.85668E-03 ppm1 9.237 ppm2 1.378 CV 1 OR { 1034} (( segid " " and resid 45 and name HN )) (( segid " " and resid 68 and name HG2 )) OR { 1034} (( segid " " and resid 45 and name HN )) (( segid " " and resid 68 and name HD2 )) ASSI { 1037} (( segid " " and resid 46 and name HN )) (( segid " " and resid 22 and name HN )) 4.000 2.000 2.000 peak 1037 spectrum 1 weight 0.10000E+01 volume 0.97082E-03 ppm1 7.737 ppm2 8.156 CV 1 OR { 1037} (( segid " " and resid 46 and name HN )) (( segid " " and resid 68 and name HN )) ASSI { 1046} (( segid " " and resid 46 and name HN )) (( segid " " and resid 21 and name HG2 )) 4.100 2.100 1.900 peak 1046 spectrum 1 weight 0.10000E+01 volume 0.76323E-03 ppm1 7.737 ppm2 2.353 CV 1 OR { 1046} (( segid " " and resid 46 and name HN )) (( segid " " and resid 45 and name HG3 )) ASSI { 1050} (( segid " " and resid 46 and name HN )) (( segid " " and resid 66 and name HG )) 3.800 1.800 1.800 peak 1050 spectrum 1 weight 0.10000E+01 volume 0.15553E-02 ppm1 7.737 ppm2 1.377 CV 1 OR { 1050} (( segid " " and resid 46 and name HN )) (( segid " " and resid 68 and name HG2 )) OR { 1050} (( segid " " and resid 46 and name HN )) (( segid " " and resid 68 and name HD2 )) ASSI { 1051} (( segid " " and resid 46 and name HN )) ( segid " " and resid 44 and name HD2%) 3.200 1.300 1.300 peak 1051 spectrum 1 weight 0.10000E+01 volume 0.27795E-02 ppm1 7.737 ppm2 0.785 CV 1 OR { 1051} (( segid " " and resid 46 and name HN )) ( segid " " and resid 66 and name HD2%) ASSI { 1052} (( segid " " and resid 47 and name HN )) (( segid " " and resid 68 and name HN )) 3.800 1.800 1.800 peak 1052 spectrum 1 weight 0.10000E+01 volume 0.78512E-03 ppm1 7.941 ppm2 8.158 CV 1 OR { 1052} (( segid " " and resid 47 and name HN )) (( segid " " and resid 22 and name HN )) ASSI { 1058} (( segid " " and resid 47 and name HN )) ( segid " " and resid 69 and name HD2%) 3.600 1.600 1.600 peak 1058 spectrum 1 weight 0.10000E+01 volume 0.14231E-02 ppm1 7.942 ppm2 0.854 CV 1 OR { 1058} (( segid " " and resid 47 and name HN )) ( segid " " and resid 44 and name HD1%) ASSI { 1060} (( segid " " and resid 47 and name HN )) (( segid " " and resid 68 and name HG2 )) 4.300 2.300 1.700 peak 1060 spectrum 1 weight 0.10000E+01 volume 0.84335E-03 ppm1 7.942 ppm2 1.365 CV 1 OR { 1060} (( segid " " and resid 47 and name HN )) (( segid " " and resid 68 and name HD2 )) OR { 1060} (( segid " " and resid 47 and name HN )) (( segid " " and resid 66 and name HG )) OR { 1060} (( segid " " and resid 47 and name HN )) (( segid " " and resid 69 and name HB3 )) ASSI { 1067} (( segid " " and resid 17 and name HN )) (( segid " " and resid 15 and name HA )) 3.700 1.800 1.800 peak 1067 spectrum 1 weight 0.10000E+01 volume 0.18103E-02 ppm1 7.813 ppm2 4.735 CV 1 OR { 1067} (( segid " " and resid 17 and name HN )) (( segid " " and resid 18 and name HA )) ASSI { 1074} (( segid " " and resid 17 and name HN )) ( segid " " and resid 15 and name HG2%) 2.500 2.500 3.500 peak 1074 spectrum 1 weight 0.10000E+01 volume 0.26941E-02 ppm1 7.813 ppm2 1.226 CV 1 OR { 1074} (( segid " " and resid 17 and name HN )) ( segid " " and resid 38 and name HG2%) ASSI { 1076} (( segid " " and resid 17 and name HN )) ( segid " " and resid 19 and name HG2%) 4.600 2.700 1.400 peak 1076 spectrum 1 weight 0.10000E+01 volume 0.51640E-03 ppm1 7.813 ppm2 0.974 CV 1 OR { 1076} (( segid " " and resid 17 and name HN )) ( segid " " and resid 11 and name HD1%) ASSI { 1084} (( segid " " and resid 18 and name HN )) (( segid " " and resid 16 and name HD2 )) 4.200 2.300 1.800 peak 1084 spectrum 1 weight 0.10000E+01 volume 0.74990E-03 ppm1 7.863 ppm2 3.838 CV 1 OR { 1084} (( segid " " and resid 18 and name HN )) (( segid " " and resid 19 and name HA )) ASSI { 1087} (( segid " " and resid 18 and name HN )) (( segid " " and resid 14 and name HB2 )) 4.600 2.600 1.400 peak 1087 spectrum 1 weight 0.10000E+01 volume 0.45084E-03 ppm1 7.863 ppm2 1.955 CV 1 OR { 1087} (( segid " " and resid 18 and name HN )) (( segid " " and resid 40 and name HB2 )) ASSI { 1089} (( segid " " and resid 18 and name HN )) (( segid " " and resid 43 and name HB3 )) 4.600 2.700 1.400 peak 1089 spectrum 1 weight 0.10000E+01 volume 0.43869E-03 ppm1 7.863 ppm2 1.704 CV 1 OR { 1089} (( segid " " and resid 18 and name HN )) (( segid " " and resid 14 and name HG3 )) ASSI { 1096} (( segid " " and resid 19 and name HN )) (( segid " " and resid 20 and name HN )) 4.100 2.100 1.900 peak 1096 spectrum 1 weight 0.10000E+01 volume 0.86524E-03 ppm1 7.238 ppm2 8.621 CV 1 OR { 1096} (( segid " " and resid 131 and name HN )) (( segid " " and resid 134 and name HN )) ASSI { 1102} (( segid " " and resid 19 and name HN )) (( segid " " and resid 14 and name HB2 )) 4.600 2.600 1.400 peak 1102 spectrum 1 weight 0.10000E+01 volume 0.49329E-03 ppm1 7.238 ppm2 1.934 CV 1 OR { 1102} (( segid " " and resid 131 and name HN )) (( segid " " and resid 133 and name HB3 )) OR { 1102} (( segid " " and resid 19 and name HN )) (( segid " " and resid 20 and name HB3 )) OR { 1102} (( segid " " and resid 19 and name HN )) (( segid " " and resid 11 and name HG )) ASSI { 1106} (( segid " " and resid 131 and name HN )) (( segid " " and resid 128 and name HB3 )) 4.300 2.300 1.700 peak 1106 spectrum 1 weight 0.10000E+01 volume 0.11121E-02 ppm1 7.249 ppm2 1.584 CV 1 OR { 1106} (( segid " " and resid 131 and name HN )) (( segid " " and resid 125 and name HB )) OR { 1106} (( segid " " and resid 131 and name HN )) (( segid " " and resid 132 and name HB3 )) ASSI { 1107} (( segid " " and resid 131 and name HN )) (( segid " " and resid 132 and name HG2 )) 4.700 2.700 1.300 peak 1107 spectrum 1 weight 0.10000E+01 volume 0.60409E-03 ppm1 7.249 ppm2 1.719 CV 1 OR { 1107} (( segid " " and resid 19 and name HN )) (( segid " " and resid 43 and name HB3 )) OR { 1107} (( segid " " and resid 131 and name HN )) (( segid " " and resid 132 and name HB2 )) ASSI { 1108} (( segid " " and resid 131 and name HN )) ( segid " " and resid 130 and name HB% ) 3.700 1.700 1.700 peak 1108 spectrum 1 weight 0.10000E+01 volume 0.18450E-02 ppm1 7.249 ppm2 1.347 CV 1 OR { 1108} (( segid " " and resid 131 and name HN )) (( segid " " and resid 132 and name HG3 )) ASSI { 1109} (( segid " " and resid 131 and name HN )) ( segid " " and resid 125 and name HG2%) 4.700 2.800 1.300 peak 1109 spectrum 1 weight 0.10000E+01 volume 0.79730E-03 ppm1 7.249 ppm2 0.704 CV 1 OR { 1109} (( segid " " and resid 131 and name HN )) ( segid " " and resid 103 and name HD2%) OR { 1109} (( segid " " and resid 19 and name HN )) ( segid " " and resid 22 and name HD2%) OR { 1109} (( segid " " and resid 131 and name HN )) ( segid " " and resid 135 and name HG1%) ASSI { 1112} (( segid " " and resid 19 and name HN )) (( segid " " and resid 18 and name HB3 )) 3.800 1.800 1.800 peak 1112 spectrum 1 weight 0.10000E+01 volume 0.14792E-02 ppm1 7.238 ppm2 2.782 CV 1 OR { 1112} (( segid " " and resid 131 and name HN )) (( segid " " and resid 132 and name HA )) ASSI { 1113} (( segid " " and resid 131 and name HN )) (( segid " " and resid 126 and name HA )) 4.700 2.800 1.300 peak 1113 spectrum 1 weight 0.10000E+01 volume 0.51505E-03 ppm1 7.249 ppm2 2.428 CV 1 OR { 1113} (( segid " " and resid 131 and name HN )) (( segid " " and resid 134 and name HB3 )) ASSI { 1116} (( segid " " and resid 49 and name HN )) (( segid " " and resid 50 and name HN )) 3.300 1.400 1.400 peak 1116 spectrum 1 weight 0.10000E+01 volume 0.11069E-02 ppm1 9.084 ppm2 8.259 CV 1 OR { 1116} (( segid " " and resid 49 and name HN )) (( segid " " and resid 48 and name HN )) ASSI { 1119} (( segid " " and resid 49 and name HN )) (( segid " " and resid 71 and name HA )) 3.700 1.700 1.700 peak 1119 spectrum 1 weight 0.10000E+01 volume 0.69503E-03 ppm1 9.084 ppm2 4.478 CV 1 OR { 1119} (( segid " " and resid 49 and name HN )) (( segid " " and resid 25 and name HA )) ASSI { 1126} (( segid " " and resid 49 and name HN )) ( segid " " and resid 52 and name HG1%) 3.700 1.700 1.700 peak 1126 spectrum 1 weight 0.10000E+01 volume 0.18063E-02 ppm1 9.084 ppm2 0.724 CV 1 OR { 1126} (( segid " " and resid 49 and name HN )) ( segid " " and resid 71 and name HD2%) OR { 1126} (( segid " " and resid 49 and name HN )) ( segid " " and resid 50 and name HG2%) OR { 1126} (( segid " " and resid 49 and name HN )) ( segid " " and resid 52 and name HG2%) OR { 1126} (( segid " " and resid 49 and name HN )) ( segid " " and resid 47 and name HD2%) ASSI { 1128} (( segid " " and resid 48 and name HN )) (( segid " " and resid 23 and name HA )) 3.100 1.200 1.200 peak 1128 spectrum 1 weight 0.10000E+01 volume 0.14498E-02 ppm1 8.271 ppm2 4.173 CV 1 OR { 1128} (( segid " " and resid 6 and name HN )) (( segid " " and resid 5 and name HA )) ASSI { 1131} (( segid " " and resid 48 and name HN )) ( segid " " and resid 47 and name HD2%) 3.100 1.200 1.200 peak 1131 spectrum 1 weight 0.10000E+01 volume 0.36593E-02 ppm1 8.271 ppm2 0.713 CV 1 OR { 1131} (( segid " " and resid 6 and name HN )) (( segid " " and resid 7 and name HG13)) OR { 1131} (( segid " " and resid 6 and name HN )) ( segid " " and resid 24 and name HD1%) OR { 1131} (( segid " " and resid 6 and name HN )) ( segid " " and resid 24 and name HD2%) ASSI { 1135} (( segid " " and resid 6 and name HN )) (( segid " " and resid 24 and name HG )) 4.400 2.400 1.600 peak 1135 spectrum 1 weight 0.10000E+01 volume 0.53108E-03 ppm1 8.271 ppm2 1.360 CV 1 OR { 1135} (( segid " " and resid 48 and name HN )) (( segid " " and resid 69 and name HG )) OR { 1135} (( segid " " and resid 48 and name HN )) (( segid " " and resid 69 and name HB3 )) OR { 1135} (( segid " " and resid 48 and name HN )) (( segid " " and resid 68 and name HD2 )) OR { 1135} (( segid " " and resid 48 and name HN )) (( segid " " and resid 68 and name HG2 )) ASSI { 1145} (( segid " " and resid 50 and name HN )) (( segid " " and resid 25 and name HB3 )) 4.300 2.400 1.700 peak 1145 spectrum 1 weight 0.10000E+01 volume 0.57487E-03 ppm1 8.261 ppm2 2.401 CV 1 OR { 1145} (( segid " " and resid 50 and name HN )) (( segid " " and resid 70 and name HG3 )) ASSI { 1146} (( segid " " and resid 50 and name HN )) (( segid " " and resid 25 and name HB2 )) 4.100 2.100 1.900 peak 1146 spectrum 1 weight 0.10000E+01 volume 0.99256E-03 ppm1 8.261 ppm2 2.532 CV 1 OR { 1146} (( segid " " and resid 50 and name HN )) (( segid " " and resid 70 and name HB2 )) ASSI { 1159} (( segid " " and resid 54 and name HN )) ( segid " " and resid 52 and name HG2%) 3.200 1.300 1.300 peak 1159 spectrum 1 weight 0.10000E+01 volume 0.30585E-02 ppm1 8.570 ppm2 0.753 CV 1 OR { 1159} (( segid " " and resid 54 and name HN )) ( segid " " and resid 54 and name HD1%) ASSI { 1164} (( segid " " and resid 55 and name HN )) (( segid " " and resid 75 and name HB3 )) 4.800 2.900 1.200 peak 1164 spectrum 1 weight 0.10000E+01 volume 0.55428E-03 ppm1 10.124 ppm2 1.573 CV 1 OR { 1164} (( segid " " and resid 55 and name HN )) (( segid " " and resid 54 and name HG )) ASSI { 1165} (( segid " " and resid 55 and name HN )) ( segid " " and resid 54 and name HD1%) 4.500 2.500 1.500 peak 1165 spectrum 1 weight 0.10000E+01 volume 0.10011E-02 ppm1 10.124 ppm2 0.749 CV 1 OR { 1165} (( segid " " and resid 55 and name HN )) ( segid " " and resid 76 and name HD1%) OR { 1165} (( segid " " and resid 55 and name HN )) ( segid " " and resid 52 and name HG2%) ASSI { 1172} (( segid " " and resid 57 and name HN )) (( segid " " and resid 56 and name HB2 )) 4.200 2.200 1.800 peak 1172 spectrum 1 weight 0.10000E+01 volume 0.48715E-03 ppm1 8.830 ppm2 4.046 CV 1 OR { 1172} (( segid " " and resid 57 and name HN )) (( segid " " and resid 58 and name HA )) ASSI { 1177} (( segid " " and resid 57 and name HN )) ( segid " " and resid 57 and name HD1%) 4.400 2.400 1.600 peak 1177 spectrum 1 weight 0.10000E+01 volume 0.91861E-03 ppm1 8.830 ppm2 0.742 CV 1 OR { 1177} (( segid " " and resid 57 and name HN )) ( segid " " and resid 76 and name HD1%) ASSI { 1185} (( segid " " and resid 58 and name HN )) (( segid " " and resid 79 and name HB3 )) 4.000 2.000 2.000 peak 1185 spectrum 1 weight 0.10000E+01 volume 0.73026E-03 ppm1 8.520 ppm2 2.951 CV 1 OR { 1185} (( segid " " and resid 58 and name HN )) (( segid " " and resid 79 and name HB2 )) OR { 1185} (( segid " " and resid 58 and name HN )) (( segid " " and resid 59 and name HB2 )) ASSI { 1187} (( segid " " and resid 58 and name HN )) (( segid " " and resid 57 and name HG13)) 3.600 1.700 1.700 peak 1187 spectrum 1 weight 0.10000E+01 volume 0.14365E-02 ppm1 8.520 ppm2 1.066 CV 1 OR { 1187} (( segid " " and resid 58 and name HN )) ( segid " " and resid 82 and name HG1%) ASSI { 1190} (( segid " " and resid 58 and name HN )) ( segid " " and resid 57 and name HD1%) 4.300 2.300 1.700 peak 1190 spectrum 1 weight 0.10000E+01 volume 0.90408E-03 ppm1 8.520 ppm2 0.738 CV 1 OR { 1190} (( segid " " and resid 58 and name HN )) ( segid " " and resid 60 and name HD1%) ASSI { 1194} (( segid " " and resid 59 and name HN )) (( segid " " and resid 58 and name HB2 )) 4.100 2.100 1.900 peak 1194 spectrum 1 weight 0.10000E+01 volume 0.64267E-03 ppm1 8.045 ppm2 3.956 CV 1 OR { 1194} (( segid " " and resid 59 and name HN )) (( segid " " and resid 60 and name HA )) ASSI { 1195} (( segid " " and resid 59 and name HN )) (( segid " " and resid 58 and name HB3 )) 4.300 2.300 1.700 peak 1195 spectrum 1 weight 0.10000E+01 volume 0.48969E-03 ppm1 8.045 ppm2 3.855 CV 1 OR { 1195} (( segid " " and resid 148 and name HN )) (( segid " " and resid 154 and name HA )) ASSI { 1197} (( segid " " and resid 59 and name HN )) ( segid " " and resid 34 and name HD1%) 4.100 2.100 1.900 peak 1197 spectrum 1 weight 0.10000E+01 volume 0.70024E-03 ppm1 8.045 ppm2 0.715 CV 1 OR { 1197} (( segid " " and resid 59 and name HN )) ( segid " " and resid 60 and name HD2%) OR { 1197} (( segid " " and resid 59 and name HN )) ( segid " " and resid 60 and name HD1%) OR { 1197} (( segid " " and resid 59 and name HN )) ( segid " " and resid 57 and name HD1%) ASSI { 1203} (( segid " " and resid 60 and name HN )) (( segid " " and resid 59 and name HB2 )) 4.300 2.300 1.700 peak 1203 spectrum 1 weight 0.10000E+01 volume 0.63240E-03 ppm1 7.286 ppm2 2.956 CV 1 OR { 1203} (( segid " " and resid 60 and name HN )) (( segid " " and resid 86 and name HE3 )) ASSI { 1217} (( segid " " and resid 139 and name HN )) (( segid " " and resid 110 and name HA )) 4.800 2.900 1.200 peak 1217 spectrum 1 weight 0.10000E+01 volume 0.48662E-03 ppm1 7.919 ppm2 3.950 CV 1 OR { 1217} (( segid " " and resid 139 and name HN )) (( segid " " and resid 107 and name HA )) ASSI { 1225} (( segid " " and resid 139 and name HN )) (( segid " " and resid 109 and name HB2 )) 4.600 2.700 1.400 peak 1225 spectrum 1 weight 0.10000E+01 volume 0.77179E-03 ppm1 7.919 ppm2 2.180 CV 1 OR { 1225} (( segid " " and resid 139 and name HN )) (( segid " " and resid 142 and name HB )) OR { 1225} (( segid " " and resid 139 and name HN )) (( segid " " and resid 141 and name HB2 )) ASSI { 1226} (( segid " " and resid 62 and name HN )) (( segid " " and resid 86 and name HB2 )) 4.700 2.700 1.300 peak 1226 spectrum 1 weight 0.10000E+01 volume 0.48421E-03 ppm1 7.919 ppm2 2.331 CV 1 OR { 1226} (( segid " " and resid 139 and name HN )) (( segid " " and resid 140 and name HB2 )) ASSI { 1228} (( segid " " and resid 139 and name HN )) (( segid " " and resid 139 and name HG )) 2.600 0.800 0.800 peak 1228 spectrum 1 weight 0.10000E+01 volume 0.63776E-02 ppm1 7.919 ppm2 1.459 CV 1 OR { 1228} (( segid " " and resid 62 and name HN )) (( segid " " and resid 62 and name HG3 )) OR { 1228} (( segid " " and resid 62 and name HN )) (( segid " " and resid 61 and name HG3 )) ASSI { 1229} (( segid " " and resid 62 and name HN )) (( segid " " and resid 61 and name HG2 )) 3.500 1.500 1.500 peak 1229 spectrum 1 weight 0.10000E+01 volume 0.30438E-02 ppm1 7.919 ppm2 1.539 CV 1 OR { 1229} (( segid " " and resid 62 and name HN )) (( segid " " and resid 62 and name HG2 )) ASSI { 1231} (( segid " " and resid 139 and name HN )) ( segid " " and resid 139 and name HD2%) 3.200 1.300 1.300 peak 1231 spectrum 1 weight 0.10000E+01 volume 0.36887E-02 ppm1 7.916 ppm2 0.749 CV 1 OR { 1231} (( segid " " and resid 139 and name HN )) ( segid " " and resid 142 and name HG2%) OR { 1231} (( segid " " and resid 62 and name HN )) ( segid " " and resid 63 and name HD1%) ASSI { 1237} (( segid " " and resid 63 and name HN )) (( segid " " and resid 86 and name HA )) 3.800 1.800 1.800 peak 1237 spectrum 1 weight 0.10000E+01 volume 0.11155E-02 ppm1 8.585 ppm2 4.325 CV 1 OR { 1237} (( segid " " and resid 63 and name HN )) (( segid " " and resid 64 and name HA )) ASSI { 1239} (( segid " " and resid 63 and name HN )) (( segid " " and resid 64 and name HB3 )) 4.800 2.800 1.200 peak 1239 spectrum 1 weight 0.10000E+01 volume 0.43869E-03 ppm1 8.585 ppm2 2.786 CV 1 OR { 1239} (( segid " " and resid 63 and name HN )) (( segid " " and resid 64 and name HB2 )) OR { 1239} (( segid " " and resid 63 and name HN )) (( segid " " and resid 87 and name HB3 )) ASSI { 1241} (( segid " " and resid 63 and name HN )) (( segid " " and resid 62 and name HB2 )) 4.400 2.400 1.600 peak 1241 spectrum 1 weight 0.10000E+01 volume 0.10109E-02 ppm1 8.585 ppm2 1.859 CV 1 OR { 1241} (( segid " " and resid 63 and name HN )) (( segid " " and resid 66 and name HB2 )) ASSI { 1242} (( segid " " and resid 63 and name HN )) (( segid " " and resid 61 and name HG2 )) 3.300 1.300 1.300 peak 1242 spectrum 1 weight 0.10000E+01 volume 0.24912E-02 ppm1 8.585 ppm2 1.522 CV 1 OR { 1242} (( segid " " and resid 63 and name HN )) (( segid " " and resid 62 and name HG2 )) ASSI { 1246} (( segid " " and resid 64 and name HN )) (( segid " " and resid 42 and name HA )) 3.600 1.600 1.600 peak 1246 spectrum 1 weight 0.10000E+01 volume 0.10846E-02 ppm1 8.943 ppm2 4.212 CV 1 OR { 1246} (( segid " " and resid 64 and name HN )) (( segid " " and resid 62 and name HA )) ASSI { 1252} (( segid " " and resid 64 and name HN )) (( segid " " and resid 65 and name HB2 )) 4.400 2.400 1.600 peak 1252 spectrum 1 weight 0.10000E+01 volume 0.67794E-03 ppm1 8.943 ppm2 1.848 CV 1 OR { 1252} (( segid " " and resid 64 and name HN )) (( segid " " and resid 66 and name HB2 )) ASSI { 1254} (( segid " " and resid 64 and name HN )) (( segid " " and resid 63 and name HB3 )) 4.100 2.100 1.900 peak 1254 spectrum 1 weight 0.10000E+01 volume 0.11790E-02 ppm1 8.943 ppm2 1.596 CV 1 OR { 1254} (( segid " " and resid 64 and name HN )) (( segid " " and resid 65 and name HG2 )) OR { 1254} (( segid " " and resid 64 and name HN )) (( segid " " and resid 65 and name HB3 )) ASSI { 1273} (( segid " " and resid 66 and name HN )) (( segid " " and resid 89 and name HB2 )) 3.800 1.800 1.800 peak 1273 spectrum 1 weight 0.10000E+01 volume 0.56806E-03 ppm1 6.948 ppm2 2.790 CV 1 OR { 1273} (( segid " " and resid 66 and name HN )) (( segid " " and resid 64 and name HB2 )) OR { 1273} (( segid " " and resid 66 and name HN )) (( segid " " and resid 64 and name HB3 )) ASSI { 1274} (( segid " " and resid 66 and name HN )) (( segid " " and resid 63 and name HB3 )) 3.300 1.400 1.400 peak 1274 spectrum 1 weight 0.10000E+01 volume 0.15873E-02 ppm1 6.948 ppm2 1.581 CV 1 OR { 1274} (( segid " " and resid 66 and name HN )) (( segid " " and resid 65 and name HB3 )) ASSI { 1276} (( segid " " and resid 66 and name HN )) ( segid " " and resid 90 and name HD2%) 5.100 3.200 0.900 peak 1276 spectrum 1 weight 0.10000E+01 volume 0.45497E-03 ppm1 6.948 ppm2 0.843 CV 1 OR { 1276} (( segid " " and resid 66 and name HN )) ( segid " " and resid 44 and name HD1%) OR { 1276} (( segid " " and resid 66 and name HN )) ( segid " " and resid 69 and name HD2%) ASSI { 1281} (( segid " " and resid 67 and name HN )) (( segid " " and resid 67 and name HG2 )) 3.400 1.400 1.400 peak 1281 spectrum 1 weight 0.10000E+01 volume 0.12493E-02 ppm1 9.161 ppm2 1.802 CV 1 OR { 1281} (( segid " " and resid 67 and name HN )) (( segid " " and resid 63 and name HB2 )) ASSI { 1282} (( segid " " and resid 67 and name HN )) (( segid " " and resid 66 and name HG )) 4.200 2.200 1.800 peak 1282 spectrum 1 weight 0.10000E+01 volume 0.11000E-02 ppm1 9.161 ppm2 1.378 CV 1 OR { 1282} (( segid " " and resid 67 and name HN )) (( segid " " and resid 68 and name HG2 )) ASSI { 1284} (( segid " " and resid 67 and name HN )) ( segid " " and resid 90 and name HD2%) 4.100 2.100 1.900 peak 1284 spectrum 1 weight 0.10000E+01 volume 0.58435E-03 ppm1 9.161 ppm2 0.866 CV 1 OR { 1284} (( segid " " and resid 67 and name HN )) ( segid " " and resid 69 and name HD2%) ASSI { 1286} (( segid " " and resid 69 and name HN )) (( segid " " and resid 68 and name HN )) 3.800 1.800 1.800 peak 1286 spectrum 1 weight 0.10000E+01 volume 0.12563E-02 ppm1 8.308 ppm2 8.190 CV 1 OR { 1286} (( segid " " and resid 69 and name HN )) (( segid " " and resid 92 and name HN )) OR { 1286} (( segid " " and resid 69 and name HN )) (( segid " " and resid 93 and name HN )) ASSI { 1287} (( segid " " and resid 69 and name HN )) (( segid " " and resid 70 and name HN )) 4.300 2.300 1.700 peak 1287 spectrum 1 weight 0.10000E+01 volume 0.54907E-03 ppm1 8.308 ppm2 8.920 CV 1 OR { 1287} (( segid " " and resid 69 and name HN )) (( segid " " and resid 91 and name HN )) ASSI { 1289} (( segid " " and resid 69 and name HN )) ( segid " " and resid 90 and name HD2%) 3.100 1.200 1.200 peak 1289 spectrum 1 weight 0.10000E+01 volume 0.28796E-02 ppm1 8.309 ppm2 0.875 CV 1 OR { 1289} (( segid " " and resid 69 and name HN )) ( segid " " and resid 90 and name HD1%) OR { 1289} (( segid " " and resid 69 and name HN )) ( segid " " and resid 69 and name HD2%) ASSI { 1290} (( segid " " and resid 69 and name HN )) ( segid " " and resid 66 and name HD2%) 3.900 1.900 1.900 peak 1290 spectrum 1 weight 0.10000E+01 volume 0.10083E-02 ppm1 8.309 ppm2 0.778 CV 1 OR { 1290} (( segid " " and resid 69 and name HN )) ( segid " " and resid 69 and name HD1%) OR { 1290} (( segid " " and resid 69 and name HN )) ( segid " " and resid 93 and name HD1%) ASSI { 1298} (( segid " " and resid 70 and name HN )) ( segid " " and resid 71 and name HD1%) 3.700 1.700 1.700 peak 1298 spectrum 1 weight 0.10000E+01 volume 0.93319E-03 ppm1 8.934 ppm2 0.728 CV 1 OR { 1298} (( segid " " and resid 70 and name HN )) ( segid " " and resid 47 and name HD2%) OR { 1298} (( segid " " and resid 70 and name HN )) ( segid " " and resid 71 and name HD2%) ASSI { 1307} (( segid " " and resid 70 and name HN )) ( segid " " and resid 46 and name HE% ) 4.100 2.100 1.900 peak 1307 spectrum 1 weight 0.10000E+01 volume 0.46058E-03 ppm1 8.935 ppm2 7.192 CV 1 OR { 1307} (( segid " " and resid 70 and name HN )) (( segid " " and resid 74 and name HD22)) ASSI { 1308} (( segid " " and resid 70 and name HN )) (( segid " " and resid 69 and name HN )) 4.200 2.200 1.800 peak 1308 spectrum 1 weight 0.10000E+01 volume 0.53279E-03 ppm1 8.935 ppm2 8.295 CV 1 OR { 1308} (( segid " " and resid 70 and name HN )) (( segid " " and resid 48 and name HN )) ASSI { 1309} (( segid " " and resid 71 and name HN )) ( segid " " and resid 71 and name HD1%) 3.600 1.600 1.600 peak 1309 spectrum 1 weight 0.10000E+01 volume 0.16381E-02 ppm1 8.336 ppm2 0.730 CV 1 OR { 1309} (( segid " " and resid 71 and name HN )) ( segid " " and resid 71 and name HD2%) OR { 1309} (( segid " " and resid 71 and name HN )) ( segid " " and resid 93 and name HD1%) ASSI { 1310} (( segid " " and resid 71 and name HN )) ( segid " " and resid 93 and name HD2%) 4.500 2.500 1.500 peak 1310 spectrum 1 weight 0.10000E+01 volume 0.59462E-03 ppm1 8.336 ppm2 0.919 CV 1 OR { 1310} (( segid " " and resid 71 and name HN )) (( segid " " and resid 76 and name HG13)) OR { 1310} (( segid " " and resid 71 and name HN )) ( segid " " and resid 76 and name HG2%) ASSI { 1311} (( segid " " and resid 71 and name HN )) (( segid " " and resid 71 and name HG )) 3.400 1.500 1.500 peak 1311 spectrum 1 weight 0.10000E+01 volume 0.12683E-02 ppm1 8.336 ppm2 1.371 CV 1 OR { 1311} (( segid " " and resid 71 and name HN )) (( segid " " and resid 93 and name HG )) ASSI { 1317} (( segid " " and resid 71 and name HN )) (( segid " " and resid 70 and name HN )) 4.500 2.500 1.500 peak 1317 spectrum 1 weight 0.10000E+01 volume 0.53374E-03 ppm1 8.336 ppm2 8.939 CV 1 OR { 1317} (( segid " " and resid 71 and name HN )) (( segid " " and resid 95 and name HN )) ASSI { 1322} (( segid " " and resid 72 and name HN )) (( segid " " and resid 50 and name HA )) 3.800 1.800 1.800 peak 1322 spectrum 1 weight 0.10000E+01 volume 0.59807E-03 ppm1 8.251 ppm2 4.252 CV 1 OR { 1322} (( segid " " and resid 72 and name HN )) (( segid " " and resid 95 and name HA )) ASSI { 1325} (( segid " " and resid 72 and name HN )) ( segid " " and resid 50 and name HD1%) 3.500 1.500 1.500 peak 1325 spectrum 1 weight 0.10000E+01 volume 0.17128E-02 ppm1 8.251 ppm2 0.739 CV 1 OR { 1325} (( segid " " and resid 72 and name HN )) ( segid " " and resid 71 and name HD2%) OR { 1325} (( segid " " and resid 72 and name HN )) ( segid " " and resid 71 and name HD1%) OR { 1325} (( segid " " and resid 72 and name HN )) ( segid " " and resid 50 and name HG2%) ASSI { 1326} (( segid " " and resid 72 and name HN )) (( segid " " and resid 76 and name HG13)) 3.900 1.900 1.900 peak 1326 spectrum 1 weight 0.10000E+01 volume 0.97683E-03 ppm1 8.251 ppm2 0.898 CV 1 OR { 1326} (( segid " " and resid 72 and name HN )) ( segid " " and resid 57 and name HG2%) ASSI { 1341} (( segid " " and resid 74 and name HN )) (( segid " " and resid 72 and name HB3 )) 4.700 2.700 1.300 peak 1341 spectrum 1 weight 0.10000E+01 volume 0.51690E-03 ppm1 6.723 ppm2 3.785 CV 1 OR { 1341} (( segid " " and resid 74 and name HN )) (( segid " " and resid 72 and name HB2 )) OR { 1341} (( segid " " and resid 74 and name HN )) (( segid " " and resid 97 and name HA2 )) ASSI { 1343} (( segid " " and resid 74 and name HN )) (( segid " " and resid 97 and name HA1 )) 4.700 2.800 1.300 peak 1343 spectrum 1 weight 0.10000E+01 volume 0.54311E-03 ppm1 6.723 ppm2 4.091 CV 1 OR { 1343} (( segid " " and resid 74 and name HN )) (( segid " " and resid 53 and name HA1 )) OR { 1343} (( segid " " and resid 74 and name HN )) (( segid " " and resid 54 and name HA )) ASSI { 1349} (( segid " " and resid 74 and name HN )) ( segid " " and resid 76 and name HD1%) 4.200 2.200 1.800 peak 1349 spectrum 1 weight 0.10000E+01 volume 0.10966E-02 ppm1 6.723 ppm2 0.740 CV 1 OR { 1349} (( segid " " and resid 74 and name HN )) ( segid " " and resid 52 and name HG2%) OR { 1349} (( segid " " and resid 74 and name HN )) ( segid " " and resid 71 and name HD2%) OR { 1349} (( segid " " and resid 74 and name HN )) ( segid " " and resid 54 and name HD1%) ASSI { 1356} (( segid " " and resid 75 and name HN )) (( segid " " and resid 74 and name HB3 )) 2.700 0.900 0.900 peak 1356 spectrum 1 weight 0.10000E+01 volume 0.55388E-02 ppm1 8.703 ppm2 3.195 CV 1 OR { 1356} (( segid " " and resid 89 and name HN )) (( segid " " and resid 88 and name HD3 )) OR { 1356} (( segid " " and resid 75 and name HN )) (( segid " " and resid 74 and name HB2 )) ASSI { 1357} (( segid " " and resid 75 and name HN )) (( segid " " and resid 76 and name HB )) 4.800 2.900 1.200 peak 1357 spectrum 1 weight 0.10000E+01 volume 0.61010E-03 ppm1 8.702 ppm2 1.643 CV 1 OR { 1357} (( segid " " and resid 89 and name HN )) (( segid " " and resid 90 and name HG )) OR { 1357} (( segid " " and resid 75 and name HN )) (( segid " " and resid 71 and name HB3 )) ASSI { 1358} (( segid " " and resid 75 and name HN )) (( segid " " and resid 75 and name HG3 )) 3.200 1.300 1.300 peak 1358 spectrum 1 weight 0.10000E+01 volume 0.12853E-02 ppm1 8.702 ppm2 1.426 CV 1 OR { 1358} (( segid " " and resid 75 and name HN )) (( segid " " and resid 76 and name HG12)) ASSI { 1361} (( segid " " and resid 75 and name HN )) (( segid " " and resid 76 and name HG13)) 4.800 2.900 1.200 peak 1361 spectrum 1 weight 0.10000E+01 volume 0.70275E-03 ppm1 8.702 ppm2 0.927 CV 1 OR { 1361} (( segid " " and resid 89 and name HN )) ( segid " " and resid 112 and name HD1%) OR { 1361} (( segid " " and resid 89 and name HN )) ( segid " " and resid 90 and name HD1%) ASSI { 1362} (( segid " " and resid 75 and name HN )) ( segid " " and resid 76 and name HD1%) 3.800 1.800 1.800 peak 1362 spectrum 1 weight 0.10000E+01 volume 0.10484E-02 ppm1 8.702 ppm2 0.757 CV 1 OR { 1362} (( segid " " and resid 89 and name HN )) ( segid " " and resid 66 and name HD2%) OR { 1362} (( segid " " and resid 89 and name HN )) ( segid " " and resid 115 and name HD2%) ASSI { 1372} (( segid " " and resid 76 and name HN )) ( segid " " and resid 100 and name HD1%) 4.900 3.000 1.100 peak 1372 spectrum 1 weight 0.10000E+01 volume 0.47447E-03 ppm1 8.912 ppm2 0.668 CV 1 OR { 1372} (( segid " " and resid 76 and name HN )) ( segid " " and resid 71 and name HD2%) OR { 1372} (( segid " " and resid 76 and name HN )) ( segid " " and resid 80 and name HD2%) ASSI { 1374} (( segid " " and resid 77 and name HN )) (( segid " " and resid 78 and name HA2 )) 4.600 2.700 1.400 peak 1374 spectrum 1 weight 0.10000E+01 volume 0.47927E-03 ppm1 9.146 ppm2 4.020 CV 1 OR { 1374} (( segid " " and resid 77 and name HN )) (( segid " " and resid 56 and name HB2 )) ASSI { 1376} (( segid " " and resid 77 and name HN )) (( segid " " and resid 55 and name HA )) 3.500 3.500 2.500 peak 1376 spectrum 1 weight 0.10000E+01 volume 0.40344E-03 ppm1 9.146 ppm2 4.318 CV 1 OR { 1376} (( segid " " and resid 77 and name HN )) (( segid " " and resid 106 and name HA )) ASSI { 1378} (( segid " " and resid 77 and name HN )) ( segid " " and resid 105 and name HG2%) 4.500 2.500 1.500 peak 1378 spectrum 1 weight 0.10000E+01 volume 0.78031E-03 ppm1 9.146 ppm2 1.389 CV 1 OR { 1378} (( segid " " and resid 77 and name HN )) (( segid " " and resid 76 and name HG12)) ASSI { 1381} (( segid " " and resid 77 and name HN )) ( segid " " and resid 80 and name HD2%) 4.400 2.400 1.600 peak 1381 spectrum 1 weight 0.10000E+01 volume 0.66923E-03 ppm1 9.146 ppm2 0.656 CV 1 OR { 1381} (( segid " " and resid 77 and name HN )) ( segid " " and resid 100 and name HD1%) ASSI { 1385} (( segid " " and resid 78 and name HN )) (( segid " " and resid 76 and name HA )) 3.600 1.600 1.600 peak 1385 spectrum 1 weight 0.10000E+01 volume 0.31694E-02 ppm1 7.238 ppm2 3.681 CV 1 OR { 1385} (( segid " " and resid 78 and name HN )) (( segid " " and resid 77 and name HB3 )) ASSI { 1387} (( segid " " and resid 78 and name HN )) ( segid " " and resid 105 and name HG2%) 3.400 1.500 1.500 peak 1387 spectrum 1 weight 0.10000E+01 volume 0.13334E-02 ppm1 7.238 ppm2 1.369 CV 1 OR { 1387} (( segid " " and resid 78 and name HN )) (( segid " " and resid 76 and name HG12)) ASSI { 1389} (( segid " " and resid 78 and name HN )) ( segid " " and resid 76 and name HD1%) 4.400 2.400 1.600 peak 1389 spectrum 1 weight 0.10000E+01 volume 0.12528E-02 ppm1 7.238 ppm2 0.765 CV 1 OR { 1389} (( segid " " and resid 78 and name HN )) ( segid " " and resid 106 and name HG2%) OR { 1389} (( segid " " and resid 78 and name HN )) ( segid " " and resid 57 and name HD1%) OR { 1389} (( segid " " and resid 78 and name HN )) ( segid " " and resid 100 and name HG2%) ASSI { 1390} (( segid " " and resid 78 and name HN )) ( segid " " and resid 80 and name HD2%) 3.500 1.500 1.500 peak 1390 spectrum 1 weight 0.10000E+01 volume 0.13510E-02 ppm1 7.238 ppm2 0.652 CV 1 OR { 1390} (( segid " " and resid 78 and name HN )) ( segid " " and resid 100 and name HD1%) ASSI { 1399} (( segid " " and resid 79 and name HN )) ( segid " " and resid 80 and name HD1%) 5.300 3.500 0.700 peak 1399 spectrum 1 weight 0.10000E+01 volume 0.48902E-03 ppm1 8.645 ppm2 0.813 CV 1 OR { 1399} (( segid " " and resid 79 and name HN )) ( segid " " and resid 83 and name HD1%) ASSI { 1407} (( segid " " and resid 80 and name HN )) (( segid " " and resid 108 and name HG2 )) 3.500 1.600 1.600 peak 1407 spectrum 1 weight 0.10000E+01 volume 0.12923E-02 ppm1 9.026 ppm2 2.061 CV 1 OR { 1407} (( segid " " and resid 80 and name HN )) (( segid " " and resid 108 and name HG3 )) OR { 1407} (( segid " " and resid 80 and name HN )) (( segid " " and resid 81 and name HB3 )) OR { 1407} (( segid " " and resid 80 and name HN )) (( segid " " and resid 81 and name HB2 )) ASSI { 1409} (( segid " " and resid 80 and name HN )) ( segid " " and resid 105 and name HG2%) 3.900 1.900 1.900 peak 1409 spectrum 1 weight 0.10000E+01 volume 0.11103E-02 ppm1 9.026 ppm2 1.363 CV 1 OR { 1409} (( segid " " and resid 80 and name HN )) (( segid " " and resid 57 and name HG12)) OR { 1409} (( segid " " and resid 80 and name HN )) ( segid " " and resid 84 and name HB% ) ASSI { 1416} (( segid " " and resid 81 and name HN )) (( segid " " and resid 79 and name HB3 )) 4.100 2.100 1.900 peak 1416 spectrum 1 weight 0.10000E+01 volume 0.59036E-03 ppm1 10.035 ppm2 2.973 CV 1 OR { 1416} (( segid " " and resid 81 and name HN )) (( segid " " and resid 111 and name HE3 )) OR { 1416} (( segid " " and resid 81 and name HN )) (( segid " " and resid 111 and name HE2 )) ASSI { 1423} (( segid " " and resid 81 and name HN )) ( segid " " and resid 80 and name HD1%) 5.000 3.100 1.000 peak 1423 spectrum 1 weight 0.10000E+01 volume 0.64868E-03 ppm1 10.035 ppm2 0.796 CV 1 OR { 1423} (( segid " " and resid 81 and name HN )) ( segid " " and resid 83 and name HD1%) ASSI { 1429} (( segid " " and resid 82 and name HN )) (( segid " " and resid 79 and name HB3 )) 3.600 1.700 1.700 peak 1429 spectrum 1 weight 0.10000E+01 volume 0.72680E-03 ppm1 7.592 ppm2 2.955 CV 1 OR { 1429} (( segid " " and resid 82 and name HN )) (( segid " " and resid 86 and name HE3 )) ASSI { 1433} (( segid " " and resid 82 and name HN )) (( segid " " and resid 83 and name HG )) 4.100 2.100 1.900 peak 1433 spectrum 1 weight 0.10000E+01 volume 0.93078E-03 ppm1 7.593 ppm2 1.572 CV 1 OR { 1433} (( segid " " and resid 82 and name HN )) (( segid " " and resid 60 and name HB2 )) ASSI { 1434} (( segid " " and resid 82 and name HN )) (( segid " " and resid 80 and name HB3 )) 4.500 2.500 1.500 peak 1434 spectrum 1 weight 0.10000E+01 volume 0.60158E-03 ppm1 7.593 ppm2 1.448 CV 1 OR { 1434} (( segid " " and resid 82 and name HN )) (( segid " " and resid 86 and name HG2 )) OR { 1434} (( segid " " and resid 82 and name HN )) (( segid " " and resid 86 and name HD2 )) ASSI { 1435} (( segid " " and resid 82 and name HN )) ( segid " " and resid 57 and name HD1%) 4.000 2.000 2.000 peak 1435 spectrum 1 weight 0.10000E+01 volume 0.11394E-02 ppm1 7.593 ppm2 0.752 CV 1 OR { 1435} (( segid " " and resid 82 and name HN )) ( segid " " and resid 60 and name HD1%) ASSI { 1436} (( segid " " and resid 82 and name HN )) ( segid " " and resid 83 and name HD2%) 4.600 2.700 1.400 peak 1436 spectrum 1 weight 0.10000E+01 volume 0.87496E-03 ppm1 7.593 ppm2 0.656 CV 1 OR { 1436} (( segid " " and resid 82 and name HN )) ( segid " " and resid 80 and name HD2%) ASSI { 1440} (( segid " " and resid 83 and name HN )) (( segid " " and resid 80 and name HB2 )) 4.600 2.600 1.400 peak 1440 spectrum 1 weight 0.10000E+01 volume 0.55684E-03 ppm1 7.303 ppm2 1.766 CV 1 OR { 1440} (( segid " " and resid 83 and name HN )) (( segid " " and resid 86 and name HB3 )) OR { 1440} (( segid " " and resid 83 and name HN )) (( segid " " and resid 90 and name HB2 )) OR { 1440} (( segid " " and resid 83 and name HN )) (( segid " " and resid 112 and name HB3 )) ASSI { 1441} (( segid " " and resid 83 and name HN )) (( segid " " and resid 85 and name HB2 )) 4.000 2.000 2.000 peak 1441 spectrum 1 weight 0.10000E+01 volume 0.68045E-03 ppm1 7.303 ppm2 2.061 CV 1 OR { 1441} (( segid " " and resid 83 and name HN )) (( segid " " and resid 81 and name HB2 )) OR { 1441} (( segid " " and resid 83 and name HN )) (( segid " " and resid 85 and name HB3 )) OR { 1441} (( segid " " and resid 83 and name HN )) (( segid " " and resid 111 and name HB2 )) ASSI { 1443} (( segid " " and resid 83 and name HN )) (( segid " " and resid 80 and name HB3 )) 4.000 2.000 2.000 peak 1443 spectrum 1 weight 0.10000E+01 volume 0.61611E-03 ppm1 7.303 ppm2 1.461 CV 1 OR { 1443} (( segid " " and resid 83 and name HN )) (( segid " " and resid 86 and name HG2 )) OR { 1443} (( segid " " and resid 83 and name HN )) (( segid " " and resid 86 and name HG3 )) ASSI { 1446} (( segid " " and resid 83 and name HN )) ( segid " " and resid 82 and name HG2%) 3.400 1.500 1.500 peak 1446 spectrum 1 weight 0.10000E+01 volume 0.27661E-02 ppm1 7.303 ppm2 0.966 CV 1 OR { 1446} (( segid " " and resid 83 and name HN )) ( segid " " and resid 112 and name HD1%) ASSI { 1449} (( segid " " and resid 83 and name HN )) (( segid " " and resid 80 and name HA )) 3.000 1.100 1.100 peak 1449 spectrum 1 weight 0.10000E+01 volume 0.20186E-02 ppm1 7.303 ppm2 3.998 CV 1 OR { 1449} (( segid " " and resid 83 and name HN )) (( segid " " and resid 81 and name HA )) ASSI { 1453} (( segid " " and resid 84 and name HN )) (( segid " " and resid 85 and name HA )) 4.900 3.000 1.100 peak 1453 spectrum 1 weight 0.10000E+01 volume 0.61691E-03 ppm1 7.386 ppm2 4.200 CV 1 OR { 1453} (( segid " " and resid 84 and name HN )) (( segid " " and resid 111 and name HA )) ASSI { 1454} (( segid " " and resid 84 and name HN )) (( segid " " and resid 81 and name HA )) 3.100 1.200 1.200 peak 1454 spectrum 1 weight 0.10000E+01 volume 0.13334E-02 ppm1 7.386 ppm2 4.019 CV 1 OR { 1454} (( segid " " and resid 84 and name HN )) (( segid " " and resid 80 and name HA )) ASSI { 1455} (( segid " " and resid 84 and name HN )) (( segid " " and resid 111 and name HB2 )) 4.000 2.000 2.000 peak 1455 spectrum 1 weight 0.10000E+01 volume 0.15820E-02 ppm1 7.386 ppm2 2.068 CV 1 OR { 1455} (( segid " " and resid 84 and name HN )) (( segid " " and resid 85 and name HB2 )) OR { 1455} (( segid " " and resid 84 and name HN )) (( segid " " and resid 81 and name HB2 )) OR { 1455} (( segid " " and resid 84 and name HN )) (( segid " " and resid 85 and name HB3 )) ASSI { 1458} (( segid " " and resid 84 and name HN )) (( segid " " and resid 83 and name HG )) 4.300 2.300 1.700 peak 1458 spectrum 1 weight 0.10000E+01 volume 0.12699E-02 ppm1 7.386 ppm2 1.580 CV 1 OR { 1458} (( segid " " and resid 84 and name HN )) (( segid " " and resid 111 and name HB3 )) ASSI { 1459} (( segid " " and resid 84 and name HN )) (( segid " " and resid 112 and name HG )) 4.000 2.000 2.000 peak 1459 spectrum 1 weight 0.10000E+01 volume 0.87977E-03 ppm1 7.386 ppm2 1.512 CV 1 OR { 1459} (( segid " " and resid 84 and name HN )) (( segid " " and resid 111 and name HG2 )) ASSI { 1461} (( segid " " and resid 84 and name HN )) ( segid " " and resid 112 and name HD1%) 3.700 1.700 1.700 peak 1461 spectrum 1 weight 0.10000E+01 volume 0.12443E-02 ppm1 7.386 ppm2 0.957 CV 1 OR { 1461} (( segid " " and resid 84 and name HN )) ( segid " " and resid 82 and name HG2%) ASSI { 1464} (( segid " " and resid 84 and name HN )) ( segid " " and resid 109 and name HD2%) 3.900 1.900 1.900 peak 1464 spectrum 1 weight 0.10000E+01 volume 0.10760E-02 ppm1 7.386 ppm2 0.741 CV 1 OR { 1464} (( segid " " and resid 84 and name HN )) ( segid " " and resid 60 and name HD1%) OR { 1464} (( segid " " and resid 84 and name HN )) ( segid " " and resid 93 and name HD1%) ASSI { 1469} (( segid " " and resid 85 and name HN )) (( segid " " and resid 84 and name HA )) 2.800 1.000 1.000 peak 1469 spectrum 1 weight 0.10000E+01 volume 0.31987E-02 ppm1 7.007 ppm2 3.922 CV 1 OR { 1469} (( segid " " and resid 85 and name HN )) (( segid " " and resid 82 and name HA )) OR { 1469} (( segid " " and resid 85 and name HN )) (( segid " " and resid 83 and name HA )) ASSI { 1475} (( segid " " and resid 85 and name HN )) ( segid " " and resid 82 and name HG2%) 4.400 2.400 1.600 peak 1475 spectrum 1 weight 0.10000E+01 volume 0.59542E-03 ppm1 7.007 ppm2 0.969 CV 1 OR { 1475} (( segid " " and resid 85 and name HN )) ( segid " " and resid 112 and name HD1%) ASSI { 1480} (( segid " " and resid 86 and name HN )) (( segid " " and resid 85 and name HA )) 3.500 1.500 1.500 peak 1480 spectrum 1 weight 0.10000E+01 volume 0.14912E-02 ppm1 8.175 ppm2 4.194 CV 1 OR { 1480} (( segid " " and resid 86 and name HN )) (( segid " " and resid 62 and name HA )) ASSI { 1481} (( segid " " and resid 86 and name HN )) (( segid " " and resid 83 and name HA )) 3.100 1.200 1.200 peak 1481 spectrum 1 weight 0.10000E+01 volume 0.15366E-02 ppm1 8.175 ppm2 3.919 CV 1 OR { 1481} (( segid " " and resid 86 and name HN )) (( segid " " and resid 84 and name HA )) OR { 1481} (( segid " " and resid 86 and name HN )) (( segid " " and resid 82 and name HA )) ASSI { 1488} (( segid " " and resid 86 and name HN )) ( segid " " and resid 82 and name HG2%) 4.500 2.500 1.500 peak 1488 spectrum 1 weight 0.10000E+01 volume 0.46058E-03 ppm1 8.175 ppm2 0.971 CV 1 OR { 1488} (( segid " " and resid 86 and name HN )) ( segid " " and resid 112 and name HD1%) ASSI { 1494} (( segid " " and resid 87 and name HN )) (( segid " " and resid 85 and name HA )) 3.700 1.700 1.700 peak 1494 spectrum 1 weight 0.10000E+01 volume 0.90528E-03 ppm1 8.456 ppm2 4.219 CV 1 OR { 1494} (( segid " " and resid 87 and name HN )) (( segid " " and resid 88 and name HA )) ASSI { 1495} (( segid " " and resid 87 and name HN )) (( segid " " and resid 84 and name HA )) 2.900 1.100 1.100 peak 1495 spectrum 1 weight 0.10000E+01 volume 0.21560E-02 ppm1 8.456 ppm2 3.913 CV 1 OR { 1495} (( segid " " and resid 87 and name HN )) (( segid " " and resid 83 and name HA )) ASSI { 1500} (( segid " " and resid 87 and name HN )) (( segid " " and resid 88 and name HG3 )) 4.900 2.900 1.100 peak 1500 spectrum 1 weight 0.10000E+01 volume 0.62213E-03 ppm1 8.456 ppm2 1.866 CV 1 OR { 1500} (( segid " " and resid 87 and name HN )) (( segid " " and resid 83 and name HB2 )) ASSI { 1501} (( segid " " and resid 87 and name HN )) (( segid " " and resid 86 and name HB3 )) 3.900 1.900 1.900 peak 1501 spectrum 1 weight 0.10000E+01 volume 0.16915E-02 ppm1 8.456 ppm2 1.764 CV 1 OR { 1501} (( segid " " and resid 87 and name HN )) (( segid " " and resid 90 and name HB2 )) ASSI { 1504} (( segid " " and resid 87 and name HN )) ( segid " " and resid 112 and name HD2%) 3.800 1.800 1.800 peak 1504 spectrum 1 weight 0.10000E+01 volume 0.65645E-03 ppm1 8.456 ppm2 0.847 CV 1 OR { 1504} (( segid " " and resid 87 and name HN )) ( segid " " and resid 90 and name HD2%) ASSI { 1511} (( segid " " and resid 75 and name HN )) (( segid " " and resid 55 and name HA )) 3.800 1.800 1.800 peak 1511 spectrum 1 weight 0.10000E+01 volume 0.74870E-03 ppm1 8.688 ppm2 4.322 CV 1 OR { 1511} (( segid " " and resid 89 and name HN )) (( segid " " and resid 64 and name HA )) ASSI { 1522} (( segid " " and resid 89 and name HN )) ( segid " " and resid 112 and name HD2%) 4.200 2.300 1.800 peak 1522 spectrum 1 weight 0.10000E+01 volume 0.67444E-03 ppm1 8.688 ppm2 0.867 CV 1 OR { 1522} (( segid " " and resid 89 and name HN )) ( segid " " and resid 90 and name HD2%) ASSI { 1523} (( segid " " and resid 75 and name HN )) (( segid " " and resid 76 and name HG13)) 5.100 3.200 0.900 peak 1523 spectrum 1 weight 0.10000E+01 volume 0.46592E-03 ppm1 8.688 ppm2 0.953 CV 1 OR { 1523} (( segid " " and resid 89 and name HN )) ( segid " " and resid 112 and name HD1%) OR { 1523} (( segid " " and resid 75 and name HN )) ( segid " " and resid 76 and name HG2%) ASSI { 1530} (( segid " " and resid 90 and name HN )) (( segid " " and resid 87 and name HB3 )) 3.400 1.500 1.500 peak 1530 spectrum 1 weight 0.10000E+01 volume 0.12133E-02 ppm1 7.178 ppm2 2.821 CV 1 OR { 1530} (( segid " " and resid 90 and name HN )) (( segid " " and resid 89 and name HB2 )) ASSI { 1532} (( segid " " and resid 90 and name HN )) ( segid " " and resid 112 and name HD2%) 3.200 1.300 1.300 peak 1532 spectrum 1 weight 0.10000E+01 volume 0.29757E-02 ppm1 7.177 ppm2 0.861 CV 1 OR { 1532} (( segid " " and resid 90 and name HN )) ( segid " " and resid 90 and name HD2%) ASSI { 1533} (( segid " " and resid 90 and name HN )) (( segid " " and resid 88 and name HG2 )) 4.000 2.000 2.000 peak 1533 spectrum 1 weight 0.10000E+01 volume 0.62558E-03 ppm1 7.177 ppm2 1.994 CV 1 OR { 1533} (( segid " " and resid 90 and name HN )) (( segid " " and resid 112 and name HB2 )) OR { 1533} (( segid " " and resid 90 and name HN )) (( segid " " and resid 69 and name HB2 )) OR { 1533} (( segid " " and resid 90 and name HN )) (( segid " " and resid 67 and name HB3 )) ASSI { 1534} (( segid " " and resid 90 and name HN )) ( segid " " and resid 112 and name HD1%) 3.800 1.800 1.800 peak 1534 spectrum 1 weight 0.10000E+01 volume 0.15847E-02 ppm1 7.177 ppm2 0.927 CV 1 OR { 1534} (( segid " " and resid 90 and name HN )) ( segid " " and resid 90 and name HD1%) ASSI { 1535} (( segid " " and resid 112 and name HN )) ( segid " " and resid 112 and name HD2%) 3.600 1.600 1.600 peak 1535 spectrum 1 weight 0.10000E+01 volume 0.24778E-02 ppm1 7.197 ppm2 0.853 CV 1 OR { 1535} (( segid " " and resid 112 and name HN )) ( segid " " and resid 115 and name HD1%) ASSI { 1536} (( segid " " and resid 112 and name HN )) ( segid " " and resid 109 and name HD2%) 4.100 2.100 1.900 peak 1536 spectrum 1 weight 0.10000E+01 volume 0.12459E-02 ppm1 7.197 ppm2 0.750 CV 1 OR { 1536} (( segid " " and resid 112 and name HN )) ( segid " " and resid 139 and name HD2%) OR { 1536} (( segid " " and resid 112 and name HN )) ( segid " " and resid 115 and name HD2%) ASSI { 1538} (( segid " " and resid 112 and name HN )) ( segid " " and resid 84 and name HB% ) 3.600 1.700 1.700 peak 1538 spectrum 1 weight 0.10000E+01 volume 0.16821E-02 ppm1 7.196 ppm2 1.354 CV 1 OR { 1538} (( segid " " and resid 112 and name HN )) (( segid " " and resid 115 and name HG )) ASSI { 1542} (( segid " " and resid 76 and name HN )) (( segid " " and resid 99 and name HB2 )) 3.600 1.600 1.600 peak 1542 spectrum 1 weight 0.10000E+01 volume 0.96350E-03 ppm1 8.883 ppm2 1.984 CV 1 OR { 1542} (( segid " " and resid 91 and name HN )) (( segid " " and resid 67 and name HB3 )) OR { 1542} (( segid " " and resid 91 and name HN )) (( segid " " and resid 69 and name HB2 )) OR { 1542} (( segid " " and resid 91 and name HN )) (( segid " " and resid 93 and name HB2 )) OR { 1542} (( segid " " and resid 91 and name HN )) (( segid " " and resid 116 and name HB2 )) OR { 1542} (( segid " " and resid 91 and name HN )) (( segid " " and resid 115 and name HB2 )) ASSI { 1544} (( segid " " and resid 91 and name HN )) (( segid " " and resid 90 and name HG )) 3.400 1.400 1.400 peak 1544 spectrum 1 weight 0.10000E+01 volume 0.14992E-02 ppm1 8.883 ppm2 1.685 CV 1 OR { 1544} (( segid " " and resid 76 and name HN )) (( segid " " and resid 71 and name HB3 )) ASSI { 1545} (( segid " " and resid 91 and name HN )) (( segid " " and resid 90 and name HB3 )) 4.300 2.400 1.700 peak 1545 spectrum 1 weight 0.10000E+01 volume 0.57658E-03 ppm1 8.883 ppm2 1.543 CV 1 OR { 1545} (( segid " " and resid 76 and name HN )) (( segid " " and resid 75 and name HB3 )) OR { 1545} (( segid " " and resid 76 and name HN )) (( segid " " and resid 75 and name HG2 )) ASSI { 1550} (( segid " " and resid 92 and name HN )) (( segid " " and resid 93 and name HB2 )) 3.700 1.700 1.700 peak 1550 spectrum 1 weight 0.10000E+01 volume 0.80326E-03 ppm1 8.199 ppm2 1.989 CV 1 OR { 1550} (( segid " " and resid 92 and name HN )) (( segid " " and resid 69 and name HB2 )) OR { 1550} (( segid " " and resid 92 and name HN )) (( segid " " and resid 116 and name HB3 )) OR { 1550} (( segid " " and resid 92 and name HN )) (( segid " " and resid 116 and name HB2 )) ASSI { 1555} (( segid " " and resid 92 and name HN )) ( segid " " and resid 115 and name HD2%) 3.600 1.600 1.600 peak 1555 spectrum 1 weight 0.10000E+01 volume 0.10533E-02 ppm1 8.199 ppm2 0.775 CV 1 OR { 1555} (( segid " " and resid 92 and name HN )) ( segid " " and resid 93 and name HD1%) ASSI { 1556} (( segid " " and resid 93 and name HN )) (( segid " " and resid 117 and name HN )) 3.800 1.800 1.800 peak 1556 spectrum 1 weight 0.10000E+01 volume 0.10242E-02 ppm1 8.179 ppm2 8.291 CV 1 OR { 1556} (( segid " " and resid 93 and name HN )) (( segid " " and resid 69 and name HN )) ASSI { 1561} (( segid " " and resid 93 and name HN )) (( segid " " and resid 93 and name HG )) 3.700 1.700 1.700 peak 1561 spectrum 1 weight 0.10000E+01 volume 0.12013E-02 ppm1 8.178 ppm2 1.361 CV 1 OR { 1561} (( segid " " and resid 93 and name HN )) (( segid " " and resid 115 and name HB3 )) ASSI { 1564} (( segid " " and resid 93 and name HN )) ( segid " " and resid 118 and name HD2%) 3.500 1.600 1.600 peak 1564 spectrum 1 weight 0.10000E+01 volume 0.15873E-02 ppm1 8.178 ppm2 0.892 CV 1 OR { 1564} (( segid " " and resid 93 and name HN )) ( segid " " and resid 90 and name HD1%) OR { 1564} (( segid " " and resid 93 and name HN )) ( segid " " and resid 115 and name HD1%) OR { 1564} (( segid " " and resid 93 and name HN )) ( segid " " and resid 90 and name HD2%) ASSI { 1565} (( segid " " and resid 93 and name HN )) ( segid " " and resid 115 and name HD2%) 3.200 1.300 1.300 peak 1565 spectrum 1 weight 0.10000E+01 volume 0.29451E-02 ppm1 8.178 ppm2 0.787 CV 1 OR { 1565} (( segid " " and resid 93 and name HN )) ( segid " " and resid 93 and name HD1%) ASSI { 1567} (( segid " " and resid 94 and name HN )) (( segid " " and resid 71 and name HN )) 3.600 1.600 1.600 peak 1567 spectrum 1 weight 0.10000E+01 volume 0.10424E-02 ppm1 8.467 ppm2 8.342 CV 1 OR { 1567} (( segid " " and resid 118 and name HN )) (( segid " " and resid 117 and name HN )) ASSI { 1568} (( segid " " and resid 118 and name HN )) (( segid " " and resid 119 and name HN )) 4.500 2.500 1.500 peak 1568 spectrum 1 weight 0.10000E+01 volume 0.47447E-03 ppm1 8.467 ppm2 8.179 CV 1 OR { 1568} (( segid " " and resid 94 and name HN )) (( segid " " and resid 93 and name HN )) OR { 1568} (( segid " " and resid 118 and name HN )) (( segid " " and resid 144 and name HN )) ASSI { 1574} (( segid " " and resid 94 and name HN )) (( segid " " and resid 93 and name HB3 )) 4.200 2.200 1.800 peak 1574 spectrum 1 weight 0.10000E+01 volume 0.72760E-03 ppm1 8.467 ppm2 1.279 CV 1 OR { 1574} (( segid " " and resid 118 and name HN )) (( segid " " and resid 118 and name HG )) ASSI { 1576} (( segid " " and resid 94 and name HN )) ( segid " " and resid 93 and name HD1%) 3.400 1.500 1.500 peak 1576 spectrum 1 weight 0.10000E+01 volume 0.13197E-02 ppm1 8.467 ppm2 0.768 CV 1 OR { 1576} (( segid " " and resid 118 and name HN )) ( segid " " and resid 142 and name HG1%) ASSI { 1581} (( segid " " and resid 95 and name HN )) (( segid " " and resid 94 and name HB3 )) 3.800 1.800 1.800 peak 1581 spectrum 1 weight 0.10000E+01 volume 0.13537E-02 ppm1 8.939 ppm2 2.814 CV 1 OR { 1581} (( segid " " and resid 95 and name HN )) (( segid " " and resid 119 and name HB2 )) ASSI { 1583} (( segid " " and resid 95 and name HN )) (( segid " " and resid 120 and name HB3 )) 4.000 2.000 2.000 peak 1583 spectrum 1 weight 0.10000E+01 volume 0.11910E-02 ppm1 8.939 ppm2 1.406 CV 1 OR { 1583} (( segid " " and resid 95 and name HN )) (( segid " " and resid 100 and name HG12)) ASSI { 1593} (( segid " " and resid 96 and name HN )) (( segid " " and resid 94 and name HB3 )) 4.100 2.100 1.900 peak 1593 spectrum 1 weight 0.10000E+01 volume 0.65895E-03 ppm1 8.502 ppm2 2.798 CV 1 OR { 1593} (( segid " " and resid 96 and name HN )) (( segid " " and resid 119 and name HB2 )) OR { 1593} (( segid " " and resid 96 and name HN )) (( segid " " and resid 98 and name HB3 )) ASSI { 1596} (( segid " " and resid 96 and name HN )) (( segid " " and resid 95 and name HB3 )) 4.200 2.200 1.800 peak 1596 spectrum 1 weight 0.10000E+01 volume 0.71733E-03 ppm1 8.502 ppm2 1.579 CV 1 OR { 1596} (( segid " " and resid 29 and name HN )) (( segid " " and resid 28 and name HB3 )) ASSI { 1598} (( segid " " and resid 96 and name HN )) ( segid " " and resid 95 and name HD2%) 4.100 2.100 1.900 peak 1598 spectrum 1 weight 0.10000E+01 volume 0.12082E-02 ppm1 8.502 ppm2 0.755 CV 1 OR { 1598} (( segid " " and resid 96 and name HN )) ( segid " " and resid 95 and name HD1%) OR { 1598} (( segid " " and resid 29 and name HN )) ( segid " " and resid 52 and name HG1%) ASSI { 1602} (( segid " " and resid 97 and name HN )) (( segid " " and resid 122 and name HB3 )) 3.200 1.300 1.300 peak 1602 spectrum 1 weight 0.10000E+01 volume 0.20653E-02 ppm1 8.882 ppm2 3.070 CV 1 OR { 1602} (( segid " " and resid 97 and name HN )) (( segid " " and resid 122 and name HB2 )) OR { 1602} (( segid " " and resid 97 and name HN )) (( segid " " and resid 123 and name HB3 )) ASSI { 1613} (( segid " " and resid 98 and name HN )) (( segid " " and resid 95 and name HA )) 4.200 2.200 1.800 peak 1613 spectrum 1 weight 0.10000E+01 volume 0.69248E-03 ppm1 7.424 ppm2 4.231 CV 1 OR { 1613} (( segid " " and resid 98 and name HN )) (( segid " " and resid 120 and name HA )) OR { 1613} (( segid " " and resid 98 and name HN )) (( segid " " and resid 124 and name HA )) OR { 1613} (( segid " " and resid 98 and name HN )) (( segid " " and resid 100 and name HA )) OR { 1613} (( segid " " and resid 98 and name HN )) (( segid " " and resid 122 and name HA )) ASSI { 1618} (( segid " " and resid 98 and name HN )) (( segid " " and resid 76 and name HB )) 5.200 3.400 0.800 peak 1618 spectrum 1 weight 0.10000E+01 volume 0.48715E-03 ppm1 7.424 ppm2 1.653 CV 1 OR { 1618} (( segid " " and resid 98 and name HN )) (( segid " " and resid 99 and name HD2 )) ASSI { 1619} (( segid " " and resid 98 and name HN )) (( segid " " and resid 100 and name HG12)) 4.200 2.200 1.800 peak 1619 spectrum 1 weight 0.10000E+01 volume 0.63320E-03 ppm1 7.424 ppm2 1.403 CV 1 OR { 1619} (( segid " " and resid 98 and name HN )) (( segid " " and resid 99 and name HB3 )) OR { 1619} (( segid " " and resid 98 and name HN )) (( segid " " and resid 76 and name HG12)) ASSI { 1621} (( segid " " and resid 98 and name HN )) ( segid " " and resid 95 and name HD2%) 4.400 2.400 1.600 peak 1621 spectrum 1 weight 0.10000E+01 volume 0.96591E-03 ppm1 7.424 ppm2 0.752 CV 1 OR { 1621} (( segid " " and resid 98 and name HN )) ( segid " " and resid 95 and name HD1%) OR { 1621} (( segid " " and resid 98 and name HN )) ( segid " " and resid 125 and name HG2%) OR { 1621} (( segid " " and resid 98 and name HN )) ( segid " " and resid 100 and name HG2%) OR { 1621} (( segid " " and resid 98 and name HN )) ( segid " " and resid 76 and name HD1%) ASSI { 1628} (( segid " " and resid 99 and name HN )) (( segid " " and resid 100 and name HA )) 4.500 2.600 1.500 peak 1628 spectrum 1 weight 0.10000E+01 volume 0.38408E-03 ppm1 7.913 ppm2 4.202 CV 1 OR { 1628} (( segid " " and resid 99 and name HN )) (( segid " " and resid 77 and name HB2 )) OR { 1628} (( segid " " and resid 99 and name HN )) (( segid " " and resid 124 and name HA )) ASSI { 1632} (( segid " " and resid 99 and name HN )) (( segid " " and resid 76 and name HB )) 3.400 1.400 1.400 peak 1632 spectrum 1 weight 0.10000E+01 volume 0.13444E-02 ppm1 7.912 ppm2 1.642 CV 1 OR { 1632} (( segid " " and resid 99 and name HN )) (( segid " " and resid 99 and name HD3 )) OR { 1632} (( segid " " and resid 99 and name HN )) (( segid " " and resid 99 and name HD2 )) ASSI { 1634} (( segid " " and resid 99 and name HN )) ( segid " " and resid 95 and name HD2%) 4.300 2.300 1.700 peak 1634 spectrum 1 weight 0.10000E+01 volume 0.85788E-03 ppm1 7.912 ppm2 0.758 CV 1 OR { 1634} (( segid " " and resid 99 and name HN )) ( segid " " and resid 100 and name HG2%) OR { 1634} (( segid " " and resid 99 and name HN )) ( segid " " and resid 95 and name HD1%) OR { 1634} (( segid " " and resid 99 and name HN )) ( segid " " and resid 106 and name HG2%) ASSI { 1641} (( segid " " and resid 100 and name HN )) (( segid " " and resid 98 and name HB2 )) 3.700 1.800 1.800 peak 1641 spectrum 1 weight 0.10000E+01 volume 0.96230E-03 ppm1 6.619 ppm2 3.051 CV 1 OR { 1641} (( segid " " and resid 100 and name HN )) (( segid " " and resid 123 and name HB3 )) ASSI { 1645} (( segid " " and resid 100 and name HN )) (( segid " " and resid 99 and name HD3 )) 4.100 2.100 1.900 peak 1645 spectrum 1 weight 0.10000E+01 volume 0.81784E-03 ppm1 6.619 ppm2 1.639 CV 1 OR { 1645} (( segid " " and resid 100 and name HN )) (( segid " " and resid 99 and name HD2 )) OR { 1645} (( segid " " and resid 100 and name HN )) (( segid " " and resid 125 and name HB )) ASSI { 1646} (( segid " " and resid 100 and name HN )) (( segid " " and resid 100 and name HG12)) 2.600 0.800 0.800 peak 1646 spectrum 1 weight 0.10000E+01 volume 0.28009E-02 ppm1 6.619 ppm2 1.396 CV 1 OR { 1646} (( segid " " and resid 100 and name HN )) ( segid " " and resid 105 and name HG2%) ASSI { 1653} (( segid " " and resid 101 and name HN )) (( segid " " and resid 100 and name HB )) 3.800 1.800 1.800 peak 1653 spectrum 1 weight 0.10000E+01 volume 0.86645E-03 ppm1 8.946 ppm2 2.043 CV 1 OR { 1653} (( segid " " and resid 101 and name HN )) (( segid " " and resid 124 and name HB3 )) OR { 1653} (( segid " " and resid 101 and name HN )) (( segid " " and resid 124 and name HB2 )) ASSI { 1654} (( segid " " and resid 101 and name HN )) ( segid " " and resid 100 and name HG2%) 3.400 1.500 1.500 peak 1654 spectrum 1 weight 0.10000E+01 volume 0.25633E-02 ppm1 8.946 ppm2 0.778 CV 1 OR { 1654} (( segid " " and resid 101 and name HN )) ( segid " " and resid 106 and name HG2%) ASSI { 1660} (( segid " " and resid 102 and name HN )) (( segid " " and resid 105 and name HB )) 2.900 1.000 1.000 peak 1660 spectrum 1 weight 0.10000E+01 volume 0.34216E-02 ppm1 7.361 ppm2 4.223 CV 1 OR { 1660} (( segid " " and resid 102 and name HN )) (( segid " " and resid 101 and name HA )) OR { 1660} (( segid " " and resid 102 and name HN )) (( segid " " and resid 100 and name HA )) ASSI { 1664} (( segid " " and resid 102 and name HN )) (( segid " " and resid 101 and name HG3 )) 3.600 1.700 1.700 peak 1664 spectrum 1 weight 0.10000E+01 volume 0.16995E-02 ppm1 7.361 ppm2 1.360 CV 1 OR { 1664} (( segid " " and resid 102 and name HN )) (( segid " " and resid 101 and name HG2 )) OR { 1664} (( segid " " and resid 102 and name HN )) ( segid " " and resid 105 and name HG2%) ASSI { 1665} (( segid " " and resid 102 and name HN )) ( segid " " and resid 100 and name HG2%) 3.000 1.100 1.100 peak 1665 spectrum 1 weight 0.10000E+01 volume 0.31747E-02 ppm1 7.361 ppm2 0.785 CV 1 OR { 1665} (( segid " " and resid 102 and name HN )) ( segid " " and resid 125 and name HG1%) OR { 1665} (( segid " " and resid 102 and name HN )) ( segid " " and resid 106 and name HG2%) ASSI { 1676} (( segid " " and resid 103 and name HN )) ( segid " " and resid 125 and name HG1%) 3.400 1.500 1.500 peak 1676 spectrum 1 weight 0.10000E+01 volume 0.19532E-02 ppm1 8.451 ppm2 0.811 CV 1 OR { 1676} (( segid " " and resid 103 and name HN )) ( segid " " and resid 100 and name HG2%) OR { 1676} (( segid " " and resid 103 and name HN )) ( segid " " and resid 106 and name HG2%) ASSI { 1687} (( segid " " and resid 104 and name HN )) (( segid " " and resid 103 and name HB3 )) 3.600 1.600 1.600 peak 1687 spectrum 1 weight 0.10000E+01 volume 0.17569E-02 ppm1 8.332 ppm2 1.489 CV 1 OR { 1687} (( segid " " and resid 104 and name HN )) (( segid " " and resid 106 and name HG12)) ASSI { 1690} (( segid " " and resid 104 and name HN )) ( segid " " and resid 100 and name HG2%) 4.500 2.500 1.500 peak 1690 spectrum 1 weight 0.10000E+01 volume 0.80086E-03 ppm1 8.332 ppm2 0.797 CV 1 OR { 1690} (( segid " " and resid 104 and name HN )) ( segid " " and resid 106 and name HD1%) OR { 1690} (( segid " " and resid 104 and name HN )) ( segid " " and resid 125 and name HG1%) OR { 1690} (( segid " " and resid 104 and name HN )) ( segid " " and resid 106 and name HG2%) ASSI { 1702} (( segid " " and resid 105 and name HN )) (( segid " " and resid 103 and name HB2 )) 4.400 2.400 1.600 peak 1702 spectrum 1 weight 0.10000E+01 volume 0.69503E-03 ppm1 7.816 ppm2 1.715 CV 1 OR { 1702} (( segid " " and resid 105 and name HN )) (( segid " " and resid 101 and name HB3 )) OR { 1702} (( segid " " and resid 105 and name HN )) (( segid " " and resid 103 and name HG )) ASSI { 1703} (( segid " " and resid 105 and name HN )) (( segid " " and resid 106 and name HG12)) 4.200 2.200 1.800 peak 1703 spectrum 1 weight 0.10000E+01 volume 0.71222E-03 ppm1 7.816 ppm2 1.498 CV 1 OR { 1703} (( segid " " and resid 105 and name HN )) (( segid " " and resid 103 and name HB3 )) ASSI { 1705} (( segid " " and resid 105 and name HN )) ( segid " " and resid 100 and name HG2%) 3.900 1.900 1.900 peak 1705 spectrum 1 weight 0.10000E+01 volume 0.19265E-02 ppm1 7.816 ppm2 0.776 CV 1 OR { 1705} (( segid " " and resid 105 and name HN )) ( segid " " and resid 106 and name HG2%) OR { 1705} (( segid " " and resid 105 and name HN )) ( segid " " and resid 106 and name HD1%) ASSI { 1713} (( segid " " and resid 106 and name HN )) (( segid " " and resid 103 and name HB2 )) 4.900 3.000 1.100 peak 1713 spectrum 1 weight 0.10000E+01 volume 0.48969E-03 ppm1 7.131 ppm2 1.733 CV 1 OR { 1713} (( segid " " and resid 106 and name HN )) (( segid " " and resid 109 and name HG )) OR { 1713} (( segid " " and resid 106 and name HN )) (( segid " " and resid 103 and name HG )) ASSI { 1716} (( segid " " and resid 106 and name HN )) ( segid " " and resid 138 and name HD2%) 4.400 2.400 1.600 peak 1716 spectrum 1 weight 0.10000E+01 volume 0.54231E-03 ppm1 7.131 ppm2 0.906 CV 1 OR { 1716} (( segid " " and resid 106 and name HN )) ( segid " " and resid 120 and name HD1%) OR { 1716} (( segid " " and resid 106 and name HN )) ( segid " " and resid 118 and name HD2%) ASSI { 1723} (( segid " " and resid 164 and name HN )) (( segid " " and resid 164 and name HB )) 3.900 1.900 1.900 peak 1723 spectrum 1 weight 0.10000E+01 volume 0.11875E-02 ppm1 7.480 ppm2 2.061 CV 1 OR { 1723} (( segid " " and resid 107 and name HN )) (( segid " " and resid 108 and name HG2 )) OR { 1723} (( segid " " and resid 107 and name HN )) (( segid " " and resid 108 and name HG3 )) ASSI { 1724} (( segid " " and resid 107 and name HN )) (( segid " " and resid 109 and name HG )) 4.400 2.400 1.600 peak 1724 spectrum 1 weight 0.10000E+01 volume 0.71823E-03 ppm1 7.480 ppm2 1.746 CV 1 OR { 1724} (( segid " " and resid 107 and name HN )) (( segid " " and resid 80 and name HB2 )) OR { 1724} (( segid " " and resid 107 and name HN )) (( segid " " and resid 110 and name HD3 )) ASSI { 1726} (( segid " " and resid 107 and name HN )) ( segid " " and resid 105 and name HG2%) 4.000 2.000 2.000 peak 1726 spectrum 1 weight 0.10000E+01 volume 0.44296E-03 ppm1 7.480 ppm2 1.366 CV 1 OR { 1726} (( segid " " and resid 107 and name HN )) (( segid " " and resid 109 and name HB3 )) ASSI { 1729} (( segid " " and resid 107 and name HN )) ( segid " " and resid 80 and name HD1%) 3.500 1.600 1.600 peak 1729 spectrum 1 weight 0.10000E+01 volume 0.28836E-02 ppm1 7.480 ppm2 0.800 CV 1 OR { 1729} (( segid " " and resid 107 and name HN )) ( segid " " and resid 106 and name HG2%) OR { 1729} (( segid " " and resid 107 and name HN )) ( segid " " and resid 106 and name HD1%) OR { 1729} (( segid " " and resid 107 and name HN )) ( segid " " and resid 109 and name HD1%) ASSI { 1735} (( segid " " and resid 109 and name HN )) (( segid " " and resid 110 and name HB3 )) 4.500 2.500 1.500 peak 1735 spectrum 1 weight 0.10000E+01 volume 0.64347E-03 ppm1 8.102 ppm2 1.926 CV 1 OR { 1735} (( segid " " and resid 109 and name HN )) (( segid " " and resid 139 and name HB2 )) ASSI { 1737} (( segid " " and resid 109 and name HN )) (( segid " " and resid 110 and name HG3 )) 4.700 2.700 1.300 peak 1737 spectrum 1 weight 0.10000E+01 volume 0.63495E-03 ppm1 8.102 ppm2 1.513 CV 1 OR { 1737} (( segid " " and resid 109 and name HN )) (( segid " " and resid 111 and name HG2 )) ASSI { 1738} (( segid " " and resid 109 and name HN )) ( segid " " and resid 138 and name HD2%) 4.600 2.600 1.400 peak 1738 spectrum 1 weight 0.10000E+01 volume 0.64613E-03 ppm1 8.102 ppm2 0.947 CV 1 OR { 1738} (( segid " " and resid 109 and name HN )) ( segid " " and resid 112 and name HD1%) OR { 1738} (( segid " " and resid 109 and name HN )) ( segid " " and resid 93 and name HD2%) ASSI { 1739} (( segid " " and resid 109 and name HN )) ( segid " " and resid 109 and name HD2%) 3.100 1.200 1.200 peak 1739 spectrum 1 weight 0.10000E+01 volume 0.44349E-02 ppm1 8.102 ppm2 0.753 CV 1 OR { 1739} (( segid " " and resid 109 and name HN )) ( segid " " and resid 139 and name HD2%) ASSI { 1740} (( segid " " and resid 109 and name HN )) ( segid " " and resid 109 and name HD1%) 3.700 1.700 1.700 peak 1740 spectrum 1 weight 0.10000E+01 volume 0.26193E-02 ppm1 8.102 ppm2 0.826 CV 1 OR { 1740} (( segid " " and resid 109 and name HN )) ( segid " " and resid 80 and name HD1%) OR { 1740} (( segid " " and resid 109 and name HN )) ( segid " " and resid 115 and name HD1%) ASSI { 1748} (( segid " " and resid 110 and name HN )) (( segid " " and resid 110 and name HG2 )) 2.400 0.700 0.700 peak 1748 spectrum 1 weight 0.10000E+01 volume 0.39169E-02 ppm1 8.327 ppm2 1.737 CV 1 OR { 1748} (( segid " " and resid 110 and name HN )) (( segid " " and resid 109 and name HG )) OR { 1748} (( segid " " and resid 110 and name HN )) (( segid " " and resid 110 and name HD3 )) ASSI { 1750} (( segid " " and resid 110 and name HN )) (( segid " " and resid 109 and name HB3 )) 3.800 1.800 1.800 peak 1750 spectrum 1 weight 0.10000E+01 volume 0.11567E-02 ppm1 8.327 ppm2 1.358 CV 1 OR { 1750} (( segid " " and resid 110 and name HN )) ( segid " " and resid 84 and name HB% ) ASSI { 1753} (( segid " " and resid 110 and name HN )) ( segid " " and resid 139 and name HD2%) 2.600 0.900 0.900 peak 1753 spectrum 1 weight 0.10000E+01 volume 0.45711E-02 ppm1 8.327 ppm2 0.748 CV 1 OR { 1753} (( segid " " and resid 110 and name HN )) ( segid " " and resid 109 and name HD2%) ASSI { 1758} (( segid " " and resid 111 and name HN )) (( segid " " and resid 110 and name HA )) 3.000 1.100 1.100 peak 1758 spectrum 1 weight 0.10000E+01 volume 0.18811E-02 ppm1 6.979 ppm2 3.943 CV 1 OR { 1758} (( segid " " and resid 111 and name HN )) (( segid " " and resid 109 and name HA )) ASSI { 1761} (( segid " " and resid 111 and name HN )) ( segid " " and resid 112 and name HD1%) 5.100 3.200 0.900 peak 1761 spectrum 1 weight 0.10000E+01 volume 0.42774E-03 ppm1 6.980 ppm2 0.947 CV 1 OR { 1761} (( segid " " and resid 111 and name HN )) ( segid " " and resid 138 and name HD2%) ASSI { 1762} (( segid " " and resid 111 and name HN )) ( segid " " and resid 112 and name HD2%) 4.700 2.700 1.300 peak 1762 spectrum 1 weight 0.10000E+01 volume 0.59983E-03 ppm1 6.980 ppm2 0.840 CV 1 OR { 1762} (( segid " " and resid 111 and name HN )) ( segid " " and resid 115 and name HD1%) OR { 1762} (( segid " " and resid 111 and name HN )) ( segid " " and resid 109 and name HD1%) ASSI { 1763} (( segid " " and resid 111 and name HN )) ( segid " " and resid 139 and name HD2%) 4.100 2.100 1.900 peak 1763 spectrum 1 weight 0.10000E+01 volume 0.10623E-02 ppm1 6.980 ppm2 0.748 CV 1 OR { 1763} (( segid " " and resid 111 and name HN )) ( segid " " and resid 109 and name HD2%) ASSI { 1773} (( segid " " and resid 112 and name HN )) (( segid " " and resid 110 and name HA )) 3.600 1.600 1.600 peak 1773 spectrum 1 weight 0.10000E+01 volume 0.12734E-02 ppm1 7.197 ppm2 3.908 CV 1 OR { 1773} (( segid " " and resid 112 and name HN )) (( segid " " and resid 84 and name HA )) ASSI { 1775} (( segid " " and resid 113 and name HN )) (( segid " " and resid 112 and name HN )) 3.900 1.900 1.900 peak 1775 spectrum 1 weight 0.10000E+01 volume 0.10472E-02 ppm1 8.556 ppm2 7.196 CV 1 OR { 1775} (( segid " " and resid 113 and name HN )) (( segid " " and resid 114 and name HD21)) ASSI { 1782} (( segid " " and resid 113 and name HN )) (( segid " " and resid 112 and name HG )) 3.100 3.100 2.900 peak 1782 spectrum 1 weight 0.10000E+01 volume 0.86028E-03 ppm1 8.556 ppm2 1.518 CV 1 OR { 1782} (( segid " " and resid 113 and name HN )) (( segid " " and resid 90 and name HB3 )) ASSI { 1788} (( segid " " and resid 114 and name HN )) (( segid " " and resid 114 and name HD21)) 4.000 2.000 2.000 peak 1788 spectrum 1 weight 0.10000E+01 volume 0.92582E-03 ppm1 9.018 ppm2 7.219 CV 1 OR { 1788} (( segid " " and resid 114 and name HN )) (( segid " " and resid 112 and name HN )) ASSI { 1789} (( segid " " and resid 114 and name HN )) (( segid " " and resid 114 and name HD22)) 4.500 2.500 1.500 peak 1789 spectrum 1 weight 0.10000E+01 volume 0.55508E-03 ppm1 9.018 ppm2 7.162 CV 1 OR { 1789} (( segid " " and resid 114 and name HN )) (( segid " " and resid 112 and name HN )) ASSI { 1798} (( segid " " and resid 114 and name HN )) (( segid " " and resid 112 and name HB2 )) 3.900 1.900 1.900 peak 1798 spectrum 1 weight 0.10000E+01 volume 0.11962E-02 ppm1 9.018 ppm2 2.044 CV 1 OR { 1798} (( segid " " and resid 114 and name HN )) (( segid " " and resid 113 and name HB2 )) ASSI { 1799} (( segid " " and resid 114 and name HN )) (( segid " " and resid 113 and name HB3 )) 3.700 1.800 1.800 peak 1799 spectrum 1 weight 0.10000E+01 volume 0.18784E-02 ppm1 9.018 ppm2 1.947 CV 1 OR { 1799} (( segid " " and resid 114 and name HN )) (( segid " " and resid 115 and name HB2 )) OR { 1799} (( segid " " and resid 114 and name HN )) (( segid " " and resid 141 and name HB3 )) ASSI { 1800} (( segid " " and resid 114 and name HN )) (( segid " " and resid 112 and name HB3 )) 3.400 1.400 1.400 peak 1800 spectrum 1 weight 0.10000E+01 volume 0.64693E-03 ppm1 9.018 ppm2 1.766 CV 1 OR { 1800} (( segid " " and resid 114 and name HN )) (( segid " " and resid 91 and name HB3 )) ASSI { 1802} (( segid " " and resid 114 and name HN )) ( segid " " and resid 112 and name HD2%) 4.300 2.300 1.700 peak 1802 spectrum 1 weight 0.10000E+01 volume 0.81063E-03 ppm1 9.018 ppm2 0.846 CV 1 OR { 1802} (( segid " " and resid 114 and name HN )) ( segid " " and resid 115 and name HD1%) ASSI { 1807} (( segid " " and resid 115 and name HN )) (( segid " " and resid 114 and name HD22)) 3.300 3.300 2.700 peak 1807 spectrum 1 weight 0.10000E+01 volume 0.67098E-03 ppm1 7.018 ppm2 7.120 CV 1 OR { 1807} (( segid " " and resid 115 and name HN )) ( segid " " and resid 136 and name HD% ) OR { 1807} (( segid " " and resid 115 and name HN )) ( segid " " and resid 136 and name HE% ) ASSI { 1814} (( segid " " and resid 115 and name HN )) (( segid " " and resid 112 and name HB3 )) 3.300 1.300 1.300 peak 1814 spectrum 1 weight 0.10000E+01 volume 0.12786E-02 ppm1 7.018 ppm2 1.773 CV 1 OR { 1814} (( segid " " and resid 115 and name HN )) (( segid " " and resid 91 and name HB3 )) ASSI { 1831} (( segid " " and resid 117 and name HN )) (( segid " " and resid 93 and name HN )) 3.700 1.700 1.700 peak 1831 spectrum 1 weight 0.10000E+01 volume 0.10948E-02 ppm1 8.307 ppm2 8.198 CV 1 OR { 1831} (( segid " " and resid 117 and name HN )) (( segid " " and resid 119 and name HN )) ASSI { 1841} (( segid " " and resid 117 and name HN )) (( segid " " and resid 116 and name HG2 )) 3.800 1.800 1.800 peak 1841 spectrum 1 weight 0.10000E+01 volume 0.87737E-03 ppm1 8.307 ppm2 1.695 CV 1 OR { 1841} (( segid " " and resid 117 and name HN )) (( segid " " and resid 118 and name HB2 )) ASSI { 1847} (( segid " " and resid 118 and name HN )) (( segid " " and resid 119 and name HA )) 4.400 2.400 1.600 peak 1847 spectrum 1 weight 0.10000E+01 volume 0.52787E-03 ppm1 8.443 ppm2 5.674 CV 1 OR { 1847} (( segid " " and resid 118 and name HN )) (( segid " " and resid 92 and name HA )) OR { 1847} (( segid " " and resid 94 and name HN )) (( segid " " and resid 92 and name HA )) ASSI { 1850} (( segid " " and resid 118 and name HN )) (( segid " " and resid 144 and name HA )) 4.700 2.700 1.300 peak 1850 spectrum 1 weight 0.10000E+01 volume 0.55684E-03 ppm1 8.443 ppm2 4.813 CV 1 OR { 1850} (( segid " " and resid 118 and name HN )) (( segid " " and resid 116 and name HA )) ASSI { 1855} (( segid " " and resid 118 and name HN )) ( segid " " and resid 118 and name HD2%) 4.000 2.000 2.000 peak 1855 spectrum 1 weight 0.10000E+01 volume 0.96471E-03 ppm1 8.442 ppm2 0.880 CV 1 OR { 1855} (( segid " " and resid 94 and name HN )) ( segid " " and resid 118 and name HD2%) ASSI { 1856} (( segid " " and resid 94 and name HN )) ( segid " " and resid 93 and name HD1%) 2.900 1.100 1.100 peak 1856 spectrum 1 weight 0.10000E+01 volume 0.32761E-02 ppm1 8.442 ppm2 0.727 CV 1 OR { 1856} (( segid " " and resid 118 and name HN )) ( segid " " and resid 145 and name HD2%) OR { 1856} (( segid " " and resid 118 and name HN )) ( segid " " and resid 142 and name HG1%) OR { 1856} (( segid " " and resid 118 and name HN )) ( segid " " and resid 142 and name HG2%) ASSI { 1860} (( segid " " and resid 119 and name HN )) (( segid " " and resid 118 and name HN )) 4.400 2.400 1.600 peak 1860 spectrum 1 weight 0.10000E+01 volume 0.50718E-03 ppm1 8.199 ppm2 8.453 CV 1 OR { 1860} (( segid " " and resid 119 and name HN )) (( segid " " and resid 94 and name HN )) ASSI { 1862} (( segid " " and resid 119 and name HN )) (( segid " " and resid 118 and name HA )) 2.400 0.700 0.700 peak 1862 spectrum 1 weight 0.10000E+01 volume 0.44963E-02 ppm1 8.199 ppm2 5.404 CV 1 OR { 1862} (( segid " " and resid 119 and name HN )) (( segid " " and resid 94 and name HA )) ASSI { 1867} (( segid " " and resid 119 and name HN )) ( segid " " and resid 95 and name HD1%) 3.100 1.200 1.200 peak 1867 spectrum 1 weight 0.10000E+01 volume 0.70956E-03 ppm1 8.199 ppm2 0.767 CV 1 OR { 1867} (( segid " " and resid 119 and name HN )) ( segid " " and resid 95 and name HD2%) OR { 1867} (( segid " " and resid 119 and name HN )) ( segid " " and resid 93 and name HD1%) OR { 1867} (( segid " " and resid 119 and name HN )) ( segid " " and resid 142 and name HG1%) OR { 1867} (( segid " " and resid 119 and name HN )) ( segid " " and resid 109 and name HD1%) OR { 1867} (( segid " " and resid 119 and name HN )) ( segid " " and resid 106 and name HD1%) ASSI { 1875} (( segid " " and resid 120 and name HN )) (( segid " " and resid 146 and name HB3 )) 4.600 2.600 1.400 peak 1875 spectrum 1 weight 0.10000E+01 volume 0.63145E-03 ppm1 10.171 ppm2 2.833 CV 1 OR { 1875} (( segid " " and resid 120 and name HN )) (( segid " " and resid 119 and name HB2 )) ASSI { 1879} (( segid " " and resid 120 and name HN )) ( segid " " and resid 145 and name HD2%) 3.900 1.900 1.900 peak 1879 spectrum 1 weight 0.10000E+01 volume 0.95253E-03 ppm1 10.171 ppm2 0.702 CV 1 OR { 1879} (( segid " " and resid 120 and name HN )) ( segid " " and resid 125 and name HG2%) ASSI { 1895} (( segid " " and resid 121 and name HN )) ( segid " " and resid 120 and name HD1%) 4.500 2.600 1.500 peak 1895 spectrum 1 weight 0.10000E+01 volume 0.66151E-03 ppm1 7.158 ppm2 0.962 CV 1 OR { 1895} (( segid " " and resid 121 and name HN )) ( segid " " and resid 126 and name HG2%) ASSI { 1906} (( segid " " and resid 11 and name HN )) (( segid " " and resid 8 and name HA )) 2.700 0.900 0.900 peak 1906 spectrum 1 weight 0.10000E+01 volume 0.39463E-02 ppm1 8.175 ppm2 4.220 CV 1 OR { 1906} (( segid " " and resid 125 and name HN )) (( segid " " and resid 124 and name HA )) ASSI { 1911} (( segid " " and resid 11 and name HN )) (( segid " " and resid 10 and name HB3 )) 2.800 1.000 1.000 peak 1911 spectrum 1 weight 0.10000E+01 volume 0.26941E-02 ppm1 8.175 ppm2 2.028 CV 1 OR { 1911} (( segid " " and resid 125 and name HN )) (( segid " " and resid 100 and name HB )) OR { 1911} (( segid " " and resid 125 and name HN )) (( segid " " and resid 124 and name HB2 )) ASSI { 1912} (( segid " " and resid 11 and name HN )) (( segid " " and resid 22 and name HB2 )) 4.100 2.100 1.900 peak 1912 spectrum 1 weight 0.10000E+01 volume 0.42467E-03 ppm1 8.175 ppm2 1.348 CV 1 OR { 1912} (( segid " " and resid 125 and name HN )) (( segid " " and resid 132 and name HG3 )) OR { 1912} (( segid " " and resid 125 and name HN )) ( segid " " and resid 130 and name HB% ) ASSI { 1914} (( segid " " and resid 11 and name HN )) ( segid " " and resid 11 and name HD1%) 4.500 2.500 1.500 peak 1914 spectrum 1 weight 0.10000E+01 volume 0.73532E-03 ppm1 8.175 ppm2 0.968 CV 1 OR { 1914} (( segid " " and resid 125 and name HN )) ( segid " " and resid 126 and name HG2%) OR { 1914} (( segid " " and resid 11 and name HN )) ( segid " " and resid 19 and name HG2%) ASSI { 1915} (( segid " " and resid 125 and name HN )) ( segid " " and resid 125 and name HG1%) 2.700 0.900 0.900 peak 1915 spectrum 1 weight 0.10000E+01 volume 0.33255E-02 ppm1 8.175 ppm2 0.813 CV 1 OR { 1915} (( segid " " and resid 11 and name HN )) ( segid " " and resid 11 and name HD2%) ASSI { 1917} (( segid " " and resid 126 and name HN )) (( segid " " and resid 127 and name HD21)) 4.000 2.000 2.000 peak 1917 spectrum 1 weight 0.10000E+01 volume 0.65124E-03 ppm1 7.198 ppm2 7.398 CV 1 OR { 1917} (( segid " " and resid 126 and name HN )) (( segid " " and resid 128 and name HN )) ASSI { 1919} (( segid " " and resid 126 and name HN )) (( segid " " and resid 125 and name HN )) 2.900 1.000 1.000 peak 1919 spectrum 1 weight 0.10000E+01 volume 0.17742E-02 ppm1 7.198 ppm2 8.169 CV 1 OR { 1919} (( segid " " and resid 126 and name HN )) (( segid " " and resid 123 and name HN )) ASSI { 1922} (( segid " " and resid 126 and name HN )) (( segid " " and resid 124 and name HA )) 3.800 1.800 1.800 peak 1922 spectrum 1 weight 0.10000E+01 volume 0.61947E-03 ppm1 7.198 ppm2 4.212 CV 1 OR { 1922} (( segid " " and resid 126 and name HN )) (( segid " " and resid 121 and name HA )) ASSI { 1931} (( segid " " and resid 124 and name HN )) (( segid " " and resid 125 and name HN )) 3.600 1.600 1.600 peak 1931 spectrum 1 weight 0.10000E+01 volume 0.35859E-03 ppm1 9.705 ppm2 8.165 CV 1 OR { 1931} (( segid " " and resid 124 and name HN )) (( segid " " and resid 123 and name HN )) ASSI { 1932} (( segid " " and resid 127 and name HN )) (( segid " " and resid 127 and name HD21)) 2.200 0.600 0.600 peak 1932 spectrum 1 weight 0.10000E+01 volume 0.53815E-02 ppm1 7.648 ppm2 7.403 CV 1 OR { 1932} (( segid " " and resid 127 and name HN )) (( segid " " and resid 128 and name HN )) ASSI { 1936} (( segid " " and resid 127 and name HN )) (( segid " " and resid 124 and name HA )) 4.500 2.500 1.500 peak 1936 spectrum 1 weight 0.10000E+01 volume 0.49382E-03 ppm1 7.649 ppm2 4.197 CV 1 OR { 1936} (( segid " " and resid 127 and name HN )) (( segid " " and resid 128 and name HA )) ASSI { 1944} (( segid " " and resid 127 and name HN )) (( segid " " and resid 125 and name HB )) 4.700 2.800 1.300 peak 1944 spectrum 1 weight 0.10000E+01 volume 0.57232E-03 ppm1 7.649 ppm2 1.600 CV 1 OR { 1944} (( segid " " and resid 127 and name HN )) (( segid " " and resid 128 and name HB3 )) ASSI { 1946} (( segid " " and resid 127 and name HN )) ( segid " " and resid 126 and name HG2%) 4.100 2.100 1.900 peak 1946 spectrum 1 weight 0.10000E+01 volume 0.11962E-02 ppm1 7.649 ppm2 0.978 CV 1 OR { 1946} (( segid " " and resid 127 and name HN )) ( segid " " and resid 128 and name HD2%) ASSI { 1949} (( segid " " and resid 128 and name HN )) (( segid " " and resid 126 and name HN )) 4.100 2.100 1.900 peak 1949 spectrum 1 weight 0.10000E+01 volume 0.74479E-03 ppm1 7.411 ppm2 7.233 CV 1 OR { 1949} (( segid " " and resid 128 and name HN )) (( segid " " and resid 131 and name HN )) ASSI { 1958} (( segid " " and resid 128 and name HN )) (( segid " " and resid 131 and name HB3 )) 3.900 1.900 1.900 peak 1958 spectrum 1 weight 0.10000E+01 volume 0.75361E-03 ppm1 7.411 ppm2 2.671 CV 1 OR { 1958} (( segid " " and resid 5 and name HN )) (( segid " " and resid 1 and name HG2 )) ASSI { 1961} (( segid " " and resid 128 and name HN )) ( segid " " and resid 125 and name HG2%) 4.700 2.700 1.300 peak 1961 spectrum 1 weight 0.10000E+01 volume 0.47326E-03 ppm1 7.411 ppm2 0.719 CV 1 OR { 1961} (( segid " " and resid 5 and name HN )) (( segid " " and resid 7 and name HG13)) OR { 1961} (( segid " " and resid 5 and name HN )) ( segid " " and resid 7 and name HD1%) OR { 1961} (( segid " " and resid 5 and name HN )) ( segid " " and resid 24 and name HD1%) OR { 1961} (( segid " " and resid 128 and name HN )) ( segid " " and resid 103 and name HD2%) ASSI { 1982} (( segid " " and resid 132 and name HN )) (( segid " " and resid 131 and name HB2 )) 3.600 1.600 1.600 peak 1982 spectrum 1 weight 0.10000E+01 volume 0.18997E-02 ppm1 8.217 ppm2 3.599 CV 1 OR { 1982} (( segid " " and resid 132 and name HN )) (( segid " " and resid 132 and name HD2 )) ASSI { 1992} (( segid " " and resid 132 and name HE )) (( segid " " and resid 148 and name HB2 )) 4.400 2.500 1.600 peak 1992 spectrum 1 weight 0.10000E+01 volume 0.45257E-03 ppm1 7.894 ppm2 2.917 CV 1 OR { 1992} (( segid " " and resid 132 and name HE )) (( segid " " and resid 146 and name HB2 )) OR { 1992} (( segid " " and resid 132 and name HE )) (( segid " " and resid 148 and name HB3 )) OR { 1992} (( segid " " and resid 132 and name HE )) (( segid " " and resid 152 and name HB3 )) ASSI { 2005} (( segid " " and resid 133 and name HN )) ( segid " " and resid 130 and name HB% ) 3.500 1.600 1.600 peak 2005 spectrum 1 weight 0.10000E+01 volume 0.16461E-02 ppm1 8.195 ppm2 1.344 CV 1 OR { 2005} (( segid " " and resid 133 and name HN )) (( segid " " and resid 132 and name HG3 )) ASSI { 2006} (( segid " " and resid 133 and name HN )) (( segid " " and resid 132 and name HD2 )) 5.200 3.400 0.800 peak 2006 spectrum 1 weight 0.10000E+01 volume 0.43682E-03 ppm1 8.195 ppm2 3.585 CV 1 OR { 2006} (( segid " " and resid 133 and name HN )) (( segid " " and resid 131 and name HB2 )) ASSI { 2018} (( segid " " and resid 134 and name HN )) ( segid " " and resid 130 and name HB% ) 3.700 1.700 1.700 peak 2018 spectrum 1 weight 0.10000E+01 volume 0.14872E-02 ppm1 8.610 ppm2 1.352 CV 1 OR { 2018} (( segid " " and resid 134 and name HN )) (( segid " " and resid 132 and name HG3 )) ASSI { 2019} (( segid " " and resid 134 and name HN )) (( segid " " and resid 132 and name HB2 )) 4.600 2.600 1.400 peak 2019 spectrum 1 weight 0.10000E+01 volume 0.56550E-03 ppm1 8.610 ppm2 1.690 CV 1 OR { 2019} (( segid " " and resid 134 and name HN )) (( segid " " and resid 137 and name HD3 )) OR { 2019} (( segid " " and resid 134 and name HN )) (( segid " " and resid 103 and name HG )) ASSI { 2022} (( segid " " and resid 134 and name HN )) ( segid " " and resid 103 and name HD2%) 4.300 2.300 1.700 peak 2022 spectrum 1 weight 0.10000E+01 volume 0.14925E-02 ppm1 8.610 ppm2 0.697 CV 1 OR { 2022} (( segid " " and resid 134 and name HN )) ( segid " " and resid 135 and name HG1%) ASSI { 2027} (( segid " " and resid 135 and name HN )) (( segid " " and resid 131 and name HA )) 4.300 2.300 1.700 peak 2027 spectrum 1 weight 0.10000E+01 volume 0.50903E-03 ppm1 8.389 ppm2 4.057 CV 1 OR { 2027} (( segid " " and resid 135 and name HN )) (( segid " " and resid 137 and name HA )) ASSI { 2035} (( segid " " and resid 135 and name HN )) (( segid " " and resid 132 and name HB2 )) 4.300 2.400 1.700 peak 2035 spectrum 1 weight 0.10000E+01 volume 0.59116E-03 ppm1 8.389 ppm2 1.686 CV 1 OR { 2035} (( segid " " and resid 135 and name HN )) (( segid " " and resid 138 and name HB3 )) OR { 2035} (( segid " " and resid 135 and name HN )) (( segid " " and resid 137 and name HD2 )) OR { 2035} (( segid " " and resid 135 and name HN )) (( segid " " and resid 137 and name HD3 )) ASSI { 2036} (( segid " " and resid 135 and name HN )) (( segid " " and resid 133 and name HB3 )) 4.600 2.700 1.400 peak 2036 spectrum 1 weight 0.10000E+01 volume 0.50974E-03 ppm1 8.389 ppm2 1.915 CV 1 OR { 2036} (( segid " " and resid 135 and name HN )) (( segid " " and resid 137 and name HB3 )) OR { 2036} (( segid " " and resid 135 and name HN )) (( segid " " and resid 137 and name HB2 )) OR { 2036} (( segid " " and resid 135 and name HN )) (( segid " " and resid 139 and name HB2 )) ASSI { 2040} (( segid " " and resid 28 and name HN )) (( segid " " and resid 52 and name HB )) 3.900 1.900 1.900 peak 2040 spectrum 1 weight 0.10000E+01 volume 0.74479E-03 ppm1 8.146 ppm2 2.242 CV 1 OR { 2040} (( segid " " and resid 123 and name HN )) (( segid " " and resid 120 and name HB2 )) ASSI { 2049} (( segid " " and resid 137 and name HN )) (( segid " " and resid 133 and name HA )) 3.100 3.100 2.900 peak 2049 spectrum 1 weight 0.10000E+01 volume 0.72930E-03 ppm1 7.586 ppm2 3.969 CV 1 OR { 2049} (( segid " " and resid 137 and name HN )) (( segid " " and resid 107 and name HA )) ASSI { 2052} (( segid " " and resid 137 and name HN )) ( segid " " and resid 135 and name HG1%) 4.500 2.500 1.500 peak 2052 spectrum 1 weight 0.10000E+01 volume 0.59382E-03 ppm1 7.586 ppm2 0.707 CV 1 OR { 2052} (( segid " " and resid 137 and name HN )) ( segid " " and resid 142 and name HG2%) OR { 2052} (( segid " " and resid 137 and name HN )) ( segid " " and resid 139 and name HD2%) ASSI { 2058} (( segid " " and resid 138 and name HN )) (( segid " " and resid 137 and name HG3 )) 3.900 1.900 1.900 peak 2058 spectrum 1 weight 0.10000E+01 volume 0.16140E-02 ppm1 7.508 ppm2 1.451 CV 1 OR { 2058} (( segid " " and resid 138 and name HN )) (( segid " " and resid 139 and name HG )) ASSI { 2062} (( segid " " and resid 138 and name HN )) ( segid " " and resid 135 and name HG1%) 4.300 2.300 1.700 peak 2062 spectrum 1 weight 0.10000E+01 volume 0.95869E-03 ppm1 7.508 ppm2 0.712 CV 1 OR { 2062} (( segid " " and resid 138 and name HN )) ( segid " " and resid 139 and name HD2%) ASSI { 2070} (( segid " " and resid 141 and name HN )) (( segid " " and resid 113 and name HA )) 4.700 2.700 1.300 peak 2070 spectrum 1 weight 0.10000E+01 volume 0.51881E-03 ppm1 9.998 ppm2 3.863 CV 1 OR { 2070} (( segid " " and resid 141 and name HN )) (( segid " " and resid 142 and name HA )) ASSI { 2086} (( segid " " and resid 142 and name HN )) (( segid " " and resid 115 and name HB2 )) 3.200 1.300 1.300 peak 2086 spectrum 1 weight 0.10000E+01 volume 0.20386E-02 ppm1 7.533 ppm2 1.921 CV 1 OR { 2086} (( segid " " and resid 142 and name HN )) (( segid " " and resid 141 and name HB3 )) OR { 2086} (( segid " " and resid 142 and name HN )) (( segid " " and resid 139 and name HB2 )) ASSI { 2092} (( segid " " and resid 143 and name HN )) (( segid " " and resid 91 and name HB2 )) 3.100 3.100 2.900 peak 2092 spectrum 1 weight 0.10000E+01 volume 0.69503E-03 ppm1 8.597 ppm2 1.837 CV 1 OR { 2092} (( segid " " and resid 143 and name HN )) (( segid " " and resid 91 and name HD2 )) OR { 2092} (( segid " " and resid 143 and name HN )) (( segid " " and resid 154 and name HB2 )) ASSI { 2105} (( segid " " and resid 144 and name HN )) (( segid " " and resid 143 and name HA )) 3.300 1.400 1.400 peak 2105 spectrum 1 weight 0.10000E+01 volume 0.13180E-02 ppm1 8.152 ppm2 4.350 CV 1 OR { 2105} (( segid " " and resid 89 and name HD21)) (( segid " " and resid 64 and name HA )) ASSI { 2109} (( segid " " and resid 144 and name HN )) ( segid " " and resid 142 and name HG2%) 2.800 1.000 1.000 peak 2109 spectrum 1 weight 0.10000E+01 volume 0.39223E-02 ppm1 8.153 ppm2 0.733 CV 1 OR { 2109} (( segid " " and resid 144 and name HN )) ( segid " " and resid 145 and name HD2%) ASSI { 2135} (( segid " " and resid 147 and name HN )) (( segid " " and resid 146 and name HB2 )) 4.500 2.500 1.500 peak 2135 spectrum 1 weight 0.10000E+01 volume 0.64442E-03 ppm1 8.875 ppm2 2.910 CV 1 OR { 2135} (( segid " " and resid 147 and name HN )) (( segid " " and resid 148 and name HB2 )) OR { 2135} (( segid " " and resid 147 and name HN )) (( segid " " and resid 148 and name HB3 )) ASSI { 2136} (( segid " " and resid 147 and name HN )) (( segid " " and resid 144 and name HB2 )) 4.000 2.000 2.000 peak 2136 spectrum 1 weight 0.10000E+01 volume 0.69673E-03 ppm1 8.875 ppm2 2.821 CV 1 OR { 2136} (( segid " " and resid 147 and name HN )) (( segid " " and resid 146 and name HB3 )) ASSI { 2145} (( segid " " and resid 148 and name HN )) (( segid " " and resid 145 and name HA )) 4.200 2.200 1.800 peak 2145 spectrum 1 weight 0.10000E+01 volume 0.57407E-03 ppm1 8.024 ppm2 5.561 CV 1 OR { 2145} (( segid " " and resid 148 and name HN )) (( segid " " and resid 149 and name HA )) ASSI { 2198} (( segid " " and resid 153 and name HN )) (( segid " " and resid 148 and name HB3 )) 3.100 1.200 1.200 peak 2198 spectrum 1 weight 0.10000E+01 volume 0.19197E-02 ppm1 8.797 ppm2 2.918 CV 1 OR { 2198} (( segid " " and resid 153 and name HN )) (( segid " " and resid 151 and name HB2 )) OR { 2198} (( segid " " and resid 153 and name HN )) (( segid " " and resid 152 and name HB3 )) ASSI { 2224} (( segid " " and resid 6 and name HN )) (( segid " " and resid 6 and name HB2 )) 2.800 1.000 1.000 peak 2224 spectrum 1 weight 0.10000E+01 volume 0.21694E-02 ppm1 8.287 ppm2 2.232 CV 1 OR { 2224} (( segid " " and resid 157 and name HN )) (( segid " " and resid 156 and name HB2 )) ASSI { 2225} (( segid " " and resid 157 and name HN )) (( segid " " and resid 156 and name HB3 )) 3.100 1.200 1.200 peak 2225 spectrum 1 weight 0.10000E+01 volume 0.34070E-02 ppm1 8.287 ppm2 1.884 CV 1 OR { 2225} (( segid " " and resid 6 and name HN )) (( segid " " and resid 6 and name HG2 )) ASSI { 2229} (( segid " " and resid 158 and name HN )) (( segid " " and resid 159 and name HN )) 2.600 0.900 0.900 peak 2229 spectrum 1 weight 0.10000E+01 volume 0.40184E-02 ppm1 7.950 ppm2 8.300 CV 1 OR { 2229} (( segid " " and resid 158 and name HN )) (( segid " " and resid 157 and name HN )) ASSI { 2246} (( segid " " and resid 160 and name HN )) (( segid " " and resid 159 and name HN )) 2.500 0.800 0.800 peak 2246 spectrum 1 weight 0.10000E+01 volume 0.74839E-02 ppm1 7.832 ppm2 8.322 CV 1 OR { 2246} (( segid " " and resid 160 and name HN )) (( segid " " and resid 161 and name HN )) ASSI { 2270} (( segid " " and resid 162 and name HN )) ( segid " " and resid 160 and name HG2%) 3.300 1.400 1.400 peak 2270 spectrum 1 weight 0.10000E+01 volume 0.83117E-03 ppm1 8.173 ppm2 0.873 CV 1 OR { 2270} (( segid " " and resid 162 and name HN )) ( segid " " and resid 164 and name HG2%) OR { 2270} (( segid " " and resid 162 and name HN )) ( segid " " and resid 164 and name HG1%) ASSI { 2291} (( segid " " and resid 118 and name HN )) (( segid " " and resid 145 and name HN )) 5.000 3.100 1.000 peak 2291 spectrum 1 weight 0.10000E+01 volume 0.36900E-03 ppm1 8.445 ppm2 8.993 CV 1 OR { 2291} (( segid " " and resid 118 and name HN )) (( segid " " and resid 116 and name HN )) ASSI { 2309} (( segid " " and resid 51 and name HD21)) ( segid " " and resid 50 and name HG2%) 4.400 2.400 1.600 peak 2309 spectrum 1 weight 0.10000E+01 volume 0.48835E-03 ppm1 7.694 ppm2 0.722 CV 1 OR { 2309} (( segid " " and resid 51 and name HD21)) ( segid " " and resid 52 and name HG1%) ASSI { 2314} (( segid " " and resid 94 and name HD22)) (( segid " " and resid 70 and name HA )) 2.700 2.700 3.300 peak 2314 spectrum 1 weight 0.10000E+01 volume 0.12991E-02 ppm1 6.935 ppm2 4.755 CV 1 OR { 2314} (( segid " " and resid 94 and name HD22)) (( segid " " and resid 123 and name HA )) ASSI { 2320} (( segid " " and resid 143 and name HN )) (( segid " " and resid 116 and name HN )) 4.900 3.000 1.100 peak 2320 spectrum 1 weight 0.10000E+01 volume 0.39250E-03 ppm1 8.596 ppm2 9.000 CV 1 OR { 2320} (( segid " " and resid 143 and name HN )) (( segid " " and resid 145 and name HN )) ASSI { 2321} (( segid " " and resid 74 and name HD21)) ( segid " " and resid 52 and name HG2%) 3.400 1.500 1.500 peak 2321 spectrum 1 weight 0.10000E+01 volume 0.15486E-02 ppm1 7.851 ppm2 0.744 CV 1 OR { 2321} (( segid " " and resid 74 and name HD21)) ( segid " " and resid 76 and name HD1%) OR { 2321} (( segid " " and resid 74 and name HD21)) ( segid " " and resid 54 and name HD1%) ASSI { 2322} (( segid " " and resid 74 and name HD22)) ( segid " " and resid 52 and name HG2%) 3.100 1.200 1.200 peak 2322 spectrum 1 weight 0.10000E+01 volume 0.12115E-02 ppm1 7.181 ppm2 0.747 CV 1 OR { 2322} (( segid " " and resid 74 and name HD22)) ( segid " " and resid 54 and name HD1%) ASSI { 2348} (( segid " " and resid 98 and name HD21)) (( segid " " and resid 71 and name HB2 )) 4.700 2.700 1.300 peak 2348 spectrum 1 weight 0.10000E+01 volume 0.46899E-03 ppm1 7.598 ppm2 1.862 CV 1 OR { 2348} (( segid " " and resid 98 and name HD21)) (( segid " " and resid 95 and name HB2 )) ASSI { 2349} (( segid " " and resid 98 and name HD21)) (( segid " " and resid 71 and name HB3 )) 3.700 1.700 1.700 peak 2349 spectrum 1 weight 0.10000E+01 volume 0.38956E-03 ppm1 7.598 ppm2 1.649 CV 1 OR { 2349} (( segid " " and resid 98 and name HD21)) (( segid " " and resid 76 and name HB )) ASSI { 2350} (( segid " " and resid 98 and name HD21)) ( segid " " and resid 95 and name HD2%) 3.900 1.900 1.900 peak 2350 spectrum 1 weight 0.10000E+01 volume 0.12098E-02 ppm1 7.598 ppm2 0.753 CV 1 OR { 2350} (( segid " " and resid 98 and name HD21)) ( segid " " and resid 76 and name HD1%) ASSI { 2364} (( segid " " and resid 98 and name HD22)) ( segid " " and resid 95 and name HD2%) 3.900 1.900 1.900 peak 2364 spectrum 1 weight 0.10000E+01 volume 0.97683E-03 ppm1 6.302 ppm2 0.745 CV 1 OR { 2364} (( segid " " and resid 98 and name HD22)) ( segid " " and resid 76 and name HD1%) ASSI { 2365} (( segid " " and resid 132 and name HE )) (( segid " " and resid 132 and name HN )) 5.100 3.300 0.900 peak 2365 spectrum 1 weight 0.10000E+01 volume 0.39009E-03 ppm1 7.894 ppm2 8.209 CV 1 OR { 2365} (( segid " " and resid 132 and name HE )) (( segid " " and resid 133 and name HN )) ASSI { 2383} (( segid " " and resid 141 and name HE21)) (( segid " " and resid 115 and name HB2 )) 3.500 1.500 1.500 peak 2383 spectrum 1 weight 0.10000E+01 volume 0.12202E-02 ppm1 7.629 ppm2 1.939 CV 1 OR { 2383} (( segid " " and resid 141 and name HE21)) (( segid " " and resid 141 and name HB3 )) OR { 2383} (( segid " " and resid 141 and name HE21)) (( segid " " and resid 110 and name HB3 )) OR { 2383} (( segid " " and resid 141 and name HE21)) (( segid " " and resid 113 and name HB3 )) ASSI { 2388} (( segid " " and resid 141 and name HE22)) (( segid " " and resid 115 and name HN )) 3.300 1.400 1.400 peak 2388 spectrum 1 weight 0.10000E+01 volume 0.37434E-03 ppm1 6.030 ppm2 6.995 CV 1 OR { 2388} (( segid " " and resid 141 and name HE22)) (( segid " " and resid 111 and name HN )) ASSI { 2394} (( segid " " and resid 141 and name HE22)) (( segid " " and resid 115 and name HB2 )) 4.100 2.100 1.900 peak 2394 spectrum 1 weight 0.10000E+01 volume 0.85668E-03 ppm1 6.030 ppm2 1.939 CV 1 OR { 2394} (( segid " " and resid 141 and name HE22)) (( segid " " and resid 141 and name HB3 )) OR { 2394} (( segid " " and resid 141 and name HE22)) (( segid " " and resid 110 and name HB3 )) ASSI { 2395} (( segid " " and resid 141 and name HE22)) (( segid " " and resid 112 and name HB2 )) 3.800 1.800 1.800 peak 2395 spectrum 1 weight 0.10000E+01 volume 0.74990E-03 ppm1 6.030 ppm2 2.017 CV 1 OR { 2395} (( segid " " and resid 141 and name HE22)) (( segid " " and resid 110 and name HB2 )) ASSI { 2396} (( segid " " and resid 141 and name HE22)) (( segid " " and resid 115 and name HG )) 3.800 1.900 1.900 peak 2396 spectrum 1 weight 0.10000E+01 volume 0.62638E-03 ppm1 6.030 ppm2 1.346 CV 1 OR { 2396} (( segid " " and resid 141 and name HE22)) (( segid " " and resid 109 and name HB3 )) ASSI { 2438} (( segid " " and resid 64 and name HD22)) (( segid " " and resid 88 and name HG3 )) 3.100 1.200 1.200 peak 2438 spectrum 1 weight 0.10000E+01 volume 0.54311E-03 ppm1 6.836 ppm2 1.874 CV 1 OR { 2438} (( segid " " and resid 64 and name HD22)) (( segid " " and resid 62 and name HB2 )) ASSI { 2449} (( segid " " and resid 94 and name HD22)) (( segid " " and resid 70 and name HG2 )) 3.900 1.900 1.900 peak 2449 spectrum 1 weight 0.10000E+01 volume 0.54752E-03 ppm1 6.944 ppm2 2.525 CV 1 OR { 2449} (( segid " " and resid 26 and name HD22)) (( segid " " and resid 25 and name HB2 )) ASSI { 2450} (( segid " " and resid 26 and name HD22)) (( segid " " and resid 25 and name HB3 )) 3.000 3.000 3.000 peak 2450 spectrum 1 weight 0.10000E+01 volume 0.68551E-03 ppm1 6.944 ppm2 2.422 CV 1 OR { 2450} (( segid " " and resid 94 and name HD22)) (( segid " " and resid 70 and name HG3 )) ASSI { 2455} (( segid " " and resid 13 and name HD21)) (( segid " " and resid 14 and name HB3 )) 3.900 1.900 1.900 peak 2455 spectrum 1 weight 0.10000E+01 volume 0.37234E-03 ppm1 7.577 ppm2 1.853 CV 1 OR { 2455} (( segid " " and resid 13 and name HD21)) (( segid " " and resid 12 and name HB2 )) ASSI { 2460} (( segid " " and resid 13 and name HD22)) (( segid " " and resid 13 and name HB3 )) 4.100 2.100 1.900 peak 2460 spectrum 1 weight 0.10000E+01 volume 0.18450E-02 ppm1 6.850 ppm2 2.933 CV 1 OR { 2460} (( segid " " and resid 38 and name HN )) (( segid " " and resid 41 and name HB3 )) ASSI { 2462} (( segid " " and resid 38 and name HN )) (( segid " " and resid 61 and name HB3 )) 4.100 2.100 1.900 peak 2462 spectrum 1 weight 0.10000E+01 volume 0.42587E-03 ppm1 6.850 ppm2 1.855 CV 1 OR { 2462} (( segid " " and resid 38 and name HN )) (( segid " " and resid 16 and name HG2 )) ASSI { 18} (( segid " " and resid 110 and name HG3 )) (( segid " " and resid 111 and name HA )) 3.000 1.100 1.100 peak 18 spectrum 1 weight 0.10000E+01 volume 0.32296E-02 ppm1 1.525 ppm2 4.155 CV 1 OR { 18} (( segid " " and resid 5 and name HG3 )) (( segid " " and resid 5 and name HA )) ASSI { 34} (( segid " " and resid 9 and name HB2 )) (( segid " " and resid 6 and name HA )) 3.200 1.300 1.300 peak 34 spectrum 1 weight 0.10000E+01 volume 0.14407E-02 ppm1 1.937 ppm2 4.264 CV 1 OR { 34} (( segid " " and resid 115 and name HB2 )) (( segid " " and resid 141 and name HA )) ASSI { 45} (( segid " " and resid 88 and name HG3 )) (( segid " " and resid 90 and name HN )) 4.900 3.000 1.100 peak 45 spectrum 1 weight 0.10000E+01 volume 0.90187E-03 ppm1 1.846 ppm2 7.172 CV 1 OR { 45} (( segid " " and resid 9 and name HG )) ( segid " " and resid 8 and name HD% ) ASSI { 57} (( segid " " and resid 10 and name HB3 )) ( segid " " and resid 22 and name HD1%) 3.400 1.500 1.500 peak 57 spectrum 1 weight 0.10000E+01 volume 0.27241E-02 ppm1 2.018 ppm2 0.707 CV 1 OR { 57} (( segid " " and resid 10 and name HB3 )) ( segid " " and resid 22 and name HD2%) OR { 57} (( segid " " and resid 124 and name HB3 )) ( segid " " and resid 125 and name HG2%) OR { 57} (( segid " " and resid 124 and name HB2 )) ( segid " " and resid 125 and name HG2%) ASSI { 134} (( segid " " and resid 20 and name HB2 )) (( segid " " and resid 21 and name HN )) 3.600 1.600 1.600 peak 134 spectrum 1 weight 0.10000E+01 volume 0.16625E-02 ppm1 2.070 ppm2 7.750 CV 1 OR { 134} (( segid " " and resid 21 and name HB3 )) (( segid " " and resid 21 and name HN )) ASSI { 161} (( segid " " and resid 22 and name HB3 )) (( segid " " and resid 22 and name HN )) 2.900 1.000 1.000 peak 161 spectrum 1 weight 0.10000E+01 volume 0.20184E-02 ppm1 1.302 ppm2 8.162 CV 1 OR { 161} (( segid " " and resid 93 and name HB3 )) (( segid " " and resid 93 and name HN )) ASSI { 182} ( segid " " and resid 23 and name HG2%) (( segid " " and resid 24 and name HN )) 3.600 1.600 1.600 peak 182 spectrum 1 weight 0.10000E+01 volume 0.18586E-02 ppm1 0.795 ppm2 8.940 CV 1 OR { 182} ( segid " " and resid 49 and name HG2%) (( segid " " and resid 24 and name HN )) ASSI { 188} (( segid " " and resid 71 and name HG )) (( segid " " and resid 71 and name HA )) 3.500 1.600 1.600 peak 188 spectrum 1 weight 0.10000E+01 volume 0.93885E-03 ppm1 1.383 ppm2 4.430 CV 1 OR { 188} (( segid " " and resid 24 and name HG )) (( segid " " and resid 24 and name HA )) ASSI { 191} ( segid " " and resid 24 and name HD2%) (( segid " " and resid 24 and name HA )) 2.300 0.600 0.600 peak 191 spectrum 1 weight 0.10000E+01 volume 0.12291E-01 ppm1 0.705 ppm2 4.445 CV 1 OR { 191} ( segid " " and resid 71 and name HD2%) (( segid " " and resid 71 and name HA )) ASSI { 192} ( segid " " and resid 24 and name HD2%) (( segid " " and resid 24 and name HN )) 3.200 1.300 1.300 peak 192 spectrum 1 weight 0.10000E+01 volume 0.21942E-02 ppm1 0.705 ppm2 8.944 CV 1 OR { 192} ( segid " " and resid 47 and name HD2%) (( segid " " and resid 70 and name HN )) ASSI { 238} (( segid " " and resid 36 and name HA1 )) ( segid " " and resid 7 and name HD1%) 3.900 1.900 1.900 peak 238 spectrum 1 weight 0.10000E+01 volume 0.20612E-02 ppm1 4.203 ppm2 0.700 CV 1 OR { 238} (( segid " " and resid 36 and name HA1 )) ( segid " " and resid 34 and name HG2%) ASSI { 239} (( segid " " and resid 36 and name HA2 )) ( segid " " and resid 7 and name HD1%) 2.800 1.000 1.000 peak 239 spectrum 1 weight 0.10000E+01 volume 0.19235E-02 ppm1 3.659 ppm2 0.699 CV 1 OR { 239} (( segid " " and resid 36 and name HA2 )) ( segid " " and resid 34 and name HG2%) ASSI { 264} (( segid " " and resid 21 and name HA )) (( segid " " and resid 21 and name HN )) 2.600 0.800 0.800 peak 264 spectrum 1 weight 0.10000E+01 volume 0.35812E-02 ppm1 5.470 ppm2 7.741 CV 1 OR { 264} (( segid " " and resid 21 and name HA )) (( segid " " and resid 46 and name HN )) ASSI { 297} (( segid " " and resid 41 and name HB2 )) (( segid " " and resid 44 and name HB3 )) 4.100 2.100 1.900 peak 297 spectrum 1 weight 0.10000E+01 volume 0.11731E-02 ppm1 3.280 ppm2 1.579 CV 1 OR { 297} (( segid " " and resid 41 and name HB2 )) (( segid " " and resid 61 and name HG2 )) ASSI { 345} (( segid " " and resid 45 and name HG2 )) (( segid " " and resid 66 and name HA )) 4.400 2.400 1.600 peak 345 spectrum 1 weight 0.10000E+01 volume 0.97934E-03 ppm1 2.640 ppm2 4.133 CV 1 OR { 345} (( segid " " and resid 45 and name HG2 )) (( segid " " and resid 44 and name HA )) ASSI { 346} (( segid " " and resid 45 and name HG3 )) (( segid " " and resid 44 and name HA )) 4.300 2.300 1.700 peak 346 spectrum 1 weight 0.10000E+01 volume 0.72960E-03 ppm1 2.370 ppm2 4.134 CV 1 OR { 346} (( segid " " and resid 45 and name HG3 )) (( segid " " and resid 66 and name HA )) ASSI { 363} (( segid " " and resid 46 and name HA )) (( segid " " and resid 68 and name HB3 )) 4.000 2.000 2.000 peak 363 spectrum 1 weight 0.10000E+01 volume 0.12065E-02 ppm1 5.818 ppm2 1.769 CV 1 OR { 363} (( segid " " and resid 46 and name HA )) (( segid " " and resid 47 and name HB2 )) ASSI { 371} (( segid " " and resid 47 and name HB2 )) ( segid " " and resid 44 and name HD1%) 2.700 0.900 0.900 peak 371 spectrum 1 weight 0.10000E+01 volume 0.29655E-02 ppm1 1.804 ppm2 0.851 CV 1 OR { 371} (( segid " " and resid 47 and name HB2 )) ( segid " " and resid 69 and name HD2%) ASSI { 374} (( segid " " and resid 47 and name HB3 )) ( segid " " and resid 69 and name HD2%) 3.000 1.100 1.100 peak 374 spectrum 1 weight 0.10000E+01 volume 0.27163E-02 ppm1 1.112 ppm2 0.851 CV 1 OR { 374} (( segid " " and resid 47 and name HB3 )) ( segid " " and resid 44 and name HD1%) ASSI { 401} (( segid " " and resid 50 and name HB )) (( segid " " and resid 25 and name HB2 )) 3.800 1.800 1.800 peak 401 spectrum 1 weight 0.10000E+01 volume 0.10658E-02 ppm1 1.312 ppm2 2.524 CV 1 OR { 401} (( segid " " and resid 50 and name HB )) (( segid " " and resid 70 and name HB2 )) ASSI { 417} (( segid " " and resid 124 and name HG2 )) (( segid " " and resid 100 and name HN )) 3.700 1.700 1.700 peak 417 spectrum 1 weight 0.10000E+01 volume 0.10157E-02 ppm1 2.360 ppm2 6.607 CV 1 OR { 417} (( segid " " and resid 124 and name HG3 )) (( segid " " and resid 100 and name HN )) OR { 417} (( segid " " and resid 51 and name HB3 )) (( segid " " and resid 51 and name HD22)) ASSI { 420} (( segid " " and resid 51 and name HB3 )) ( segid " " and resid 50 and name HG2%) 3.000 1.100 1.100 peak 420 spectrum 1 weight 0.10000E+01 volume 0.31992E-02 ppm1 2.360 ppm2 0.718 CV 1 OR { 420} (( segid " " and resid 51 and name HB3 )) ( segid " " and resid 52 and name HG1%) OR { 420} (( segid " " and resid 124 and name HG2 )) ( segid " " and resid 125 and name HG2%) ASSI { 448} (( segid " " and resid 57 and name HB )) ( segid " " and resid 57 and name HD1%) 2.400 0.700 0.700 peak 448 spectrum 1 weight 0.10000E+01 volume 0.83748E-02 ppm1 2.310 ppm2 0.722 CV 1 OR { 448} (( segid " " and resid 57 and name HB )) ( segid " " and resid 60 and name HD1%) OR { 448} (( segid " " and resid 57 and name HB )) ( segid " " and resid 60 and name HD2%) ASSI { 464} (( segid " " and resid 59 and name HB2 )) (( segid " " and resid 59 and name HD21)) 2.800 1.000 1.000 peak 464 spectrum 1 weight 0.10000E+01 volume 0.22401E-02 ppm1 2.958 ppm2 7.729 CV 1 OR { 464} (( segid " " and resid 13 and name HB3 )) (( segid " " and resid 14 and name HN )) ASSI { 485} (( segid " " and resid 61 and name HB2 )) (( segid " " and resid 39 and name HA )) 2.400 0.700 0.700 peak 485 spectrum 1 weight 0.10000E+01 volume 0.52407E-02 ppm1 2.064 ppm2 4.632 CV 1 OR { 485} (( segid " " and resid 61 and name HB2 )) (( segid " " and resid 61 and name HA )) ASSI { 486} (( segid " " and resid 61 and name HB3 )) (( segid " " and resid 61 and name HA )) 2.400 0.700 0.700 peak 486 spectrum 1 weight 0.10000E+01 volume 0.50417E-02 ppm1 1.847 ppm2 4.632 CV 1 OR { 486} (( segid " " and resid 61 and name HB3 )) (( segid " " and resid 39 and name HA )) ASSI { 530} (( segid " " and resid 116 and name HB2 )) (( segid " " and resid 116 and name HA )) 2.400 0.700 0.700 peak 530 spectrum 1 weight 0.10000E+01 volume 0.51264E-02 ppm1 1.985 ppm2 4.827 CV 1 OR { 530} (( segid " " and resid 67 and name HB2 )) (( segid " " and resid 67 and name HA )) OR { 530} (( segid " " and resid 116 and name HB3 )) (( segid " " and resid 116 and name HA )) OR { 530} (( segid " " and resid 67 and name HB3 )) (( segid " " and resid 67 and name HA )) ASSI { 557} (( segid " " and resid 150 and name HB2 )) (( segid " " and resid 151 and name HN )) 3.400 1.400 1.400 peak 557 spectrum 1 weight 0.10000E+01 volume 0.81423E-03 ppm1 1.349 ppm2 8.180 CV 1 OR { 557} (( segid " " and resid 68 and name HD2 )) (( segid " " and resid 68 and name HN )) ASSI { 597} (( segid " " and resid 70 and name HB3 )) ( segid " " and resid 46 and name HE% ) 3.700 1.700 1.700 peak 597 spectrum 1 weight 0.10000E+01 volume 0.14634E-02 ppm1 2.134 ppm2 7.197 CV 1 OR { 597} (( segid " " and resid 70 and name HB3 )) (( segid " " and resid 74 and name HD22)) ASSI { 598} (( segid " " and resid 70 and name HB2 )) ( segid " " and resid 46 and name HE% ) 3.800 1.800 1.800 peak 598 spectrum 1 weight 0.10000E+01 volume 0.94837E-03 ppm1 2.503 ppm2 7.197 CV 1 OR { 598} (( segid " " and resid 70 and name HB2 )) (( segid " " and resid 74 and name HD22)) ASSI { 627} (( segid " " and resid 73 and name HG2 )) (( segid " " and resid 51 and name HN )) 4.600 2.700 1.400 peak 627 spectrum 1 weight 0.10000E+01 volume 0.79038E-03 ppm1 2.198 ppm2 8.172 CV 1 OR { 627} (( segid " " and resid 161 and name HG2 )) (( segid " " and resid 162 and name HN )) OR { 627} (( segid " " and resid 161 and name HG3 )) (( segid " " and resid 162 and name HN )) ASSI { 639} (( segid " " and resid 74 and name HB3 )) (( segid " " and resid 54 and name HB3 )) 2.700 0.900 0.900 peak 639 spectrum 1 weight 0.10000E+01 volume 0.20428E-02 ppm1 3.192 ppm2 1.319 CV 1 OR { 639} (( segid " " and resid 132 and name HD3 )) (( segid " " and resid 132 and name HG3 )) OR { 639} (( segid " " and resid 74 and name HB3 )) (( segid " " and resid 54 and name HB2 )) OR { 639} (( segid " " and resid 74 and name HB2 )) (( segid " " and resid 54 and name HB2 )) ASSI { 640} (( segid " " and resid 74 and name HB3 )) ( segid " " and resid 76 and name HD1%) 3.100 1.200 1.200 peak 640 spectrum 1 weight 0.10000E+01 volume 0.19725E-02 ppm1 3.192 ppm2 0.754 CV 1 OR { 640} (( segid " " and resid 74 and name HB2 )) ( segid " " and resid 76 and name HD1%) OR { 640} (( segid " " and resid 74 and name HB3 )) ( segid " " and resid 54 and name HD1%) OR { 640} (( segid " " and resid 74 and name HB2 )) ( segid " " and resid 54 and name HD1%) ASSI { 686} (( segid " " and resid 76 and name HB )) ( segid " " and resid 76 and name HD1%) 3.100 1.200 1.200 peak 686 spectrum 1 weight 0.10000E+01 volume 0.55323E-02 ppm1 1.644 ppm2 0.757 CV 1 OR { 686} (( segid " " and resid 76 and name HB )) ( segid " " and resid 95 and name HD2%) ASSI { 697} ( segid " " and resid 76 and name HG2%) (( segid " " and resid 76 and name HB )) 2.200 0.600 0.600 peak 697 spectrum 1 weight 0.10000E+01 volume 0.94301E-02 ppm1 0.941 ppm2 1.642 CV 1 OR { 697} ( segid " " and resid 30 and name HG2%) (( segid " " and resid 30 and name HG12)) ASSI { 717} (( segid " " and resid 78 and name HA2 )) ( segid " " and resid 105 and name HG2%) 3.400 1.400 1.400 peak 717 spectrum 1 weight 0.10000E+01 volume 0.24290E-02 ppm1 4.019 ppm2 1.361 CV 1 OR { 717} (( segid " " and resid 32 and name HA2 )) (( segid " " and resid 33 and name HG2 )) ASSI { 720} (( segid " " and resid 79 and name HB2 )) ( segid " " and resid 57 and name HD1%) 3.600 1.700 1.700 peak 720 spectrum 1 weight 0.10000E+01 volume 0.14098E-02 ppm1 2.969 ppm2 0.732 CV 1 OR { 720} (( segid " " and resid 79 and name HB3 )) ( segid " " and resid 57 and name HD1%) OR { 720} (( segid " " and resid 79 and name HB3 )) ( segid " " and resid 60 and name HD1%) ASSI { 721} (( segid " " and resid 79 and name HB2 )) ( segid " " and resid 76 and name HG2%) 3.600 1.600 1.600 peak 721 spectrum 1 weight 0.10000E+01 volume 0.12721E-02 ppm1 2.969 ppm2 0.960 CV 1 OR { 721} (( segid " " and resid 79 and name HB3 )) ( segid " " and resid 82 and name HG2%) OR { 721} (( segid " " and resid 79 and name HB3 )) ( segid " " and resid 76 and name HG2%) OR { 721} (( segid " " and resid 79 and name HB2 )) ( segid " " and resid 82 and name HG2%) ASSI { 722} (( segid " " and resid 79 and name HB2 )) (( segid " " and resid 57 and name HG13)) 3.100 1.200 1.200 peak 722 spectrum 1 weight 0.10000E+01 volume 0.26740E-02 ppm1 2.969 ppm2 1.065 CV 1 OR { 722} (( segid " " and resid 79 and name HB3 )) (( segid " " and resid 57 and name HG13)) OR { 722} (( segid " " and resid 79 and name HB3 )) ( segid " " and resid 82 and name HG1%) ASSI { 729} (( segid " " and resid 80 and name HB2 )) ( segid " " and resid 80 and name HD1%) 2.600 0.900 0.900 peak 729 spectrum 1 weight 0.10000E+01 volume 0.36355E-02 ppm1 1.750 ppm2 0.806 CV 1 OR { 729} (( segid " " and resid 80 and name HB2 )) ( segid " " and resid 83 and name HD1%) ASSI { 733} (( segid " " and resid 80 and name HB3 )) ( segid " " and resid 80 and name HD1%) 2.600 0.800 0.800 peak 733 spectrum 1 weight 0.10000E+01 volume 0.37875E-02 ppm1 1.443 ppm2 0.806 CV 1 OR { 733} (( segid " " and resid 80 and name HB3 )) ( segid " " and resid 83 and name HD1%) ASSI { 736} (( segid " " and resid 80 and name HB3 )) (( segid " " and resid 80 and name HA )) 2.700 0.900 0.900 peak 736 spectrum 1 weight 0.10000E+01 volume 0.20428E-02 ppm1 1.443 ppm2 3.992 CV 1 OR { 736} (( segid " " and resid 80 and name HB3 )) (( segid " " and resid 81 and name HA )) ASSI { 741} (( segid " " and resid 108 and name HG3 )) (( segid " " and resid 108 and name HB2 )) 2.200 0.600 0.600 peak 741 spectrum 1 weight 0.10000E+01 volume 0.11433E-01 ppm1 2.057 ppm2 2.359 CV 1 OR { 741} (( segid " " and resid 81 and name HB3 )) (( segid " " and resid 81 and name HG3 )) OR { 741} (( segid " " and resid 81 and name HB2 )) (( segid " " and resid 81 and name HG2 )) OR { 741} (( segid " " and resid 81 and name HB2 )) (( segid " " and resid 81 and name HG3 )) OR { 741} (( segid " " and resid 81 and name HB3 )) (( segid " " and resid 81 and name HG2 )) ASSI { 746} (( segid " " and resid 108 and name HG2 )) (( segid " " and resid 108 and name HB3 )) 2.300 0.700 0.700 peak 746 spectrum 1 weight 0.10000E+01 volume 0.49653E-02 ppm1 2.057 ppm2 1.167 CV 1 OR { 746} (( segid " " and resid 108 and name HG3 )) (( segid " " and resid 108 and name HB3 )) OR { 746} (( segid " " and resid 81 and name HB2 )) (( segid " " and resid 108 and name HB3 )) ASSI { 749} (( segid " " and resid 108 and name HG2 )) (( segid " " and resid 80 and name HN )) 3.800 1.800 1.800 peak 749 spectrum 1 weight 0.10000E+01 volume 0.81188E-03 ppm1 2.057 ppm2 9.018 CV 1 OR { 749} (( segid " " and resid 108 and name HG3 )) (( segid " " and resid 80 and name HN )) OR { 749} (( segid " " and resid 81 and name HB3 )) (( segid " " and resid 80 and name HN )) ASSI { 765} (( segid " " and resid 83 and name HB3 )) ( segid " " and resid 112 and name HD1%) 2.800 1.000 1.000 peak 765 spectrum 1 weight 0.10000E+01 volume 0.22943E-02 ppm1 1.212 ppm2 0.942 CV 1 OR { 765} (( segid " " and resid 83 and name HB3 )) ( segid " " and resid 90 and name HD1%) ASSI { 775} ( segid " " and resid 83 and name HD2%) (( segid " " and resid 57 and name HB )) 3.700 1.700 1.700 peak 775 spectrum 1 weight 0.10000E+01 volume 0.95493E-03 ppm1 0.637 ppm2 2.321 CV 1 OR { 775} ( segid " " and resid 83 and name HD2%) (( segid " " and resid 86 and name HB2 )) ASSI { 779} (( segid " " and resid 83 and name HG )) (( segid " " and resid 80 and name HA )) 2.800 1.000 1.000 peak 779 spectrum 1 weight 0.10000E+01 volume 0.33375E-02 ppm1 1.573 ppm2 3.984 CV 1 OR { 779} (( segid " " and resid 80 and name HG )) (( segid " " and resid 80 and name HA )) OR { 779} (( segid " " and resid 80 and name HG )) (( segid " " and resid 78 and name HA2 )) ASSI { 836} (( segid " " and resid 91 and name HB3 )) (( segid " " and resid 114 and name HA )) 3.900 1.900 1.900 peak 836 spectrum 1 weight 0.10000E+01 volume 0.96686E-03 ppm1 1.797 ppm2 4.833 CV 1 OR { 836} (( segid " " and resid 91 and name HB3 )) (( segid " " and resid 116 and name HA )) ASSI { 837} (( segid " " and resid 91 and name HB2 )) (( segid " " and resid 116 and name HA )) 4.000 2.000 2.000 peak 837 spectrum 1 weight 0.10000E+01 volume 0.99963E-03 ppm1 1.837 ppm2 4.831 CV 1 OR { 837} (( segid " " and resid 91 and name HB2 )) (( segid " " and resid 114 and name HA )) OR { 837} (( segid " " and resid 91 and name HB2 )) (( segid " " and resid 67 and name HA )) ASSI { 870} (( segid " " and resid 98 and name HB3 )) (( segid " " and resid 98 and name HA )) 2.900 1.100 1.100 peak 870 spectrum 1 weight 0.10000E+01 volume 0.17823E-02 ppm1 2.795 ppm2 5.404 CV 1 OR { 870} (( segid " " and resid 94 and name HB3 )) (( segid " " and resid 94 and name HA )) ASSI { 880} (( segid " " and resid 95 and name HB2 )) (( segid " " and resid 100 and name HG12)) 3.600 1.600 1.600 peak 880 spectrum 1 weight 0.10000E+01 volume 0.23057E-02 ppm1 1.880 ppm2 1.402 CV 1 OR { 880} (( segid " " and resid 95 and name HB2 )) (( segid " " and resid 120 and name HB3 )) OR { 880} (( segid " " and resid 95 and name HB2 )) ( segid " " and resid 105 and name HG2%) ASSI { 882} (( segid " " and resid 63 and name HB3 )) (( segid " " and resid 66 and name HG )) 2.700 0.900 0.900 peak 882 spectrum 1 weight 0.10000E+01 volume 0.29536E-02 ppm1 1.575 ppm2 1.402 CV 1 OR { 882} (( segid " " and resid 95 and name HB3 )) (( segid " " and resid 100 and name HG12)) OR { 882} (( segid " " and resid 63 and name HB3 )) (( segid " " and resid 61 and name HG3 )) OR { 882} (( segid " " and resid 95 and name HB3 )) ( segid " " and resid 105 and name HG2%) ASSI { 883} (( segid " " and resid 95 and name HB3 )) ( segid " " and resid 95 and name HD1%) 2.500 0.800 0.800 peak 883 spectrum 1 weight 0.10000E+01 volume 0.80171E-02 ppm1 1.575 ppm2 0.766 CV 1 OR { 883} (( segid " " and resid 95 and name HB3 )) ( segid " " and resid 95 and name HD2%) OR { 883} (( segid " " and resid 63 and name HB3 )) ( segid " " and resid 66 and name HD2%) ASSI { 884} (( segid " " and resid 95 and name HB3 )) (( segid " " and resid 95 and name HB2 )) 1.900 0.400 0.400 peak 884 spectrum 1 weight 0.10000E+01 volume 0.57848E-02 ppm1 1.575 ppm2 1.882 CV 1 OR { 884} (( segid " " and resid 63 and name HB3 )) (( segid " " and resid 66 and name HB2 )) ASSI { 895} (( segid " " and resid 97 and name HA1 )) (( segid " " and resid 122 and name HB3 )) 3.700 1.700 1.700 peak 895 spectrum 1 weight 0.10000E+01 volume 0.12184E-02 ppm1 4.090 ppm2 3.065 CV 1 OR { 895} (( segid " " and resid 97 and name HA1 )) (( segid " " and resid 122 and name HB2 )) OR { 895} (( segid " " and resid 97 and name HA1 )) (( segid " " and resid 98 and name HB2 )) ASSI { 896} (( segid " " and resid 97 and name HA2 )) (( segid " " and resid 122 and name HB3 )) 3.600 1.600 1.600 peak 896 spectrum 1 weight 0.10000E+01 volume 0.21024E-02 ppm1 3.799 ppm2 3.065 CV 1 OR { 896} (( segid " " and resid 97 and name HA2 )) (( segid " " and resid 122 and name HB2 )) OR { 896} (( segid " " and resid 97 and name HA2 )) (( segid " " and resid 98 and name HB2 )) ASSI { 910} (( segid " " and resid 98 and name HB2 )) (( segid " " and resid 97 and name HN )) 4.400 2.400 1.600 peak 910 spectrum 1 weight 0.10000E+01 volume 0.87086E-03 ppm1 3.027 ppm2 8.913 CV 1 OR { 910} (( segid " " and resid 98 and name HB2 )) (( segid " " and resid 76 and name HN )) ASSI { 914} (( segid " " and resid 98 and name HB2 )) (( segid " " and resid 100 and name HG12)) 3.100 1.200 1.200 peak 914 spectrum 1 weight 0.10000E+01 volume 0.92748E-03 ppm1 3.027 ppm2 1.395 CV 1 OR { 914} (( segid " " and resid 98 and name HB2 )) (( segid " " and resid 76 and name HG12)) OR { 914} (( segid " " and resid 98 and name HB2 )) (( segid " " and resid 99 and name HB3 )) ASSI { 915} (( segid " " and resid 98 and name HB2 )) ( segid " " and resid 95 and name HD2%) 4.000 2.000 2.000 peak 915 spectrum 1 weight 0.10000E+01 volume 0.10079E-02 ppm1 3.027 ppm2 0.759 CV 1 OR { 915} (( segid " " and resid 98 and name HB2 )) ( segid " " and resid 95 and name HD1%) OR { 915} (( segid " " and resid 98 and name HB2 )) ( segid " " and resid 100 and name HG2%) OR { 915} (( segid " " and resid 98 and name HB2 )) ( segid " " and resid 76 and name HD1%) ASSI { 916} (( segid " " and resid 98 and name HB3 )) (( segid " " and resid 76 and name HB )) 2.700 0.900 0.900 peak 916 spectrum 1 weight 0.10000E+01 volume 0.16088E-02 ppm1 2.779 ppm2 1.644 CV 1 OR { 916} (( segid " " and resid 64 and name HB2 )) (( segid " " and resid 65 and name HG2 )) OR { 916} (( segid " " and resid 64 and name HB3 )) (( segid " " and resid 65 and name HG2 )) ASSI { 917} (( segid " " and resid 98 and name HB3 )) (( segid " " and resid 100 and name HG12)) 3.500 1.500 1.500 peak 917 spectrum 1 weight 0.10000E+01 volume 0.10336E-02 ppm1 2.779 ppm2 1.395 CV 1 OR { 917} (( segid " " and resid 98 and name HB3 )) (( segid " " and resid 76 and name HG12)) OR { 917} (( segid " " and resid 98 and name HB3 )) (( segid " " and resid 99 and name HB3 )) ASSI { 918} (( segid " " and resid 98 and name HB3 )) ( segid " " and resid 95 and name HD2%) 4.000 2.000 2.000 peak 918 spectrum 1 weight 0.10000E+01 volume 0.11820E-02 ppm1 2.779 ppm2 0.759 CV 1 OR { 918} (( segid " " and resid 98 and name HB3 )) ( segid " " and resid 95 and name HD1%) OR { 918} (( segid " " and resid 98 and name HB3 )) ( segid " " and resid 76 and name HD1%) OR { 918} (( segid " " and resid 94 and name HB3 )) ( segid " " and resid 93 and name HD1%) OR { 918} (( segid " " and resid 98 and name HB3 )) ( segid " " and resid 100 and name HG2%) OR { 918} (( segid " " and resid 98 and name HB3 )) ( segid " " and resid 106 and name HG2%) ASSI { 931} (( segid " " and resid 99 and name HB3 )) (( segid " " and resid 77 and name HB2 )) 3.300 1.400 1.400 peak 931 spectrum 1 weight 0.10000E+01 volume 0.13871E-02 ppm1 1.377 ppm2 4.210 CV 1 OR { 931} (( segid " " and resid 99 and name HB3 )) (( segid " " and resid 100 and name HA )) ASSI { 939} (( segid " " and resid 40 and name HB2 )) (( segid " " and resid 40 and name HB3 )) 1.700 0.400 0.500 peak 939 spectrum 1 weight 0.10000E+01 volume 0.11230E-01 ppm1 1.965 ppm2 1.662 CV 1 OR { 939} (( segid " " and resid 99 and name HB2 )) (( segid " " and resid 99 and name HD3 )) OR { 939} (( segid " " and resid 99 and name HB2 )) (( segid " " and resid 99 and name HD2 )) ASSI { 942} (( segid " " and resid 100 and name HB )) (( segid " " and resid 123 and name HB2 )) 3.600 1.600 1.600 peak 942 spectrum 1 weight 0.10000E+01 volume 0.21101E-02 ppm1 2.065 ppm2 3.607 CV 1 OR { 942} (( segid " " and resid 30 and name HB )) (( segid " " and resid 29 and name HB3 )) ASSI { 947} (( segid " " and resid 100 and name HG12)) (( segid " " and resid 100 and name HA )) 3.000 1.100 1.100 peak 947 spectrum 1 weight 0.10000E+01 volume 0.23539E-02 ppm1 1.398 ppm2 4.196 CV 1 OR { 947} (( segid " " and resid 24 and name HG )) (( segid " " and resid 23 and name HA )) ASSI { 948} (( segid " " and resid 86 and name HD3 )) (( segid " " and resid 62 and name HA )) 3.000 1.100 1.100 peak 948 spectrum 1 weight 0.10000E+01 volume 0.20565E-02 ppm1 1.275 ppm2 4.207 CV 1 OR { 948} (( segid " " and resid 100 and name HG13)) (( segid " " and resid 100 and name HA )) OR { 948} (( segid " " and resid 22 and name HG )) (( segid " " and resid 23 and name HA )) ASSI { 953} ( segid " " and resid 100 and name HG2%) (( segid " " and resid 100 and name HG13)) 2.400 0.700 0.700 peak 953 spectrum 1 weight 0.10000E+01 volume 0.44700E-02 ppm1 0.777 ppm2 1.273 CV 1 OR { 953} ( segid " " and resid 100 and name HG2%) (( segid " " and resid 106 and name HG13)) ASSI { 954} ( segid " " and resid 100 and name HG2%) ( segid " " and resid 105 and name HG2%) 2.600 0.800 0.800 peak 954 spectrum 1 weight 0.10000E+01 volume 0.12059E-01 ppm1 0.777 ppm2 1.377 CV 1 OR { 954} ( segid " " and resid 100 and name HG2%) (( segid " " and resid 100 and name HG12)) ASSI { 962} ( segid " " and resid 100 and name HD1%) ( segid " " and resid 100 and name HG2%) 1.800 0.400 0.400 peak 962 spectrum 1 weight 0.10000E+01 volume 0.29822E-01 ppm1 0.637 ppm2 0.777 CV 1 OR { 962} ( segid " " and resid 100 and name HD1%) ( segid " " and resid 106 and name HG2%) OR { 962} ( segid " " and resid 100 and name HD1%) ( segid " " and resid 95 and name HD1%) ASSI { 963} ( segid " " and resid 100 and name HD1%) ( segid " " and resid 76 and name HG2%) 2.600 0.800 0.800 peak 963 spectrum 1 weight 0.10000E+01 volume 0.45618E-02 ppm1 0.637 ppm2 0.949 CV 1 OR { 963} ( segid " " and resid 100 and name HD1%) ( segid " " and resid 120 and name HD1%) OR { 963} ( segid " " and resid 100 and name HD1%) ( segid " " and resid 93 and name HD2%) ASSI { 965} ( segid " " and resid 100 and name HD1%) (( segid " " and resid 100 and name HG12)) 2.000 0.500 0.500 peak 965 spectrum 1 weight 0.10000E+01 volume 0.15737E-01 ppm1 0.637 ppm2 1.382 CV 1 OR { 965} ( segid " " and resid 100 and name HD1%) ( segid " " and resid 105 and name HG2%) ASSI { 966} ( segid " " and resid 100 and name HD1%) (( segid " " and resid 95 and name HB3 )) 3.100 1.200 1.200 peak 966 spectrum 1 weight 0.10000E+01 volume 0.23295E-02 ppm1 0.637 ppm2 1.595 CV 1 OR { 966} ( segid " " and resid 100 and name HD1%) (( segid " " and resid 125 and name HB )) ASSI { 971} ( segid " " and resid 100 and name HD1%) (( segid " " and resid 105 and name HA )) 4.500 2.600 1.500 peak 971 spectrum 1 weight 0.10000E+01 volume 0.12875E-02 ppm1 0.637 ppm2 4.013 CV 1 OR { 971} ( segid " " and resid 100 and name HD1%) (( segid " " and resid 103 and name HA )) ASSI { 990} (( segid " " and resid 101 and name HB2 )) ( segid " " and resid 100 and name HG2%) 4.700 2.700 1.300 peak 990 spectrum 1 weight 0.10000E+01 volume 0.76713E-03 ppm1 1.792 ppm2 0.745 CV 1 OR { 990} (( segid " " and resid 101 and name HB2 )) ( segid " " and resid 106 and name HG2%) ASSI { 991} (( segid " " and resid 101 and name HB3 )) ( segid " " and resid 100 and name HG2%) 4.200 2.300 1.800 peak 991 spectrum 1 weight 0.10000E+01 volume 0.89947E-03 ppm1 1.724 ppm2 0.745 CV 1 OR { 991} (( segid " " and resid 143 and name HB2 )) ( segid " " and resid 142 and name HG2%) OR { 991} (( segid " " and resid 101 and name HB3 )) ( segid " " and resid 106 and name HG2%) ASSI { 1002} (( segid " " and resid 102 and name HB2 )) (( segid " " and resid 101 and name HB3 )) 4.000 2.000 2.000 peak 1002 spectrum 1 weight 0.10000E+01 volume 0.10890E-02 ppm1 2.937 ppm2 1.713 CV 1 OR { 1002} (( segid " " and resid 102 and name HB2 )) (( segid " " and resid 103 and name HG )) OR { 1002} (( segid " " and resid 102 and name HB2 )) (( segid " " and resid 103 and name HB2 )) ASSI { 1003} (( segid " " and resid 102 and name HB2 )) (( segid " " and resid 101 and name HG3 )) 3.500 1.500 1.500 peak 1003 spectrum 1 weight 0.10000E+01 volume 0.84405E-03 ppm1 2.937 ppm2 1.348 CV 1 OR { 1003} (( segid " " and resid 102 and name HB2 )) (( segid " " and resid 101 and name HG2 )) OR { 1003} (( segid " " and resid 102 and name HB2 )) ( segid " " and resid 105 and name HG2%) ASSI { 1007} (( segid " " and resid 102 and name HB3 )) (( segid " " and resid 101 and name HG2 )) 3.600 1.600 1.600 peak 1007 spectrum 1 weight 0.10000E+01 volume 0.10252E-02 ppm1 2.766 ppm2 1.348 CV 1 OR { 1007} (( segid " " and resid 102 and name HB3 )) ( segid " " and resid 105 and name HG2%) ASSI { 1039} (( segid " " and resid 106 and name HB )) (( segid " " and resid 103 and name HA )) 4.300 2.300 1.700 peak 1039 spectrum 1 weight 0.10000E+01 volume 0.11063E-02 ppm1 2.144 ppm2 3.975 CV 1 OR { 1039} (( segid " " and resid 106 and name HB )) (( segid " " and resid 109 and name HA )) ASSI { 1040} (( segid " " and resid 106 and name HB )) (( segid " " and resid 109 and name HG )) 3.200 1.300 1.300 peak 1040 spectrum 1 weight 0.10000E+01 volume 0.11874E-02 ppm1 2.144 ppm2 1.726 CV 1 OR { 1040} (( segid " " and resid 106 and name HB )) (( segid " " and resid 80 and name HB2 )) ASSI { 1042} (( segid " " and resid 106 and name HB )) (( segid " " and resid 109 and name HB3 )) 4.800 2.800 1.200 peak 1042 spectrum 1 weight 0.10000E+01 volume 0.72900E-03 ppm1 2.144 ppm2 1.372 CV 1 OR { 1042} (( segid " " and resid 106 and name HB )) ( segid " " and resid 105 and name HG2%) ASSI { 1044} (( segid " " and resid 106 and name HB )) ( segid " " and resid 109 and name HD1%) 1.900 0.500 0.500 peak 1044 spectrum 1 weight 0.10000E+01 volume 0.17078E-01 ppm1 2.144 ppm2 0.781 CV 1 OR { 1044} (( segid " " and resid 106 and name HB )) ( segid " " and resid 106 and name HG2%) OR { 1044} (( segid " " and resid 106 and name HB )) ( segid " " and resid 106 and name HD1%) ASSI { 1045} (( segid " " and resid 106 and name HB )) ( segid " " and resid 139 and name HD1%) 3.400 1.400 1.400 peak 1045 spectrum 1 weight 0.10000E+01 volume 0.21918E-02 ppm1 2.144 ppm2 0.644 CV 1 OR { 1045} (( segid " " and resid 106 and name HB )) ( segid " " and resid 100 and name HD1%) ASSI { 1052} ( segid " " and resid 106 and name HG2%) (( segid " " and resid 106 and name HG13)) 2.800 1.000 1.000 peak 1052 spectrum 1 weight 0.10000E+01 volume 0.55323E-02 ppm1 0.777 ppm2 1.249 CV 1 OR { 1052} ( segid " " and resid 106 and name HG2%) (( segid " " and resid 100 and name HG13)) ASSI { 1054} ( segid " " and resid 106 and name HG2%) (( segid " " and resid 109 and name HG )) 3.600 1.700 1.700 peak 1054 spectrum 1 weight 0.10000E+01 volume 0.17012E-02 ppm1 0.777 ppm2 1.721 CV 1 OR { 1054} ( segid " " and resid 106 and name HG2%) (( segid " " and resid 80 and name HB2 )) ASSI { 1069} (( segid " " and resid 108 and name HB2 )) (( segid " " and resid 81 and name HA )) 3.100 1.200 1.200 peak 1069 spectrum 1 weight 0.10000E+01 volume 0.31342E-02 ppm1 2.393 ppm2 4.019 CV 1 OR { 1069} (( segid " " and resid 108 and name HB2 )) (( segid " " and resid 80 and name HA )) ASSI { 1070} (( segid " " and resid 108 and name HB2 )) (( segid " " and resid 108 and name HD2 )) 3.200 1.300 1.300 peak 1070 spectrum 1 weight 0.10000E+01 volume 0.10890E-02 ppm1 2.393 ppm2 3.834 CV 1 OR { 1070} (( segid " " and resid 143 and name HG2 )) (( segid " " and resid 142 and name HA )) ASSI { 1129} (( segid " " and resid 112 and name HB3 )) (( segid " " and resid 115 and name HN )) 3.600 1.600 1.600 peak 1129 spectrum 1 weight 0.10000E+01 volume 0.75466E-03 ppm1 1.766 ppm2 7.003 CV 1 OR { 1129} (( segid " " and resid 112 and name HB3 )) (( segid " " and resid 111 and name HN )) ASSI { 1130} (( segid " " and resid 112 and name HB2 )) (( segid " " and resid 115 and name HN )) 4.400 2.400 1.600 peak 1130 spectrum 1 weight 0.10000E+01 volume 0.54722E-03 ppm1 2.022 ppm2 7.003 CV 1 OR { 1130} (( segid " " and resid 112 and name HB2 )) (( segid " " and resid 111 and name HN )) ASSI { 1133} (( segid " " and resid 76 and name HG13)) ( segid " " and resid 76 and name HD1%) 1.800 0.400 0.400 peak 1133 spectrum 1 weight 0.10000E+01 volume 0.23199E-01 ppm1 0.947 ppm2 0.747 CV 1 OR { 1133} ( segid " " and resid 112 and name HD1%) ( segid " " and resid 109 and name HD2%) ASSI { 1158} (( segid " " and resid 9 and name HB2 )) (( segid " " and resid 9 and name HA )) 2.800 1.000 1.000 peak 1158 spectrum 1 weight 0.10000E+01 volume 0.19015E-02 ppm1 1.949 ppm2 4.130 CV 1 OR { 1158} (( segid " " and resid 115 and name HB2 )) (( segid " " and resid 115 and name HA )) ASSI { 1180} (( segid " " and resid 117 and name HA )) ( segid " " and resid 142 and name HG1%) 3.200 1.300 1.300 peak 1180 spectrum 1 weight 0.10000E+01 volume 0.29923E-02 ppm1 5.807 ppm2 0.731 CV 1 OR { 1180} (( segid " " and resid 117 and name HA )) ( segid " " and resid 142 and name HG2%) OR { 1180} (( segid " " and resid 117 and name HA )) ( segid " " and resid 145 and name HD2%) ASSI { 1195} (( segid " " and resid 119 and name HB2 )) (( segid " " and resid 94 and name HA )) 3.100 1.200 1.200 peak 1195 spectrum 1 weight 0.10000E+01 volume 0.20022E-02 ppm1 2.819 ppm2 5.404 CV 1 OR { 1195} (( segid " " and resid 119 and name HB2 )) (( segid " " and resid 118 and name HA )) ASSI { 1196} (( segid " " and resid 119 and name HB3 )) (( segid " " and resid 94 and name HA )) 2.900 1.100 1.100 peak 1196 spectrum 1 weight 0.10000E+01 volume 0.20481E-02 ppm1 2.665 ppm2 5.406 CV 1 OR { 1196} (( segid " " and resid 119 and name HB3 )) (( segid " " and resid 118 and name HA )) ASSI { 1242} (( segid " " and resid 125 and name HB )) (( segid " " and resid 127 and name HD21)) 4.400 2.400 1.600 peak 1242 spectrum 1 weight 0.10000E+01 volume 0.78743E-03 ppm1 1.622 ppm2 7.357 CV 1 OR { 1242} (( segid " " and resid 125 and name HB )) (( segid " " and resid 102 and name HN )) OR { 1242} (( segid " " and resid 125 and name HB )) (( segid " " and resid 134 and name HD21)) ASSI { 1243} (( segid " " and resid 125 and name HB )) (( segid " " and resid 128 and name HA )) 4.200 2.200 1.800 peak 1243 spectrum 1 weight 0.10000E+01 volume 0.17095E-02 ppm1 1.622 ppm2 4.217 CV 1 OR { 1243} (( segid " " and resid 125 and name HB )) (( segid " " and resid 124 and name HA )) OR { 1243} (( segid " " and resid 125 and name HB )) (( segid " " and resid 100 and name HA )) ASSI { 1258} (( segid " " and resid 127 and name HB2 )) (( segid " " and resid 127 and name HD21)) 2.700 0.900 0.900 peak 1258 spectrum 1 weight 0.10000E+01 volume 0.27813E-02 ppm1 2.926 ppm2 7.381 CV 1 OR { 1258} (( segid " " and resid 127 and name HB2 )) (( segid " " and resid 128 and name HN )) ASSI { 1260} (( segid " " and resid 127 and name HB3 )) (( segid " " and resid 127 and name HD21)) 3.100 1.200 1.200 peak 1260 spectrum 1 weight 0.10000E+01 volume 0.32796E-02 ppm1 2.748 ppm2 7.381 CV 1 OR { 1260} (( segid " " and resid 127 and name HB3 )) (( segid " " and resid 128 and name HN )) ASSI { 1264} (( segid " " and resid 66 and name HB2 )) (( segid " " and resid 66 and name HA )) 2.800 1.000 1.000 peak 1264 spectrum 1 weight 0.10000E+01 volume 0.26323E-02 ppm1 1.836 ppm2 4.183 CV 1 OR { 1264} (( segid " " and resid 128 and name HB2 )) (( segid " " and resid 128 and name HA )) ASSI { 1291} (( segid " " and resid 132 and name HA )) (( segid " " and resid 132 and name HN )) 2.700 0.900 0.900 peak 1291 spectrum 1 weight 0.10000E+01 volume 0.30841E-02 ppm1 2.754 ppm2 8.202 CV 1 OR { 1291} (( segid " " and resid 132 and name HA )) (( segid " " and resid 133 and name HN )) ASSI { 1307} (( segid " " and resid 107 and name HG3 )) (( segid " " and resid 107 and name HA )) 2.300 0.600 0.600 peak 1307 spectrum 1 weight 0.10000E+01 volume 0.95493E-02 ppm1 2.275 ppm2 3.980 CV 1 OR { 1307} (( segid " " and resid 133 and name HG2 )) (( segid " " and resid 133 and name HA )) OR { 1307} (( segid " " and resid 133 and name HG3 )) (( segid " " and resid 133 and name HA )) ASSI { 1432} (( segid " " and resid 150 and name HG2 )) (( segid " " and resid 150 and name HE )) 3.400 1.400 1.400 peak 1432 spectrum 1 weight 0.10000E+01 volume 0.64853E-03 ppm1 0.482 ppm2 7.113 CV 1 OR { 1432} (( segid " " and resid 150 and name HG2 )) ( segid " " and resid 136 and name HE% ) ASSI { 1434} (( segid " " and resid 150 and name HG3 )) (( segid " " and resid 150 and name HE )) 3.500 1.500 1.500 peak 1434 spectrum 1 weight 0.10000E+01 volume 0.83869E-03 ppm1 0.360 ppm2 7.112 CV 1 OR { 1434} (( segid " " and resid 150 and name HG3 )) ( segid " " and resid 136 and name HE% ) ASSI { 1446} (( segid " " and resid 150 and name HD2 )) (( segid " " and resid 150 and name HE )) 3.100 1.200 1.200 peak 1446 spectrum 1 weight 0.10000E+01 volume 0.18312E-02 ppm1 2.737 ppm2 7.088 CV 1 OR { 1446} (( segid " " and resid 150 and name HD2 )) ( segid " " and resid 136 and name HE% ) ASSI { 1502} (( segid " " and resid 156 and name HB3 )) (( segid " " and resid 156 and name HD2 )) 4.000 2.000 2.000 peak 1502 spectrum 1 weight 0.10000E+01 volume 0.16905E-02 ppm1 1.885 ppm2 3.640 CV 1 OR { 1502} (( segid " " and resid 7 and name HG12)) (( segid " " and resid 36 and name HA2 )) ASSI { 1517} (( segid " " and resid 156 and name HG2 )) (( segid " " and resid 156 and name HA )) 3.600 1.600 1.600 peak 1517 spectrum 1 weight 0.10000E+01 volume 0.26859E-02 ppm1 1.993 ppm2 4.388 CV 1 OR { 1517} (( segid " " and resid 140 and name HG2 )) (( segid " " and resid 140 and name HA )) ASSI { 1632} ( segid " " and resid 66 and name HD2%) (( segid " " and resid 47 and name HN )) 2.800 1.000 1.000 peak 1632 spectrum 1 weight 0.10000E+01 volume 0.41827E-02 ppm1 0.766 ppm2 7.941 CV 1 OR { 1632} ( segid " " and resid 44 and name HD2%) (( segid " " and resid 47 and name HN )) ASSI { 1825} (( segid " " and resid 3 and name HG2 )) ( segid " " and resid 24 and name HD1%) 3.600 1.600 1.600 peak 1825 spectrum 1 weight 0.10000E+01 volume 0.10443E-02 ppm1 2.827 ppm2 0.707 CV 1 OR { 1825} (( segid " " and resid 3 and name HG2 )) ( segid " " and resid 7 and name HD1%) OR { 1825} (( segid " " and resid 3 and name HG2 )) (( segid " " and resid 7 and name HG13)) OR { 1825} (( segid " " and resid 3 and name HG2 )) ( segid " " and resid 24 and name HD2%) OR { 1825} (( segid " " and resid 3 and name HG2 )) ( segid " " and resid 34 and name HG2%) ASSI { 1827} (( segid " " and resid 3 and name HG3 )) ( segid " " and resid 7 and name HD1%) 2.600 0.900 0.900 peak 1827 spectrum 1 weight 0.10000E+01 volume 0.50417E-02 ppm1 2.490 ppm2 0.707 CV 1 OR { 1827} (( segid " " and resid 3 and name HG3 )) ( segid " " and resid 24 and name HD1%) OR { 1827} (( segid " " and resid 3 and name HG3 )) (( segid " " and resid 7 and name HG13)) OR { 1827} (( segid " " and resid 3 and name HG3 )) ( segid " " and resid 34 and name HG2%) OR { 1827} (( segid " " and resid 3 and name HG3 )) ( segid " " and resid 24 and name HD2%) OR { 1827} (( segid " " and resid 70 and name HB2 )) ( segid " " and resid 50 and name HG2%) ASSI { 1830} (( segid " " and resid 1 and name HG2 )) (( segid " " and resid 5 and name HD2 )) 4.100 2.100 1.900 peak 1830 spectrum 1 weight 0.10000E+01 volume 0.11970E-02 ppm1 2.671 ppm2 1.697 CV 1 OR { 1830} (( segid " " and resid 1 and name HG2 )) (( segid " " and resid 6 and name HB3 )) OR { 1830} (( segid " " and resid 1 and name HG2 )) (( segid " " and resid 5 and name HD3 )) ASSI { 1831} (( segid " " and resid 1 and name HG3 )) (( segid " " and resid 5 and name HD2 )) 4.200 2.200 1.800 peak 1831 spectrum 1 weight 0.10000E+01 volume 0.15629E-02 ppm1 2.602 ppm2 1.696 CV 1 OR { 1831} (( segid " " and resid 1 and name HG3 )) (( segid " " and resid 5 and name HD3 )) OR { 1831} (( segid " " and resid 1 and name HG3 )) (( segid " " and resid 6 and name HB3 )) ASSI { 1852} (( segid " " and resid 2 and name HA )) (( segid " " and resid 28 and name HB2 )) 4.000 2.000 2.000 peak 1852 spectrum 1 weight 0.10000E+01 volume 0.82260E-03 ppm1 4.547 ppm2 1.715 CV 1 OR { 1852} (( segid " " and resid 2 and name HA )) (( segid " " and resid 6 and name HB3 )) OR { 1852} (( segid " " and resid 2 and name HA )) (( segid " " and resid 5 and name HD3 )) ASSI { 1853} (( segid " " and resid 2 and name HA )) (( segid " " and resid 28 and name HB3 )) 3.200 1.300 1.300 peak 1853 spectrum 1 weight 0.10000E+01 volume 0.16052E-02 ppm1 4.547 ppm2 1.589 CV 1 OR { 1853} (( segid " " and resid 2 and name HA )) (( segid " " and resid 5 and name HG2 )) ASSI { 1860} ( segid " " and resid 1 and name HE% ) (( segid " " and resid 6 and name HB3 )) 4.100 2.100 1.900 peak 1860 spectrum 1 weight 0.10000E+01 volume 0.17149E-02 ppm1 2.090 ppm2 1.655 CV 1 OR { 1860} ( segid " " and resid 1 and name HE% ) (( segid " " and resid 5 and name HG2 )) ASSI { 1861} ( segid " " and resid 1 and name HE% ) (( segid " " and resid 6 and name HB3 )) 3.900 1.900 1.900 peak 1861 spectrum 1 weight 0.10000E+01 volume 0.19128E-02 ppm1 2.090 ppm2 1.710 CV 1 OR { 1861} ( segid " " and resid 1 and name HE% ) (( segid " " and resid 5 and name HD2 )) OR { 1861} ( segid " " and resid 1 and name HE% ) (( segid " " and resid 5 and name HD3 )) ASSI { 1874} (( segid " " and resid 70 and name HG2 )) (( segid " " and resid 68 and name HB3 )) 3.800 1.800 1.800 peak 1874 spectrum 1 weight 0.10000E+01 volume 0.10658E-02 ppm1 2.568 ppm2 1.724 CV 1 OR { 1874} (( segid " " and resid 2 and name HG2 )) (( segid " " and resid 28 and name HB2 )) OR { 1874} (( segid " " and resid 2 and name HG2 )) (( segid " " and resid 5 and name HD3 )) OR { 1874} (( segid " " and resid 2 and name HG2 )) (( segid " " and resid 5 and name HD2 )) ASSI { 1875} (( segid " " and resid 2 and name HG2 )) (( segid " " and resid 5 and name HG2 )) 3.200 1.300 1.300 peak 1875 spectrum 1 weight 0.10000E+01 volume 0.20046E-02 ppm1 2.568 ppm2 1.609 CV 1 OR { 1875} (( segid " " and resid 2 and name HG2 )) (( segid " " and resid 28 and name HB3 )) OR { 1875} (( segid " " and resid 2 and name HG2 )) (( segid " " and resid 30 and name HG12)) ASSI { 1878} (( segid " " and resid 2 and name HG2 )) (( segid " " and resid 2 and name HG3 )) 1.500 0.300 0.700 peak 1878 spectrum 1 weight 0.10000E+01 volume 0.33291E-01 ppm1 2.568 ppm2 2.409 CV 1 OR { 1878} (( segid " " and resid 70 and name HG2 )) (( segid " " and resid 70 and name HG3 )) ASSI { 1884} (( segid " " and resid 70 and name HG3 )) (( segid " " and resid 70 and name HB3 )) 2.600 0.800 0.800 peak 1884 spectrum 1 weight 0.10000E+01 volume 0.62884E-02 ppm1 2.417 ppm2 2.097 CV 1 OR { 1884} (( segid " " and resid 2 and name HG3 )) (( segid " " and resid 2 and name HB3 )) ASSI { 1885} (( segid " " and resid 70 and name HG3 )) (( segid " " and resid 68 and name HB3 )) 3.900 1.900 1.900 peak 1885 spectrum 1 weight 0.10000E+01 volume 0.10252E-02 ppm1 2.417 ppm2 1.729 CV 1 OR { 1885} (( segid " " and resid 2 and name HG3 )) (( segid " " and resid 28 and name HB2 )) OR { 1885} (( segid " " and resid 2 and name HG3 )) (( segid " " and resid 5 and name HD3 )) OR { 1885} (( segid " " and resid 2 and name HG3 )) (( segid " " and resid 5 and name HD2 )) ASSI { 1886} (( segid " " and resid 2 and name HG3 )) (( segid " " and resid 5 and name HG2 )) 3.100 1.200 1.200 peak 1886 spectrum 1 weight 0.10000E+01 volume 0.18610E-02 ppm1 2.417 ppm2 1.615 CV 1 OR { 1886} (( segid " " and resid 2 and name HG3 )) (( segid " " and resid 30 and name HG12)) OR { 1886} (( segid " " and resid 2 and name HG3 )) (( segid " " and resid 28 and name HB3 )) ASSI { 1888} (( segid " " and resid 2 and name HG3 )) (( segid " " and resid 2 and name HA )) 3.100 1.200 1.200 peak 1888 spectrum 1 weight 0.10000E+01 volume 0.36248E-02 ppm1 2.417 ppm2 4.541 CV 1 OR { 1888} (( segid " " and resid 2 and name HG3 )) (( segid " " and resid 1 and name HA )) ASSI { 1892} ( segid " " and resid 3 and name HE% ) (( segid " " and resid 24 and name HB2 )) 3.300 1.300 1.300 peak 1892 spectrum 1 weight 0.10000E+01 volume 0.21429E-02 ppm1 1.922 ppm2 1.663 CV 1 OR { 1892} ( segid " " and resid 3 and name HE% ) (( segid " " and resid 34 and name HG13)) OR { 1892} ( segid " " and resid 3 and name HE% ) (( segid " " and resid 24 and name HB3 )) OR { 1892} ( segid " " and resid 3 and name HE% ) (( segid " " and resid 34 and name HG12)) ASSI { 1893} ( segid " " and resid 3 and name HE% ) ( segid " " and resid 52 and name HG1%) 2.300 0.600 0.600 peak 1893 spectrum 1 weight 0.10000E+01 volume 0.16732E-01 ppm1 1.922 ppm2 0.721 CV 1 OR { 1893} ( segid " " and resid 3 and name HE% ) ( segid " " and resid 34 and name HG2%) OR { 1893} ( segid " " and resid 3 and name HE% ) ( segid " " and resid 54 and name HD1%) OR { 1893} ( segid " " and resid 3 and name HE% ) ( segid " " and resid 24 and name HD1%) OR { 1893} ( segid " " and resid 3 and name HE% ) ( segid " " and resid 34 and name HD1%) ASSI { 1899} ( segid " " and resid 3 and name HE% ) (( segid " " and resid 49 and name HB )) 3.600 1.600 1.600 peak 1899 spectrum 1 weight 0.10000E+01 volume 0.10902E-02 ppm1 1.922 ppm2 4.070 CV 1 OR { 1899} ( segid " " and resid 3 and name HE% ) (( segid " " and resid 54 and name HA )) ASSI { 1900} ( segid " " and resid 3 and name HE% ) (( segid " " and resid 29 and name HA )) 3.800 1.800 1.800 peak 1900 spectrum 1 weight 0.10000E+01 volume 0.74388E-03 ppm1 1.922 ppm2 4.450 CV 1 OR { 1900} ( segid " " and resid 3 and name HE% ) (( segid " " and resid 24 and name HA )) ASSI { 1901} ( segid " " and resid 3 and name HE% ) (( segid " " and resid 3 and name HN )) 4.300 2.400 1.700 peak 1901 spectrum 1 weight 0.10000E+01 volume 0.83688E-03 ppm1 1.922 ppm2 8.454 CV 1 OR { 1901} ( segid " " and resid 3 and name HE% ) (( segid " " and resid 29 and name HN )) ASSI { 1916} (( segid " " and resid 110 and name HG3 )) (( segid " " and resid 110 and name HB2 )) 2.000 0.500 0.500 peak 1916 spectrum 1 weight 0.10000E+01 volume 0.90603E-02 ppm1 1.525 ppm2 1.985 CV 1 OR { 1916} (( segid " " and resid 5 and name HG3 )) (( segid " " and resid 5 and name HB2 )) OR { 1916} (( segid " " and resid 5 and name HG3 )) (( segid " " and resid 5 and name HB3 )) ASSI { 1917} (( segid " " and resid 5 and name HD3 )) (( segid " " and resid 5 and name HA )) 2.700 0.900 0.900 peak 1917 spectrum 1 weight 0.10000E+01 volume 0.30919E-02 ppm1 1.728 ppm2 4.148 CV 1 OR { 1917} (( segid " " and resid 5 and name HD2 )) (( segid " " and resid 5 and name HA )) OR { 1917} (( segid " " and resid 111 and name HD3 )) (( segid " " and resid 111 and name HA )) ASSI { 1920} (( segid " " and resid 6 and name HB2 )) ( segid " " and resid 24 and name HD1%) 3.800 1.800 1.800 peak 1920 spectrum 1 weight 0.10000E+01 volume 0.88995E-03 ppm1 2.248 ppm2 0.691 CV 1 OR { 1920} (( segid " " and resid 6 and name HB2 )) ( segid " " and resid 24 and name HD2%) OR { 1920} (( segid " " and resid 6 and name HB2 )) (( segid " " and resid 7 and name HG13)) ASSI { 1925} (( segid " " and resid 5 and name HB3 )) (( segid " " and resid 1 and name HG3 )) 3.700 1.700 1.700 peak 1925 spectrum 1 weight 0.10000E+01 volume 0.15057E-02 ppm1 1.989 ppm2 2.598 CV 1 OR { 1925} (( segid " " and resid 5 and name HB2 )) (( segid " " and resid 1 and name HG3 )) OR { 1925} (( segid " " and resid 5 and name HB2 )) (( segid " " and resid 2 and name HG2 )) OR { 1925} (( segid " " and resid 5 and name HB3 )) (( segid " " and resid 2 and name HG2 )) ASSI { 1927} (( segid " " and resid 110 and name HG3 )) ( segid " " and resid 139 and name HD2%) 4.200 2.200 1.800 peak 1927 spectrum 1 weight 0.10000E+01 volume 0.20153E-02 ppm1 1.525 ppm2 0.719 CV 1 OR { 1927} (( segid " " and resid 110 and name HG3 )) ( segid " " and resid 109 and name HD2%) ASSI { 1928} (( segid " " and resid 6 and name HB3 )) ( segid " " and resid 24 and name HD2%) 3.000 1.100 1.100 peak 1928 spectrum 1 weight 0.10000E+01 volume 0.17883E-02 ppm1 1.682 ppm2 0.703 CV 1 OR { 1928} (( segid " " and resid 6 and name HB3 )) ( segid " " and resid 24 and name HD1%) OR { 1928} (( segid " " and resid 6 and name HB3 )) (( segid " " and resid 7 and name HG13)) ASSI { 1934} (( segid " " and resid 6 and name HG2 )) ( segid " " and resid 24 and name HD2%) 4.000 2.000 2.000 peak 1934 spectrum 1 weight 0.10000E+01 volume 0.11659E-02 ppm1 1.900 ppm2 0.703 CV 1 OR { 1934} (( segid " " and resid 6 and name HG2 )) ( segid " " and resid 24 and name HD1%) OR { 1934} (( segid " " and resid 6 and name HG2 )) (( segid " " and resid 7 and name HG13)) OR { 1934} (( segid " " and resid 141 and name HB3 )) ( segid " " and resid 142 and name HG2%) ASSI { 1935} (( segid " " and resid 6 and name HG3 )) ( segid " " and resid 24 and name HD2%) 3.200 1.300 1.300 peak 1935 spectrum 1 weight 0.10000E+01 volume 0.16208E-02 ppm1 1.514 ppm2 0.703 CV 1 OR { 1935} (( segid " " and resid 6 and name HG3 )) ( segid " " and resid 24 and name HD1%) OR { 1935} (( segid " " and resid 6 and name HG3 )) (( segid " " and resid 7 and name HG13)) ASSI { 1940} (( segid " " and resid 7 and name HA )) ( segid " " and resid 22 and name HD2%) 2.600 0.800 0.800 peak 1940 spectrum 1 weight 0.10000E+01 volume 0.76834E-02 ppm1 3.424 ppm2 0.703 CV 1 OR { 1940} (( segid " " and resid 7 and name HA )) (( segid " " and resid 7 and name HG13)) OR { 1940} (( segid " " and resid 7 and name HA )) ( segid " " and resid 24 and name HD2%) OR { 1940} (( segid " " and resid 7 and name HA )) ( segid " " and resid 7 and name HD1%) OR { 1940} (( segid " " and resid 7 and name HA )) ( segid " " and resid 24 and name HD1%) ASSI { 1948} (( segid " " and resid 6 and name HD3 )) ( segid " " and resid 24 and name HD2%) 4.600 2.600 1.400 peak 1948 spectrum 1 weight 0.10000E+01 volume 0.71172E-03 ppm1 3.267 ppm2 0.703 CV 1 OR { 1948} (( segid " " and resid 6 and name HD3 )) ( segid " " and resid 24 and name HD1%) OR { 1948} (( segid " " and resid 6 and name HD3 )) (( segid " " and resid 7 and name HG13)) ASSI { 1950} (( segid " " and resid 6 and name HD2 )) ( segid " " and resid 24 and name HD2%) 4.500 2.500 1.500 peak 1950 spectrum 1 weight 0.10000E+01 volume 0.54246E-03 ppm1 3.451 ppm2 0.703 CV 1 OR { 1950} (( segid " " and resid 6 and name HD2 )) ( segid " " and resid 24 and name HD1%) OR { 1950} (( segid " " and resid 6 and name HD2 )) (( segid " " and resid 7 and name HG13)) ASSI { 1967} (( segid " " and resid 7 and name HB )) (( segid " " and resid 7 and name HG13)) 2.300 0.700 0.700 peak 1967 spectrum 1 weight 0.10000E+01 volume 0.72900E-02 ppm1 1.890 ppm2 0.698 CV 1 OR { 1967} (( segid " " and resid 7 and name HB )) ( segid " " and resid 7 and name HD1%) OR { 1967} (( segid " " and resid 7 and name HB )) ( segid " " and resid 24 and name HD1%) ASSI { 1970} (( segid " " and resid 7 and name HB )) (( segid " " and resid 4 and name HA )) 2.900 1.100 1.100 peak 1970 spectrum 1 weight 0.10000E+01 volume 0.22377E-02 ppm1 1.890 ppm2 4.158 CV 1 OR { 1970} (( segid " " and resid 7 and name HB )) (( segid " " and resid 5 and name HA )) ASSI { 1974} ( segid " " and resid 7 and name HG2%) ( segid " " and resid 7 and name HD1%) 1.900 0.400 0.400 peak 1974 spectrum 1 weight 0.10000E+01 volume 0.28826E-01 ppm1 0.905 ppm2 0.702 CV 1 OR { 1974} ( segid " " and resid 7 and name HG2%) ( segid " " and resid 22 and name HD2%) OR { 1974} ( segid " " and resid 7 and name HG2%) (( segid " " and resid 7 and name HG13)) ASSI { 1976} ( segid " " and resid 7 and name HG2%) (( segid " " and resid 7 and name HB )) 1.900 0.500 0.500 peak 1976 spectrum 1 weight 0.10000E+01 volume 0.16297E-01 ppm1 0.905 ppm2 1.904 CV 1 OR { 1976} ( segid " " and resid 7 and name HG2%) (( segid " " and resid 7 and name HG12)) OR { 1976} ( segid " " and resid 7 and name HG2%) (( segid " " and resid 11 and name HG )) ASSI { 1977} ( segid " " and resid 7 and name HG2%) (( segid " " and resid 10 and name HG2 )) 4.500 2.600 1.500 peak 1977 spectrum 1 weight 0.10000E+01 volume 0.75346E-03 ppm1 0.905 ppm2 2.491 CV 1 OR { 1977} ( segid " " and resid 7 and name HG2%) (( segid " " and resid 3 and name HG3 )) ASSI { 1980} ( segid " " and resid 7 and name HG2%) (( segid " " and resid 8 and name HA )) 3.100 1.200 1.200 peak 1980 spectrum 1 weight 0.10000E+01 volume 0.31759E-02 ppm1 0.905 ppm2 4.197 CV 1 OR { 1980} ( segid " " and resid 7 and name HG2%) (( segid " " and resid 36 and name HA1 )) ASSI { 1996} ( segid " " and resid 7 and name HD1%) (( segid " " and resid 24 and name HB2 )) 4.500 2.600 1.500 peak 1996 spectrum 1 weight 0.10000E+01 volume 0.96982E-03 ppm1 0.694 ppm2 1.657 CV 1 OR { 1996} ( segid " " and resid 7 and name HD1%) (( segid " " and resid 6 and name HB3 )) OR { 1996} ( segid " " and resid 7 and name HD1%) (( segid " " and resid 24 and name HB3 )) OR { 1996} ( segid " " and resid 7 and name HD1%) (( segid " " and resid 34 and name HB )) ASSI { 1998} ( segid " " and resid 7 and name HD1%) (( segid " " and resid 3 and name HG3 )) 3.200 1.200 1.200 peak 1998 spectrum 1 weight 0.10000E+01 volume 0.21048E-02 ppm1 0.694 ppm2 2.489 CV 1 OR { 1998} ( segid " " and resid 7 and name HD1%) (( segid " " and resid 4 and name HB3 )) ASSI { 2010} (( segid " " and resid 8 and name HA )) ( segid " " and resid 11 and name HD1%) 2.700 0.900 0.900 peak 2010 spectrum 1 weight 0.10000E+01 volume 0.39335E-02 ppm1 4.216 ppm2 0.943 CV 1 OR { 2010} (( segid " " and resid 8 and name HA )) ( segid " " and resid 7 and name HG2%) ASSI { 2011} (( segid " " and resid 8 and name HA )) (( segid " " and resid 11 and name HB2 )) 2.600 0.800 0.800 peak 2011 spectrum 1 weight 0.10000E+01 volume 0.21697E-02 ppm1 4.216 ppm2 1.853 CV 1 OR { 2011} (( segid " " and resid 8 and name HA )) (( segid " " and resid 7 and name HB )) ASSI { 2016} (( segid " " and resid 8 and name HB2 )) (( segid " " and resid 7 and name HB )) 4.100 2.100 1.900 peak 2016 spectrum 1 weight 0.10000E+01 volume 0.12929E-02 ppm1 3.239 ppm2 1.887 CV 1 OR { 2016} (( segid " " and resid 8 and name HB2 )) (( segid " " and resid 11 and name HB2 )) OR { 2016} (( segid " " and resid 8 and name HB3 )) (( segid " " and resid 7 and name HB )) OR { 2016} (( segid " " and resid 8 and name HB3 )) (( segid " " and resid 11 and name HB2 )) ASSI { 2017} (( segid " " and resid 8 and name HB2 )) ( segid " " and resid 11 and name HD1%) 4.300 2.300 1.700 peak 2017 spectrum 1 weight 0.10000E+01 volume 0.93584E-03 ppm1 3.239 ppm2 0.936 CV 1 OR { 2017} (( segid " " and resid 8 and name HB2 )) ( segid " " and resid 7 and name HG2%) OR { 2017} (( segid " " and resid 8 and name HB3 )) ( segid " " and resid 11 and name HD1%) OR { 2017} (( segid " " and resid 8 and name HB3 )) ( segid " " and resid 7 and name HG2%) ASSI { 2035} ( segid " " and resid 9 and name HD1%) (( segid " " and resid 12 and name HD2 )) 3.500 1.500 1.500 peak 2035 spectrum 1 weight 0.10000E+01 volume 0.12184E-02 ppm1 0.984 ppm2 3.247 CV 1 OR { 2035} ( segid " " and resid 11 and name HD1%) (( segid " " and resid 8 and name HB2 )) ASSI { 2037} ( segid " " and resid 9 and name HD1%) (( segid " " and resid 6 and name HA )) 4.100 2.100 1.900 peak 2037 spectrum 1 weight 0.10000E+01 volume 0.22728E-02 ppm1 0.984 ppm2 4.276 CV 1 OR { 2037} ( segid " " and resid 11 and name HD1%) (( segid " " and resid 15 and name HB )) ASSI { 2038} ( segid " " and resid 11 and name HD1%) (( segid " " and resid 11 and name HG )) 2.300 0.700 0.700 peak 2038 spectrum 1 weight 0.10000E+01 volume 0.65329E-02 ppm1 0.983 ppm2 1.940 CV 1 OR { 2038} ( segid " " and resid 9 and name HD1%) (( segid " " and resid 9 and name HB2 )) ASSI { 2044} ( segid " " and resid 9 and name HD2%) (( segid " " and resid 9 and name HB2 )) 2.700 0.900 0.900 peak 2044 spectrum 1 weight 0.10000E+01 volume 0.42530E-02 ppm1 0.948 ppm2 1.942 CV 1 OR { 2044} ( segid " " and resid 63 and name HD2%) (( segid " " and resid 44 and name HB2 )) ASSI { 2045} ( segid " " and resid 9 and name HD2%) ( segid " " and resid 1 and name HE% ) 2.800 1.000 1.000 peak 2045 spectrum 1 weight 0.10000E+01 volume 0.33214E-02 ppm1 0.948 ppm2 2.091 CV 1 OR { 2045} ( segid " " and resid 63 and name HD2%) (( segid " " and resid 61 and name HB2 )) ASSI { 2051} ( segid " " and resid 9 and name HD2%) ( segid " " and resid 8 and name HD% ) 3.500 1.600 1.600 peak 2051 spectrum 1 weight 0.10000E+01 volume 0.21483E-02 ppm1 0.949 ppm2 7.163 CV 1 OR { 2051} ( segid " " and resid 138 and name HD2%) (( segid " " and resid 112 and name HN )) OR { 2051} ( segid " " and resid 63 and name HD2%) (( segid " " and resid 90 and name HN )) ASSI { 2060} (( segid " " and resid 10 and name HB3 )) (( segid " " and resid 11 and name HN )) 3.100 1.200 1.200 peak 2060 spectrum 1 weight 0.10000E+01 volume 0.21620E-02 ppm1 2.018 ppm2 8.162 CV 1 OR { 2060} (( segid " " and resid 124 and name HB3 )) (( segid " " and resid 125 and name HN )) OR { 2060} (( segid " " and resid 124 and name HB2 )) (( segid " " and resid 125 and name HN )) ASSI { 2091} (( segid " " and resid 10 and name HG2 )) ( segid " " and resid 9 and name HD2%) 4.300 2.300 1.700 peak 2091 spectrum 1 weight 0.10000E+01 volume 0.59286E-03 ppm1 2.486 ppm2 0.975 CV 1 OR { 2091} (( segid " " and resid 10 and name HG2 )) ( segid " " and resid 9 and name HD1%) OR { 2091} (( segid " " and resid 10 and name HG2 )) ( segid " " and resid 11 and name HD1%) ASSI { 2099} ( segid " " and resid 11 and name HD1%) (( segid " " and resid 16 and name HA )) 3.600 1.600 1.600 peak 2099 spectrum 1 weight 0.10000E+01 volume 0.21483E-02 ppm1 0.959 ppm2 3.451 CV 1 OR { 2099} ( segid " " and resid 11 and name HD1%) (( segid " " and resid 7 and name HA )) ASSI { 2100} ( segid " " and resid 11 and name HD1%) (( segid " " and resid 14 and name HN )) 4.700 2.700 1.300 peak 2100 spectrum 1 weight 0.10000E+01 volume 0.83869E-03 ppm1 0.959 ppm2 7.738 CV 1 OR { 2100} ( segid " " and resid 9 and name HD1%) (( segid " " and resid 14 and name HN )) OR { 2100} ( segid " " and resid 11 and name HD1%) (( segid " " and resid 42 and name HN )) ASSI { 2103} ( segid " " and resid 9 and name HD1%) (( segid " " and resid 12 and name HN )) 4.000 2.000 2.000 peak 2103 spectrum 1 weight 0.10000E+01 volume 0.86549E-03 ppm1 0.959 ppm2 7.465 CV 1 OR { 2103} ( segid " " and resid 11 and name HD1%) ( segid " " and resid 41 and name HD% ) ASSI { 2104} ( segid " " and resid 9 and name HD1%) ( segid " " and resid 8 and name HE% ) 4.200 2.200 1.800 peak 2104 spectrum 1 weight 0.10000E+01 volume 0.61040E-03 ppm1 0.959 ppm2 6.865 CV 1 OR { 2104} ( segid " " and resid 11 and name HD1%) (( segid " " and resid 38 and name HN )) ASSI { 2107} ( segid " " and resid 11 and name HD2%) (( segid " " and resid 11 and name HB3 )) 2.400 0.700 0.700 peak 2107 spectrum 1 weight 0.10000E+01 volume 0.72184E-02 ppm1 0.801 ppm2 1.698 CV 1 OR { 2107} ( segid " " and resid 11 and name HD2%) (( segid " " and resid 14 and name HG3 )) ASSI { 2112} ( segid " " and resid 11 and name HD2%) (( segid " " and resid 16 and name HD2 )) 4.100 2.100 1.900 peak 2112 spectrum 1 weight 0.10000E+01 volume 0.16088E-02 ppm1 0.801 ppm2 3.829 CV 1 OR { 2112} ( segid " " and resid 11 and name HD2%) (( segid " " and resid 19 and name HA )) ASSI { 2114} ( segid " " and resid 11 and name HD2%) (( segid " " and resid 8 and name HA )) 3.200 1.300 1.300 peak 2114 spectrum 1 weight 0.10000E+01 volume 0.12452E-02 ppm1 0.801 ppm2 4.210 CV 1 OR { 2114} ( segid " " and resid 11 and name HD2%) (( segid " " and resid 36 and name HA1 )) OR { 2114} ( segid " " and resid 11 and name HD2%) (( segid " " and resid 40 and name HA )) ASSI { 2115} ( segid " " and resid 11 and name HD2%) (( segid " " and resid 41 and name HZ )) 3.000 1.100 1.100 peak 2115 spectrum 1 weight 0.10000E+01 volume 0.40581E-02 ppm1 0.801 ppm2 7.237 CV 1 OR { 2115} ( segid " " and resid 11 and name HD2%) (( segid " " and resid 19 and name HN )) ASSI { 2117} ( segid " " and resid 11 and name HD2%) ( segid " " and resid 41 and name HD% ) 4.000 2.000 2.000 peak 2117 spectrum 1 weight 0.10000E+01 volume 0.13734E-02 ppm1 0.801 ppm2 7.460 CV 1 OR { 2117} ( segid " " and resid 11 and name HD2%) (( segid " " and resid 12 and name HN )) ASSI { 2121} (( segid " " and resid 12 and name HB2 )) (( segid " " and resid 9 and name HA )) 3.700 1.700 1.700 peak 2121 spectrum 1 weight 0.10000E+01 volume 0.79755E-03 ppm1 1.853 ppm2 4.106 CV 1 OR { 2121} (( segid " " and resid 12 and name HB3 )) (( segid " " and resid 9 and name HA )) OR { 2121} (( segid " " and resid 12 and name HB3 )) (( segid " " and resid 10 and name HA )) ASSI { 2127} (( segid " " and resid 13 and name HA )) (( segid " " and resid 12 and name HA )) 3.400 1.400 1.400 peak 2127 spectrum 1 weight 0.10000E+01 volume 0.19015E-02 ppm1 4.410 ppm2 3.966 CV 1 OR { 2127} (( segid " " and resid 13 and name HA )) (( segid " " and resid 11 and name HA )) ASSI { 2131} (( segid " " and resid 12 and name HG2 )) (( segid " " and resid 9 and name HA )) 3.300 1.300 1.300 peak 2131 spectrum 1 weight 0.10000E+01 volume 0.11200E-02 ppm1 1.776 ppm2 4.099 CV 1 OR { 2131} (( segid " " and resid 12 and name HG2 )) (( segid " " and resid 10 and name HA )) ASSI { 2135} (( segid " " and resid 12 and name HG3 )) (( segid " " and resid 9 and name HA )) 3.400 1.500 1.500 peak 2135 spectrum 1 weight 0.10000E+01 volume 0.12339E-02 ppm1 1.645 ppm2 4.101 CV 1 OR { 2135} (( segid " " and resid 12 and name HG3 )) (( segid " " and resid 10 and name HA )) ASSI { 2162} (( segid " " and resid 13 and name HB3 )) (( segid " " and resid 13 and name HD21)) 3.000 1.200 1.200 peak 2162 spectrum 1 weight 0.10000E+01 volume 0.18151E-02 ppm1 2.935 ppm2 7.571 CV 1 OR { 2162} (( segid " " and resid 136 and name HB2 )) (( segid " " and resid 137 and name HN )) ASSI { 2175} (( segid " " and resid 14 and name HD2 )) (( segid " " and resid 18 and name HA )) 3.700 3.700 2.300 peak 2175 spectrum 1 weight 0.10000E+01 volume 0.13698E-02 ppm1 3.313 ppm2 4.753 CV 1 OR { 2175} (( segid " " and resid 14 and name HD2 )) (( segid " " and resid 15 and name HA )) ASSI { 2177} (( segid " " and resid 14 and name HD3 )) (( segid " " and resid 18 and name HA )) 4.000 2.000 2.000 peak 2177 spectrum 1 weight 0.10000E+01 volume 0.14789E-02 ppm1 3.110 ppm2 4.747 CV 1 OR { 2177} (( segid " " and resid 14 and name HD3 )) (( segid " " and resid 15 and name HA )) ASSI { 2186} (( segid " " and resid 14 and name HB2 )) (( segid " " and resid 14 and name HE )) 4.200 2.200 1.800 peak 2186 spectrum 1 weight 0.10000E+01 volume 0.63601E-03 ppm1 1.952 ppm2 7.067 CV 1 OR { 2186} (( segid " " and resid 88 and name HB3 )) (( segid " " and resid 89 and name HD22)) ASSI { 2198} (( segid " " and resid 14 and name HG3 )) (( segid " " and resid 15 and name HA )) 3.800 1.800 1.800 peak 2198 spectrum 1 weight 0.10000E+01 volume 0.11105E-02 ppm1 1.727 ppm2 4.732 CV 1 OR { 2198} (( segid " " and resid 14 and name HG3 )) (( segid " " and resid 18 and name HA )) ASSI { 2206} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 11 and name HA )) 4.600 2.700 1.400 peak 2206 spectrum 1 weight 0.10000E+01 volume 0.54922E-03 ppm1 1.222 ppm2 3.983 CV 1 OR { 2206} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 17 and name HB2 )) OR { 2206} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 17 and name HB3 )) ASSI { 2216} (( segid " " and resid 16 and name HA )) (( segid " " and resid 16 and name HD2 )) 4.100 2.100 1.900 peak 2216 spectrum 1 weight 0.10000E+01 volume 0.77194E-03 ppm1 3.455 ppm2 3.821 CV 1 OR { 2216} (( segid " " and resid 16 and name HA )) (( segid " " and resid 19 and name HA )) ASSI { 2217} (( segid " " and resid 16 and name HA )) (( segid " " and resid 15 and name HA )) 4.100 2.100 1.900 peak 2217 spectrum 1 weight 0.10000E+01 volume 0.78146E-03 ppm1 3.455 ppm2 4.733 CV 1 OR { 2217} (( segid " " and resid 16 and name HA )) (( segid " " and resid 18 and name HA )) ASSI { 2220} (( segid " " and resid 16 and name HA )) (( segid " " and resid 17 and name HN )) 3.600 1.600 1.600 peak 2220 spectrum 1 weight 0.10000E+01 volume 0.91024E-03 ppm1 3.455 ppm2 7.829 CV 1 OR { 2220} (( segid " " and resid 16 and name HA )) (( segid " " and resid 18 and name HN )) ASSI { 2222} (( segid " " and resid 16 and name HB2 )) ( segid " " and resid 19 and name HG2%) 4.900 3.000 1.100 peak 2222 spectrum 1 weight 0.10000E+01 volume 0.82200E-03 ppm1 1.088 ppm2 0.961 CV 1 OR { 2222} (( segid " " and resid 16 and name HB2 )) ( segid " " and resid 11 and name HD1%) ASSI { 2227} (( segid " " and resid 16 and name HB2 )) (( segid " " and resid 40 and name HG3 )) 4.800 2.900 1.200 peak 2227 spectrum 1 weight 0.10000E+01 volume 0.63601E-03 ppm1 1.088 ppm2 2.263 CV 1 OR { 2227} (( segid " " and resid 16 and name HB2 )) (( segid " " and resid 19 and name HB )) ASSI { 2242} (( segid " " and resid 16 and name HB3 )) (( segid " " and resid 41 and name HA )) 3.400 1.400 1.400 peak 2242 spectrum 1 weight 0.10000E+01 volume 0.69919E-03 ppm1 0.347 ppm2 4.322 CV 1 OR { 2242} (( segid " " and resid 16 and name HB3 )) (( segid " " and resid 15 and name HB )) ASSI { 2244} (( segid " " and resid 16 and name HG2 )) ( segid " " and resid 11 and name HD1%) 3.700 1.700 1.700 peak 2244 spectrum 1 weight 0.10000E+01 volume 0.26818E-02 ppm1 1.844 ppm2 0.964 CV 1 OR { 2244} (( segid " " and resid 16 and name HG2 )) ( segid " " and resid 19 and name HG2%) ASSI { 2251} (( segid " " and resid 88 and name HG3 )) (( segid " " and resid 64 and name HA )) 4.000 2.000 2.000 peak 2251 spectrum 1 weight 0.10000E+01 volume 0.14115E-02 ppm1 1.844 ppm2 4.287 CV 1 OR { 2251} (( segid " " and resid 16 and name HG2 )) (( segid " " and resid 15 and name HB )) ASSI { 2252} (( segid " " and resid 88 and name HG3 )) (( segid " " and resid 88 and name HD2 )) 3.100 1.200 1.200 peak 2252 spectrum 1 weight 0.10000E+01 volume 0.23676E-02 ppm1 1.844 ppm2 3.444 CV 1 OR { 2252} (( segid " " and resid 16 and name HG2 )) (( segid " " and resid 16 and name HA )) ASSI { 2266} (( segid " " and resid 16 and name HD3 )) ( segid " " and resid 11 and name HD1%) 3.500 1.500 1.500 peak 2266 spectrum 1 weight 0.10000E+01 volume 0.74689E-03 ppm1 3.710 ppm2 0.964 CV 1 OR { 2266} (( segid " " and resid 16 and name HD3 )) ( segid " " and resid 19 and name HG2%) ASSI { 2273} (( segid " " and resid 16 and name HD2 )) ( segid " " and resid 11 and name HD1%) 4.400 2.400 1.600 peak 2273 spectrum 1 weight 0.10000E+01 volume 0.10306E-02 ppm1 3.829 ppm2 0.966 CV 1 OR { 2273} (( segid " " and resid 16 and name HD2 )) ( segid " " and resid 19 and name HG2%) ASSI { 2275} (( segid " " and resid 108 and name HD2 )) ( segid " " and resid 80 and name HD1%) 3.500 1.500 1.500 peak 2275 spectrum 1 weight 0.10000E+01 volume 0.15379E-02 ppm1 3.828 ppm2 0.795 CV 1 OR { 2275} (( segid " " and resid 16 and name HD2 )) ( segid " " and resid 11 and name HD2%) OR { 2275} (( segid " " and resid 108 and name HD2 )) ( segid " " and resid 106 and name HG2%) ASSI { 2277} (( segid " " and resid 108 and name HD2 )) (( segid " " and resid 80 and name HB2 )) 3.700 1.700 1.700 peak 2277 spectrum 1 weight 0.10000E+01 volume 0.81188E-03 ppm1 3.828 ppm2 1.729 CV 1 OR { 2277} (( segid " " and resid 108 and name HD2 )) (( segid " " and resid 109 and name HG )) OR { 2277} (( segid " " and resid 16 and name HD2 )) (( segid " " and resid 11 and name HB3 )) ASSI { 2280} (( segid " " and resid 108 and name HD2 )) (( segid " " and resid 108 and name HB2 )) 3.200 1.300 1.300 peak 2280 spectrum 1 weight 0.10000E+01 volume 0.13639E-02 ppm1 3.828 ppm2 2.413 CV 1 OR { 2280} (( segid " " and resid 108 and name HD2 )) (( segid " " and resid 107 and name HG2 )) ASSI { 2284} (( segid " " and resid 17 and name HA )) (( segid " " and resid 18 and name HA )) 3.600 1.600 1.600 peak 2284 spectrum 1 weight 0.10000E+01 volume 0.16011E-02 ppm1 4.105 ppm2 4.745 CV 1 OR { 2284} (( segid " " and resid 17 and name HA )) (( segid " " and resid 15 and name HA )) ASSI { 2288} (( segid " " and resid 17 and name HA )) (( segid " " and resid 42 and name HG3 )) 3.800 1.800 1.800 peak 2288 spectrum 1 weight 0.10000E+01 volume 0.74985E-03 ppm1 4.105 ppm2 2.262 CV 1 OR { 2288} (( segid " " and resid 17 and name HA )) (( segid " " and resid 19 and name HB )) ASSI { 2303} (( segid " " and resid 19 and name HB )) ( segid " " and resid 11 and name HD2%) 3.700 1.700 1.700 peak 2303 spectrum 1 weight 0.10000E+01 volume 0.17471E-02 ppm1 2.301 ppm2 0.778 CV 1 OR { 2303} (( segid " " and resid 19 and name HB )) ( segid " " and resid 44 and name HD2%) ASSI { 2307} (( segid " " and resid 19 and name HB )) (( segid " " and resid 18 and name HA )) 4.400 2.500 1.600 peak 2307 spectrum 1 weight 0.10000E+01 volume 0.92632E-03 ppm1 2.301 ppm2 4.746 CV 1 OR { 2307} (( segid " " and resid 19 and name HB )) (( segid " " and resid 15 and name HA )) ASSI { 2311} (( segid " " and resid 19 and name HB )) (( segid " " and resid 21 and name HN )) 4.700 2.700 1.300 peak 2311 spectrum 1 weight 0.10000E+01 volume 0.54722E-03 ppm1 2.301 ppm2 7.740 CV 1 OR { 2311} (( segid " " and resid 19 and name HB )) (( segid " " and resid 42 and name HN )) ASSI { 2312} (( segid " " and resid 19 and name HB )) (( segid " " and resid 18 and name HN )) 4.600 2.600 1.400 peak 2312 spectrum 1 weight 0.10000E+01 volume 0.55734E-03 ppm1 2.301 ppm2 7.849 CV 1 OR { 2312} (( segid " " and resid 19 and name HB )) (( segid " " and resid 17 and name HN )) ASSI { 2314} ( segid " " and resid 19 and name HG1%) ( segid " " and resid 11 and name HD2%) 2.500 0.800 0.800 peak 2314 spectrum 1 weight 0.10000E+01 volume 0.11939E-01 ppm1 0.995 ppm2 0.801 CV 1 OR { 2314} ( segid " " and resid 19 and name HG1%) ( segid " " and resid 44 and name HD2%) OR { 2314} ( segid " " and resid 126 and name HG2%) ( segid " " and resid 125 and name HG1%) ASSI { 2316} ( segid " " and resid 19 and name HG1%) (( segid " " and resid 20 and name HB3 )) 3.900 1.900 1.900 peak 2316 spectrum 1 weight 0.10000E+01 volume 0.12392E-02 ppm1 0.995 ppm2 1.923 CV 1 OR { 2316} ( segid " " and resid 19 and name HG1%) (( segid " " and resid 11 and name HG )) OR { 2316} ( segid " " and resid 19 and name HG1%) (( segid " " and resid 14 and name HB2 )) OR { 2316} ( segid " " and resid 19 and name HG1%) (( segid " " and resid 44 and name HB2 )) ASSI { 2318} ( segid " " and resid 19 and name HG1%) (( segid " " and resid 10 and name HB2 )) 3.800 1.800 1.800 peak 2318 spectrum 1 weight 0.10000E+01 volume 0.95373E-03 ppm1 0.995 ppm2 2.147 CV 1 OR { 2318} ( segid " " and resid 19 and name HG1%) (( segid " " and resid 21 and name HB2 )) ASSI { 2319} ( segid " " and resid 19 and name HG1%) (( segid " " and resid 20 and name HB2 )) 4.200 2.200 1.800 peak 2319 spectrum 1 weight 0.10000E+01 volume 0.99126E-03 ppm1 0.995 ppm2 2.082 CV 1 OR { 2319} ( segid " " and resid 19 and name HG1%) (( segid " " and resid 21 and name HB3 )) ASSI { 2322} ( segid " " and resid 19 and name HG1%) (( segid " " and resid 11 and name HA )) 4.800 2.900 1.200 peak 2322 spectrum 1 weight 0.10000E+01 volume 0.55328E-03 ppm1 0.995 ppm2 3.989 CV 1 OR { 2322} ( segid " " and resid 19 and name HG1%) (( segid " " and resid 17 and name HB3 )) ASSI { 2323} ( segid " " and resid 19 and name HG1%) (( segid " " and resid 44 and name HA )) 3.600 1.600 1.600 peak 2323 spectrum 1 weight 0.10000E+01 volume 0.90368E-03 ppm1 0.995 ppm2 4.107 CV 1 OR { 2323} ( segid " " and resid 19 and name HG1%) (( segid " " and resid 17 and name HA )) ASSI { 2328} ( segid " " and resid 19 and name HG1%) (( segid " " and resid 19 and name HN )) 3.800 1.800 1.800 peak 2328 spectrum 1 weight 0.10000E+01 volume 0.26359E-02 ppm1 0.995 ppm2 7.239 CV 1 OR { 2328} ( segid " " and resid 19 and name HG1%) (( segid " " and resid 41 and name HZ )) ASSI { 2336} ( segid " " and resid 19 and name HG2%) (( segid " " and resid 14 and name HB3 )) 3.200 1.300 1.300 peak 2336 spectrum 1 weight 0.10000E+01 volume 0.25632E-02 ppm1 0.961 ppm2 1.855 CV 1 OR { 2336} ( segid " " and resid 19 and name HG2%) (( segid " " and resid 16 and name HG2 )) ASSI { 2337} ( segid " " and resid 19 and name HG2%) (( segid " " and resid 14 and name HB2 )) 3.200 1.300 1.300 peak 2337 spectrum 1 weight 0.10000E+01 volume 0.26394E-02 ppm1 0.961 ppm2 1.931 CV 1 OR { 2337} ( segid " " and resid 19 and name HG2%) (( segid " " and resid 11 and name HG )) OR { 2337} ( segid " " and resid 19 and name HG2%) (( segid " " and resid 40 and name HB2 )) ASSI { 2347} ( segid " " and resid 19 and name HG2%) (( segid " " and resid 18 and name HN )) 3.300 1.300 1.300 peak 2347 spectrum 1 weight 0.10000E+01 volume 0.20207E-02 ppm1 0.961 ppm2 7.845 CV 1 OR { 2347} ( segid " " and resid 19 and name HG2%) (( segid " " and resid 17 and name HN )) ASSI { 2348} ( segid " " and resid 19 and name HG2%) (( segid " " and resid 15 and name HN )) 3.500 1.500 1.500 peak 2348 spectrum 1 weight 0.10000E+01 volume 0.56210E-03 ppm1 0.961 ppm2 8.518 CV 1 OR { 2348} ( segid " " and resid 19 and name HG2%) (( segid " " and resid 43 and name HN )) ASSI { 2362} (( segid " " and resid 20 and name HB2 )) (( segid " " and resid 44 and name HA )) 4.500 2.600 1.500 peak 2362 spectrum 1 weight 0.10000E+01 volume 0.67714E-03 ppm1 2.069 ppm2 4.143 CV 1 OR { 2362} (( segid " " and resid 21 and name HB3 )) (( segid " " and resid 44 and name HA )) ASSI { 2364} (( segid " " and resid 20 and name HG3 )) (( segid " " and resid 45 and name HB2 )) 3.400 1.500 1.500 peak 2364 spectrum 1 weight 0.10000E+01 volume 0.12643E-02 ppm1 1.598 ppm2 2.205 CV 1 OR { 2364} (( segid " " and resid 20 and name HG2 )) (( segid " " and resid 45 and name HB2 )) OR { 2364} (( segid " " and resid 20 and name HG3 )) (( segid " " and resid 43 and name HB2 )) OR { 2364} (( segid " " and resid 20 and name HG3 )) (( segid " " and resid 45 and name HB3 )) OR { 2364} (( segid " " and resid 20 and name HG2 )) (( segid " " and resid 45 and name HB3 )) ASSI { 2368} (( segid " " and resid 153 and name HD2 )) (( segid " " and resid 153 and name HE3 )) 2.500 0.800 0.800 peak 2368 spectrum 1 weight 0.10000E+01 volume 0.61516E-02 ppm1 1.783 ppm2 3.072 CV 1 OR { 2368} (( segid " " and resid 153 and name HD3 )) (( segid " " and resid 153 and name HE2 )) OR { 2368} (( segid " " and resid 153 and name HD3 )) (( segid " " and resid 153 and name HE3 )) OR { 2368} (( segid " " and resid 153 and name HD2 )) (( segid " " and resid 153 and name HE2 )) OR { 2368} (( segid " " and resid 20 and name HD2 )) (( segid " " and resid 20 and name HE2 )) ASSI { 2380} (( segid " " and resid 21 and name HA )) ( segid " " and resid 44 and name HD2%) 3.000 1.100 1.100 peak 2380 spectrum 1 weight 0.10000E+01 volume 0.29267E-02 ppm1 5.470 ppm2 0.792 CV 1 OR { 2380} (( segid " " and resid 21 and name HA )) ( segid " " and resid 23 and name HG2%) ASSI { 2385} (( segid " " and resid 21 and name HB2 )) ( segid " " and resid 23 and name HG2%) 3.900 1.900 1.900 peak 2385 spectrum 1 weight 0.10000E+01 volume 0.12834E-02 ppm1 2.164 ppm2 0.781 CV 1 OR { 2385} (( segid " " and resid 21 and name HB2 )) ( segid " " and resid 44 and name HD2%) ASSI { 2386} (( segid " " and resid 21 and name HB3 )) ( segid " " and resid 23 and name HG2%) 3.700 1.700 1.700 peak 2386 spectrum 1 weight 0.10000E+01 volume 0.15844E-02 ppm1 2.083 ppm2 0.781 CV 1 OR { 2386} (( segid " " and resid 21 and name HB3 )) ( segid " " and resid 44 and name HD2%) OR { 2386} (( segid " " and resid 111 and name HB2 )) ( segid " " and resid 139 and name HD2%) OR { 2386} (( segid " " and resid 20 and name HB2 )) ( segid " " and resid 44 and name HD2%) OR { 2386} (( segid " " and resid 111 and name HB2 )) ( segid " " and resid 83 and name HD1%) OR { 2386} (( segid " " and resid 111 and name HB2 )) ( segid " " and resid 115 and name HD2%) ASSI { 2390} (( segid " " and resid 21 and name HB3 )) ( segid " " and resid 46 and name HD% ) 2.800 1.000 1.000 peak 2390 spectrum 1 weight 0.10000E+01 volume 0.17769E-02 ppm1 2.083 ppm2 7.192 CV 1 OR { 2390} (( segid " " and resid 111 and name HB2 )) (( segid " " and resid 112 and name HN )) ASSI { 2393} (( segid " " and resid 21 and name HG3 )) ( segid " " and resid 44 and name HD2%) 4.100 2.100 1.900 peak 2393 spectrum 1 weight 0.10000E+01 volume 0.12929E-02 ppm1 2.265 ppm2 0.792 CV 1 OR { 2393} (( segid " " and resid 21 and name HG3 )) ( segid " " and resid 23 and name HG2%) ASSI { 2398} (( segid " " and resid 21 and name HG3 )) (( segid " " and resid 21 and name HN )) 3.000 1.100 1.100 peak 2398 spectrum 1 weight 0.10000E+01 volume 0.17745E-02 ppm1 2.265 ppm2 7.750 CV 1 OR { 2398} (( segid " " and resid 21 and name HG3 )) (( segid " " and resid 46 and name HN )) ASSI { 2403} (( segid " " and resid 21 and name HG2 )) (( segid " " and resid 20 and name HB3 )) 3.900 1.900 1.900 peak 2403 spectrum 1 weight 0.10000E+01 volume 0.14616E-02 ppm1 2.337 ppm2 1.892 CV 1 OR { 2403} (( segid " " and resid 10 and name HG3 )) (( segid " " and resid 7 and name HG12)) OR { 2403} (( segid " " and resid 10 and name HG3 )) (( segid " " and resid 7 and name HB )) OR { 2403} (( segid " " and resid 10 and name HG3 )) (( segid " " and resid 11 and name HB2 )) OR { 2403} (( segid " " and resid 21 and name HG2 )) (( segid " " and resid 68 and name HB2 )) ASSI { 2404} (( segid " " and resid 85 and name HG2 )) ( segid " " and resid 82 and name HG2%) 4.000 2.000 2.000 peak 2404 spectrum 1 weight 0.10000E+01 volume 0.15039E-02 ppm1 2.337 ppm2 0.959 CV 1 OR { 2404} (( segid " " and resid 10 and name HG3 )) ( segid " " and resid 9 and name HD2%) OR { 2404} (( segid " " and resid 81 and name HG2 )) ( segid " " and resid 82 and name HG2%) OR { 2404} (( segid " " and resid 81 and name HG3 )) ( segid " " and resid 82 and name HG2%) OR { 2404} (( segid " " and resid 21 and name HG2 )) ( segid " " and resid 19 and name HG1%) OR { 2404} (( segid " " and resid 10 and name HG3 )) ( segid " " and resid 9 and name HD1%) OR { 2404} (( segid " " and resid 10 and name HG3 )) ( segid " " and resid 11 and name HD1%) ASSI { 2405} (( segid " " and resid 10 and name HG3 )) ( segid " " and resid 11 and name HD2%) 4.000 2.000 2.000 peak 2405 spectrum 1 weight 0.10000E+01 volume 0.15212E-02 ppm1 2.337 ppm2 0.801 CV 1 OR { 2405} (( segid " " and resid 21 and name HG2 )) ( segid " " and resid 44 and name HD2%) OR { 2405} (( segid " " and resid 21 and name HG2 )) ( segid " " and resid 23 and name HG2%) OR { 2405} (( segid " " and resid 81 and name HG3 )) ( segid " " and resid 80 and name HD1%) OR { 2405} (( segid " " and resid 81 and name HG3 )) ( segid " " and resid 83 and name HD1%) OR { 2405} (( segid " " and resid 81 and name HG2 )) ( segid " " and resid 83 and name HD1%) OR { 2405} (( segid " " and resid 81 and name HG2 )) ( segid " " and resid 80 and name HD1%) OR { 2405} (( segid " " and resid 85 and name HG2 )) ( segid " " and resid 83 and name HD1%) ASSI { 2406} (( segid " " and resid 10 and name HG3 )) ( segid " " and resid 22 and name HD1%) 2.900 1.100 1.100 peak 2406 spectrum 1 weight 0.10000E+01 volume 0.24517E-02 ppm1 2.337 ppm2 0.701 CV 1 OR { 2406} (( segid " " and resid 10 and name HG3 )) ( segid " " and resid 22 and name HD2%) OR { 2406} (( segid " " and resid 10 and name HG3 )) ( segid " " and resid 24 and name HD2%) ASSI { 2407} (( segid " " and resid 81 and name HG3 )) ( segid " " and resid 82 and name HG1%) 4.100 2.100 1.900 peak 2407 spectrum 1 weight 0.10000E+01 volume 0.12065E-02 ppm1 2.337 ppm2 1.060 CV 1 OR { 2407} (( segid " " and resid 81 and name HG2 )) ( segid " " and resid 82 and name HG1%) OR { 2407} (( segid " " and resid 85 and name HG2 )) ( segid " " and resid 82 and name HG1%) ASSI { 2408} (( segid " " and resid 10 and name HG3 )) (( segid " " and resid 10 and name HB3 )) 2.000 0.500 0.500 peak 2408 spectrum 1 weight 0.10000E+01 volume 0.24642E-01 ppm1 2.337 ppm2 2.050 CV 1 OR { 2408} (( segid " " and resid 81 and name HG3 )) (( segid " " and resid 81 and name HB3 )) OR { 2408} (( segid " " and resid 81 and name HG2 )) (( segid " " and resid 81 and name HB2 )) OR { 2408} (( segid " " and resid 85 and name HG2 )) (( segid " " and resid 85 and name HB2 )) OR { 2408} (( segid " " and resid 85 and name HG2 )) (( segid " " and resid 85 and name HB3 )) OR { 2408} (( segid " " and resid 81 and name HG3 )) (( segid " " and resid 81 and name HB2 )) OR { 2408} (( segid " " and resid 81 and name HG2 )) (( segid " " and resid 81 and name HB3 )) ASSI { 2410} (( segid " " and resid 21 and name HG2 )) (( segid " " and resid 46 and name HN )) 3.600 1.600 1.600 peak 2410 spectrum 1 weight 0.10000E+01 volume 0.16398E-02 ppm1 2.337 ppm2 7.748 CV 1 OR { 2410} (( segid " " and resid 21 and name HG2 )) (( segid " " and resid 21 and name HN )) ASSI { 2411} (( segid " " and resid 81 and name HG3 )) (( segid " " and resid 80 and name HN )) 4.600 2.700 1.400 peak 2411 spectrum 1 weight 0.10000E+01 volume 0.63124E-03 ppm1 2.337 ppm2 9.043 CV 1 OR { 2411} (( segid " " and resid 10 and name HG3 )) (( segid " " and resid 23 and name HN )) OR { 2411} (( segid " " and resid 81 and name HG2 )) (( segid " " and resid 80 and name HN )) ASSI { 2417} (( segid " " and resid 22 and name HG )) (( segid " " and resid 22 and name HN )) 4.100 2.100 1.900 peak 2417 spectrum 1 weight 0.10000E+01 volume 0.94121E-03 ppm1 1.287 ppm2 8.161 CV 1 OR { 2417} (( segid " " and resid 100 and name HG13)) (( segid " " and resid 125 and name HN )) OR { 2417} (( segid " " and resid 120 and name HG )) (( segid " " and resid 119 and name HN )) OR { 2417} (( segid " " and resid 120 and name HG )) (( segid " " and resid 125 and name HN )) ASSI { 2418} ( segid " " and resid 60 and name HD2%) (( segid " " and resid 61 and name HD3 )) 3.400 1.500 1.500 peak 2418 spectrum 1 weight 0.10000E+01 volume 0.30382E-02 ppm1 0.716 ppm2 3.220 CV 1 OR { 2418} ( segid " " and resid 60 and name HD1%) (( segid " " and resid 61 and name HD3 )) OR { 2418} ( segid " " and resid 54 and name HD1%) (( segid " " and resid 74 and name HB3 )) ASSI { 2421} ( segid " " and resid 22 and name HD2%) (( segid " " and resid 41 and name HZ )) 3.600 1.600 1.600 peak 2421 spectrum 1 weight 0.10000E+01 volume 0.24403E-02 ppm1 0.717 ppm2 7.277 CV 1 OR { 2421} ( segid " " and resid 60 and name HD2%) (( segid " " and resid 60 and name HN )) OR { 2421} ( segid " " and resid 60 and name HD1%) (( segid " " and resid 60 and name HN )) ASSI { 2422} ( segid " " and resid 60 and name HD2%) ( segid " " and resid 37 and name HD2%) 2.300 0.700 0.700 peak 2422 spectrum 1 weight 0.10000E+01 volume 0.10837E-01 ppm1 0.712 ppm2 0.241 CV 1 OR { 2422} ( segid " " and resid 22 and name HD2%) ( segid " " and resid 37 and name HD1%) OR { 2422} ( segid " " and resid 60 and name HD1%) ( segid " " and resid 37 and name HD2%) ASSI { 2425} ( segid " " and resid 22 and name HD1%) (( segid " " and resid 10 and name HB2 )) 2.700 0.900 0.900 peak 2425 spectrum 1 weight 0.10000E+01 volume 0.35544E-02 ppm1 0.712 ppm2 2.152 CV 1 OR { 2425} ( segid " " and resid 22 and name HD2%) (( segid " " and resid 10 and name HB2 )) OR { 2425} ( segid " " and resid 60 and name HD1%) (( segid " " and resid 82 and name HB )) ASSI { 2426} ( segid " " and resid 60 and name HD1%) (( segid " " and resid 57 and name HB )) 2.500 0.800 0.800 peak 2426 spectrum 1 weight 0.10000E+01 volume 0.61456E-02 ppm1 0.712 ppm2 2.310 CV 1 OR { 2426} ( segid " " and resid 22 and name HD1%) (( segid " " and resid 10 and name HG3 )) OR { 2426} ( segid " " and resid 60 and name HD2%) (( segid " " and resid 57 and name HB )) ASSI { 2430} ( segid " " and resid 22 and name HD2%) (( segid " " and resid 8 and name HN )) 3.100 1.200 1.200 peak 2430 spectrum 1 weight 0.10000E+01 volume 0.75105E-03 ppm1 0.715 ppm2 7.733 CV 1 OR { 2430} ( segid " " and resid 22 and name HD1%) (( segid " " and resid 21 and name HN )) OR { 2430} ( segid " " and resid 22 and name HD2%) (( segid " " and resid 21 and name HN )) OR { 2430} ( segid " " and resid 22 and name HD1%) (( segid " " and resid 8 and name HN )) OR { 2430} ( segid " " and resid 22 and name HD2%) (( segid " " and resid 46 and name HN )) OR { 2430} ( segid " " and resid 22 and name HD2%) (( segid " " and resid 42 and name HN )) ASSI { 2434} ( segid " " and resid 160 and name HG2%) (( segid " " and resid 160 and name HB )) 2.100 0.600 0.600 peak 2434 spectrum 1 weight 0.10000E+01 volume 0.17274E-01 ppm1 0.859 ppm2 2.031 CV 1 OR { 2434} ( segid " " and resid 164 and name HG1%) (( segid " " and resid 164 and name HB )) OR { 2434} ( segid " " and resid 160 and name HG1%) (( segid " " and resid 160 and name HB )) OR { 2434} ( segid " " and resid 23 and name HG1%) (( segid " " and resid 23 and name HB )) ASSI { 2451} ( segid " " and resid 23 and name HG2%) (( segid " " and resid 21 and name HG2 )) 3.800 1.800 1.800 peak 2451 spectrum 1 weight 0.10000E+01 volume 0.11379E-02 ppm1 0.795 ppm2 2.310 CV 1 OR { 2451} ( segid " " and resid 49 and name HG2%) (( segid " " and resid 57 and name HB )) OR { 2451} ( segid " " and resid 23 and name HG2%) (( segid " " and resid 68 and name HE3 )) ASSI { 2460} ( segid " " and resid 23 and name HG2%) (( segid " " and resid 48 and name HN )) 3.100 1.200 1.200 peak 2460 spectrum 1 weight 0.10000E+01 volume 0.16667E-02 ppm1 0.795 ppm2 8.267 CV 1 OR { 2460} ( segid " " and resid 49 and name HG2%) (( segid " " and resid 48 and name HN )) ASSI { 2462} (( segid " " and resid 24 and name HB2 )) ( segid " " and resid 49 and name HG2%) 3.400 1.400 1.400 peak 2462 spectrum 1 weight 0.10000E+01 volume 0.18693E-02 ppm1 1.644 ppm2 0.808 CV 1 OR { 2462} (( segid " " and resid 24 and name HB3 )) ( segid " " and resid 49 and name HG2%) OR { 2462} (( segid " " and resid 24 and name HB2 )) ( segid " " and resid 23 and name HG2%) ASSI { 2465} (( segid " " and resid 69 and name HB2 )) ( segid " " and resid 90 and name HD2%) 2.800 0.900 0.900 peak 2465 spectrum 1 weight 0.10000E+01 volume 0.40420E-02 ppm1 2.011 ppm2 0.856 CV 1 OR { 2465} (( segid " " and resid 69 and name HB2 )) ( segid " " and resid 69 and name HD2%) ASSI { 2468} (( segid " " and resid 69 and name HB3 )) ( segid " " and resid 69 and name HD2%) 2.800 1.000 1.000 peak 2468 spectrum 1 weight 0.10000E+01 volume 0.41774E-02 ppm1 1.351 ppm2 0.856 CV 1 OR { 2468} (( segid " " and resid 69 and name HB3 )) ( segid " " and resid 90 and name HD2%) ASSI { 2471} (( segid " " and resid 69 and name HB3 )) ( segid " " and resid 93 and name HD1%) 3.300 1.400 1.400 peak 2471 spectrum 1 weight 0.10000E+01 volume 0.17936E-02 ppm1 1.351 ppm2 0.730 CV 1 OR { 2471} (( segid " " and resid 69 and name HB3 )) ( segid " " and resid 71 and name HD1%) OR { 2471} (( segid " " and resid 69 and name HB3 )) ( segid " " and resid 66 and name HD2%) OR { 2471} (( segid " " and resid 69 and name HB3 )) ( segid " " and resid 47 and name HD2%) ASSI { 2472} (( segid " " and resid 69 and name HG )) (( segid " " and resid 69 and name HA )) 3.500 1.500 1.500 peak 2472 spectrum 1 weight 0.10000E+01 volume 0.10538E-02 ppm1 1.376 ppm2 5.410 CV 1 OR { 2472} (( segid " " and resid 93 and name HG )) (( segid " " and resid 94 and name HA )) OR { 2472} (( segid " " and resid 100 and name HG12)) (( segid " " and resid 98 and name HA )) ASSI { 2476} ( segid " " and resid 69 and name HD1%) (( segid " " and resid 69 and name HN )) 4.100 2.100 1.900 peak 2476 spectrum 1 weight 0.10000E+01 volume 0.10157E-02 ppm1 0.806 ppm2 8.316 CV 1 OR { 2476} ( segid " " and resid 69 and name HD1%) (( segid " " and resid 71 and name HN )) ASSI { 2480} ( segid " " and resid 69 and name HD2%) (( segid " " and resid 47 and name HB2 )) 2.200 2.200 3.800 peak 2480 spectrum 1 weight 0.10000E+01 volume 0.43669E-02 ppm1 0.868 ppm2 1.802 CV 1 OR { 2480} ( segid " " and resid 69 and name HD2%) (( segid " " and resid 63 and name HB2 )) ASSI { 2487} ( segid " " and resid 60 and name HD1%) (( segid " " and resid 60 and name HG )) 2.200 0.600 0.600 peak 2487 spectrum 1 weight 0.10000E+01 volume 0.95193E-02 ppm1 0.707 ppm2 1.929 CV 1 OR { 2487} ( segid " " and resid 60 and name HD2%) (( segid " " and resid 60 and name HG )) OR { 2487} ( segid " " and resid 24 and name HD1%) (( segid " " and resid 7 and name HG12)) ASSI { 2494} ( segid " " and resid 24 and name HD1%) (( segid " " and resid 6 and name HA )) 3.100 1.200 1.200 peak 2494 spectrum 1 weight 0.10000E+01 volume 0.14461E-02 ppm1 0.707 ppm2 4.270 CV 1 OR { 2494} ( segid " " and resid 60 and name HD2%) (( segid " " and resid 37 and name HA )) OR { 2494} ( segid " " and resid 60 and name HD1%) (( segid " " and resid 37 and name HA )) ASSI { 2496} ( segid " " and resid 60 and name HD2%) (( segid " " and resid 61 and name HA )) 3.600 1.600 1.600 peak 2496 spectrum 1 weight 0.10000E+01 volume 0.22919E-02 ppm1 0.707 ppm2 4.631 CV 1 OR { 2496} ( segid " " and resid 60 and name HD1%) (( segid " " and resid 61 and name HA )) OR { 2496} ( segid " " and resid 60 and name HD2%) (( segid " " and resid 39 and name HA )) ASSI { 2500} ( segid " " and resid 24 and name HD1%) (( segid " " and resid 6 and name HN )) 3.000 1.100 1.100 peak 2500 spectrum 1 weight 0.10000E+01 volume 0.85893E-03 ppm1 0.707 ppm2 8.285 CV 1 OR { 2500} ( segid " " and resid 24 and name HD1%) (( segid " " and resid 48 and name HN )) OR { 2500} ( segid " " and resid 24 and name HD1%) (( segid " " and resid 36 and name HN )) OR { 2500} ( segid " " and resid 24 and name HD1%) (( segid " " and resid 50 and name HN )) OR { 2500} ( segid " " and resid 60 and name HD1%) (( segid " " and resid 69 and name HN )) ASSI { 2505} ( segid " " and resid 47 and name HD2%) (( segid " " and resid 48 and name HN )) 2.800 1.000 1.000 peak 2505 spectrum 1 weight 0.10000E+01 volume 0.47585E-02 ppm1 0.705 ppm2 8.286 CV 1 OR { 2505} ( segid " " and resid 71 and name HD2%) (( segid " " and resid 72 and name HN )) ASSI { 2506} ( segid " " and resid 71 and name HD2%) (( segid " " and resid 74 and name HD22)) 3.900 1.900 1.900 peak 2506 spectrum 1 weight 0.10000E+01 volume 0.18121E-02 ppm1 0.705 ppm2 7.185 CV 1 OR { 2506} ( segid " " and resid 109 and name HD2%) (( segid " " and resid 112 and name HN )) OR { 2506} ( segid " " and resid 103 and name HD2%) (( segid " " and resid 134 and name HD22)) ASSI { 2507} ( segid " " and resid 103 and name HD2%) (( segid " " and resid 138 and name HN )) 3.900 1.900 1.900 peak 2507 spectrum 1 weight 0.10000E+01 volume 0.79519E-03 ppm1 0.705 ppm2 7.484 CV 1 OR { 2507} ( segid " " and resid 103 and name HD2%) (( segid " " and resid 107 and name HN )) ASSI { 2508} ( segid " " and resid 24 and name HD2%) (( segid " " and resid 23 and name HN )) 3.300 1.400 1.400 peak 2508 spectrum 1 weight 0.10000E+01 volume 0.16929E-02 ppm1 0.705 ppm2 9.061 CV 1 OR { 2508} ( segid " " and resid 47 and name HD2%) (( segid " " and resid 49 and name HN )) ASSI { 2509} ( segid " " and resid 103 and name HD2%) (( segid " " and resid 103 and name HN )) 3.200 1.200 1.200 peak 2509 spectrum 1 weight 0.10000E+01 volume 0.40742E-02 ppm1 0.705 ppm2 8.435 CV 1 OR { 2509} ( segid " " and resid 24 and name HD2%) (( segid " " and resid 7 and name HN )) ASSI { 2510} ( segid " " and resid 71 and name HD2%) (( segid " " and resid 74 and name HD21)) 4.100 2.100 1.900 peak 2510 spectrum 1 weight 0.10000E+01 volume 0.75761E-03 ppm1 0.705 ppm2 7.845 CV 1 OR { 2510} ( segid " " and resid 103 and name HD2%) (( segid " " and resid 105 and name HN )) ASSI { 2511} ( segid " " and resid 109 and name HD2%) (( segid " " and resid 109 and name HA )) 1.900 0.500 0.500 peak 2511 spectrum 1 weight 0.10000E+01 volume 0.15498E-01 ppm1 0.705 ppm2 3.969 CV 1 OR { 2511} ( segid " " and resid 103 and name HD2%) (( segid " " and resid 103 and name HA )) ASSI { 2512} ( segid " " and resid 103 and name HD2%) (( segid " " and resid 135 and name HA )) 2.600 0.900 0.900 peak 2512 spectrum 1 weight 0.10000E+01 volume 0.61992E-02 ppm1 0.705 ppm2 3.342 CV 1 OR { 2512} ( segid " " and resid 47 and name HD2%) (( segid " " and resid 48 and name HB3 )) ASSI { 2517} ( segid " " and resid 71 and name HD2%) (( segid " " and resid 57 and name HB )) 2.600 2.600 3.400 peak 2517 spectrum 1 weight 0.10000E+01 volume 0.26513E-02 ppm1 0.705 ppm2 2.311 CV 1 OR { 2517} ( segid " " and resid 24 and name HD2%) (( segid " " and resid 10 and name HG3 )) OR { 2517} ( segid " " and resid 103 and name HD2%) (( segid " " and resid 107 and name HG3 )) OR { 2517} ( segid " " and resid 103 and name HD2%) (( segid " " and resid 133 and name HG2 )) OR { 2517} ( segid " " and resid 103 and name HD2%) (( segid " " and resid 133 and name HG3 )) OR { 2517} ( segid " " and resid 47 and name HD2%) (( segid " " and resid 68 and name HE3 )) ASSI { 2518} ( segid " " and resid 24 and name HD2%) (( segid " " and resid 7 and name HG12)) 2.300 0.700 0.700 peak 2518 spectrum 1 weight 0.10000E+01 volume 0.10193E-01 ppm1 0.705 ppm2 1.879 CV 1 OR { 2518} ( segid " " and resid 71 and name HD2%) (( segid " " and resid 71 and name HB2 )) ASSI { 2519} ( segid " " and resid 109 and name HD2%) (( segid " " and resid 109 and name HG )) 1.900 0.500 0.500 peak 2519 spectrum 1 weight 0.10000E+01 volume 0.22711E-01 ppm1 0.705 ppm2 1.698 CV 1 OR { 2519} ( segid " " and resid 103 and name HD2%) (( segid " " and resid 103 and name HG )) OR { 2519} ( segid " " and resid 71 and name HD2%) (( segid " " and resid 71 and name HB3 )) OR { 2519} ( segid " " and resid 103 and name HD2%) (( segid " " and resid 103 and name HB2 )) ASSI { 2520} ( segid " " and resid 103 and name HD2%) (( segid " " and resid 103 and name HB3 )) 2.200 0.600 0.600 peak 2520 spectrum 1 weight 0.10000E+01 volume 0.11415E-01 ppm1 0.705 ppm2 1.475 CV 1 OR { 2520} ( segid " " and resid 109 and name HD2%) (( segid " " and resid 80 and name HB3 )) OR { 2520} ( segid " " and resid 103 and name HD2%) (( segid " " and resid 106 and name HG12)) ASSI { 2521} ( segid " " and resid 24 and name HD2%) (( segid " " and resid 24 and name HG )) 1.900 0.500 0.500 peak 2521 spectrum 1 weight 0.10000E+01 volume 0.23998E-01 ppm1 0.705 ppm2 1.364 CV 1 OR { 2521} ( segid " " and resid 71 and name HD2%) (( segid " " and resid 71 and name HG )) OR { 2521} ( segid " " and resid 109 and name HD2%) (( segid " " and resid 109 and name HB3 )) ASSI { 2522} ( segid " " and resid 103 and name HD2%) ( segid " " and resid 103 and name HD1%) 1.800 0.400 0.400 peak 2522 spectrum 1 weight 0.10000E+01 volume 0.51124E-01 ppm1 0.705 ppm2 0.862 CV 1 OR { 2522} ( segid " " and resid 47 and name HD2%) ( segid " " and resid 69 and name HD2%) OR { 2522} ( segid " " and resid 109 and name HD2%) ( segid " " and resid 115 and name HD1%) ASSI { 2525} ( segid " " and resid 71 and name HD2%) (( segid " " and resid 70 and name HA )) 3.900 1.900 1.900 peak 2525 spectrum 1 weight 0.10000E+01 volume 0.10932E-02 ppm1 0.705 ppm2 4.750 CV 1 OR { 2525} ( segid " " and resid 47 and name HD2%) (( segid " " and resid 70 and name HA )) ASSI { 2526} ( segid " " and resid 24 and name HD2%) (( segid " " and resid 6 and name HA )) 3.200 1.300 1.300 peak 2526 spectrum 1 weight 0.10000E+01 volume 0.21751E-02 ppm1 0.705 ppm2 4.253 CV 1 OR { 2526} ( segid " " and resid 71 and name HD2%) (( segid " " and resid 95 and name HA )) OR { 2526} ( segid " " and resid 103 and name HD2%) (( segid " " and resid 105 and name HB )) OR { 2526} ( segid " " and resid 47 and name HD2%) (( segid " " and resid 49 and name HA )) OR { 2526} ( segid " " and resid 71 and name HD2%) (( segid " " and resid 50 and name HA )) OR { 2526} ( segid " " and resid 103 and name HD2%) (( segid " " and resid 136 and name HA )) ASSI { 2527} ( segid " " and resid 103 and name HD2%) (( segid " " and resid 131 and name HA )) 3.100 1.200 1.200 peak 2527 spectrum 1 weight 0.10000E+01 volume 0.26126E-02 ppm1 0.705 ppm2 4.088 CV 1 OR { 2527} ( segid " " and resid 71 and name HD2%) (( segid " " and resid 49 and name HB )) OR { 2527} ( segid " " and resid 47 and name HD2%) (( segid " " and resid 49 and name HB )) ASSI { 2528} ( segid " " and resid 103 and name HD2%) (( segid " " and resid 125 and name HA )) 4.000 2.000 2.000 peak 2528 spectrum 1 weight 0.10000E+01 volume 0.77610E-03 ppm1 0.705 ppm2 3.804 CV 1 OR { 2528} ( segid " " and resid 47 and name HD2%) (( segid " " and resid 48 and name HB2 )) OR { 2528} ( segid " " and resid 71 and name HD2%) (( segid " " and resid 72 and name HB2 )) OR { 2528} ( segid " " and resid 103 and name HD2%) (( segid " " and resid 108 and name HD2 )) ASSI { 2538} (( segid " " and resid 25 and name HB2 )) ( segid " " and resid 50 and name HG2%) 4.000 2.000 2.000 peak 2538 spectrum 1 weight 0.10000E+01 volume 0.10986E-02 ppm1 2.529 ppm2 0.743 CV 1 OR { 2538} (( segid " " and resid 25 and name HB2 )) ( segid " " and resid 52 and name HG1%) OR { 2538} (( segid " " and resid 25 and name HB2 )) ( segid " " and resid 50 and name HD1%) ASSI { 2557} (( segid " " and resid 29 and name HB3 )) ( segid " " and resid 54 and name HD1%) 3.700 1.700 1.700 peak 2557 spectrum 1 weight 0.10000E+01 volume 0.12530E-02 ppm1 3.591 ppm2 0.754 CV 1 OR { 2557} (( segid " " and resid 29 and name HB3 )) ( segid " " and resid 52 and name HG2%) OR { 2557} (( segid " " and resid 29 and name HB3 )) ( segid " " and resid 52 and name HG1%) ASSI { 2568} (( segid " " and resid 132 and name HB3 )) (( segid " " and resid 132 and name HG3 )) 2.500 0.800 0.800 peak 2568 spectrum 1 weight 0.10000E+01 volume 0.58465E-02 ppm1 1.579 ppm2 1.322 CV 1 OR { 2568} (( segid " " and resid 33 and name HD2 )) (( segid " " and resid 33 and name HG3 )) OR { 2568} (( segid " " and resid 33 and name HD2 )) (( segid " " and resid 33 and name HG2 )) ASSI { 2569} (( segid " " and resid 33 and name HD2 )) (( segid " " and resid 59 and name HB2 )) 3.400 1.500 1.500 peak 2569 spectrum 1 weight 0.10000E+01 volume 0.27468E-02 ppm1 1.579 ppm2 2.922 CV 1 OR { 2569} (( segid " " and resid 132 and name HB3 )) (( segid " " and resid 136 and name HB2 )) OR { 2569} (( segid " " and resid 132 and name HB3 )) (( segid " " and resid 134 and name HB2 )) OR { 2569} (( segid " " and resid 132 and name HB3 )) (( segid " " and resid 146 and name HB2 )) ASSI { 2583} ( segid " " and resid 34 and name HG2%) ( segid " " and resid 3 and name HE% ) 3.100 1.200 1.200 peak 2583 spectrum 1 weight 0.10000E+01 volume 0.23986E-02 ppm1 0.725 ppm2 1.928 CV 1 OR { 2583} ( segid " " and resid 34 and name HG2%) (( segid " " and resid 35 and name HB3 )) OR { 2583} ( segid " " and resid 34 and name HG2%) (( segid " " and resid 35 and name HB2 )) ASSI { 2585} ( segid " " and resid 34 and name HD1%) (( segid " " and resid 60 and name HG )) 3.800 1.800 1.800 peak 2585 spectrum 1 weight 0.10000E+01 volume 0.13310E-02 ppm1 0.711 ppm2 1.928 CV 1 OR { 2585} ( segid " " and resid 34 and name HD1%) ( segid " " and resid 3 and name HE% ) OR { 2585} ( segid " " and resid 34 and name HD1%) (( segid " " and resid 35 and name HB2 )) ASSI { 2616} ( segid " " and resid 30 and name HG2%) (( segid " " and resid 35 and name HB3 )) 3.500 1.600 1.600 peak 2616 spectrum 1 weight 0.10000E+01 volume 0.27009E-02 ppm1 0.956 ppm2 1.975 CV 1 OR { 2616} ( segid " " and resid 76 and name HG2%) (( segid " " and resid 99 and name HB2 )) OR { 2616} ( segid " " and resid 30 and name HG2%) (( segid " " and resid 35 and name HB2 )) ASSI { 2621} ( segid " " and resid 76 and name HG2%) (( segid " " and resid 55 and name HA )) 4.100 2.100 1.900 peak 2621 spectrum 1 weight 0.10000E+01 volume 0.10765E-02 ppm1 0.956 ppm2 4.314 CV 1 OR { 2621} ( segid " " and resid 76 and name HG2%) (( segid " " and resid 106 and name HA )) ASSI { 2637} (( segid " " and resid 30 and name HG13)) (( segid " " and resid 4 and name HA )) 3.900 1.900 1.900 peak 2637 spectrum 1 weight 0.10000E+01 volume 0.90187E-03 ppm1 1.468 ppm2 4.186 CV 1 OR { 2637} (( segid " " and resid 16 and name HG3 )) (( segid " " and resid 36 and name HA1 )) OR { 2637} (( segid " " and resid 16 and name HG3 )) (( segid " " and resid 42 and name HA )) ASSI { 2645} (( segid " " and resid 107 and name HG3 )) ( segid " " and resid 138 and name HD2%) 2.600 0.800 0.800 peak 2645 spectrum 1 weight 0.10000E+01 volume 0.44915E-02 ppm1 2.307 ppm2 0.956 CV 1 OR { 2645} (( segid " " and resid 31 and name HG2 )) ( segid " " and resid 30 and name HG2%) ASSI { 2649} (( segid " " and resid 37 and name HA )) (( segid " " and resid 37 and name HB2 )) 2.700 0.900 0.900 peak 2649 spectrum 1 weight 0.10000E+01 volume 0.38847E-02 ppm1 4.268 ppm2 1.239 CV 1 OR { 2649} (( segid " " and resid 37 and name HA )) ( segid " " and resid 38 and name HG2%) ASSI { 2650} (( segid " " and resid 37 and name HA )) (( segid " " and resid 37 and name HB3 )) 2.700 0.900 0.900 peak 2650 spectrum 1 weight 0.10000E+01 volume 0.24213E-02 ppm1 4.268 ppm2 0.996 CV 1 OR { 2650} (( segid " " and resid 37 and name HA )) ( segid " " and resid 63 and name HD2%) ASSI { 2654} (( segid " " and resid 37 and name HB2 )) ( segid " " and resid 34 and name HG2%) 2.500 0.800 0.800 peak 2654 spectrum 1 weight 0.10000E+01 volume 0.42751E-02 ppm1 1.243 ppm2 0.711 CV 1 OR { 2654} (( segid " " and resid 37 and name HB2 )) ( segid " " and resid 34 and name HD1%) OR { 2654} (( segid " " and resid 37 and name HB2 )) ( segid " " and resid 63 and name HD1%) ASSI { 2656} (( segid " " and resid 37 and name HB3 )) ( segid " " and resid 34 and name HG2%) 3.100 1.200 1.200 peak 2656 spectrum 1 weight 0.10000E+01 volume 0.46864E-02 ppm1 1.007 ppm2 0.711 CV 1 OR { 2656} (( segid " " and resid 37 and name HB3 )) ( segid " " and resid 63 and name HD1%) OR { 2656} (( segid " " and resid 37 and name HB3 )) ( segid " " and resid 34 and name HD1%) ASSI { 2664} (( segid " " and resid 35 and name HG3 )) ( segid " " and resid 30 and name HD1%) 3.300 1.400 1.400 peak 2664 spectrum 1 weight 0.10000E+01 volume 0.14348E-02 ppm1 2.162 ppm2 0.954 CV 1 OR { 2664} (( segid " " and resid 35 and name HG3 )) ( segid " " and resid 30 and name HG2%) OR { 2664} (( segid " " and resid 85 and name HG3 )) ( segid " " and resid 82 and name HG2%) ASSI { 2673} (( segid " " and resid 37 and name HA )) ( segid " " and resid 34 and name HG2%) 3.800 1.800 1.800 peak 2673 spectrum 1 weight 0.10000E+01 volume 0.16398E-02 ppm1 4.268 ppm2 0.711 CV 1 OR { 2673} (( segid " " and resid 37 and name HA )) ( segid " " and resid 7 and name HD1%) OR { 2673} (( segid " " and resid 37 and name HA )) ( segid " " and resid 63 and name HD1%) OR { 2673} (( segid " " and resid 37 and name HA )) ( segid " " and resid 34 and name HD1%) ASSI { 2675} (( segid " " and resid 37 and name HG )) ( segid " " and resid 47 and name HD2%) 3.000 1.100 1.100 peak 2675 spectrum 1 weight 0.10000E+01 volume 0.42643E-02 ppm1 1.180 ppm2 0.711 CV 1 OR { 2675} (( segid " " and resid 37 and name HG )) ( segid " " and resid 34 and name HG2%) OR { 2675} (( segid " " and resid 37 and name HG )) ( segid " " and resid 63 and name HD1%) OR { 2675} (( segid " " and resid 37 and name HG )) ( segid " " and resid 34 and name HD1%) ASSI { 2677} ( segid " " and resid 37 and name HD2%) ( segid " " and resid 47 and name HD2%) 2.000 0.500 0.500 peak 2677 spectrum 1 weight 0.10000E+01 volume 0.37946E-01 ppm1 0.231 ppm2 0.718 CV 1 OR { 2677} ( segid " " and resid 37 and name HD1%) ( segid " " and resid 47 and name HD2%) OR { 2677} ( segid " " and resid 37 and name HD1%) ( segid " " and resid 34 and name HG2%) OR { 2677} ( segid " " and resid 37 and name HD2%) ( segid " " and resid 63 and name HD1%) OR { 2677} ( segid " " and resid 37 and name HD2%) ( segid " " and resid 34 and name HG2%) OR { 2677} ( segid " " and resid 37 and name HD1%) ( segid " " and resid 34 and name HD1%) OR { 2677} ( segid " " and resid 37 and name HD2%) ( segid " " and resid 34 and name HD1%) ASSI { 2680} ( segid " " and resid 37 and name HD1%) ( segid " " and resid 3 and name HE% ) 3.300 1.400 1.400 peak 2680 spectrum 1 weight 0.10000E+01 volume 0.15247E-02 ppm1 0.231 ppm2 1.902 CV 1 OR { 2680} ( segid " " and resid 37 and name HD1%) (( segid " " and resid 7 and name HG12)) OR { 2680} ( segid " " and resid 37 and name HD2%) ( segid " " and resid 3 and name HE% ) OR { 2680} ( segid " " and resid 37 and name HD2%) (( segid " " and resid 7 and name HB )) ASSI { 2683} ( segid " " and resid 37 and name HD2%) (( segid " " and resid 61 and name HG2 )) 3.400 1.500 1.500 peak 2683 spectrum 1 weight 0.10000E+01 volume 0.24558E-02 ppm1 0.256 ppm2 1.546 CV 1 OR { 2683} ( segid " " and resid 37 and name HD1%) (( segid " " and resid 61 and name HG2 )) OR { 2683} ( segid " " and resid 37 and name HD2%) (( segid " " and resid 44 and name HB3 )) OR { 2683} ( segid " " and resid 37 and name HD2%) (( segid " " and resid 60 and name HB3 )) ASSI { 2698} (( segid " " and resid 39 and name HB2 )) (( segid " " and resid 62 and name HB2 )) 3.600 1.700 1.700 peak 2698 spectrum 1 weight 0.10000E+01 volume 0.26972E-02 ppm1 2.912 ppm2 1.860 CV 1 OR { 2698} (( segid " " and resid 39 and name HB3 )) (( segid " " and resid 62 and name HB2 )) OR { 2698} (( segid " " and resid 39 and name HB2 )) (( segid " " and resid 61 and name HB3 )) OR { 2698} (( segid " " and resid 39 and name HB3 )) (( segid " " and resid 61 and name HB3 )) ASSI { 2699} (( segid " " and resid 39 and name HB2 )) (( segid " " and resid 62 and name HB3 )) 3.500 1.500 1.500 peak 2699 spectrum 1 weight 0.10000E+01 volume 0.12202E-02 ppm1 2.912 ppm2 1.688 CV 1 OR { 2699} (( segid " " and resid 39 and name HB3 )) (( segid " " and resid 62 and name HB3 )) OR { 2699} (( segid " " and resid 39 and name HB2 )) (( segid " " and resid 40 and name HB3 )) ASSI { 2700} (( segid " " and resid 39 and name HB2 )) (( segid " " and resid 62 and name HG2 )) 4.600 2.700 1.400 peak 2700 spectrum 1 weight 0.10000E+01 volume 0.83688E-03 ppm1 2.912 ppm2 1.517 CV 1 OR { 2700} (( segid " " and resid 39 and name HB3 )) (( segid " " and resid 62 and name HG2 )) OR { 2700} (( segid " " and resid 39 and name HB2 )) (( segid " " and resid 61 and name HG2 )) OR { 2700} (( segid " " and resid 39 and name HB3 )) (( segid " " and resid 61 and name HG2 )) ASSI { 2713} (( segid " " and resid 42 and name HG3 )) (( segid " " and resid 42 and name HA )) 3.100 1.200 1.200 peak 2713 spectrum 1 weight 0.10000E+01 volume 0.40527E-02 ppm1 2.250 ppm2 4.211 CV 1 OR { 2713} (( segid " " and resid 133 and name HG3 )) (( segid " " and resid 130 and name HA )) ASSI { 2742} (( segid " " and resid 63 and name HB3 )) (( segid " " and resid 66 and name HG )) 2.700 0.900 0.900 peak 2742 spectrum 1 weight 0.10000E+01 volume 0.24326E-02 ppm1 1.576 ppm2 1.379 CV 1 OR { 2742} (( segid " " and resid 44 and name HB3 )) (( segid " " and resid 66 and name HG )) OR { 2742} (( segid " " and resid 90 and name HB3 )) (( segid " " and resid 69 and name HB3 )) ASSI { 2743} (( segid " " and resid 63 and name HB3 )) ( segid " " and resid 63 and name HD2%) 2.600 0.900 0.900 peak 2743 spectrum 1 weight 0.10000E+01 volume 0.24135E-02 ppm1 1.576 ppm2 0.970 CV 1 OR { 2743} (( segid " " and resid 90 and name HB3 )) ( segid " " and resid 112 and name HD1%) OR { 2743} (( segid " " and resid 44 and name HB3 )) ( segid " " and resid 63 and name HD2%) ASSI { 2744} (( segid " " and resid 44 and name HB3 )) ( segid " " and resid 44 and name HD1%) 2.600 0.800 0.800 peak 2744 spectrum 1 weight 0.10000E+01 volume 0.43830E-02 ppm1 1.576 ppm2 0.825 CV 1 OR { 2744} (( segid " " and resid 90 and name HB3 )) ( segid " " and resid 112 and name HD2%) OR { 2744} (( segid " " and resid 63 and name HB3 )) ( segid " " and resid 44 and name HD1%) ASSI { 2756} ( segid " " and resid 44 and name HD1%) ( segid " " and resid 47 and name HD2%) 2.400 0.700 0.700 peak 2756 spectrum 1 weight 0.10000E+01 volume 0.12428E-01 ppm1 0.848 ppm2 0.725 CV 1 OR { 2756} ( segid " " and resid 44 and name HD1%) ( segid " " and resid 63 and name HD1%) OR { 2756} ( segid " " and resid 44 and name HD1%) ( segid " " and resid 66 and name HD2%) ASSI { 2760} ( segid " " and resid 44 and name HD1%) (( segid " " and resid 41 and name HB2 )) 4.200 2.200 1.800 peak 2760 spectrum 1 weight 0.10000E+01 volume 0.18610E-02 ppm1 0.848 ppm2 3.272 CV 1 OR { 2760} ( segid " " and resid 44 and name HD1%) (( segid " " and resid 46 and name HB2 )) ASSI { 2768} ( segid " " and resid 52 and name HG2%) (( segid " " and resid 29 and name HB3 )) 3.400 1.500 1.500 peak 2768 spectrum 1 weight 0.10000E+01 volume 0.18449E-02 ppm1 0.763 ppm2 3.588 CV 1 OR { 2768} ( segid " " and resid 52 and name HG2%) (( segid " " and resid 51 and name HB2 )) ASSI { 2769} ( segid " " and resid 52 and name HG2%) (( segid " " and resid 49 and name HB )) 2.500 0.800 0.800 peak 2769 spectrum 1 weight 0.10000E+01 volume 0.58775E-02 ppm1 0.763 ppm2 4.076 CV 1 OR { 2769} ( segid " " and resid 52 and name HG2%) (( segid " " and resid 54 and name HA )) ASSI { 2775} (( segid " " and resid 45 and name HB3 )) (( segid " " and resid 67 and name HG2 )) 3.300 1.400 1.400 peak 2775 spectrum 1 weight 0.10000E+01 volume 0.17286E-02 ppm1 2.200 ppm2 1.788 CV 1 OR { 2775} (( segid " " and resid 45 and name HB2 )) (( segid " " and resid 67 and name HG2 )) OR { 2775} (( segid " " and resid 45 and name HB3 )) (( segid " " and resid 68 and name HB3 )) OR { 2775} (( segid " " and resid 45 and name HB2 )) (( segid " " and resid 47 and name HB2 )) ASSI { 2776} (( segid " " and resid 45 and name HB3 )) (( segid " " and resid 67 and name HG3 )) 3.600 1.600 1.600 peak 2776 spectrum 1 weight 0.10000E+01 volume 0.12798E-02 ppm1 2.200 ppm2 1.656 CV 1 OR { 2776} (( segid " " and resid 45 and name HB2 )) (( segid " " and resid 67 and name HG3 )) OR { 2776} (( segid " " and resid 45 and name HB3 )) (( segid " " and resid 65 and name HG2 )) ASSI { 2777} (( segid " " and resid 45 and name HB2 )) ( segid " " and resid 44 and name HD2%) 4.400 2.400 1.600 peak 2777 spectrum 1 weight 0.10000E+01 volume 0.11970E-02 ppm1 2.200 ppm2 0.759 CV 1 OR { 2777} (( segid " " and resid 45 and name HB3 )) ( segid " " and resid 44 and name HD2%) OR { 2777} (( segid " " and resid 45 and name HB3 )) ( segid " " and resid 66 and name HD2%) OR { 2777} (( segid " " and resid 45 and name HB2 )) ( segid " " and resid 66 and name HD2%) ASSI { 2780} (( segid " " and resid 45 and name HB2 )) (( segid " " and resid 44 and name HA )) 4.300 2.300 1.700 peak 2780 spectrum 1 weight 0.10000E+01 volume 0.15784E-02 ppm1 2.200 ppm2 4.130 CV 1 OR { 2780} (( segid " " and resid 45 and name HB3 )) (( segid " " and resid 66 and name HA )) OR { 2780} (( segid " " and resid 45 and name HB3 )) (( segid " " and resid 44 and name HA )) ASSI { 2781} (( segid " " and resid 45 and name HG2 )) (( segid " " and resid 67 and name HG3 )) 3.600 1.600 1.600 peak 2781 spectrum 1 weight 0.10000E+01 volume 0.10169E-02 ppm1 2.640 ppm2 1.616 CV 1 OR { 2781} (( segid " " and resid 45 and name HG2 )) (( segid " " and resid 65 and name HG2 )) OR { 2781} (( segid " " and resid 45 and name HG2 )) (( segid " " and resid 44 and name HB3 )) ASSI { 2782} (( segid " " and resid 45 and name HG2 )) (( segid " " and resid 67 and name HG2 )) 3.500 1.500 1.500 peak 2782 spectrum 1 weight 0.10000E+01 volume 0.15093E-02 ppm1 2.640 ppm2 1.800 CV 1 OR { 2782} (( segid " " and resid 45 and name HG2 )) (( segid " " and resid 65 and name HB2 )) ASSI { 2790} ( segid " " and resid 44 and name HD1%) (( segid " " and resid 22 and name HN )) 4.100 2.100 1.900 peak 2790 spectrum 1 weight 0.10000E+01 volume 0.70756E-03 ppm1 0.848 ppm2 8.153 CV 1 OR { 2790} ( segid " " and resid 44 and name HD1%) (( segid " " and resid 68 and name HN )) ASSI { 2797} (( segid " " and resid 51 and name HB3 )) (( segid " " and resid 51 and name HN )) 4.000 2.000 2.000 peak 2797 spectrum 1 weight 0.10000E+01 volume 0.94837E-03 ppm1 2.370 ppm2 8.171 CV 1 OR { 2797} (( segid " " and resid 124 and name HG3 )) (( segid " " and resid 125 and name HN )) OR { 2797} (( segid " " and resid 124 and name HG2 )) (( segid " " and resid 125 and name HN )) ASSI { 2804} (( segid " " and resid 40 and name HG2 )) (( segid " " and resid 16 and name HG2 )) 3.500 1.500 1.500 peak 2804 spectrum 1 weight 0.10000E+01 volume 0.17638E-02 ppm1 2.370 ppm2 1.807 CV 1 OR { 2804} (( segid " " and resid 45 and name HG3 )) (( segid " " and resid 65 and name HB2 )) ASSI { 2805} (( segid " " and resid 46 and name HA )) (( segid " " and resid 21 and name HA )) 4.300 2.400 1.700 peak 2805 spectrum 1 weight 0.10000E+01 volume 0.73912E-03 ppm1 5.818 ppm2 5.446 CV 1 OR { 2805} (( segid " " and resid 46 and name HA )) (( segid " " and resid 68 and name HA )) OR { 2805} (( segid " " and resid 46 and name HA )) (( segid " " and resid 69 and name HA )) ASSI { 2807} (( segid " " and resid 46 and name HA )) ( segid " " and resid 44 and name HD2%) 3.400 1.400 1.400 peak 2807 spectrum 1 weight 0.10000E+01 volume 0.18717E-02 ppm1 5.818 ppm2 0.765 CV 1 OR { 2807} (( segid " " and resid 46 and name HA )) ( segid " " and resid 66 and name HD2%) ASSI { 2808} (( segid " " and resid 46 and name HA )) ( segid " " and resid 44 and name HD1%) 3.700 1.700 1.700 peak 2808 spectrum 1 weight 0.10000E+01 volume 0.10169E-02 ppm1 5.818 ppm2 0.836 CV 1 OR { 2808} (( segid " " and resid 46 and name HA )) ( segid " " and resid 69 and name HD2%) ASSI { 2811} (( segid " " and resid 46 and name HB2 )) (( segid " " and resid 45 and name HB2 )) 3.900 1.900 1.900 peak 2811 spectrum 1 weight 0.10000E+01 volume 0.11594E-02 ppm1 3.271 ppm2 2.162 CV 1 OR { 2811} (( segid " " and resid 46 and name HB2 )) (( segid " " and resid 21 and name HB2 )) ASSI { 2817} (( segid " " and resid 46 and name HB3 )) (( segid " " and resid 21 and name HB2 )) 3.800 1.800 1.800 peak 2817 spectrum 1 weight 0.10000E+01 volume 0.14098E-02 ppm1 2.890 ppm2 2.128 CV 1 OR { 2817} (( segid " " and resid 151 and name HB2 )) (( segid " " and resid 153 and name HB2 )) ASSI { 2820} (( segid " " and resid 47 and name HA )) (( segid " " and resid 22 and name HB3 )) 3.300 1.400 1.400 peak 2820 spectrum 1 weight 0.10000E+01 volume 0.10145E-02 ppm1 4.986 ppm2 1.335 CV 1 OR { 2820} (( segid " " and resid 47 and name HA )) (( segid " " and resid 68 and name HD2 )) OR { 2820} (( segid " " and resid 47 and name HA )) (( segid " " and resid 69 and name HB3 )) OR { 2820} (( segid " " and resid 47 and name HA )) (( segid " " and resid 68 and name HG2 )) ASSI { 2822} (( segid " " and resid 47 and name HA )) ( segid " " and resid 23 and name HG2%) 3.900 1.900 1.900 peak 2822 spectrum 1 weight 0.10000E+01 volume 0.11498E-02 ppm1 4.986 ppm2 0.829 CV 1 OR { 2822} (( segid " " and resid 47 and name HA )) ( segid " " and resid 44 and name HD1%) OR { 2822} (( segid " " and resid 47 and name HA )) ( segid " " and resid 23 and name HG1%) OR { 2822} (( segid " " and resid 47 and name HA )) ( segid " " and resid 69 and name HD2%) ASSI { 2829} (( segid " " and resid 47 and name HG )) ( segid " " and resid 69 and name HD2%) 3.400 1.400 1.400 peak 2829 spectrum 1 weight 0.10000E+01 volume 0.24827E-02 ppm1 1.170 ppm2 0.844 CV 1 OR { 2829} (( segid " " and resid 47 and name HG )) ( segid " " and resid 49 and name HG2%) OR { 2829} (( segid " " and resid 47 and name HG )) ( segid " " and resid 44 and name HD1%) ASSI { 2834} ( segid " " and resid 47 and name HD1%) ( segid " " and resid 69 and name HD2%) 2.200 0.600 0.600 peak 2834 spectrum 1 weight 0.10000E+01 volume 0.18878E-01 ppm1 0.517 ppm2 0.842 CV 1 OR { 2834} ( segid " " and resid 47 and name HD1%) ( segid " " and resid 49 and name HG2%) OR { 2834} ( segid " " and resid 47 and name HD1%) ( segid " " and resid 44 and name HD1%) ASSI { 2836} ( segid " " and resid 47 and name HD1%) (( segid " " and resid 69 and name HG )) 3.200 1.300 1.300 peak 2836 spectrum 1 weight 0.10000E+01 volume 0.30841E-02 ppm1 0.517 ppm2 1.366 CV 1 OR { 2836} ( segid " " and resid 47 and name HD1%) (( segid " " and resid 66 and name HG )) OR { 2836} ( segid " " and resid 47 and name HD1%) (( segid " " and resid 69 and name HB3 )) ASSI { 2838} ( segid " " and resid 47 and name HD1%) (( segid " " and resid 44 and name HB2 )) 4.100 2.100 1.900 peak 2838 spectrum 1 weight 0.10000E+01 volume 0.10676E-02 ppm1 0.517 ppm2 1.955 CV 1 OR { 2838} ( segid " " and resid 47 and name HD1%) ( segid " " and resid 3 and name HE% ) ASSI { 2839} ( segid " " and resid 47 and name HD1%) (( segid " " and resid 49 and name HB )) 4.300 2.300 1.700 peak 2839 spectrum 1 weight 0.10000E+01 volume 0.66401E-03 ppm1 0.517 ppm2 4.117 CV 1 OR { 2839} ( segid " " and resid 47 and name HD1%) (( segid " " and resid 66 and name HA )) ASSI { 2844} (( segid " " and resid 48 and name HB3 )) (( segid " " and resid 70 and name HN )) 4.600 2.600 1.400 peak 2844 spectrum 1 weight 0.10000E+01 volume 0.65510E-03 ppm1 3.311 ppm2 8.939 CV 1 OR { 2844} (( segid " " and resid 48 and name HB3 )) (( segid " " and resid 24 and name HN )) ASSI { 2845} (( segid " " and resid 48 and name HB2 )) (( segid " " and resid 24 and name HN )) 4.400 2.400 1.600 peak 2845 spectrum 1 weight 0.10000E+01 volume 0.75285E-03 ppm1 3.775 ppm2 8.938 CV 1 OR { 2845} (( segid " " and resid 48 and name HB2 )) (( segid " " and resid 70 and name HN )) ASSI { 2847} (( segid " " and resid 49 and name HA )) ( segid " " and resid 52 and name HG1%) 2.800 1.000 1.000 peak 2847 spectrum 1 weight 0.10000E+01 volume 0.50035E-02 ppm1 4.277 ppm2 0.718 CV 1 OR { 2847} (( segid " " and resid 49 and name HA )) ( segid " " and resid 50 and name HG2%) OR { 2847} (( segid " " and resid 49 and name HA )) ( segid " " and resid 54 and name HD1%) ASSI { 2852} (( segid " " and resid 49 and name HB )) ( segid " " and resid 52 and name HG1%) 2.500 0.800 0.800 peak 2852 spectrum 1 weight 0.10000E+01 volume 0.72720E-02 ppm1 4.085 ppm2 0.714 CV 1 OR { 2852} (( segid " " and resid 49 and name HB )) ( segid " " and resid 54 and name HD1%) ASSI { 2856} ( segid " " and resid 49 and name HG2%) ( segid " " and resid 54 and name HD2%) 2.200 0.600 0.600 peak 2856 spectrum 1 weight 0.10000E+01 volume 0.25560E-01 ppm1 0.815 ppm2 0.698 CV 1 OR { 2856} ( segid " " and resid 49 and name HG2%) ( segid " " and resid 47 and name HD2%) OR { 2856} ( segid " " and resid 49 and name HG2%) ( segid " " and resid 52 and name HG1%) OR { 2856} ( segid " " and resid 49 and name HG2%) ( segid " " and resid 34 and name HD1%) OR { 2856} ( segid " " and resid 49 and name HG2%) ( segid " " and resid 71 and name HD2%) OR { 2856} ( segid " " and resid 23 and name HG2%) ( segid " " and resid 22 and name HD1%) OR { 2856} ( segid " " and resid 23 and name HG2%) ( segid " " and resid 24 and name HD2%) OR { 2856} ( segid " " and resid 23 and name HG2%) ( segid " " and resid 47 and name HD2%) ASSI { 2858} ( segid " " and resid 49 and name HG2%) ( segid " " and resid 37 and name HD1%) 2.800 1.000 1.000 peak 2858 spectrum 1 weight 0.10000E+01 volume 0.13334E-02 ppm1 0.815 ppm2 0.234 CV 1 OR { 2858} ( segid " " and resid 49 and name HG2%) ( segid " " and resid 37 and name HD2%) OR { 2858} ( segid " " and resid 23 and name HG2%) ( segid " " and resid 37 and name HD2%) ASSI { 2859} ( segid " " and resid 49 and name HG2%) (( segid " " and resid 47 and name HG )) 2.800 1.000 1.000 peak 2859 spectrum 1 weight 0.10000E+01 volume 0.44318E-02 ppm1 0.815 ppm2 1.163 CV 1 OR { 2859} ( segid " " and resid 23 and name HG2%) (( segid " " and resid 47 and name HG )) ASSI { 2860} ( segid " " and resid 49 and name HG2%) (( segid " " and resid 24 and name HG )) 3.300 1.400 1.400 peak 2860 spectrum 1 weight 0.10000E+01 volume 0.21048E-02 ppm1 0.815 ppm2 1.361 CV 1 OR { 2860} ( segid " " and resid 49 and name HG2%) (( segid " " and resid 71 and name HG )) OR { 2860} ( segid " " and resid 23 and name HG2%) (( segid " " and resid 24 and name HG )) OR { 2860} ( segid " " and resid 49 and name HG2%) (( segid " " and resid 54 and name HB2 )) OR { 2860} ( segid " " and resid 23 and name HG2%) (( segid " " and resid 68 and name HD2 )) ASSI { 2861} ( segid " " and resid 49 and name HG2%) (( segid " " and resid 24 and name HB2 )) 2.800 1.000 1.000 peak 2861 spectrum 1 weight 0.10000E+01 volume 0.63781E-02 ppm1 0.815 ppm2 1.653 CV 1 OR { 2861} ( segid " " and resid 23 and name HG2%) (( segid " " and resid 50 and name HG13)) OR { 2861} ( segid " " and resid 23 and name HG2%) (( segid " " and resid 50 and name HG12)) OR { 2861} ( segid " " and resid 23 and name HG2%) (( segid " " and resid 24 and name HB2 )) OR { 2861} ( segid " " and resid 49 and name HG2%) (( segid " " and resid 34 and name HG12)) OR { 2861} ( segid " " and resid 23 and name HG2%) (( segid " " and resid 24 and name HB3 )) ASSI { 2866} ( segid " " and resid 49 and name HG2%) (( segid " " and resid 71 and name HA )) 3.900 1.900 1.900 peak 2866 spectrum 1 weight 0.10000E+01 volume 0.12357E-02 ppm1 0.815 ppm2 4.450 CV 1 OR { 2866} ( segid " " and resid 23 and name HG2%) (( segid " " and resid 24 and name HA )) ASSI { 2869} ( segid " " and resid 49 and name HG2%) (( segid " " and resid 48 and name HA )) 3.800 1.800 1.800 peak 2869 spectrum 1 weight 0.10000E+01 volume 0.10581E-02 ppm1 0.815 ppm2 5.173 CV 1 OR { 2869} ( segid " " and resid 23 and name HG2%) (( segid " " and resid 48 and name HA )) ASSI { 2881} ( segid " " and resid 50 and name HG2%) (( segid " " and resid 72 and name HB3 )) 3.100 1.200 1.200 peak 2881 spectrum 1 weight 0.10000E+01 volume 0.36141E-02 ppm1 0.718 ppm2 3.762 CV 1 OR { 2881} ( segid " " and resid 50 and name HG2%) (( segid " " and resid 72 and name HB2 )) OR { 2881} ( segid " " and resid 50 and name HG2%) (( segid " " and resid 48 and name HB2 )) ASSI { 2882} ( segid " " and resid 50 and name HG2%) (( segid " " and resid 25 and name HA )) 4.000 2.000 2.000 peak 2882 spectrum 1 weight 0.10000E+01 volume 0.11218E-02 ppm1 0.718 ppm2 4.500 CV 1 OR { 2882} ( segid " " and resid 50 and name HG2%) (( segid " " and resid 26 and name HA )) ASSI { 2891} (( segid " " and resid 50 and name HG13)) (( segid " " and resid 50 and name HA )) 3.800 1.800 1.800 peak 2891 spectrum 1 weight 0.10000E+01 volume 0.11731E-02 ppm1 1.619 ppm2 4.260 CV 1 OR { 2891} (( segid " " and resid 50 and name HG12)) (( segid " " and resid 50 and name HA )) OR { 2891} (( segid " " and resid 50 and name HG12)) (( segid " " and resid 49 and name HA )) ASSI { 2896} ( segid " " and resid 50 and name HD1%) (( segid " " and resid 70 and name HB3 )) 3.100 1.200 1.200 peak 2896 spectrum 1 weight 0.10000E+01 volume 0.11200E-02 ppm1 0.770 ppm2 2.122 CV 1 OR { 2896} ( segid " " and resid 50 and name HD1%) (( segid " " and resid 73 and name HG3 )) ASSI { 2897} ( segid " " and resid 50 and name HD1%) (( segid " " and resid 70 and name HG3 )) 3.300 1.400 1.400 peak 2897 spectrum 1 weight 0.10000E+01 volume 0.30269E-02 ppm1 0.770 ppm2 2.384 CV 1 OR { 2897} ( segid " " and resid 50 and name HD1%) (( segid " " and resid 51 and name HB3 )) ASSI { 2899} ( segid " " and resid 50 and name HD1%) (( segid " " and resid 72 and name HB3 )) 3.000 1.100 1.100 peak 2899 spectrum 1 weight 0.10000E+01 volume 0.28004E-02 ppm1 0.770 ppm2 3.759 CV 1 OR { 2899} ( segid " " and resid 50 and name HD1%) (( segid " " and resid 72 and name HB2 )) OR { 2899} ( segid " " and resid 50 and name HD1%) (( segid " " and resid 48 and name HB2 )) ASSI { 2902} (( segid " " and resid 51 and name HB2 )) (( segid " " and resid 26 and name HA )) 4.500 2.600 1.500 peak 2902 spectrum 1 weight 0.10000E+01 volume 0.72780E-03 ppm1 3.574 ppm2 4.520 CV 1 OR { 2902} (( segid " " and resid 51 and name HB2 )) (( segid " " and resid 25 and name HA )) ASSI { 2912} ( segid " " and resid 145 and name HD2%) (( segid " " and resid 118 and name HB2 )) 2.800 1.000 1.000 peak 2912 spectrum 1 weight 0.10000E+01 volume 0.33810E-02 ppm1 0.720 ppm2 1.659 CV 1 OR { 2912} ( segid " " and resid 52 and name HG1%) (( segid " " and resid 24 and name HB2 )) OR { 2912} ( segid " " and resid 142 and name HG2%) (( segid " " and resid 118 and name HB2 )) ASSI { 2913} ( segid " " and resid 52 and name HG1%) ( segid " " and resid 3 and name HE% ) 2.700 0.900 0.900 peak 2913 spectrum 1 weight 0.10000E+01 volume 0.48735E-02 ppm1 0.720 ppm2 1.921 CV 1 OR { 2913} ( segid " " and resid 142 and name HG2%) (( segid " " and resid 139 and name HB2 )) ASSI { 2915} ( segid " " and resid 142 and name HG2%) (( segid " " and resid 135 and name HA )) 2.900 2.900 3.100 peak 2915 spectrum 1 weight 0.10000E+01 volume 0.13942E-02 ppm1 0.720 ppm2 3.346 CV 1 OR { 2915} ( segid " " and resid 145 and name HD2%) (( segid " " and resid 135 and name HA )) OR { 2915} ( segid " " and resid 145 and name HD2%) (( segid " " and resid 149 and name HB2 )) OR { 2915} ( segid " " and resid 142 and name HG2%) (( segid " " and resid 149 and name HB2 )) ASSI { 2917} ( segid " " and resid 145 and name HD2%) (( segid " " and resid 132 and name HD2 )) 3.400 1.400 1.400 peak 2917 spectrum 1 weight 0.10000E+01 volume 0.13310E-02 ppm1 0.720 ppm2 3.591 CV 1 OR { 2917} ( segid " " and resid 52 and name HG1%) (( segid " " and resid 29 and name HB3 )) OR { 2917} ( segid " " and resid 145 and name HD2%) (( segid " " and resid 147 and name HA2 )) OR { 2917} ( segid " " and resid 142 and name HG2%) (( segid " " and resid 117 and name HB3 )) ASSI { 2919} ( segid " " and resid 52 and name HG1%) (( segid " " and resid 49 and name HA )) 2.900 1.100 1.100 peak 2919 spectrum 1 weight 0.10000E+01 volume 0.25900E-02 ppm1 0.720 ppm2 4.279 CV 1 OR { 2919} ( segid " " and resid 142 and name HG2%) (( segid " " and resid 136 and name HA )) ASSI { 2924} ( segid " " and resid 52 and name HG2%) (( segid " " and resid 27 and name HN )) 3.500 1.500 1.500 peak 2924 spectrum 1 weight 0.10000E+01 volume 0.10932E-02 ppm1 0.763 ppm2 7.680 CV 1 OR { 2924} ( segid " " and resid 52 and name HG2%) (( segid " " and resid 56 and name HN )) ASSI { 2930} ( segid " " and resid 52 and name HG1%) (( segid " " and resid 74 and name HD21)) 3.200 1.300 1.300 peak 2930 spectrum 1 weight 0.10000E+01 volume 0.23539E-02 ppm1 0.720 ppm2 7.877 CV 1 OR { 2930} ( segid " " and resid 142 and name HG2%) (( segid " " and resid 139 and name HN )) ASSI { 2955} (( segid " " and resid 54 and name HB2 )) ( segid " " and resid 54 and name HD1%) 2.600 0.800 0.800 peak 2955 spectrum 1 weight 0.10000E+01 volume 0.50192E-02 ppm1 1.303 ppm2 0.747 CV 1 OR { 2955} (( segid " " and resid 54 and name HB3 )) ( segid " " and resid 54 and name HD1%) OR { 2955} (( segid " " and resid 54 and name HB3 )) ( segid " " and resid 52 and name HG2%) OR { 2955} (( segid " " and resid 54 and name HB2 )) ( segid " " and resid 52 and name HG2%) ASSI { 2958} ( segid " " and resid 54 and name HD1%) (( segid " " and resid 54 and name HG )) 2.400 0.700 0.700 peak 2958 spectrum 1 weight 0.10000E+01 volume 0.70340E-02 ppm1 0.738 ppm2 1.577 CV 1 OR { 2958} ( segid " " and resid 60 and name HD1%) (( segid " " and resid 60 and name HB2 )) OR { 2958} ( segid " " and resid 60 and name HD1%) (( segid " " and resid 60 and name HB3 )) ASSI { 2961} ( segid " " and resid 54 and name HD1%) (( segid " " and resid 54 and name HA )) 3.200 1.300 1.300 peak 2961 spectrum 1 weight 0.10000E+01 volume 0.35324E-02 ppm1 0.738 ppm2 4.077 CV 1 OR { 2961} ( segid " " and resid 54 and name HD1%) (( segid " " and resid 49 and name HB )) ASSI { 2963} ( segid " " and resid 54 and name HD1%) (( segid " " and resid 32 and name HA1 )) 4.100 2.100 1.900 peak 2963 spectrum 1 weight 0.10000E+01 volume 0.65690E-03 ppm1 0.738 ppm2 4.459 CV 1 OR { 2963} ( segid " " and resid 54 and name HD1%) (( segid " " and resid 71 and name HA )) ASSI { 2974} ( segid " " and resid 55 and name HG2%) (( segid " " and resid 56 and name HB2 )) 3.800 1.800 1.800 peak 2974 spectrum 1 weight 0.10000E+01 volume 0.16851E-02 ppm1 1.177 ppm2 4.042 CV 1 OR { 2974} ( segid " " and resid 55 and name HG2%) (( segid " " and resid 54 and name HA )) ASSI { 2976} ( segid " " and resid 55 and name HG2%) (( segid " " and resid 76 and name HA )) 4.200 2.300 1.800 peak 2976 spectrum 1 weight 0.10000E+01 volume 0.69744E-03 ppm1 1.177 ppm2 3.689 CV 1 OR { 2976} ( segid " " and resid 55 and name HG2%) (( segid " " and resid 77 and name HB3 )) ASSI { 2979} (( segid " " and resid 56 and name HB3 )) (( segid " " and resid 57 and name HG12)) 4.000 2.000 2.000 peak 2979 spectrum 1 weight 0.10000E+01 volume 0.15897E-02 ppm1 3.406 ppm2 1.310 CV 1 OR { 2979} (( segid " " and resid 56 and name HB3 )) (( segid " " and resid 54 and name HB3 )) ASSI { 2980} (( segid " " and resid 56 and name HB2 )) (( segid " " and resid 57 and name HG12)) 4.300 2.300 1.700 peak 2980 spectrum 1 weight 0.10000E+01 volume 0.10104E-02 ppm1 4.033 ppm2 1.314 CV 1 OR { 2980} (( segid " " and resid 56 and name HB2 )) (( segid " " and resid 54 and name HB3 )) ASSI { 2986} ( segid " " and resid 57 and name HG2%) ( segid " " and resid 57 and name HD1%) 1.800 0.400 0.400 peak 2986 spectrum 1 weight 0.10000E+01 volume 0.36367E-01 ppm1 0.870 ppm2 0.727 CV 1 OR { 2986} ( segid " " and resid 57 and name HG2%) ( segid " " and resid 76 and name HD1%) OR { 2986} ( segid " " and resid 57 and name HG2%) ( segid " " and resid 71 and name HD2%) OR { 2986} ( segid " " and resid 57 and name HG2%) ( segid " " and resid 60 and name HD1%) ASSI { 2989} ( segid " " and resid 57 and name HG2%) (( segid " " and resid 54 and name HG )) 4.200 2.200 1.800 peak 2989 spectrum 1 weight 0.10000E+01 volume 0.14652E-02 ppm1 0.870 ppm2 1.569 CV 1 OR { 2989} ( segid " " and resid 57 and name HG2%) (( segid " " and resid 83 and name HG )) OR { 2989} ( segid " " and resid 57 and name HG2%) (( segid " " and resid 60 and name HB3 )) OR { 2989} ( segid " " and resid 57 and name HG2%) (( segid " " and resid 60 and name HB2 )) ASSI { 2990} ( segid " " and resid 57 and name HG2%) (( segid " " and resid 71 and name HB3 )) 3.500 1.500 1.500 peak 2990 spectrum 1 weight 0.10000E+01 volume 0.11874E-02 ppm1 0.870 ppm2 1.659 CV 1 OR { 2990} ( segid " " and resid 57 and name HG2%) (( segid " " and resid 76 and name HB )) ASSI { 2993} ( segid " " and resid 57 and name HG2%) (( segid " " and resid 80 and name HA )) 4.400 2.500 1.600 peak 2993 spectrum 1 weight 0.10000E+01 volume 0.77074E-03 ppm1 0.870 ppm2 4.001 CV 1 OR { 2993} ( segid " " and resid 57 and name HG2%) (( segid " " and resid 60 and name HA )) ASSI { 2996} ( segid " " and resid 57 and name HG2%) (( segid " " and resid 58 and name HN )) 3.200 1.300 1.300 peak 2996 spectrum 1 weight 0.10000E+01 volume 0.93584E-03 ppm1 0.870 ppm2 8.532 CV 1 OR { 2996} ( segid " " and resid 57 and name HG2%) (( segid " " and resid 54 and name HN )) ASSI { 3003} ( segid " " and resid 57 and name HD1%) (( segid " " and resid 83 and name HG )) 2.700 0.900 0.900 peak 3003 spectrum 1 weight 0.10000E+01 volume 0.48962E-02 ppm1 0.741 ppm2 1.570 CV 1 OR { 3003} ( segid " " and resid 57 and name HD1%) (( segid " " and resid 80 and name HG )) OR { 3003} ( segid " " and resid 57 and name HD1%) (( segid " " and resid 60 and name HB3 )) OR { 3003} ( segid " " and resid 57 and name HD1%) (( segid " " and resid 60 and name HB2 )) ASSI { 3004} ( segid " " and resid 57 and name HD1%) (( segid " " and resid 83 and name HB2 )) 4.100 2.100 1.900 peak 3004 spectrum 1 weight 0.10000E+01 volume 0.10336E-02 ppm1 0.741 ppm2 1.907 CV 1 OR { 3004} ( segid " " and resid 106 and name HD1%) (( segid " " and resid 139 and name HB2 )) OR { 3004} ( segid " " and resid 106 and name HD1%) (( segid " " and resid 95 and name HB2 )) ASSI { 3005} ( segid " " and resid 106 and name HD1%) (( segid " " and resid 103 and name HA )) 2.600 0.900 0.900 peak 3005 spectrum 1 weight 0.10000E+01 volume 0.49653E-02 ppm1 0.741 ppm2 3.971 CV 1 OR { 3005} ( segid " " and resid 57 and name HD1%) (( segid " " and resid 80 and name HA )) ASSI { 3007} ( segid " " and resid 57 and name HD1%) (( segid " " and resid 83 and name HN )) 3.900 1.900 1.900 peak 3007 spectrum 1 weight 0.10000E+01 volume 0.13966E-02 ppm1 0.741 ppm2 7.287 CV 1 OR { 3007} ( segid " " and resid 57 and name HD1%) (( segid " " and resid 60 and name HN )) ASSI { 3008} ( segid " " and resid 57 and name HD1%) (( segid " " and resid 82 and name HN )) 4.100 2.100 1.900 peak 3008 spectrum 1 weight 0.10000E+01 volume 0.82917E-03 ppm1 0.741 ppm2 7.598 CV 1 OR { 3008} ( segid " " and resid 57 and name HD1%) (( segid " " and resid 98 and name HD21)) ASSI { 3021} ( segid " " and resid 106 and name HD1%) (( segid " " and resid 103 and name HG )) 3.400 1.500 1.500 peak 3021 spectrum 1 weight 0.10000E+01 volume 0.22758E-02 ppm1 0.764 ppm2 1.682 CV 1 OR { 3021} ( segid " " and resid 106 and name HD1%) (( segid " " and resid 138 and name HB3 )) OR { 3021} ( segid " " and resid 57 and name HD1%) (( segid " " and resid 71 and name HB3 )) OR { 3021} ( segid " " and resid 106 and name HD1%) (( segid " " and resid 118 and name HB2 )) OR { 3021} ( segid " " and resid 57 and name HD1%) (( segid " " and resid 76 and name HB )) ASSI { 3032} (( segid " " and resid 58 and name HA )) (( segid " " and resid 79 and name HB3 )) 3.600 1.700 1.700 peak 3032 spectrum 1 weight 0.10000E+01 volume 0.10974E-02 ppm1 4.062 ppm2 2.969 CV 1 OR { 3032} (( segid " " and resid 58 and name HA )) (( segid " " and resid 79 and name HB2 )) OR { 3032} (( segid " " and resid 58 and name HA )) (( segid " " and resid 59 and name HB2 )) ASSI { 3037} (( segid " " and resid 58 and name HB2 )) (( segid " " and resid 79 and name HB3 )) 3.600 1.600 1.600 peak 3037 spectrum 1 weight 0.10000E+01 volume 0.13197E-02 ppm1 3.951 ppm2 2.959 CV 1 OR { 3037} (( segid " " and resid 58 and name HB2 )) (( segid " " and resid 79 and name HB2 )) OR { 3037} (( segid " " and resid 58 and name HB2 )) (( segid " " and resid 59 and name HB2 )) ASSI { 3039} (( segid " " and resid 58 and name HB3 )) (( segid " " and resid 79 and name HB3 )) 3.700 1.700 1.700 peak 3039 spectrum 1 weight 0.10000E+01 volume 0.12011E-02 ppm1 3.857 ppm2 2.965 CV 1 OR { 3039} (( segid " " and resid 58 and name HB3 )) (( segid " " and resid 79 and name HB2 )) OR { 3039} (( segid " " and resid 58 and name HB3 )) (( segid " " and resid 59 and name HB2 )) ASSI { 3040} (( segid " " and resid 58 and name HB3 )) ( segid " " and resid 82 and name HG1%) 4.100 2.100 1.900 peak 3040 spectrum 1 weight 0.10000E+01 volume 0.12047E-02 ppm1 3.857 ppm2 1.056 CV 1 OR { 3040} (( segid " " and resid 58 and name HB3 )) (( segid " " and resid 57 and name HG13)) ASSI { 3052} (( segid " " and resid 60 and name HA )) (( segid " " and resid 60 and name HB2 )) 2.500 0.800 0.800 peak 3052 spectrum 1 weight 0.10000E+01 volume 0.46923E-02 ppm1 3.994 ppm2 1.538 CV 1 OR { 3052} (( segid " " and resid 60 and name HA )) (( segid " " and resid 60 and name HB3 )) OR { 3052} (( segid " " and resid 60 and name HA )) (( segid " " and resid 61 and name HG2 )) ASSI { 3068} (( segid " " and resid 59 and name HB2 )) ( segid " " and resid 34 and name HD1%) 4.000 2.000 2.000 peak 3068 spectrum 1 weight 0.10000E+01 volume 0.80231E-03 ppm1 2.957 ppm2 0.718 CV 1 OR { 3068} (( segid " " and resid 136 and name HB2 )) ( segid " " and resid 135 and name HG1%) OR { 3068} (( segid " " and resid 26 and name HB3 )) ( segid " " and resid 52 and name HG1%) OR { 3068} (( segid " " and resid 136 and name HB2 )) ( segid " " and resid 142 and name HG2%) OR { 3068} (( segid " " and resid 59 and name HB2 )) ( segid " " and resid 60 and name HD2%) OR { 3068} (( segid " " and resid 59 and name HB2 )) ( segid " " and resid 60 and name HD1%) ASSI { 3081} ( segid " " and resid 54 and name HD1%) (( segid " " and resid 54 and name HG )) 2.200 0.600 0.600 peak 3081 spectrum 1 weight 0.10000E+01 volume 0.11338E-01 ppm1 0.716 ppm2 1.544 CV 1 OR { 3081} ( segid " " and resid 60 and name HD1%) (( segid " " and resid 60 and name HB2 )) OR { 3081} ( segid " " and resid 60 and name HD1%) (( segid " " and resid 60 and name HB3 )) OR { 3081} ( segid " " and resid 60 and name HD2%) (( segid " " and resid 60 and name HB2 )) OR { 3081} ( segid " " and resid 60 and name HD2%) (( segid " " and resid 60 and name HB3 )) ASSI { 3086} ( segid " " and resid 60 and name HD1%) (( segid " " and resid 57 and name HB )) 2.500 0.800 0.800 peak 3086 spectrum 1 weight 0.10000E+01 volume 0.52943E-02 ppm1 0.716 ppm2 2.314 CV 1 OR { 3086} ( segid " " and resid 22 and name HD1%) (( segid " " and resid 10 and name HG3 )) OR { 3086} ( segid " " and resid 60 and name HD2%) (( segid " " and resid 57 and name HB )) OR { 3086} ( segid " " and resid 22 and name HD2%) (( segid " " and resid 10 and name HG3 )) ASSI { 3097} (( segid " " and resid 61 and name HB3 )) (( segid " " and resid 39 and name HB2 )) 4.000 2.000 2.000 peak 3097 spectrum 1 weight 0.10000E+01 volume 0.12065E-02 ppm1 1.847 ppm2 2.903 CV 1 OR { 3097} (( segid " " and resid 14 and name HB3 )) (( segid " " and resid 13 and name HB3 )) OR { 3097} (( segid " " and resid 61 and name HB3 )) (( segid " " and resid 39 and name HB3 )) ASSI { 3104} (( segid " " and resid 61 and name HD3 )) (( segid " " and resid 61 and name HG2 )) 2.900 1.000 1.000 peak 3104 spectrum 1 weight 0.10000E+01 volume 0.41934E-02 ppm1 3.215 ppm2 1.544 CV 1 OR { 3104} (( segid " " and resid 61 and name HD3 )) (( segid " " and resid 60 and name HB3 )) ASSI { 3107} (( segid " " and resid 61 and name HD3 )) (( segid " " and resid 37 and name HB3 )) 3.200 1.300 1.300 peak 3107 spectrum 1 weight 0.10000E+01 volume 0.98475E-03 ppm1 3.215 ppm2 0.988 CV 1 OR { 3107} (( segid " " and resid 61 and name HD3 )) ( segid " " and resid 63 and name HD2%) ASSI { 3108} (( segid " " and resid 61 and name HD3 )) ( segid " " and resid 60 and name HD2%) 3.100 1.200 1.200 peak 3108 spectrum 1 weight 0.10000E+01 volume 0.54406E-02 ppm1 3.215 ppm2 0.709 CV 1 OR { 3108} (( segid " " and resid 61 and name HD3 )) ( segid " " and resid 63 and name HD1%) OR { 3108} (( segid " " and resid 61 and name HD3 )) ( segid " " and resid 60 and name HD1%) ASSI { 3116} (( segid " " and resid 61 and name HD2 )) (( segid " " and resid 61 and name HG2 )) 2.300 0.700 0.700 peak 3116 spectrum 1 weight 0.10000E+01 volume 0.36355E-02 ppm1 3.533 ppm2 1.544 CV 1 OR { 3116} (( segid " " and resid 61 and name HD2 )) (( segid " " and resid 60 and name HB2 )) OR { 3116} (( segid " " and resid 61 and name HD2 )) (( segid " " and resid 60 and name HB3 )) ASSI { 3119} (( segid " " and resid 61 and name HD2 )) (( segid " " and resid 37 and name HB3 )) 3.900 1.900 1.900 peak 3119 spectrum 1 weight 0.10000E+01 volume 0.73852E-03 ppm1 3.533 ppm2 0.988 CV 1 OR { 3119} (( segid " " and resid 61 and name HD2 )) ( segid " " and resid 63 and name HD2%) ASSI { 3120} (( segid " " and resid 61 and name HD2 )) ( segid " " and resid 60 and name HD2%) 2.700 0.900 0.900 peak 3120 spectrum 1 weight 0.10000E+01 volume 0.39550E-02 ppm1 3.533 ppm2 0.709 CV 1 OR { 3120} (( segid " " and resid 61 and name HD2 )) ( segid " " and resid 63 and name HD1%) ASSI { 3130} (( segid " " and resid 61 and name HG3 )) (( segid " " and resid 61 and name HA )) 4.200 2.200 1.800 peak 3130 spectrum 1 weight 0.10000E+01 volume 0.10485E-02 ppm1 1.422 ppm2 4.637 CV 1 OR { 3130} (( segid " " and resid 61 and name HG3 )) (( segid " " and resid 39 and name HA )) ASSI { 3131} (( segid " " and resid 61 and name HG2 )) (( segid " " and resid 61 and name HA )) 3.900 1.900 1.900 peak 3131 spectrum 1 weight 0.10000E+01 volume 0.11785E-02 ppm1 1.546 ppm2 4.637 CV 1 OR { 3131} (( segid " " and resid 61 and name HG2 )) (( segid " " and resid 39 and name HA )) ASSI { 3132} (( segid " " and resid 61 and name HG2 )) ( segid " " and resid 63 and name HD2%) 2.700 0.900 0.900 peak 3132 spectrum 1 weight 0.10000E+01 volume 0.18478E-02 ppm1 1.546 ppm2 0.986 CV 1 OR { 3132} (( segid " " and resid 61 and name HG2 )) (( segid " " and resid 37 and name HB3 )) ASSI { 3133} (( segid " " and resid 61 and name HG3 )) (( segid " " and resid 37 and name HB3 )) 2.500 0.800 0.800 peak 3133 spectrum 1 weight 0.10000E+01 volume 0.22240E-02 ppm1 1.422 ppm2 0.982 CV 1 OR { 3133} (( segid " " and resid 61 and name HG3 )) ( segid " " and resid 63 and name HD2%) ASSI { 3136} (( segid " " and resid 61 and name HG2 )) ( segid " " and resid 63 and name HD1%) 2.700 0.900 0.900 peak 3136 spectrum 1 weight 0.10000E+01 volume 0.25822E-02 ppm1 1.546 ppm2 0.712 CV 1 OR { 3136} (( segid " " and resid 61 and name HG2 )) ( segid " " and resid 60 and name HD2%) ASSI { 3137} (( segid " " and resid 61 and name HG3 )) ( segid " " and resid 63 and name HD1%) 3.300 1.400 1.400 peak 3137 spectrum 1 weight 0.10000E+01 volume 0.28886E-02 ppm1 1.422 ppm2 0.717 CV 1 OR { 3137} (( segid " " and resid 61 and name HG3 )) ( segid " " and resid 60 and name HD2%) ASSI { 3140} (( segid " " and resid 62 and name HG3 )) (( segid " " and resid 63 and name HN )) 4.000 2.000 2.000 peak 3140 spectrum 1 weight 0.10000E+01 volume 0.11159E-02 ppm1 1.476 ppm2 8.592 CV 1 OR { 3140} (( segid " " and resid 86 and name HG2 )) (( segid " " and resid 63 and name HN )) ASSI { 3145} ( segid " " and resid 63 and name HD1%) (( segid " " and resid 37 and name HG )) 3.400 1.500 1.500 peak 3145 spectrum 1 weight 0.10000E+01 volume 0.15820E-02 ppm1 0.714 ppm2 1.176 CV 1 OR { 3145} ( segid " " and resid 63 and name HD1%) (( segid " " and resid 47 and name HG )) ASSI { 3146} ( segid " " and resid 63 and name HD1%) (( segid " " and resid 66 and name HG )) 2.600 0.900 0.900 peak 3146 spectrum 1 weight 0.10000E+01 volume 0.51184E-02 ppm1 0.714 ppm2 1.410 CV 1 OR { 3146} ( segid " " and resid 63 and name HD1%) (( segid " " and resid 61 and name HG3 )) OR { 3146} ( segid " " and resid 63 and name HD1%) (( segid " " and resid 66 and name HB3 )) ASSI { 3147} ( segid " " and resid 63 and name HD1%) (( segid " " and resid 61 and name HG2 )) 2.000 0.500 0.500 peak 3147 spectrum 1 weight 0.10000E+01 volume 0.13180E-01 ppm1 0.714 ppm2 1.542 CV 1 OR { 3147} ( segid " " and resid 63 and name HD1%) (( segid " " and resid 44 and name HB3 )) ASSI { 3152} ( segid " " and resid 63 and name HD1%) (( segid " " and resid 60 and name HA )) 3.400 1.500 1.500 peak 3152 spectrum 1 weight 0.10000E+01 volume 0.79995E-03 ppm1 0.714 ppm2 3.985 CV 1 OR { 3152} ( segid " " and resid 63 and name HD1%) (( segid " " and resid 90 and name HA )) ASSI { 3153} ( segid " " and resid 63 and name HD1%) (( segid " " and resid 66 and name HA )) 4.600 2.700 1.400 peak 3153 spectrum 1 weight 0.10000E+01 volume 0.67238E-03 ppm1 0.714 ppm2 4.187 CV 1 OR { 3153} ( segid " " and resid 63 and name HD1%) (( segid " " and resid 62 and name HA )) ASSI { 3157} ( segid " " and resid 63 and name HD2%) (( segid " " and resid 61 and name HG2 )) 1.900 0.500 0.500 peak 3157 spectrum 1 weight 0.10000E+01 volume 0.12232E-01 ppm1 0.966 ppm2 1.545 CV 1 OR { 3157} ( segid " " and resid 63 and name HD2%) (( segid " " and resid 44 and name HB3 )) ASSI { 3158} ( segid " " and resid 63 and name HD2%) (( segid " " and resid 61 and name HG3 )) 3.000 1.100 1.100 peak 3158 spectrum 1 weight 0.10000E+01 volume 0.47198E-02 ppm1 0.966 ppm2 1.413 CV 1 OR { 3158} ( segid " " and resid 63 and name HD2%) (( segid " " and resid 66 and name HG )) ASSI { 3163} ( segid " " and resid 63 and name HD2%) (( segid " " and resid 41 and name HA )) 3.700 1.700 1.700 peak 3163 spectrum 1 weight 0.10000E+01 volume 0.89531E-03 ppm1 0.966 ppm2 4.334 CV 1 OR { 3163} ( segid " " and resid 63 and name HD2%) (( segid " " and resid 64 and name HA )) ASSI { 3164} ( segid " " and resid 63 and name HD2%) (( segid " " and resid 42 and name HA )) 2.900 1.100 1.100 peak 3164 spectrum 1 weight 0.10000E+01 volume 0.12947E-02 ppm1 0.966 ppm2 4.202 CV 1 OR { 3164} ( segid " " and resid 63 and name HD2%) (( segid " " and resid 62 and name HA )) OR { 3164} ( segid " " and resid 9 and name HD2%) (( segid " " and resid 8 and name HA )) ASSI { 3171} (( segid " " and resid 92 and name HB2 )) (( segid " " and resid 91 and name HG2 )) 4.500 2.600 1.500 peak 3171 spectrum 1 weight 0.10000E+01 volume 0.66762E-03 ppm1 3.113 ppm2 1.743 CV 1 OR { 3171} (( segid " " and resid 92 and name HB2 )) (( segid " " and resid 68 and name HB3 )) ASSI { 3173} (( segid " " and resid 92 and name HB3 )) (( segid " " and resid 68 and name HB3 )) 3.800 1.800 1.800 peak 3173 spectrum 1 weight 0.10000E+01 volume 0.69744E-03 ppm1 3.013 ppm2 1.759 CV 1 OR { 3173} (( segid " " and resid 92 and name HB3 )) (( segid " " and resid 91 and name HG2 )) ASSI { 3179} (( segid " " and resid 92 and name HA )) (( segid " " and resid 93 and name HB2 )) 4.200 2.200 1.800 peak 3179 spectrum 1 weight 0.10000E+01 volume 0.91856E-03 ppm1 5.674 ppm2 1.990 CV 1 OR { 3179} (( segid " " and resid 92 and name HA )) (( segid " " and resid 116 and name HB2 )) ASSI { 3180} (( segid " " and resid 92 and name HA )) (( segid " " and resid 115 and name HB3 )) 4.200 2.200 1.800 peak 3180 spectrum 1 weight 0.10000E+01 volume 0.97638E-03 ppm1 5.674 ppm2 1.347 CV 1 OR { 3180} (( segid " " and resid 92 and name HA )) (( segid " " and resid 93 and name HG )) OR { 3180} (( segid " " and resid 92 and name HA )) (( segid " " and resid 68 and name HG2 )) OR { 3180} (( segid " " and resid 92 and name HA )) (( segid " " and resid 115 and name HG )) ASSI { 3181} (( segid " " and resid 92 and name HA )) ( segid " " and resid 90 and name HD1%) 4.100 2.100 1.900 peak 3181 spectrum 1 weight 0.10000E+01 volume 0.84405E-03 ppm1 5.674 ppm2 0.901 CV 1 OR { 3181} (( segid " " and resid 92 and name HA )) ( segid " " and resid 90 and name HD2%) OR { 3181} (( segid " " and resid 92 and name HA )) ( segid " " and resid 118 and name HD2%) ASSI { 3182} (( segid " " and resid 92 and name HA )) ( segid " " and resid 115 and name HD2%) 3.400 1.400 1.400 peak 3182 spectrum 1 weight 0.10000E+01 volume 0.20994E-02 ppm1 5.674 ppm2 0.786 CV 1 OR { 3182} (( segid " " and resid 92 and name HA )) ( segid " " and resid 93 and name HD1%) OR { 3182} (( segid " " and resid 92 and name HA )) ( segid " " and resid 142 and name HG1%) ASSI { 3186} ( segid " " and resid 120 and name HD1%) (( segid " " and resid 123 and name HB3 )) 4.000 2.000 2.000 peak 3186 spectrum 1 weight 0.10000E+01 volume 0.15230E-02 ppm1 0.913 ppm2 3.085 CV 1 OR { 3186} ( segid " " and resid 90 and name HD1%) (( segid " " and resid 87 and name HB2 )) ASSI { 3188} ( segid " " and resid 90 and name HD1%) (( segid " " and resid 93 and name HA )) 3.400 1.400 1.400 peak 3188 spectrum 1 weight 0.10000E+01 volume 0.15057E-02 ppm1 0.913 ppm2 5.265 CV 1 OR { 3188} ( segid " " and resid 90 and name HD1%) (( segid " " and resid 91 and name HA )) ASSI { 3190} ( segid " " and resid 90 and name HD1%) (( segid " " and resid 90 and name HN )) 4.100 2.100 1.900 peak 3190 spectrum 1 weight 0.10000E+01 volume 0.14425E-02 ppm1 0.913 ppm2 7.165 CV 1 OR { 3190} ( segid " " and resid 120 and name HD1%) (( segid " " and resid 121 and name HN )) ASSI { 3191} ( segid " " and resid 90 and name HD1%) (( segid " " and resid 92 and name HN )) 3.400 1.400 1.400 peak 3191 spectrum 1 weight 0.10000E+01 volume 0.19152E-02 ppm1 0.913 ppm2 8.187 CV 1 OR { 3191} ( segid " " and resid 120 and name HD1%) (( segid " " and resid 119 and name HN )) OR { 3191} ( segid " " and resid 90 and name HD1%) (( segid " " and resid 68 and name HN )) OR { 3191} ( segid " " and resid 120 and name HD1%) (( segid " " and resid 125 and name HN )) ASSI { 3199} ( segid " " and resid 66 and name HD1%) ( segid " " and resid 63 and name HD1%) 2.000 0.500 0.500 peak 3199 spectrum 1 weight 0.10000E+01 volume 0.19373E-01 ppm1 1.043 ppm2 0.747 CV 1 OR { 3199} ( segid " " and resid 66 and name HD1%) ( segid " " and resid 66 and name HD2%) ASSI { 3200} ( segid " " and resid 66 and name HD1%) ( segid " " and resid 69 and name HD2%) 2.100 0.500 0.500 peak 3200 spectrum 1 weight 0.10000E+01 volume 0.16470E-01 ppm1 1.043 ppm2 0.850 CV 1 OR { 3200} ( segid " " and resid 66 and name HD1%) ( segid " " and resid 90 and name HD2%) ASSI { 3201} ( segid " " and resid 66 and name HD1%) (( segid " " and resid 66 and name HG )) 2.000 0.500 0.500 peak 3201 spectrum 1 weight 0.10000E+01 volume 0.14348E-01 ppm1 1.043 ppm2 1.375 CV 1 OR { 3201} ( segid " " and resid 66 and name HD1%) (( segid " " and resid 69 and name HG )) ASSI { 3204} ( segid " " and resid 66 and name HD1%) (( segid " " and resid 69 and name HB2 )) 2.900 1.100 1.100 peak 3204 spectrum 1 weight 0.10000E+01 volume 0.25363E-02 ppm1 1.043 ppm2 2.003 CV 1 OR { 3204} ( segid " " and resid 66 and name HD1%) (( segid " " and resid 67 and name HB2 )) ASSI { 3208} ( segid " " and resid 66 and name HD1%) (( segid " " and resid 63 and name HA )) 3.100 3.100 2.900 peak 3208 spectrum 1 weight 0.10000E+01 volume 0.85893E-03 ppm1 1.043 ppm2 4.740 CV 1 OR { 3208} ( segid " " and resid 66 and name HD1%) (( segid " " and resid 70 and name HA )) ASSI { 3209} ( segid " " and resid 66 and name HD1%) (( segid " " and resid 87 and name HA )) 4.100 2.100 1.900 peak 3209 spectrum 1 weight 0.10000E+01 volume 0.63185E-03 ppm1 1.043 ppm2 5.105 CV 1 OR { 3209} ( segid " " and resid 66 and name HD1%) (( segid " " and resid 45 and name HA )) ASSI { 3212} ( segid " " and resid 66 and name HD1%) (( segid " " and resid 47 and name HN )) 4.400 2.400 1.600 peak 3212 spectrum 1 weight 0.10000E+01 volume 0.65630E-03 ppm1 1.043 ppm2 7.938 CV 1 OR { 3212} ( segid " " and resid 66 and name HD1%) (( segid " " and resid 62 and name HN )) ASSI { 3216} ( segid " " and resid 93 and name HD1%) ( segid " " and resid 83 and name HD2%) 3.200 1.300 1.300 peak 3216 spectrum 1 weight 0.10000E+01 volume 0.18586E-02 ppm1 0.765 ppm2 0.613 CV 1 OR { 3216} ( segid " " and resid 93 and name HD1%) ( segid " " and resid 118 and name HD1%) OR { 3216} ( segid " " and resid 93 and name HD1%) ( segid " " and resid 139 and name HD1%) ASSI { 3218} ( segid " " and resid 93 and name HD1%) (( segid " " and resid 90 and name HG )) 3.600 1.600 1.600 peak 3218 spectrum 1 weight 0.10000E+01 volume 0.11052E-02 ppm1 0.765 ppm2 1.711 CV 1 OR { 3218} ( segid " " and resid 93 and name HD1%) (( segid " " and resid 109 and name HG )) OR { 3218} ( segid " " and resid 93 and name HD1%) (( segid " " and resid 90 and name HB2 )) OR { 3218} ( segid " " and resid 93 and name HD1%) (( segid " " and resid 80 and name HB2 )) ASSI { 3219} ( segid " " and resid 93 and name HD1%) (( segid " " and resid 95 and name HB3 )) 3.800 1.800 1.800 peak 3219 spectrum 1 weight 0.10000E+01 volume 0.95909E-03 ppm1 0.765 ppm2 1.596 CV 1 OR { 3219} ( segid " " and resid 93 and name HD1%) (( segid " " and resid 80 and name HG )) ASSI { 3224} ( segid " " and resid 93 and name HD1%) (( segid " " and resid 94 and name HA )) 4.100 2.100 1.900 peak 3224 spectrum 1 weight 0.10000E+01 volume 0.70220E-03 ppm1 0.765 ppm2 5.398 CV 1 OR { 3224} ( segid " " and resid 93 and name HD1%) (( segid " " and resid 118 and name HA )) ASSI { 3227} ( segid " " and resid 93 and name HD2%) ( segid " " and resid 93 and name HD1%) 2.000 0.500 0.500 peak 3227 spectrum 1 weight 0.10000E+01 volume 0.30561E-01 ppm1 0.941 ppm2 0.774 CV 1 OR { 3227} ( segid " " and resid 93 and name HD2%) ( segid " " and resid 109 and name HD1%) OR { 3227} ( segid " " and resid 93 and name HD2%) ( segid " " and resid 83 and name HD1%) ASSI { 3228} ( segid " " and resid 93 and name HD2%) ( segid " " and resid 80 and name HD2%) 3.000 1.100 1.100 peak 3228 spectrum 1 weight 0.10000E+01 volume 0.28808E-02 ppm1 0.941 ppm2 0.637 CV 1 OR { 3228} ( segid " " and resid 93 and name HD2%) ( segid " " and resid 139 and name HD1%) ASSI { 3230} ( segid " " and resid 93 and name HD2%) (( segid " " and resid 90 and name HB3 )) 4.000 2.000 2.000 peak 3230 spectrum 1 weight 0.10000E+01 volume 0.88158E-03 ppm1 0.941 ppm2 1.578 CV 1 OR { 3230} ( segid " " and resid 93 and name HD2%) (( segid " " and resid 95 and name HB3 )) OR { 3230} ( segid " " and resid 93 and name HD2%) (( segid " " and resid 80 and name HG )) ASSI { 3231} ( segid " " and resid 93 and name HD2%) (( segid " " and resid 90 and name HG )) 3.600 1.600 1.600 peak 3231 spectrum 1 weight 0.10000E+01 volume 0.10837E-02 ppm1 0.941 ppm2 1.676 CV 1 OR { 3231} ( segid " " and resid 93 and name HD2%) (( segid " " and resid 118 and name HB2 )) OR { 3231} ( segid " " and resid 93 and name HD2%) (( segid " " and resid 71 and name HB3 )) OR { 3231} ( segid " " and resid 93 and name HD2%) (( segid " " and resid 76 and name HB )) ASSI { 3233} ( segid " " and resid 93 and name HD2%) (( segid " " and resid 83 and name HB2 )) 3.800 1.800 1.800 peak 3233 spectrum 1 weight 0.10000E+01 volume 0.12166E-02 ppm1 0.941 ppm2 1.866 CV 1 OR { 3233} ( segid " " and resid 93 and name HD2%) (( segid " " and resid 71 and name HB2 )) OR { 3233} ( segid " " and resid 93 and name HD2%) (( segid " " and resid 95 and name HB2 )) ASSI { 3235} ( segid " " and resid 93 and name HD2%) (( segid " " and resid 118 and name HA )) 3.800 1.800 1.800 peak 3235 spectrum 1 weight 0.10000E+01 volume 0.10431E-02 ppm1 0.941 ppm2 5.405 CV 1 OR { 3235} ( segid " " and resid 93 and name HD2%) (( segid " " and resid 94 and name HA )) ASSI { 3236} ( segid " " and resid 93 and name HD2%) (( segid " " and resid 69 and name HN )) 3.800 1.800 1.800 peak 3236 spectrum 1 weight 0.10000E+01 volume 0.14843E-02 ppm1 0.941 ppm2 8.310 CV 1 OR { 3236} ( segid " " and resid 93 and name HD2%) (( segid " " and resid 71 and name HN )) OR { 3236} ( segid " " and resid 93 and name HD2%) (( segid " " and resid 110 and name HN )) ASSI { 3238} ( segid " " and resid 93 and name HD2%) (( segid " " and resid 93 and name HN )) 3.900 1.900 1.900 peak 3238 spectrum 1 weight 0.10000E+01 volume 0.13388E-02 ppm1 0.941 ppm2 8.177 CV 1 OR { 3238} ( segid " " and resid 93 and name HD2%) (( segid " " and resid 119 and name HN )) ASSI { 3241} (( segid " " and resid 94 and name HA )) (( segid " " and resid 119 and name HB2 )) 2.800 1.000 1.000 peak 3241 spectrum 1 weight 0.10000E+01 volume 0.29578E-02 ppm1 5.415 ppm2 2.806 CV 1 OR { 3241} (( segid " " and resid 94 and name HA )) (( segid " " and resid 94 and name HB3 )) ASSI { 3244} (( segid " " and resid 94 and name HA )) (( segid " " and resid 94 and name HN )) 3.200 1.300 1.300 peak 3244 spectrum 1 weight 0.10000E+01 volume 0.12315E-02 ppm1 5.415 ppm2 8.476 CV 1 OR { 3244} (( segid " " and resid 94 and name HA )) (( segid " " and resid 96 and name HN )) ASSI { 3252} (( segid " " and resid 90 and name HA )) (( segid " " and resid 92 and name HN )) 3.900 1.900 1.900 peak 3252 spectrum 1 weight 0.10000E+01 volume 0.17447E-02 ppm1 3.979 ppm2 8.187 CV 1 OR { 3252} (( segid " " and resid 12 and name HA )) (( segid " " and resid 11 and name HN )) ASSI { 3253} ( segid " " and resid 95 and name HD1%) (( segid " " and resid 95 and name HA )) 3.700 1.800 1.800 peak 3253 spectrum 1 weight 0.10000E+01 volume 0.17936E-02 ppm1 0.751 ppm2 4.220 CV 1 OR { 3253} ( segid " " and resid 95 and name HD1%) (( segid " " and resid 100 and name HA )) ASSI { 3256} ( segid " " and resid 95 and name HD1%) (( segid " " and resid 93 and name HB2 )) 3.200 1.300 1.300 peak 3256 spectrum 1 weight 0.10000E+01 volume 0.37929E-02 ppm1 0.751 ppm2 1.993 CV 1 OR { 3256} ( segid " " and resid 71 and name HD1%) (( segid " " and resid 69 and name HB2 )) OR { 3256} ( segid " " and resid 71 and name HD1%) (( segid " " and resid 60 and name HG )) OR { 3256} ( segid " " and resid 71 and name HD1%) (( segid " " and resid 93 and name HB2 )) ASSI { 3257} ( segid " " and resid 71 and name HD1%) (( segid " " and resid 71 and name HB2 )) 2.600 0.900 0.900 peak 3257 spectrum 1 weight 0.10000E+01 volume 0.43180E-02 ppm1 0.751 ppm2 1.880 CV 1 OR { 3257} ( segid " " and resid 95 and name HD1%) (( segid " " and resid 95 and name HB2 )) ASSI { 3259} ( segid " " and resid 95 and name HD1%) (( segid " " and resid 95 and name HN )) 4.200 2.200 1.800 peak 3259 spectrum 1 weight 0.10000E+01 volume 0.84109E-03 ppm1 0.751 ppm2 8.939 CV 1 OR { 3259} ( segid " " and resid 71 and name HD1%) (( segid " " and resid 76 and name HN )) ASSI { 3261} ( segid " " and resid 142 and name HG1%) (( segid " " and resid 115 and name HB3 )) 2.100 0.600 0.600 peak 3261 spectrum 1 weight 0.10000E+01 volume 0.17143E-01 ppm1 0.747 ppm2 1.391 CV 1 OR { 3261} ( segid " " and resid 139 and name HD2%) (( segid " " and resid 109 and name HB3 )) OR { 3261} ( segid " " and resid 95 and name HD2%) (( segid " " and resid 93 and name HG )) OR { 3261} ( segid " " and resid 95 and name HD2%) (( segid " " and resid 100 and name HG12)) ASSI { 3262} ( segid " " and resid 139 and name HD2%) (( segid " " and resid 110 and name HB3 )) 2.400 0.700 0.700 peak 3262 spectrum 1 weight 0.10000E+01 volume 0.12703E-01 ppm1 0.747 ppm2 1.895 CV 1 OR { 3262} ( segid " " and resid 95 and name HD2%) (( segid " " and resid 95 and name HB2 )) OR { 3262} ( segid " " and resid 139 and name HD2%) (( segid " " and resid 139 and name HB2 )) ASSI { 3271} (( segid " " and resid 100 and name HB )) ( segid " " and resid 100 and name HG2%) 2.200 0.600 0.600 peak 3271 spectrum 1 weight 0.10000E+01 volume 0.71172E-02 ppm1 2.065 ppm2 0.776 CV 1 OR { 3271} (( segid " " and resid 100 and name HB )) ( segid " " and resid 106 and name HG2%) ASSI { 3273} (( segid " " and resid 100 and name HB )) (( segid " " and resid 100 and name HG12)) 2.500 0.800 0.800 peak 3273 spectrum 1 weight 0.10000E+01 volume 0.32719E-02 ppm1 2.065 ppm2 1.390 CV 1 OR { 3273} (( segid " " and resid 100 and name HB )) ( segid " " and resid 105 and name HG2%) ASSI { 3274} (( segid " " and resid 100 and name HB )) (( segid " " and resid 123 and name HA )) 4.300 2.300 1.700 peak 3274 spectrum 1 weight 0.10000E+01 volume 0.86670E-03 ppm1 2.065 ppm2 4.687 CV 1 OR { 3274} (( segid " " and resid 100 and name HB )) (( segid " " and resid 99 and name HA )) ASSI { 3280} ( segid " " and resid 100 and name HG2%) (( segid " " and resid 103 and name HA )) 4.000 2.000 2.000 peak 3280 spectrum 1 weight 0.10000E+01 volume 0.98174E-03 ppm1 0.777 ppm2 4.010 CV 1 OR { 3280} ( segid " " and resid 100 and name HG2%) (( segid " " and resid 105 and name HA )) ASSI { 3282} ( segid " " and resid 100 and name HG2%) (( segid " " and resid 123 and name HB2 )) 4.300 2.300 1.700 peak 3282 spectrum 1 weight 0.10000E+01 volume 0.10390E-02 ppm1 0.777 ppm2 3.613 CV 1 OR { 3282} ( segid " " and resid 100 and name HG2%) (( segid " " and resid 131 and name HB2 )) ASSI { 3283} (( segid " " and resid 102 and name HA )) ( segid " " and resid 125 and name HG1%) 3.400 1.500 1.500 peak 3283 spectrum 1 weight 0.10000E+01 volume 0.83453E-03 ppm1 4.871 ppm2 0.826 CV 1 OR { 3283} (( segid " " and resid 114 and name HA )) ( segid " " and resid 115 and name HD2%) ASSI { 3290} ( segid " " and resid 90 and name HD2%) (( segid " " and resid 90 and name HG )) 1.900 0.400 0.400 peak 3290 spectrum 1 weight 0.10000E+01 volume 0.25286E-01 ppm1 0.879 ppm2 1.707 CV 1 OR { 3290} ( segid " " and resid 103 and name HD1%) (( segid " " and resid 103 and name HG )) OR { 3290} ( segid " " and resid 103 and name HD1%) (( segid " " and resid 103 and name HB2 )) ASSI { 3296} ( segid " " and resid 90 and name HD2%) (( segid " " and resid 90 and name HA )) 2.800 1.000 1.000 peak 3296 spectrum 1 weight 0.10000E+01 volume 0.90783E-02 ppm1 0.867 ppm2 3.977 CV 1 OR { 3296} ( segid " " and resid 103 and name HD1%) (( segid " " and resid 103 and name HA )) ASSI { 3297} ( segid " " and resid 90 and name HD2%) (( segid " " and resid 93 and name HA )) 3.300 1.400 1.400 peak 3297 spectrum 1 weight 0.10000E+01 volume 0.13602E-02 ppm1 0.867 ppm2 5.270 CV 1 OR { 3297} ( segid " " and resid 90 and name HD2%) (( segid " " and resid 91 and name HA )) ASSI { 3299} ( segid " " and resid 90 and name HD2%) (( segid " " and resid 92 and name HN )) 3.000 1.100 1.100 peak 3299 spectrum 1 weight 0.10000E+01 volume 0.35920E-02 ppm1 0.868 ppm2 8.182 CV 1 OR { 3299} ( segid " " and resid 90 and name HD2%) (( segid " " and resid 68 and name HN )) OR { 3299} ( segid " " and resid 90 and name HD2%) (( segid " " and resid 93 and name HN )) ASSI { 3300} ( segid " " and resid 90 and name HD2%) (( segid " " and resid 69 and name HN )) 3.200 1.200 1.200 peak 3300 spectrum 1 weight 0.10000E+01 volume 0.37112E-02 ppm1 0.867 ppm2 8.316 CV 1 OR { 3300} ( segid " " and resid 103 and name HD1%) (( segid " " and resid 104 and name HN )) ASSI { 3303} ( segid " " and resid 90 and name HD2%) (( segid " " and resid 69 and name HB2 )) 2.600 0.800 0.800 peak 3303 spectrum 1 weight 0.10000E+01 volume 0.53334E-02 ppm1 0.867 ppm2 2.001 CV 1 OR { 3303} ( segid " " and resid 90 and name HD2%) (( segid " " and resid 93 and name HB2 )) ASSI { 3306} ( segid " " and resid 90 and name HD2%) (( segid " " and resid 69 and name HB3 )) 2.500 0.800 0.800 peak 3306 spectrum 1 weight 0.10000E+01 volume 0.95017E-02 ppm1 0.867 ppm2 1.367 CV 1 OR { 3306} ( segid " " and resid 90 and name HD2%) (( segid " " and resid 69 and name HG )) OR { 3306} ( segid " " and resid 90 and name HD2%) (( segid " " and resid 93 and name HG )) OR { 3306} ( segid " " and resid 90 and name HD2%) (( segid " " and resid 115 and name HG )) ASSI { 3310} (( segid " " and resid 103 and name HG )) (( segid " " and resid 102 and name HA )) 4.000 2.000 2.000 peak 3310 spectrum 1 weight 0.10000E+01 volume 0.10104E-02 ppm1 1.700 ppm2 4.868 CV 1 OR { 3310} (( segid " " and resid 138 and name HG )) (( segid " " and resid 139 and name HA )) OR { 3310} (( segid " " and resid 90 and name HG )) (( segid " " and resid 67 and name HA )) ASSI { 3311} (( segid " " and resid 90 and name HG )) (( segid " " and resid 90 and name HA )) 2.800 1.000 1.000 peak 3311 spectrum 1 weight 0.10000E+01 volume 0.27855E-02 ppm1 1.700 ppm2 3.973 CV 1 OR { 3311} (( segid " " and resid 103 and name HG )) (( segid " " and resid 103 and name HA )) OR { 3311} (( segid " " and resid 138 and name HG )) (( segid " " and resid 107 and name HA )) ASSI { 3314} ( segid " " and resid 90 and name HD2%) (( segid " " and resid 67 and name HA )) 3.400 1.500 1.500 peak 3314 spectrum 1 weight 0.10000E+01 volume 0.45457E-02 ppm1 0.867 ppm2 4.833 CV 1 OR { 3314} ( segid " " and resid 103 and name HD1%) (( segid " " and resid 102 and name HA )) ASSI { 3316} (( segid " " and resid 105 and name HB )) ( segid " " and resid 100 and name HG2%) 2.300 0.700 0.700 peak 3316 spectrum 1 weight 0.10000E+01 volume 0.49344E-02 ppm1 4.253 ppm2 0.784 CV 1 OR { 3316} (( segid " " and resid 105 and name HB )) ( segid " " and resid 106 and name HG2%) OR { 3316} (( segid " " and resid 105 and name HB )) ( segid " " and resid 125 and name HG1%) ASSI { 3325} (( segid " " and resid 105 and name HA )) ( segid " " and resid 106 and name HG2%) 4.600 2.600 1.400 peak 3325 spectrum 1 weight 0.10000E+01 volume 0.83869E-03 ppm1 4.020 ppm2 0.790 CV 1 OR { 3325} (( segid " " and resid 105 and name HA )) ( segid " " and resid 100 and name HG2%) OR { 3325} (( segid " " and resid 105 and name HA )) ( segid " " and resid 80 and name HD1%) OR { 3325} (( segid " " and resid 105 and name HA )) ( segid " " and resid 106 and name HD1%) ASSI { 3327} ( segid " " and resid 105 and name HG2%) ( segid " " and resid 100 and name HG2%) 2.500 0.800 0.800 peak 3327 spectrum 1 weight 0.10000E+01 volume 0.13436E-01 ppm1 1.365 ppm2 0.791 CV 1 OR { 3327} ( segid " " and resid 105 and name HG2%) ( segid " " and resid 106 and name HG2%) OR { 3327} ( segid " " and resid 105 and name HG2%) ( segid " " and resid 125 and name HG1%) ASSI { 3340} ( segid " " and resid 106 and name HG2%) (( segid " " and resid 105 and name HB )) 3.400 1.400 1.400 peak 3340 spectrum 1 weight 0.10000E+01 volume 0.15170E-02 ppm1 0.777 ppm2 4.215 CV 1 OR { 3340} ( segid " " and resid 106 and name HG2%) (( segid " " and resid 100 and name HA )) ASSI { 3341} ( segid " " and resid 106 and name HG2%) (( segid " " and resid 103 and name HA )) 4.000 2.000 2.000 peak 3341 spectrum 1 weight 0.10000E+01 volume 0.19832E-02 ppm1 0.777 ppm2 3.971 CV 1 OR { 3341} ( segid " " and resid 106 and name HG2%) (( segid " " and resid 107 and name HA )) ASSI { 3345} (( segid " " and resid 107 and name HA )) (( segid " " and resid 138 and name HG )) 3.600 1.600 1.600 peak 3345 spectrum 1 weight 0.10000E+01 volume 0.15671E-02 ppm1 3.948 ppm2 1.697 CV 1 OR { 3345} (( segid " " and resid 107 and name HA )) (( segid " " and resid 110 and name HG2 )) OR { 3345} (( segid " " and resid 107 and name HA )) (( segid " " and resid 138 and name HB3 )) ASSI { 3346} (( segid " " and resid 107 and name HA )) (( segid " " and resid 103 and name HB3 )) 3.600 1.600 1.600 peak 3346 spectrum 1 weight 0.10000E+01 volume 0.12452E-02 ppm1 3.948 ppm2 1.514 CV 1 OR { 3346} (( segid " " and resid 107 and name HA )) (( segid " " and resid 110 and name HG3 )) ASSI { 3348} (( segid " " and resid 107 and name HA )) ( segid " " and resid 138 and name HD1%) 2.900 1.100 1.100 peak 3348 spectrum 1 weight 0.10000E+01 volume 0.46434E-02 ppm1 3.948 ppm2 0.784 CV 1 OR { 3348} (( segid " " and resid 107 and name HA )) ( segid " " and resid 109 and name HD1%) OR { 3348} (( segid " " and resid 107 and name HA )) ( segid " " and resid 106 and name HD1%) ASSI { 3361} (( segid " " and resid 107 and name HB3 )) (( segid " " and resid 107 and name HA )) 2.900 1.000 1.000 peak 3361 spectrum 1 weight 0.10000E+01 volume 0.40200E-02 ppm1 2.176 ppm2 3.945 CV 1 OR { 3361} (( segid " " and resid 107 and name HB3 )) (( segid " " and resid 104 and name HB3 )) ASSI { 3374} (( segid " " and resid 42 and name HG2 )) (( segid " " and resid 42 and name HA )) 3.100 1.200 1.200 peak 3374 spectrum 1 weight 0.10000E+01 volume 0.27396E-02 ppm1 2.298 ppm2 4.192 CV 1 OR { 3374} (( segid " " and resid 133 and name HG3 )) (( segid " " and resid 130 and name HA )) OR { 3374} (( segid " " and resid 107 and name HG3 )) (( segid " " and resid 104 and name HA )) ASSI { 3400} (( segid " " and resid 62 and name HB3 )) (( segid " " and resid 86 and name HA )) 4.700 2.800 1.300 peak 3400 spectrum 1 weight 0.10000E+01 volume 0.79399E-03 ppm1 1.685 ppm2 4.335 CV 1 OR { 3400} (( segid " " and resid 62 and name HB3 )) (( segid " " and resid 64 and name HA )) ASSI { 3401} (( segid " " and resid 62 and name HB3 )) (( segid " " and resid 61 and name HA )) 3.800 1.800 1.800 peak 3401 spectrum 1 weight 0.10000E+01 volume 0.95909E-03 ppm1 1.685 ppm2 4.626 CV 1 OR { 3401} (( segid " " and resid 62 and name HB3 )) (( segid " " and resid 39 and name HA )) ASSI { 3407} (( segid " " and resid 62 and name HB2 )) (( segid " " and resid 39 and name HB3 )) 3.100 1.200 1.200 peak 3407 spectrum 1 weight 0.10000E+01 volume 0.13889E-02 ppm1 1.887 ppm2 2.909 CV 1 OR { 3407} (( segid " " and resid 62 and name HB2 )) (( segid " " and resid 86 and name HE3 )) ASSI { 3413} (( segid " " and resid 138 and name HB2 )) ( segid " " and resid 138 and name HD1%) 2.600 0.900 0.900 peak 3413 spectrum 1 weight 0.10000E+01 volume 0.46810E-02 ppm1 1.780 ppm2 0.783 CV 1 OR { 3413} (( segid " " and resid 63 and name HB2 )) ( segid " " and resid 66 and name HD2%) ASSI { 3414} (( segid " " and resid 138 and name HB2 )) ( segid " " and resid 138 and name HD2%) 3.000 1.200 1.200 peak 3414 spectrum 1 weight 0.10000E+01 volume 0.31837E-02 ppm1 1.780 ppm2 0.932 CV 1 OR { 3414} (( segid " " and resid 63 and name HB2 )) ( segid " " and resid 63 and name HD2%) ASSI { 3446} (( segid " " and resid 25 and name HB2 )) (( segid " " and resid 26 and name HN )) 3.900 1.900 1.900 peak 3446 spectrum 1 weight 0.10000E+01 volume 0.13388E-02 ppm1 2.539 ppm2 8.780 CV 1 OR { 3446} (( segid " " and resid 151 and name HB3 )) (( segid " " and resid 153 and name HN )) ASSI { 3457} (( segid " " and resid 110 and name HB3 )) (( segid " " and resid 110 and name HG2 )) 2.300 0.700 0.700 peak 3457 spectrum 1 weight 0.10000E+01 volume 0.85477E-02 ppm1 1.939 ppm2 1.746 CV 1 OR { 3457} (( segid " " and resid 153 and name HB3 )) (( segid " " and resid 153 and name HD2 )) OR { 3457} (( segid " " and resid 153 and name HB3 )) (( segid " " and resid 153 and name HD3 )) OR { 3457} (( segid " " and resid 110 and name HB3 )) (( segid " " and resid 110 and name HD3 )) ASSI { 3458} (( segid " " and resid 153 and name HB3 )) (( segid " " and resid 153 and name HG3 )) 2.500 0.800 0.800 peak 3458 spectrum 1 weight 0.10000E+01 volume 0.69147E-02 ppm1 1.939 ppm2 1.494 CV 1 OR { 3458} (( segid " " and resid 153 and name HB3 )) (( segid " " and resid 153 and name HG2 )) OR { 3458} (( segid " " and resid 110 and name HB3 )) (( segid " " and resid 110 and name HG3 )) ASSI { 3461} (( segid " " and resid 86 and name HG2 )) (( segid " " and resid 86 and name HA )) 3.200 1.300 1.300 peak 3461 spectrum 1 weight 0.10000E+01 volume 0.21376E-02 ppm1 1.476 ppm2 4.329 CV 1 OR { 3461} (( segid " " and resid 62 and name HG3 )) (( segid " " and resid 86 and name HA )) ASSI { 3462} (( segid " " and resid 62 and name HG2 )) (( segid " " and resid 64 and name HA )) 3.600 1.600 1.600 peak 3462 spectrum 1 weight 0.10000E+01 volume 0.11659E-02 ppm1 1.531 ppm2 4.329 CV 1 OR { 3462} (( segid " " and resid 62 and name HG2 )) (( segid " " and resid 86 and name HA )) ASSI { 3470} (( segid " " and resid 153 and name HG3 )) (( segid " " and resid 153 and name HB2 )) 2.400 0.700 0.700 peak 3470 spectrum 1 weight 0.10000E+01 volume 0.50417E-02 ppm1 1.467 ppm2 2.106 CV 1 OR { 3470} (( segid " " and resid 86 and name HG2 )) (( segid " " and resid 85 and name HB2 )) ASSI { 3478} (( segid " " and resid 86 and name HG2 )) (( segid " " and resid 86 and name HE2 )) 2.800 1.000 1.000 peak 3478 spectrum 1 weight 0.10000E+01 volume 0.35270E-02 ppm1 1.469 ppm2 3.041 CV 1 OR { 3478} (( segid " " and resid 153 and name HG3 )) (( segid " " and resid 153 and name HE2 )) OR { 3478} (( segid " " and resid 153 and name HG3 )) (( segid " " and resid 153 and name HE3 )) ASSI { 3518} (( segid " " and resid 42 and name HG3 )) (( segid " " and resid 42 and name HN )) 3.100 1.200 1.200 peak 3518 spectrum 1 weight 0.10000E+01 volume 0.17471E-02 ppm1 2.227 ppm2 7.742 CV 1 OR { 3518} (( segid " " and resid 154 and name HG2 )) (( segid " " and resid 155 and name HN )) ASSI { 3519} (( segid " " and resid 154 and name HG2 )) ( segid " " and resid 148 and name HE% ) 3.000 3.000 3.000 peak 3519 spectrum 1 weight 0.10000E+01 volume 0.16744E-02 ppm1 2.227 ppm2 6.916 CV 1 OR { 3519} (( segid " " and resid 42 and name HG3 )) (( segid " " and resid 44 and name HN )) ASSI { 3528} ( segid " " and resid 155 and name HB% ) (( segid " " and resid 154 and name HG3 )) 2.900 2.900 3.100 peak 3528 spectrum 1 weight 0.10000E+01 volume 0.80947E-03 ppm1 0.494 ppm2 2.086 CV 1 OR { 3528} ( segid " " and resid 155 and name HB% ) (( segid " " and resid 153 and name HB2 )) ASSI { 3535} ( segid " " and resid 155 and name HB% ) (( segid " " and resid 156 and name HA )) 4.000 2.000 2.000 peak 3535 spectrum 1 weight 0.10000E+01 volume 0.71648E-03 ppm1 0.494 ppm2 4.391 CV 1 OR { 3535} ( segid " " and resid 155 and name HB% ) (( segid " " and resid 157 and name HA )) ASSI { 3567} (( segid " " and resid 161 and name HG3 )) ( segid " " and resid 160 and name HG2%) 2.900 1.100 1.100 peak 3567 spectrum 1 weight 0.10000E+01 volume 0.13430E-02 ppm1 2.215 ppm2 0.876 CV 1 OR { 3567} (( segid " " and resid 161 and name HG2 )) ( segid " " and resid 160 and name HG1%) OR { 3567} (( segid " " and resid 161 and name HG3 )) ( segid " " and resid 160 and name HG1%) OR { 3567} (( segid " " and resid 161 and name HG3 )) ( segid " " and resid 164 and name HG2%) OR { 3567} (( segid " " and resid 161 and name HG2 )) ( segid " " and resid 164 and name HG2%) OR { 3567} (( segid " " and resid 161 and name HG3 )) ( segid " " and resid 164 and name HG1%) OR { 3567} (( segid " " and resid 161 and name HG2 )) ( segid " " and resid 164 and name HG1%) OR { 3567} (( segid " " and resid 35 and name HG2 )) ( segid " " and resid 7 and name HG2%) ASSI { 3589} ( segid " " and resid 145 and name HD1%) (( segid " " and resid 145 and name HB3 )) 2.200 0.600 0.600 peak 3589 spectrum 1 weight 0.10000E+01 volume 0.10515E-01 ppm1 -0.080 ppm2 0.440 CV 1 OR { 3589} ( segid " " and resid 145 and name HD1%) ( segid " " and resid 135 and name HG2%) ASSI { 3590} ( segid " " and resid 145 and name HD1%) ( segid " " and resid 145 and name HD2%) 2.100 0.600 0.600 peak 3590 spectrum 1 weight 0.10000E+01 volume 0.17185E-01 ppm1 -0.080 ppm2 0.702 CV 1 OR { 3590} ( segid " " and resid 145 and name HD1%) ( segid " " and resid 135 and name HG1%) ASSI { 3594} ( segid " " and resid 145 and name HD1%) (( segid " " and resid 145 and name HB2 )) 2.200 0.600 0.600 peak 3594 spectrum 1 weight 0.10000E+01 volume 0.93108E-02 ppm1 -0.080 ppm2 1.470 CV 1 OR { 3594} ( segid " " and resid 145 and name HD1%) (( segid " " and resid 135 and name HB )) ASSI { 3599} ( segid " " and resid 145 and name HD1%) (( segid " " and resid 146 and name HB2 )) 3.800 1.800 1.800 peak 3599 spectrum 1 weight 0.10000E+01 volume 0.81484E-03 ppm1 -0.080 ppm2 2.880 CV 1 OR { 3599} ( segid " " and resid 145 and name HD1%) (( segid " " and resid 148 and name HB2 )) OR { 3599} ( segid " " and resid 145 and name HD1%) (( segid " " and resid 148 and name HB3 )) ASSI { 3604} ( segid " " and resid 145 and name HD1%) (( segid " " and resid 136 and name HN )) 3.000 1.100 1.100 peak 3604 spectrum 1 weight 0.10000E+01 volume 0.16625E-02 ppm1 -0.080 ppm2 8.178 CV 1 OR { 3604} ( segid " " and resid 145 and name HD1%) (( segid " " and resid 132 and name HN )) ASSI { 3627} (( segid " " and resid 145 and name HA )) (( segid " " and resid 145 and name HN )) 3.200 1.200 1.200 peak 3627 spectrum 1 weight 0.10000E+01 volume 0.13656E-02 ppm1 5.552 ppm2 8.993 CV 1 OR { 3627} (( segid " " and resid 149 and name HA )) (( segid " " and resid 145 and name HN )) ASSI { 3643} (( segid " " and resid 67 and name HB2 )) ( segid " " and resid 90 and name HD2%) 4.000 2.000 2.000 peak 3643 spectrum 1 weight 0.10000E+01 volume 0.10527E-02 ppm1 1.985 ppm2 0.870 CV 1 OR { 3643} (( segid " " and resid 67 and name HB3 )) ( segid " " and resid 90 and name HD2%) OR { 3643} (( segid " " and resid 116 and name HB3 )) ( segid " " and resid 115 and name HD1%) OR { 3643} (( segid " " and resid 116 and name HB2 )) ( segid " " and resid 115 and name HD1%) OR { 3643} (( segid " " and resid 67 and name HB3 )) ( segid " " and resid 69 and name HD2%) OR { 3643} (( segid " " and resid 67 and name HB2 )) ( segid " " and resid 69 and name HD2%) ASSI { 3644} (( segid " " and resid 67 and name HB3 )) ( segid " " and resid 66 and name HD2%) 4.400 2.400 1.600 peak 3644 spectrum 1 weight 0.10000E+01 volume 0.94000E-03 ppm1 1.985 ppm2 0.757 CV 1 OR { 3644} (( segid " " and resid 67 and name HB2 )) ( segid " " and resid 66 and name HD2%) OR { 3644} (( segid " " and resid 116 and name HB3 )) ( segid " " and resid 142 and name HG1%) OR { 3644} (( segid " " and resid 116 and name HB2 )) ( segid " " and resid 142 and name HG1%) ASSI { 3645} (( segid " " and resid 116 and name HB2 )) (( segid " " and resid 143 and name HB3 )) 3.700 1.700 1.700 peak 3645 spectrum 1 weight 0.10000E+01 volume 0.15689E-02 ppm1 1.985 ppm2 1.418 CV 1 OR { 3645} (( segid " " and resid 116 and name HB3 )) (( segid " " and resid 143 and name HB3 )) OR { 3645} (( segid " " and resid 116 and name HB3 )) (( segid " " and resid 91 and name HG3 )) OR { 3645} (( segid " " and resid 116 and name HB2 )) (( segid " " and resid 91 and name HG3 )) OR { 3645} (( segid " " and resid 67 and name HB2 )) (( segid " " and resid 66 and name HB3 )) ASSI { 3646} (( segid " " and resid 67 and name HB3 )) (( segid " " and resid 66 and name HA )) 4.200 2.200 1.800 peak 3646 spectrum 1 weight 0.10000E+01 volume 0.10837E-02 ppm1 1.985 ppm2 4.127 CV 1 OR { 3646} (( segid " " and resid 116 and name HB3 )) (( segid " " and resid 115 and name HA )) OR { 3646} (( segid " " and resid 116 and name HB2 )) (( segid " " and resid 115 and name HA )) OR { 3646} (( segid " " and resid 67 and name HB2 )) (( segid " " and resid 66 and name HA )) ASSI { 3651} (( segid " " and resid 67 and name HG3 )) (( segid " " and resid 67 and name HA )) 3.400 1.400 1.400 peak 3651 spectrum 1 weight 0.10000E+01 volume 0.15039E-02 ppm1 1.645 ppm2 4.836 CV 1 OR { 3651} (( segid " " and resid 116 and name HG3 )) (( segid " " and resid 116 and name HA )) ASSI { 3652} (( segid " " and resid 91 and name HG2 )) (( segid " " and resid 92 and name HN )) 4.300 2.300 1.700 peak 3652 spectrum 1 weight 0.10000E+01 volume 0.62944E-03 ppm1 1.778 ppm2 8.190 CV 1 OR { 3652} (( segid " " and resid 67 and name HG2 )) (( segid " " and resid 68 and name HN )) ASSI { 3661} (( segid " " and resid 67 and name HG3 )) (( segid " " and resid 68 and name HN )) 4.300 2.300 1.700 peak 3661 spectrum 1 weight 0.10000E+01 volume 0.44289E-03 ppm1 1.645 ppm2 8.158 CV 1 OR { 3661} (( segid " " and resid 116 and name HG3 )) (( segid " " and resid 144 and name HN )) ASSI { 3663} (( segid " " and resid 68 and name HA )) (( segid " " and resid 68 and name HN )) 2.800 1.000 1.000 peak 3663 spectrum 1 weight 0.10000E+01 volume 0.23080E-02 ppm1 5.479 ppm2 8.180 CV 1 OR { 3663} (( segid " " and resid 68 and name HA )) (( segid " " and resid 92 and name HN )) ASSI { 3671} (( segid " " and resid 90 and name HB3 )) (( segid " " and resid 92 and name HN )) 4.300 2.300 1.700 peak 3671 spectrum 1 weight 0.10000E+01 volume 0.77310E-03 ppm1 1.551 ppm2 8.187 CV 1 OR { 3671} (( segid " " and resid 95 and name HB3 )) (( segid " " and resid 119 and name HN )) OR { 3671} (( segid " " and resid 90 and name HB3 )) (( segid " " and resid 68 and name HN )) OR { 3671} (( segid " " and resid 44 and name HB3 )) (( segid " " and resid 68 and name HN )) ASSI { 3672} (( segid " " and resid 95 and name HB3 )) (( segid " " and resid 95 and name HN )) 3.900 1.900 1.900 peak 3672 spectrum 1 weight 0.10000E+01 volume 0.11379E-02 ppm1 1.551 ppm2 8.906 CV 1 OR { 3672} (( segid " " and resid 90 and name HB3 )) (( segid " " and resid 91 and name HN )) ASSI { 3677} (( segid " " and resid 89 and name HB2 )) (( segid " " and resid 88 and name HG3 )) 4.400 2.400 1.600 peak 3677 spectrum 1 weight 0.10000E+01 volume 0.71172E-03 ppm1 2.797 ppm2 1.836 CV 1 OR { 3677} (( segid " " and resid 89 and name HB2 )) (( segid " " and resid 66 and name HB2 )) OR { 3677} (( segid " " and resid 129 and name HB2 )) (( segid " " and resid 128 and name HB2 )) ASSI { 3678} (( segid " " and resid 129 and name HB2 )) (( segid " " and resid 128 and name HB3 )) 4.200 2.200 1.800 peak 3678 spectrum 1 weight 0.10000E+01 volume 0.72244E-03 ppm1 2.797 ppm2 1.576 CV 1 OR { 3678} (( segid " " and resid 89 and name HB2 )) (( segid " " and resid 90 and name HB3 )) ASSI { 3682} (( segid " " and resid 89 and name HB2 )) (( segid " " and resid 89 and name HN )) 2.400 0.700 0.700 peak 3682 spectrum 1 weight 0.10000E+01 volume 0.52026E-02 ppm1 2.797 ppm2 8.682 CV 1 OR { 3682} (( segid " " and resid 129 and name HB2 )) (( segid " " and resid 129 and name HN )) ASSI { 3690} (( segid " " and resid 117 and name HB2 )) (( segid " " and resid 144 and name HN )) 4.200 2.200 1.800 peak 3690 spectrum 1 weight 0.10000E+01 volume 0.68311E-03 ppm1 3.731 ppm2 8.144 CV 1 OR { 3690} (( segid " " and resid 117 and name HB2 )) (( segid " " and resid 93 and name HN )) ASSI { 3693} (( segid " " and resid 117 and name HB3 )) (( segid " " and resid 93 and name HN )) 4.300 2.300 1.700 peak 3693 spectrum 1 weight 0.10000E+01 volume 0.72244E-03 ppm1 3.630 ppm2 8.158 CV 1 OR { 3693} (( segid " " and resid 117 and name HB3 )) (( segid " " and resid 144 and name HN )) ASSI { 3697} (( segid " " and resid 117 and name HA )) (( segid " " and resid 118 and name HB2 )) 4.000 2.000 2.000 peak 3697 spectrum 1 weight 0.10000E+01 volume 0.80351E-03 ppm1 5.807 ppm2 1.684 CV 1 OR { 3697} (( segid " " and resid 117 and name HA )) (( segid " " and resid 143 and name HB2 )) ASSI { 3701} (( segid " " and resid 117 and name HB3 )) (( segid " " and resid 92 and name HB3 )) 3.200 3.200 2.800 peak 3701 spectrum 1 weight 0.10000E+01 volume 0.54987E-03 ppm1 3.630 ppm2 3.033 CV 1 OR { 3701} (( segid " " and resid 117 and name HB3 )) (( segid " " and resid 91 and name HE2 )) OR { 3701} (( segid " " and resid 117 and name HB3 )) (( segid " " and resid 121 and name HB3 )) ASSI { 3707} (( segid " " and resid 118 and name HB2 )) ( segid " " and resid 145 and name HD2%) 2.700 0.900 0.900 peak 3707 spectrum 1 weight 0.10000E+01 volume 0.31145E-02 ppm1 1.667 ppm2 0.729 CV 1 OR { 3707} (( segid " " and resid 118 and name HB2 )) ( segid " " and resid 142 and name HG1%) OR { 3707} (( segid " " and resid 118 and name HB2 )) ( segid " " and resid 142 and name HG2%) ASSI { 3712} (( segid " " and resid 118 and name HB3 )) ( segid " " and resid 142 and name HG1%) 3.000 1.100 1.100 peak 3712 spectrum 1 weight 0.10000E+01 volume 0.30114E-02 ppm1 1.095 ppm2 0.733 CV 1 OR { 3712} (( segid " " and resid 118 and name HB3 )) ( segid " " and resid 142 and name HG2%) OR { 3712} (( segid " " and resid 118 and name HB3 )) ( segid " " and resid 145 and name HD2%) ASSI { 3714} ( segid " " and resid 118 and name HD1%) ( segid " " and resid 109 and name HD1%) 2.100 0.500 0.500 peak 3714 spectrum 1 weight 0.10000E+01 volume 0.19832E-01 ppm1 0.593 ppm2 0.771 CV 1 OR { 3714} ( segid " " and resid 118 and name HD1%) ( segid " " and resid 142 and name HG1%) OR { 3714} ( segid " " and resid 118 and name HD1%) ( segid " " and resid 106 and name HD1%) ASSI { 3720} ( segid " " and resid 118 and name HD1%) (( segid " " and resid 106 and name HB )) 3.500 1.600 1.600 peak 3720 spectrum 1 weight 0.10000E+01 volume 0.17340E-02 ppm1 0.593 ppm2 2.154 CV 1 OR { 3720} ( segid " " and resid 118 and name HD1%) (( segid " " and resid 142 and name HB )) OR { 3720} ( segid " " and resid 118 and name HD1%) (( segid " " and resid 109 and name HB2 )) ASSI { 3725} ( segid " " and resid 118 and name HD1%) (( segid " " and resid 119 and name HN )) 4.100 2.100 1.900 peak 3725 spectrum 1 weight 0.10000E+01 volume 0.99427E-03 ppm1 0.593 ppm2 8.179 CV 1 OR { 3725} ( segid " " and resid 118 and name HD1%) (( segid " " and resid 93 and name HN )) ASSI { 3728} (( segid " " and resid 98 and name HA )) (( segid " " and resid 98 and name HB3 )) 2.900 1.000 1.000 peak 3728 spectrum 1 weight 0.10000E+01 volume 0.22216E-02 ppm1 5.396 ppm2 2.784 CV 1 OR { 3728} (( segid " " and resid 118 and name HA )) (( segid " " and resid 119 and name HB2 )) ASSI { 3730} (( segid " " and resid 98 and name HA )) (( segid " " and resid 75 and name HA )) 3.500 1.500 1.500 peak 3730 spectrum 1 weight 0.10000E+01 volume 0.14789E-02 ppm1 5.396 ppm2 4.663 CV 1 OR { 3730} (( segid " " and resid 98 and name HA )) (( segid " " and resid 99 and name HA )) ASSI { 3734} (( segid " " and resid 98 and name HA )) (( segid " " and resid 76 and name HN )) 3.500 1.500 1.500 peak 3734 spectrum 1 weight 0.10000E+01 volume 0.12875E-02 ppm1 5.396 ppm2 8.910 CV 1 OR { 3734} (( segid " " and resid 98 and name HA )) (( segid " " and resid 97 and name HN )) OR { 3734} (( segid " " and resid 118 and name HA )) (( segid " " and resid 95 and name HN )) ASSI { 3739} (( segid " " and resid 118 and name HA )) (( segid " " and resid 93 and name HB2 )) 3.400 1.400 1.400 peak 3739 spectrum 1 weight 0.10000E+01 volume 0.13066E-02 ppm1 5.403 ppm2 2.003 CV 1 OR { 3739} (( segid " " and resid 98 and name HA )) (( segid " " and resid 124 and name HB3 )) OR { 3739} (( segid " " and resid 98 and name HA )) (( segid " " and resid 124 and name HB2 )) OR { 3739} (( segid " " and resid 118 and name HA )) (( segid " " and resid 116 and name HB2 )) ASSI { 3740} (( segid " " and resid 118 and name HA )) (( segid " " and resid 118 and name HB2 )) 2.900 1.000 1.000 peak 3740 spectrum 1 weight 0.10000E+01 volume 0.19670E-02 ppm1 5.403 ppm2 1.653 CV 1 OR { 3740} (( segid " " and resid 98 and name HA )) (( segid " " and resid 76 and name HB )) ASSI { 3742} (( segid " " and resid 98 and name HA )) (( segid " " and resid 99 and name HB3 )) 3.900 1.900 1.900 peak 3742 spectrum 1 weight 0.10000E+01 volume 0.12929E-02 ppm1 5.404 ppm2 1.402 CV 1 OR { 3742} (( segid " " and resid 98 and name HA )) (( segid " " and resid 100 and name HG12)) OR { 3742} (( segid " " and resid 98 and name HA )) (( segid " " and resid 76 and name HG12)) ASSI { 3745} (( segid " " and resid 118 and name HA )) ( segid " " and resid 142 and name HG1%) 3.400 1.500 1.500 peak 3745 spectrum 1 weight 0.10000E+01 volume 0.26513E-02 ppm1 5.403 ppm2 0.763 CV 1 OR { 3745} (( segid " " and resid 118 and name HA )) ( segid " " and resid 142 and name HG2%) OR { 3745} (( segid " " and resid 98 and name HA )) ( segid " " and resid 76 and name HD1%) OR { 3745} (( segid " " and resid 98 and name HA )) ( segid " " and resid 95 and name HD2%) OR { 3745} (( segid " " and resid 98 and name HA )) ( segid " " and resid 95 and name HD1%) OR { 3745} (( segid " " and resid 98 and name HA )) ( segid " " and resid 100 and name HG2%) ASSI { 3747} (( segid " " and resid 118 and name HA )) (( segid " " and resid 118 and name HG )) 2.900 1.000 1.000 peak 3747 spectrum 1 weight 0.10000E+01 volume 0.22812E-02 ppm1 5.403 ppm2 1.292 CV 1 OR { 3747} (( segid " " and resid 98 and name HA )) (( segid " " and resid 100 and name HG13)) ASSI { 3751} ( segid " " and resid 118 and name HD2%) (( segid " " and resid 106 and name HA )) 2.800 2.800 3.200 peak 3751 spectrum 1 weight 0.10000E+01 volume 0.28046E-02 ppm1 0.885 ppm2 4.327 CV 1 OR { 3751} ( segid " " and resid 118 and name HD2%) (( segid " " and resid 96 and name HA )) ASSI { 3759} (( segid " " and resid 118 and name HG )) ( segid " " and resid 142 and name HG1%) 3.500 1.600 1.600 peak 3759 spectrum 1 weight 0.10000E+01 volume 0.15379E-02 ppm1 1.271 ppm2 0.755 CV 1 OR { 3759} (( segid " " and resid 86 and name HD3 )) ( segid " " and resid 60 and name HD1%) OR { 3759} (( segid " " and resid 118 and name HG )) ( segid " " and resid 95 and name HD1%) OR { 3759} (( segid " " and resid 118 and name HG )) ( segid " " and resid 142 and name HG2%) ASSI { 3762} (( segid " " and resid 118 and name HG )) (( segid " " and resid 119 and name HN )) 3.900 1.900 1.900 peak 3762 spectrum 1 weight 0.10000E+01 volume 0.12315E-02 ppm1 1.271 ppm2 8.188 CV 1 OR { 3762} (( segid " " and resid 86 and name HD3 )) (( segid " " and resid 86 and name HN )) ASSI { 3774} (( segid " " and resid 88 and name HB3 )) (( segid " " and resid 88 and name HD2 )) 3.200 1.300 1.300 peak 3774 spectrum 1 weight 0.10000E+01 volume 0.25363E-02 ppm1 1.961 ppm2 3.461 CV 1 OR { 3774} (( segid " " and resid 140 and name HB3 )) (( segid " " and resid 140 and name HD3 )) ASSI { 3776} (( segid " " and resid 19 and name HB )) (( segid " " and resid 16 and name HA )) 3.200 1.300 1.300 peak 3776 spectrum 1 weight 0.10000E+01 volume 0.20153E-02 ppm1 2.323 ppm2 3.461 CV 1 OR { 3776} (( segid " " and resid 140 and name HB2 )) (( segid " " and resid 140 and name HD3 )) ASSI { 3789} (( segid " " and resid 108 and name HD3 )) ( segid " " and resid 80 and name HD1%) 4.400 2.400 1.600 peak 3789 spectrum 1 weight 0.10000E+01 volume 0.13674E-02 ppm1 3.438 ppm2 0.800 CV 1 OR { 3789} (( segid " " and resid 108 and name HD3 )) ( segid " " and resid 106 and name HG2%) OR { 3789} (( segid " " and resid 108 and name HD3 )) ( segid " " and resid 138 and name HD1%) OR { 3789} (( segid " " and resid 108 and name HD3 )) ( segid " " and resid 109 and name HD1%) ASSI { 3790} (( segid " " and resid 108 and name HD3 )) (( segid " " and resid 107 and name HG2 )) 3.700 1.700 1.700 peak 3790 spectrum 1 weight 0.10000E+01 volume 0.12357E-02 ppm1 3.438 ppm2 2.408 CV 1 OR { 3790} (( segid " " and resid 108 and name HD3 )) (( segid " " and resid 108 and name HB2 )) ASSI { 3793} (( segid " " and resid 108 and name HD3 )) (( segid " " and resid 80 and name HB2 )) 4.500 2.500 1.500 peak 3793 spectrum 1 weight 0.10000E+01 volume 0.83152E-03 ppm1 3.438 ppm2 1.735 CV 1 OR { 3793} (( segid " " and resid 108 and name HD3 )) (( segid " " and resid 109 and name HG )) OR { 3793} (( segid " " and resid 108 and name HD3 )) (( segid " " and resid 110 and name HD3 )) ASSI { 3798} (( segid " " and resid 108 and name HB2 )) (( segid " " and resid 108 and name HG3 )) 2.500 0.800 0.800 peak 3798 spectrum 1 weight 0.10000E+01 volume 0.55553E-02 ppm1 2.393 ppm2 2.059 CV 1 OR { 3798} (( segid " " and resid 108 and name HB2 )) (( segid " " and resid 108 and name HG2 )) OR { 3798} (( segid " " and resid 143 and name HG2 )) ( segid " " and resid 143 and name HE% ) ASSI { 3799} (( segid " " and resid 108 and name HB3 )) (( segid " " and resid 80 and name HB2 )) 3.700 1.700 1.700 peak 3799 spectrum 1 weight 0.10000E+01 volume 0.11785E-02 ppm1 1.162 ppm2 1.737 CV 1 OR { 3799} (( segid " " and resid 108 and name HB3 )) (( segid " " and resid 109 and name HG )) OR { 3799} (( segid " " and resid 108 and name HB3 )) (( segid " " and resid 110 and name HG2 )) ASSI { 3801} (( segid " " and resid 108 and name HB3 )) ( segid " " and resid 109 and name HD2%) 4.400 2.500 1.600 peak 3801 spectrum 1 weight 0.10000E+01 volume 0.10741E-02 ppm1 1.162 ppm2 0.770 CV 1 OR { 3801} (( segid " " and resid 108 and name HB3 )) ( segid " " and resid 83 and name HD1%) OR { 3801} (( segid " " and resid 108 and name HB3 )) ( segid " " and resid 109 and name HD1%) OR { 3801} (( segid " " and resid 108 and name HB3 )) ( segid " " and resid 106 and name HG2%) ASSI { 3810} (( segid " " and resid 143 and name HB3 )) (( segid " " and resid 116 and name HA )) 4.400 2.400 1.600 peak 3810 spectrum 1 weight 0.10000E+01 volume 0.77966E-03 ppm1 1.433 ppm2 4.823 CV 1 OR { 3810} (( segid " " and resid 143 and name HB3 )) (( segid " " and resid 144 and name HA )) ASSI { 3816} (( segid " " and resid 143 and name HG2 )) (( segid " " and resid 143 and name HB3 )) 2.600 0.800 0.800 peak 3816 spectrum 1 weight 0.10000E+01 volume 0.43019E-02 ppm1 2.386 ppm2 1.430 CV 1 OR { 3816} (( segid " " and resid 108 and name HB2 )) (( segid " " and resid 80 and name HB3 )) ASSI { 3827} (( segid " " and resid 28 and name HB2 )) (( segid " " and resid 28 and name HN )) 2.900 1.100 1.100 peak 3827 spectrum 1 weight 0.10000E+01 volume 0.22812E-02 ppm1 1.706 ppm2 8.151 CV 1 OR { 3827} (( segid " " and resid 143 and name HB2 )) (( segid " " and resid 144 and name HN )) ASSI { 3831} (( segid " " and resid 108 and name HB2 )) (( segid " " and resid 109 and name HN )) 3.000 1.200 1.200 peak 3831 spectrum 1 weight 0.10000E+01 volume 0.87206E-03 ppm1 2.386 ppm2 8.135 CV 1 OR { 3831} (( segid " " and resid 143 and name HG2 )) (( segid " " and resid 144 and name HN )) ASSI { 3838} (( segid " " and resid 109 and name HB2 )) ( segid " " and resid 139 and name HD2%) 2.600 0.900 0.900 peak 3838 spectrum 1 weight 0.10000E+01 volume 0.46489E-02 ppm1 2.152 ppm2 0.762 CV 1 OR { 3838} (( segid " " and resid 109 and name HB2 )) ( segid " " and resid 109 and name HD2%) ASSI { 3844} (( segid " " and resid 140 and name HG2 )) (( segid " " and resid 140 and name HD3 )) 2.400 0.700 0.700 peak 3844 spectrum 1 weight 0.10000E+01 volume 0.52337E-02 ppm1 1.999 ppm2 3.465 CV 1 OR { 3844} (( segid " " and resid 88 and name HG2 )) (( segid " " and resid 88 and name HD2 )) ASSI { 3869} (( segid " " and resid 141 and name HB3 )) (( segid " " and resid 141 and name HB2 )) 1.900 0.400 0.400 peak 3869 spectrum 1 weight 0.10000E+01 volume 0.73797E-02 ppm1 1.908 ppm2 2.213 CV 1 OR { 3869} (( segid " " and resid 6 and name HG2 )) (( segid " " and resid 6 and name HB2 )) ASSI { 3875} (( segid " " and resid 107 and name HB2 )) ( segid " " and resid 138 and name HD1%) 4.200 2.200 1.800 peak 3875 spectrum 1 weight 0.10000E+01 volume 0.63781E-03 ppm1 2.235 ppm2 0.800 CV 1 OR { 3875} (( segid " " and resid 107 and name HB2 )) ( segid " " and resid 106 and name HG2%) OR { 3875} (( segid " " and resid 107 and name HB2 )) ( segid " " and resid 80 and name HD1%) ASSI { 3876} (( segid " " and resid 107 and name HB3 )) ( segid " " and resid 138 and name HD1%) 5.100 3.200 0.900 peak 3876 spectrum 1 weight 0.10000E+01 volume 0.59191E-03 ppm1 2.176 ppm2 0.800 CV 1 OR { 3876} (( segid " " and resid 107 and name HB3 )) ( segid " " and resid 80 and name HD1%) OR { 3876} (( segid " " and resid 107 and name HB3 )) ( segid " " and resid 106 and name HG2%) ASSI { 3879} (( segid " " and resid 141 and name HG2 )) (( segid " " and resid 141 and name HB3 )) 3.000 1.100 1.100 peak 3879 spectrum 1 weight 0.10000E+01 volume 0.17418E-02 ppm1 2.757 ppm2 1.921 CV 1 OR { 3879} (( segid " " and resid 141 and name HG2 )) (( segid " " and resid 115 and name HB2 )) ASSI { 3880} (( segid " " and resid 141 and name HG2 )) ( segid " " and resid 142 and name HG1%) 3.800 1.800 1.800 peak 3880 spectrum 1 weight 0.10000E+01 volume 0.11898E-02 ppm1 2.757 ppm2 0.754 CV 1 OR { 3880} (( segid " " and resid 141 and name HG2 )) ( segid " " and resid 139 and name HD2%) OR { 3880} (( segid " " and resid 141 and name HG2 )) ( segid " " and resid 142 and name HG2%) ASSI { 3883} (( segid " " and resid 141 and name HG3 )) (( segid " " and resid 141 and name HB3 )) 3.000 1.100 1.100 peak 3883 spectrum 1 weight 0.10000E+01 volume 0.17286E-02 ppm1 2.668 ppm2 1.921 CV 1 OR { 3883} (( segid " " and resid 141 and name HG3 )) (( segid " " and resid 115 and name HB2 )) ASSI { 3884} (( segid " " and resid 141 and name HG3 )) ( segid " " and resid 142 and name HG1%) 4.000 2.000 2.000 peak 3884 spectrum 1 weight 0.10000E+01 volume 0.12375E-02 ppm1 2.668 ppm2 0.754 CV 1 OR { 3884} (( segid " " and resid 141 and name HG3 )) ( segid " " and resid 139 and name HD2%) OR { 3884} (( segid " " and resid 141 and name HG3 )) ( segid " " and resid 142 and name HG2%) ASSI { 3897} (( segid " " and resid 108 and name HG2 )) ( segid " " and resid 80 and name HD1%) 4.200 2.200 1.800 peak 3897 spectrum 1 weight 0.10000E+01 volume 0.81128E-03 ppm1 2.056 ppm2 0.800 CV 1 OR { 3897} (( segid " " and resid 108 and name HG3 )) ( segid " " and resid 80 and name HD1%) OR { 3897} (( segid " " and resid 108 and name HG2 )) ( segid " " and resid 106 and name HG2%) OR { 3897} (( segid " " and resid 108 and name HG2 )) ( segid " " and resid 109 and name HD1%) OR { 3897} (( segid " " and resid 81 and name HB3 )) ( segid " " and resid 80 and name HD1%) OR { 3897} (( segid " " and resid 81 and name HB2 )) ( segid " " and resid 80 and name HD1%) OR { 3897} (( segid " " and resid 108 and name HG3 )) ( segid " " and resid 109 and name HD1%) ASSI { 3905} ( segid " " and resid 66 and name HD2%) (( segid " " and resid 67 and name HA )) 3.400 1.400 1.400 peak 3905 spectrum 1 weight 0.10000E+01 volume 0.31145E-02 ppm1 0.751 ppm2 4.839 CV 1 OR { 3905} ( segid " " and resid 142 and name HG1%) (( segid " " and resid 116 and name HA )) ASSI { 3907} ( segid " " and resid 115 and name HD2%) (( segid " " and resid 115 and name HB2 )) 2.700 0.900 0.900 peak 3907 spectrum 1 weight 0.10000E+01 volume 0.10008E-01 ppm1 0.788 ppm2 1.983 CV 1 OR { 3907} ( segid " " and resid 115 and name HD2%) (( segid " " and resid 93 and name HB2 )) OR { 3907} ( segid " " and resid 11 and name HD2%) (( segid " " and resid 10 and name HB3 )) ASSI { 3914} ( segid " " and resid 145 and name HD2%) ( segid " " and resid 120 and name HD1%) 2.500 0.800 0.800 peak 3914 spectrum 1 weight 0.10000E+01 volume 0.85061E-02 ppm1 0.696 ppm2 0.939 CV 1 OR { 3914} ( segid " " and resid 47 and name HD2%) ( segid " " and resid 90 and name HD1%) ASSI { 3915} ( segid " " and resid 145 and name HD2%) (( segid " " and resid 145 and name HG )) 2.100 0.600 0.600 peak 3915 spectrum 1 weight 0.10000E+01 volume 0.10038E-01 ppm1 0.696 ppm2 1.107 CV 1 OR { 3915} ( segid " " and resid 47 and name HD2%) (( segid " " and resid 47 and name HB3 )) ASSI { 3917} ( segid " " and resid 145 and name HD2%) (( segid " " and resid 118 and name HB2 )) 2.700 0.900 0.900 peak 3917 spectrum 1 weight 0.10000E+01 volume 0.36141E-02 ppm1 0.696 ppm2 1.676 CV 1 OR { 3917} ( segid " " and resid 52 and name HG1%) (( segid " " and resid 24 and name HB2 )) OR { 3917} ( segid " " and resid 52 and name HG1%) (( segid " " and resid 24 and name HB3 )) ASSI { 3919} ( segid " " and resid 52 and name HG1%) (( segid " " and resid 27 and name HB3 )) 3.800 1.800 1.800 peak 3919 spectrum 1 weight 0.10000E+01 volume 0.89831E-03 ppm1 0.696 ppm2 2.889 CV 1 OR { 3919} ( segid " " and resid 145 and name HD2%) (( segid " " and resid 146 and name HB2 )) ASSI { 3921} ( segid " " and resid 145 and name HD2%) (( segid " " and resid 120 and name HG )) 2.600 0.800 0.800 peak 3921 spectrum 1 weight 0.10000E+01 volume 0.56165E-02 ppm1 0.696 ppm2 1.304 CV 1 OR { 3921} ( segid " " and resid 52 and name HG1%) (( segid " " and resid 50 and name HB )) OR { 3921} ( segid " " and resid 52 and name HG1%) (( segid " " and resid 54 and name HB3 )) OR { 3921} ( segid " " and resid 52 and name HG1%) (( segid " " and resid 54 and name HB2 )) ASSI { 3947} (( segid " " and resid 145 and name HG )) (( segid " " and resid 146 and name HB2 )) 4.400 2.400 1.600 peak 3947 spectrum 1 weight 0.10000E+01 volume 0.55062E-03 ppm1 1.108 ppm2 2.919 CV 1 OR { 3947} (( segid " " and resid 145 and name HG )) (( segid " " and resid 148 and name HB2 )) ASSI { 3981} (( segid " " and resid 86 and name HG3 )) (( segid " " and resid 86 and name HN )) 3.600 1.600 1.600 peak 3981 spectrum 1 weight 0.10000E+01 volume 0.14252E-02 ppm1 1.429 ppm2 8.171 CV 1 OR { 3981} (( segid " " and resid 91 and name HG3 )) (( segid " " and resid 92 and name HN )) ASSI { 3989} (( segid " " and resid 110 and name HD3 )) (( segid " " and resid 110 and name HA )) 4.700 2.800 1.300 peak 3989 spectrum 1 weight 0.10000E+01 volume 0.12238E-02 ppm1 1.755 ppm2 3.933 CV 1 OR { 3989} (( segid " " and resid 110 and name HD3 )) (( segid " " and resid 107 and name HA )) ASSI { 3990} (( segid " " and resid 110 and name HD2 )) (( segid " " and resid 107 and name HA )) 4.000 2.000 2.000 peak 3990 spectrum 1 weight 0.10000E+01 volume 0.13197E-02 ppm1 1.837 ppm2 3.933 CV 1 OR { 3990} (( segid " " and resid 110 and name HD2 )) (( segid " " and resid 110 and name HA )) ASSI { 4009} (( segid " " and resid 154 and name HG2 )) (( segid " " and resid 154 and name HG3 )) 1.500 0.300 0.700 peak 4009 spectrum 1 weight 0.10000E+01 volume 0.51800E-01 ppm1 2.226 ppm2 2.118 CV 1 OR { 4009} (( segid " " and resid 42 and name HG3 )) (( segid " " and resid 42 and name HB2 )) ASSI { 4033} (( segid " " and resid 111 and name HG2 )) (( segid " " and resid 111 and name HG3 )) 1.400 0.200 0.800 peak 4033 spectrum 1 weight 0.10000E+01 volume 0.22377E-01 ppm1 1.542 ppm2 1.416 CV 1 OR { 4033} (( segid " " and resid 61 and name HG2 )) (( segid " " and resid 61 and name HG3 )) ASSI { 4035} (( segid " " and resid 61 and name HG2 )) (( segid " " and resid 61 and name HB2 )) 2.200 0.600 0.600 peak 4035 spectrum 1 weight 0.10000E+01 volume 0.51800E-02 ppm1 1.542 ppm2 2.069 CV 1 OR { 4035} (( segid " " and resid 111 and name HG2 )) (( segid " " and resid 111 and name HB2 )) ASSI { 4040} (( segid " " and resid 111 and name HG3 )) (( segid " " and resid 111 and name HB2 )) 2.200 0.600 0.600 peak 4040 spectrum 1 weight 0.10000E+01 volume 0.57928E-02 ppm1 1.423 ppm2 2.069 CV 1 OR { 4040} (( segid " " and resid 61 and name HG3 )) (( segid " " and resid 61 and name HB2 )) ASSI { 4043} (( segid " " and resid 77 and name HB3 )) (( segid " " and resid 99 and name HB3 )) 2.900 1.100 1.100 peak 4043 spectrum 1 weight 0.10000E+01 volume 0.22812E-02 ppm1 3.684 ppm2 1.374 CV 1 OR { 4043} (( segid " " and resid 77 and name HB3 )) ( segid " " and resid 105 and name HG2%) ASSI { 4048} (( segid " " and resid 77 and name HB2 )) (( segid " " and resid 99 and name HB3 )) 3.300 1.400 1.400 peak 4048 spectrum 1 weight 0.10000E+01 volume 0.17310E-02 ppm1 4.215 ppm2 1.366 CV 1 OR { 4048} (( segid " " and resid 77 and name HB2 )) ( segid " " and resid 105 and name HG2%) ASSI { 4058} (( segid " " and resid 39 and name HB3 )) (( segid " " and resid 40 and name HA )) 4.100 2.100 1.900 peak 4058 spectrum 1 weight 0.10000E+01 volume 0.69744E-03 ppm1 2.912 ppm2 4.212 CV 1 OR { 4058} (( segid " " and resid 39 and name HB2 )) (( segid " " and resid 40 and name HA )) OR { 4058} (( segid " " and resid 39 and name HB3 )) (( segid " " and resid 62 and name HA )) ASSI { 4059} (( segid " " and resid 39 and name HB2 )) ( segid " " and resid 63 and name HD2%) 4.800 2.900 1.200 peak 4059 spectrum 1 weight 0.10000E+01 volume 0.57633E-03 ppm1 2.912 ppm2 0.980 CV 1 OR { 4059} (( segid " " and resid 39 and name HB3 )) ( segid " " and resid 63 and name HD2%) OR { 4059} (( segid " " and resid 39 and name HB3 )) (( segid " " and resid 37 and name HB3 )) ASSI { 4061} (( segid " " and resid 39 and name HB3 )) (( segid " " and resid 40 and name HG3 )) 4.500 2.500 1.500 peak 4061 spectrum 1 weight 0.10000E+01 volume 0.52752E-03 ppm1 2.912 ppm2 2.289 CV 1 OR { 4061} (( segid " " and resid 39 and name HB2 )) (( segid " " and resid 40 and name HG3 )) OR { 4061} (( segid " " and resid 39 and name HB2 )) (( segid " " and resid 42 and name HG2 )) ASSI { 4069} ( segid " " and resid 54 and name HD2%) (( segid " " and resid 74 and name HA )) 3.900 1.900 1.900 peak 4069 spectrum 1 weight 0.10000E+01 volume 0.90483E-03 ppm1 0.660 ppm2 5.108 CV 1 OR { 4069} ( segid " " and resid 54 and name HD2%) (( segid " " and resid 33 and name HA )) ASSI { 4070} (( segid " " and resid 83 and name HG )) ( segid " " and resid 83 and name HD1%) 2.100 0.600 0.600 peak 4070 spectrum 1 weight 0.10000E+01 volume 0.95493E-02 ppm1 1.577 ppm2 0.756 CV 1 OR { 4070} (( segid " " and resid 54 and name HG )) ( segid " " and resid 54 and name HD1%) OR { 4070} (( segid " " and resid 54 and name HG )) ( segid " " and resid 52 and name HG2%) ASSI { 4079} (( segid " " and resid 136 and name HB2 )) (( segid " " and resid 137 and name HG2 )) 4.200 2.200 1.800 peak 4079 spectrum 1 weight 0.10000E+01 volume 0.64377E-03 ppm1 2.957 ppm2 1.560 CV 1 OR { 4079} (( segid " " and resid 136 and name HB2 )) (( segid " " and resid 132 and name HB3 )) OR { 4079} (( segid " " and resid 59 and name HB2 )) (( segid " " and resid 60 and name HB3 )) OR { 4079} (( segid " " and resid 59 and name HB2 )) (( segid " " and resid 60 and name HB2 )) ASSI { 4080} (( segid " " and resid 59 and name HB2 )) (( segid " " and resid 34 and name HB )) 3.600 1.600 1.600 peak 4080 spectrum 1 weight 0.10000E+01 volume 0.89947E-03 ppm1 2.957 ppm2 1.711 CV 1 OR { 4080} (( segid " " and resid 59 and name HB2 )) (( segid " " and resid 33 and name HB3 )) OR { 4080} (( segid " " and resid 13 and name HB3 )) (( segid " " and resid 14 and name HG3 )) OR { 4080} (( segid " " and resid 59 and name HB2 )) (( segid " " and resid 34 and name HG13)) OR { 4080} (( segid " " and resid 136 and name HB2 )) (( segid " " and resid 137 and name HD2 )) OR { 4080} (( segid " " and resid 136 and name HB2 )) (( segid " " and resid 132 and name HB2 )) ASSI { 4081} (( segid " " and resid 59 and name HB3 )) ( segid " " and resid 34 and name HD1%) 4.400 2.400 1.600 peak 4081 spectrum 1 weight 0.10000E+01 volume 0.48831E-03 ppm1 2.682 ppm2 0.711 CV 1 OR { 4081} (( segid " " and resid 59 and name HB3 )) ( segid " " and resid 60 and name HD2%) OR { 4081} (( segid " " and resid 59 and name HB3 )) ( segid " " and resid 60 and name HD1%) ASSI { 4082} (( segid " " and resid 59 and name HB3 )) (( segid " " and resid 33 and name HD3 )) 4.100 2.100 1.900 peak 4082 spectrum 1 weight 0.10000E+01 volume 0.58379E-03 ppm1 2.682 ppm2 1.545 CV 1 OR { 4082} (( segid " " and resid 59 and name HB3 )) (( segid " " and resid 60 and name HB3 )) OR { 4082} (( segid " " and resid 59 and name HB3 )) (( segid " " and resid 60 and name HB2 )) ASSI { 4106} (( segid " " and resid 64 and name HB2 )) (( segid " " and resid 89 and name HD21)) 4.200 2.200 1.800 peak 4106 spectrum 1 weight 0.10000E+01 volume 0.58916E-03 ppm1 2.779 ppm2 8.155 CV 1 OR { 4106} (( segid " " and resid 64 and name HB3 )) (( segid " " and resid 89 and name HD21)) OR { 4106} (( segid " " and resid 94 and name HB3 )) (( segid " " and resid 93 and name HN )) ASSI { 4111} (( segid " " and resid 127 and name HB3 )) (( segid " " and resid 128 and name HG )) 4.000 2.000 2.000 peak 4111 spectrum 1 weight 0.10000E+01 volume 0.81188E-03 ppm1 2.776 ppm2 2.002 CV 1 OR { 4111} (( segid " " and resid 64 and name HB2 )) (( segid " " and resid 88 and name HG2 )) OR { 4111} (( segid " " and resid 64 and name HB3 )) (( segid " " and resid 88 and name HG2 )) OR { 4111} (( segid " " and resid 98 and name HB3 )) (( segid " " and resid 124 and name HB2 )) ASSI { 4112} (( segid " " and resid 64 and name HB2 )) (( segid " " and resid 88 and name HG3 )) 3.800 1.800 1.800 peak 4112 spectrum 1 weight 0.10000E+01 volume 0.19993E-02 ppm1 2.776 ppm2 1.861 CV 1 OR { 4112} (( segid " " and resid 64 and name HB3 )) (( segid " " and resid 88 and name HG3 )) OR { 4112} (( segid " " and resid 94 and name HB3 )) (( segid " " and resid 71 and name HB2 )) OR { 4112} (( segid " " and resid 64 and name HB2 )) (( segid " " and resid 65 and name HB2 )) OR { 4112} (( segid " " and resid 64 and name HB3 )) (( segid " " and resid 65 and name HB2 )) OR { 4112} (( segid " " and resid 98 and name HB3 )) (( segid " " and resid 95 and name HB2 )) OR { 4112} (( segid " " and resid 94 and name HB3 )) (( segid " " and resid 95 and name HB2 )) OR { 4112} (( segid " " and resid 127 and name HB3 )) (( segid " " and resid 128 and name HB2 )) ASSI { 4114} (( segid " " and resid 64 and name HB2 )) (( segid " " and resid 65 and name HG3 )) 3.400 1.500 1.500 peak 4114 spectrum 1 weight 0.10000E+01 volume 0.16768E-02 ppm1 2.776 ppm2 1.298 CV 1 OR { 4114} (( segid " " and resid 64 and name HB3 )) (( segid " " and resid 65 and name HG3 )) OR { 4114} (( segid " " and resid 98 and name HB3 )) (( segid " " and resid 100 and name HG13)) ASSI { 4115} (( segid " " and resid 98 and name HB3 )) (( segid " " and resid 76 and name HG13)) 4.000 2.000 2.000 peak 4115 spectrum 1 weight 0.10000E+01 volume 0.90483E-03 ppm1 2.776 ppm2 0.960 CV 1 OR { 4115} (( segid " " and resid 98 and name HB3 )) ( segid " " and resid 76 and name HG2%) OR { 4115} (( segid " " and resid 127 and name HB3 )) ( segid " " and resid 128 and name HD2%) ASSI { 4117} (( segid " " and resid 98 and name HB3 )) ( segid " " and resid 95 and name HD2%) 4.000 2.000 2.000 peak 4117 spectrum 1 weight 0.10000E+01 volume 0.12506E-02 ppm1 2.795 ppm2 0.749 CV 1 OR { 4117} (( segid " " and resid 98 and name HB3 )) ( segid " " and resid 95 and name HD1%) OR { 4117} (( segid " " and resid 98 and name HB3 )) ( segid " " and resid 76 and name HD1%) OR { 4117} (( segid " " and resid 94 and name HB3 )) ( segid " " and resid 95 and name HD2%) OR { 4117} (( segid " " and resid 94 and name HB3 )) ( segid " " and resid 93 and name HD1%) OR { 4117} (( segid " " and resid 98 and name HB3 )) ( segid " " and resid 100 and name HG2%) OR { 4117} (( segid " " and resid 98 and name HB3 )) ( segid " " and resid 106 and name HG2%) ASSI { 4118} (( segid " " and resid 94 and name HB3 )) (( segid " " and resid 95 and name HA )) 3.900 1.900 1.900 peak 4118 spectrum 1 weight 0.10000E+01 volume 0.10711E-02 ppm1 2.776 ppm2 4.213 CV 1 OR { 4118} (( segid " " and resid 98 and name HB3 )) (( segid " " and resid 95 and name HA )) OR { 4118} (( segid " " and resid 127 and name HB3 )) (( segid " " and resid 128 and name HA )) OR { 4118} (( segid " " and resid 98 and name HB3 )) (( segid " " and resid 100 and name HA )) OR { 4118} (( segid " " and resid 127 and name HB3 )) (( segid " " and resid 124 and name HA )) OR { 4118} (( segid " " and resid 98 and name HB3 )) (( segid " " and resid 105 and name HB )) ASSI { 4121} (( segid " " and resid 65 and name HG3 )) (( segid " " and resid 65 and name HG2 )) 1.600 0.300 0.600 peak 4121 spectrum 1 weight 0.10000E+01 volume 0.16559E-01 ppm1 1.300 ppm2 1.631 CV 1 OR { 4121} (( segid " " and resid 118 and name HG )) (( segid " " and resid 118 and name HB2 )) ASSI { 4123} (( segid " " and resid 67 and name HB2 )) (( segid " " and resid 67 and name HG2 )) 2.200 0.600 0.600 peak 4123 spectrum 1 weight 0.10000E+01 volume 0.11123E-01 ppm1 1.985 ppm2 1.791 CV 1 OR { 4123} (( segid " " and resid 67 and name HB3 )) (( segid " " and resid 67 and name HG2 )) OR { 4123} (( segid " " and resid 116 and name HB2 )) (( segid " " and resid 91 and name HB3 )) ASSI { 4124} (( segid " " and resid 116 and name HB3 )) (( segid " " and resid 116 and name HG3 )) 2.300 0.700 0.700 peak 4124 spectrum 1 weight 0.10000E+01 volume 0.86254E-02 ppm1 1.985 ppm2 1.664 CV 1 OR { 4124} (( segid " " and resid 67 and name HB3 )) (( segid " " and resid 67 and name HG3 )) OR { 4124} (( segid " " and resid 67 and name HB2 )) (( segid " " and resid 67 and name HG3 )) OR { 4124} (( segid " " and resid 116 and name HB2 )) (( segid " " and resid 116 and name HG3 )) OR { 4124} (( segid " " and resid 116 and name HB2 )) (( segid " " and resid 116 and name HD3 )) OR { 4124} (( segid " " and resid 116 and name HB3 )) (( segid " " and resid 116 and name HD3 )) ASSI { 4125} (( segid " " and resid 116 and name HB3 )) (( segid " " and resid 117 and name HA )) 4.100 2.100 1.900 peak 4125 spectrum 1 weight 0.10000E+01 volume 0.51059E-03 ppm1 1.985 ppm2 5.812 CV 1 OR { 4125} (( segid " " and resid 116 and name HB2 )) (( segid " " and resid 117 and name HA )) OR { 4125} (( segid " " and resid 67 and name HB2 )) (( segid " " and resid 46 and name HA )) ASSI { 4138} (( segid " " and resid 67 and name HB2 )) (( segid " " and resid 92 and name HB3 )) 3.300 1.300 1.300 peak 4138 spectrum 1 weight 0.10000E+01 volume 0.16356E-02 ppm1 1.985 ppm2 3.044 CV 1 OR { 4138} (( segid " " and resid 67 and name HB3 )) (( segid " " and resid 92 and name HB3 )) OR { 4138} (( segid " " and resid 67 and name HB2 )) (( segid " " and resid 91 and name HE3 )) OR { 4138} (( segid " " and resid 67 and name HB3 )) (( segid " " and resid 91 and name HE2 )) OR { 4138} (( segid " " and resid 67 and name HB3 )) (( segid " " and resid 91 and name HE3 )) ASSI { 4141} (( segid " " and resid 116 and name HG3 )) (( segid " " and resid 91 and name HE3 )) 2.700 2.700 3.300 peak 4141 spectrum 1 weight 0.10000E+01 volume 0.22103E-02 ppm1 1.645 ppm2 3.044 CV 1 OR { 4141} (( segid " " and resid 116 and name HG3 )) (( segid " " and resid 91 and name HE2 )) OR { 4141} (( segid " " and resid 67 and name HG3 )) (( segid " " and resid 92 and name HB3 )) ASSI { 4156} ( segid " " and resid 69 and name HD1%) ( segid " " and resid 66 and name HD1%) 3.100 1.200 1.200 peak 4156 spectrum 1 weight 0.10000E+01 volume 0.32528E-02 ppm1 0.806 ppm2 1.052 CV 1 OR { 4156} ( segid " " and resid 83 and name HD1%) ( segid " " and resid 82 and name HG1%) ASSI { 4164} (( segid " " and resid 3 and name HG3 )) (( segid " " and resid 3 and name HN )) 4.400 2.400 1.600 peak 4164 spectrum 1 weight 0.10000E+01 volume 0.80532E-03 ppm1 2.490 ppm2 8.449 CV 1 OR { 4164} (( segid " " and resid 3 and name HG3 )) (( segid " " and resid 7 and name HN )) ASSI { 4165} (( segid " " and resid 70 and name HB3 )) (( segid " " and resid 72 and name HN )) 3.400 1.500 1.500 peak 4165 spectrum 1 weight 0.10000E+01 volume 0.89410E-03 ppm1 2.134 ppm2 8.276 CV 1 OR { 4165} (( segid " " and resid 70 and name HB3 )) (( segid " " and resid 69 and name HN )) ASSI { 4166} (( segid " " and resid 70 and name HB2 )) (( segid " " and resid 72 and name HN )) 3.700 1.700 1.700 peak 4166 spectrum 1 weight 0.10000E+01 volume 0.99662E-03 ppm1 2.503 ppm2 8.290 CV 1 OR { 4166} (( segid " " and resid 70 and name HB2 )) (( segid " " and resid 69 and name HN )) OR { 4166} (( segid " " and resid 3 and name HG3 )) (( segid " " and resid 6 and name HN )) ASSI { 4169} (( segid " " and resid 70 and name HG2 )) ( segid " " and resid 50 and name HD1%) 3.400 1.500 1.500 peak 4169 spectrum 1 weight 0.10000E+01 volume 0.23271E-02 ppm1 2.549 ppm2 0.763 CV 1 OR { 4169} (( segid " " and resid 70 and name HG2 )) ( segid " " and resid 71 and name HD1%) ASSI { 4172} (( segid " " and resid 70 and name HG3 )) ( segid " " and resid 50 and name HD1%) 3.300 1.400 1.400 peak 4172 spectrum 1 weight 0.10000E+01 volume 0.25250E-02 ppm1 2.389 ppm2 0.763 CV 1 OR { 4172} (( segid " " and resid 45 and name HG3 )) ( segid " " and resid 44 and name HD2%) OR { 4172} (( segid " " and resid 45 and name HG3 )) ( segid " " and resid 66 and name HD2%) ASSI { 4173} (( segid " " and resid 2 and name HG3 )) (( segid " " and resid 28 and name HG2 )) 4.100 2.100 1.900 peak 4173 spectrum 1 weight 0.10000E+01 volume 0.84224E-03 ppm1 2.389 ppm2 1.340 CV 1 OR { 4173} (( segid " " and resid 70 and name HG3 )) (( segid " " and resid 69 and name HB3 )) OR { 4173} (( segid " " and resid 2 and name HG3 )) (( segid " " and resid 28 and name HG3 )) OR { 4173} (( segid " " and resid 70 and name HG3 )) (( segid " " and resid 71 and name HG )) OR { 4173} (( segid " " and resid 70 and name HG3 )) (( segid " " and resid 68 and name HG2 )) OR { 4173} (( segid " " and resid 45 and name HG3 )) (( segid " " and resid 66 and name HG )) ASSI { 4174} (( segid " " and resid 2 and name HG3 )) (( segid " " and resid 5 and name HG2 )) 3.200 1.200 1.200 peak 4174 spectrum 1 weight 0.10000E+01 volume 0.17501E-02 ppm1 2.389 ppm2 1.622 CV 1 OR { 4174} (( segid " " and resid 45 and name HG3 )) (( segid " " and resid 20 and name HG2 )) OR { 4174} (( segid " " and resid 45 and name HG3 )) (( segid " " and resid 20 and name HG3 )) OR { 4174} (( segid " " and resid 45 and name HG3 )) (( segid " " and resid 67 and name HG3 )) OR { 4174} (( segid " " and resid 45 and name HG3 )) (( segid " " and resid 65 and name HG2 )) ASSI { 4175} (( segid " " and resid 70 and name HG3 )) ( segid " " and resid 46 and name HE% ) 3.300 1.400 1.400 peak 4175 spectrum 1 weight 0.10000E+01 volume 0.11063E-02 ppm1 2.389 ppm2 7.192 CV 1 OR { 4175} (( segid " " and resid 45 and name HG3 )) ( segid " " and resid 46 and name HD% ) ASSI { 4176} (( segid " " and resid 70 and name HG2 )) ( segid " " and resid 46 and name HE% ) 2.900 2.900 3.100 peak 4176 spectrum 1 weight 0.10000E+01 volume 0.10902E-02 ppm1 2.549 ppm2 7.192 CV 1 OR { 4176} (( segid " " and resid 70 and name HG2 )) ( segid " " and resid 46 and name HD% ) OR { 4176} (( segid " " and resid 70 and name HG2 )) (( segid " " and resid 74 and name HD22)) ASSI { 4182} (( segid " " and resid 70 and name HG2 )) (( segid " " and resid 72 and name HN )) 4.100 2.100 1.900 peak 4182 spectrum 1 weight 0.10000E+01 volume 0.10062E-02 ppm1 2.549 ppm2 8.262 CV 1 OR { 4182} (( segid " " and resid 2 and name HG2 )) (( segid " " and resid 6 and name HN )) ASSI { 4200} ( segid " " and resid 71 and name HD1%) (( segid " " and resid 71 and name HG )) 2.100 0.600 0.600 peak 4200 spectrum 1 weight 0.10000E+01 volume 0.15039E-01 ppm1 0.727 ppm2 1.369 CV 1 OR { 4200} ( segid " " and resid 95 and name HD1%) (( segid " " and resid 100 and name HG12)) ASSI { 4209} (( segid " " and resid 75 and name HG3 )) (( segid " " and resid 55 and name HA )) 3.600 1.600 1.600 peak 4209 spectrum 1 weight 0.10000E+01 volume 0.31109E-02 ppm1 1.435 ppm2 4.326 CV 1 OR { 4209} (( segid " " and resid 86 and name HD2 )) (( segid " " and resid 86 and name HA )) ASSI { 4210} (( segid " " and resid 106 and name HG13)) (( segid " " and resid 106 and name HA )) 3.400 1.400 1.400 peak 4210 spectrum 1 weight 0.10000E+01 volume 0.24558E-02 ppm1 1.265 ppm2 4.326 CV 1 OR { 4210} (( segid " " and resid 86 and name HD3 )) (( segid " " and resid 86 and name HA )) ASSI { 4229} ( segid " " and resid 76 and name HD1%) (( segid " " and resid 71 and name HB3 )) 2.800 1.000 1.000 peak 4229 spectrum 1 weight 0.10000E+01 volume 0.63961E-02 ppm1 0.761 ppm2 1.650 CV 1 OR { 4229} ( segid " " and resid 76 and name HD1%) (( segid " " and resid 76 and name HB )) ASSI { 4232} ( segid " " and resid 76 and name HG2%) (( segid " " and resid 57 and name HA )) 3.400 3.400 2.600 peak 4232 spectrum 1 weight 0.10000E+01 volume 0.11528E-02 ppm1 0.941 ppm2 4.734 CV 1 OR { 4232} ( segid " " and resid 76 and name HG2%) (( segid " " and resid 70 and name HA )) OR { 4232} ( segid " " and resid 76 and name HG2%) (( segid " " and resid 123 and name HA )) ASSI { 4243} ( segid " " and resid 76 and name HG2%) (( segid " " and resid 78 and name HA2 )) 4.300 2.300 1.700 peak 4243 spectrum 1 weight 0.10000E+01 volume 0.13639E-02 ppm1 0.941 ppm2 4.013 CV 1 OR { 4243} ( segid " " and resid 76 and name HG2%) (( segid " " and resid 80 and name HA )) ASSI { 4249} (( segid " " and resid 79 and name HB2 )) (( segid " " and resid 78 and name HA2 )) 3.800 1.800 1.800 peak 4249 spectrum 1 weight 0.10000E+01 volume 0.11176E-02 ppm1 2.969 ppm2 4.015 CV 1 OR { 4249} (( segid " " and resid 79 and name HB2 )) (( segid " " and resid 56 and name HB2 )) OR { 4249} (( segid " " and resid 79 and name HB3 )) (( segid " " and resid 56 and name HB2 )) OR { 4249} (( segid " " and resid 79 and name HB2 )) (( segid " " and resid 80 and name HA )) OR { 4249} (( segid " " and resid 79 and name HB3 )) (( segid " " and resid 78 and name HA2 )) ASSI { 4263} ( segid " " and resid 80 and name HD2%) (( segid " " and resid 82 and name HN )) 4.800 2.900 1.200 peak 4263 spectrum 1 weight 0.10000E+01 volume 0.52622E-03 ppm1 0.661 ppm2 7.575 CV 1 OR { 4263} ( segid " " and resid 80 and name HD2%) (( segid " " and resid 98 and name HD21)) ASSI { 4269} ( segid " " and resid 76 and name HD1%) (( segid " " and resid 74 and name HD21)) 4.000 2.000 2.000 peak 4269 spectrum 1 weight 0.10000E+01 volume 0.56415E-03 ppm1 0.761 ppm2 7.881 CV 1 OR { 4269} ( segid " " and resid 76 and name HD1%) (( segid " " and resid 99 and name HN )) ASSI { 4277} ( segid " " and resid 50 and name HD1%) (( segid " " and resid 71 and name HA )) 4.400 2.400 1.600 peak 4277 spectrum 1 weight 0.10000E+01 volume 0.66286E-03 ppm1 0.770 ppm2 4.493 CV 1 OR { 4277} ( segid " " and resid 50 and name HD1%) (( segid " " and resid 25 and name HA )) ASSI { 4278} ( segid " " and resid 76 and name HD1%) (( segid " " and resid 54 and name HA )) 3.700 1.700 1.700 peak 4278 spectrum 1 weight 0.10000E+01 volume 0.68967E-03 ppm1 0.761 ppm2 4.069 CV 1 OR { 4278} ( segid " " and resid 76 and name HD1%) (( segid " " and resid 56 and name HB2 )) ASSI { 4288} (( segid " " and resid 81 and name HA )) (( segid " " and resid 108 and name HB2 )) 2.800 1.000 1.000 peak 4288 spectrum 1 weight 0.10000E+01 volume 0.60324E-02 ppm1 4.022 ppm2 2.377 CV 1 OR { 4288} (( segid " " and resid 81 and name HA )) (( segid " " and resid 81 and name HG2 )) OR { 4288} (( segid " " and resid 81 and name HA )) (( segid " " and resid 81 and name HG3 )) ASSI { 4289} (( segid " " and resid 81 and name HA )) (( segid " " and resid 81 and name HB2 )) 2.300 0.700 0.700 peak 4289 spectrum 1 weight 0.10000E+01 volume 0.93705E-02 ppm1 4.022 ppm2 2.063 CV 1 OR { 4289} (( segid " " and resid 81 and name HA )) (( segid " " and resid 81 and name HB3 )) OR { 4289} (( segid " " and resid 81 and name HA )) (( segid " " and resid 108 and name HG3 )) ASSI { 4300} ( segid " " and resid 82 and name HG1%) (( segid " " and resid 57 and name HB )) 3.000 1.100 1.100 peak 4300 spectrum 1 weight 0.10000E+01 volume 0.31187E-02 ppm1 1.064 ppm2 2.338 CV 1 OR { 4300} ( segid " " and resid 82 and name HG1%) (( segid " " and resid 86 and name HB2 )) OR { 4300} ( segid " " and resid 82 and name HG1%) (( segid " " and resid 85 and name HG2 )) ASSI { 4301} ( segid " " and resid 82 and name HG1%) (( segid " " and resid 86 and name HE3 )) 2.600 0.800 0.800 peak 4301 spectrum 1 weight 0.10000E+01 volume 0.53559E-02 ppm1 1.064 ppm2 2.969 CV 1 OR { 4301} ( segid " " and resid 82 and name HG1%) (( segid " " and resid 79 and name HB3 )) ASSI { 4302} ( segid " " and resid 82 and name HG1%) (( segid " " and resid 82 and name HA )) 2.400 0.700 0.700 peak 4302 spectrum 1 weight 0.10000E+01 volume 0.12380E-01 ppm1 1.064 ppm2 3.941 CV 1 OR { 4302} ( segid " " and resid 82 and name HG1%) (( segid " " and resid 83 and name HA )) ASSI { 4315} ( segid " " and resid 82 and name HG2%) (( segid " " and resid 60 and name HB3 )) 2.700 0.900 0.900 peak 4315 spectrum 1 weight 0.10000E+01 volume 0.53253E-02 ppm1 0.971 ppm2 1.543 CV 1 OR { 4315} ( segid " " and resid 82 and name HG2%) (( segid " " and resid 60 and name HB2 )) OR { 4315} ( segid " " and resid 82 and name HG2%) (( segid " " and resid 83 and name HG )) ASSI { 4317} ( segid " " and resid 82 and name HG2%) (( segid " " and resid 57 and name HB )) 3.400 1.400 1.400 peak 4317 spectrum 1 weight 0.10000E+01 volume 0.27736E-02 ppm1 0.971 ppm2 2.328 CV 1 OR { 4317} ( segid " " and resid 82 and name HG2%) (( segid " " and resid 85 and name HG2 )) OR { 4317} ( segid " " and resid 82 and name HG2%) (( segid " " and resid 86 and name HB2 )) ASSI { 4321} ( segid " " and resid 82 and name HG2%) (( segid " " and resid 57 and name HG12)) 3.100 1.200 1.200 peak 4321 spectrum 1 weight 0.10000E+01 volume 0.22514E-02 ppm1 0.971 ppm2 1.336 CV 1 OR { 4321} ( segid " " and resid 82 and name HG2%) ( segid " " and resid 84 and name HB% ) ASSI { 4322} ( segid " " and resid 82 and name HG2%) ( segid " " and resid 60 and name HD1%) 2.600 0.800 0.800 peak 4322 spectrum 1 weight 0.10000E+01 volume 0.98415E-02 ppm1 0.971 ppm2 0.725 CV 1 OR { 4322} ( segid " " and resid 82 and name HG2%) ( segid " " and resid 57 and name HD1%) ASSI { 4325} ( segid " " and resid 82 and name HG2%) (( segid " " and resid 60 and name HN )) 2.900 1.100 1.100 peak 4325 spectrum 1 weight 0.10000E+01 volume 0.44104E-02 ppm1 0.971 ppm2 7.286 CV 1 OR { 4325} ( segid " " and resid 82 and name HG2%) (( segid " " and resid 83 and name HN )) ASSI { 4331} ( segid " " and resid 82 and name HG1%) ( segid " " and resid 57 and name HD1%) 3.700 1.700 1.700 peak 4331 spectrum 1 weight 0.10000E+01 volume 0.16321E-02 ppm1 1.064 ppm2 0.769 CV 1 OR { 4331} ( segid " " and resid 82 and name HG1%) ( segid " " and resid 83 and name HD1%) ASSI { 4335} (( segid " " and resid 83 and name HB3 )) (( segid " " and resid 112 and name HG )) 3.700 1.700 1.700 peak 4335 spectrum 1 weight 0.10000E+01 volume 0.12106E-02 ppm1 1.212 ppm2 1.497 CV 1 OR { 4335} (( segid " " and resid 83 and name HB3 )) (( segid " " and resid 86 and name HG2 )) ASSI { 4349} (( segid " " and resid 83 and name HA )) (( segid " " and resid 83 and name HG )) 3.300 1.300 1.300 peak 4349 spectrum 1 weight 0.10000E+01 volume 0.18043E-02 ppm1 3.912 ppm2 1.573 CV 1 OR { 4349} (( segid " " and resid 83 and name HA )) (( segid " " and resid 90 and name HB3 )) ASSI { 4353} ( segid " " and resid 83 and name HD1%) (( segid " " and resid 80 and name HA )) 3.200 1.300 1.300 peak 4353 spectrum 1 weight 0.10000E+01 volume 0.23378E-02 ppm1 0.792 ppm2 3.987 CV 1 OR { 4353} ( segid " " and resid 83 and name HD1%) (( segid " " and resid 109 and name HA )) OR { 4353} ( segid " " and resid 83 and name HD1%) (( segid " " and resid 82 and name HA )) ASSI { 4354} (( segid " " and resid 54 and name HG )) ( segid " " and resid 54 and name HD2%) 2.100 0.500 0.500 peak 4354 spectrum 1 weight 0.10000E+01 volume 0.11480E-01 ppm1 1.573 ppm2 0.658 CV 1 OR { 4354} (( segid " " and resid 83 and name HG )) ( segid " " and resid 83 and name HD2%) OR { 4354} (( segid " " and resid 80 and name HG )) ( segid " " and resid 80 and name HD2%) ASSI { 4355} (( segid " " and resid 83 and name HG )) ( segid " " and resid 83 and name HD1%) 2.000 0.500 0.500 peak 4355 spectrum 1 weight 0.10000E+01 volume 0.14586E-01 ppm1 1.573 ppm2 0.781 CV 1 OR { 4355} (( segid " " and resid 80 and name HG )) ( segid " " and resid 80 and name HD1%) OR { 4355} (( segid " " and resid 54 and name HG )) ( segid " " and resid 52 and name HG2%) ASSI { 4356} (( segid " " and resid 80 and name HG )) ( segid " " and resid 76 and name HG2%) 3.600 1.700 1.700 peak 4356 spectrum 1 weight 0.10000E+01 volume 0.17203E-02 ppm1 1.573 ppm2 0.964 CV 1 OR { 4356} (( segid " " and resid 83 and name HG )) ( segid " " and resid 82 and name HG2%) OR { 4356} (( segid " " and resid 83 and name HG )) ( segid " " and resid 112 and name HD1%) OR { 4356} (( segid " " and resid 83 and name HG )) ( segid " " and resid 93 and name HD2%) ASSI { 4359} (( segid " " and resid 84 and name HA )) (( segid " " and resid 88 and name HA )) 3.300 1.400 1.400 peak 4359 spectrum 1 weight 0.10000E+01 volume 0.22293E-02 ppm1 3.903 ppm2 4.222 CV 1 OR { 4359} (( segid " " and resid 84 and name HA )) (( segid " " and resid 85 and name HA )) ASSI { 4360} (( segid " " and resid 84 and name HA )) (( segid " " and resid 111 and name HB2 )) 4.000 2.000 2.000 peak 4360 spectrum 1 weight 0.10000E+01 volume 0.12261E-02 ppm1 3.903 ppm2 2.062 CV 1 OR { 4360} (( segid " " and resid 84 and name HA )) (( segid " " and resid 112 and name HB2 )) ASSI { 4364} (( segid " " and resid 84 and name HA )) (( segid " " and resid 85 and name HN )) 3.200 1.300 1.300 peak 4364 spectrum 1 weight 0.10000E+01 volume 0.14538E-02 ppm1 3.903 ppm2 7.004 CV 1 OR { 4364} (( segid " " and resid 84 and name HA )) (( segid " " and resid 111 and name HN )) ASSI { 4368} ( segid " " and resid 84 and name HB% ) (( segid " " and resid 85 and name HN )) 2.700 0.900 0.900 peak 4368 spectrum 1 weight 0.10000E+01 volume 0.56395E-02 ppm1 1.334 ppm2 6.998 CV 1 OR { 4368} ( segid " " and resid 84 and name HB% ) (( segid " " and resid 111 and name HN )) ASSI { 4370} ( segid " " and resid 84 and name HB% ) (( segid " " and resid 81 and name HA )) 3.000 1.100 1.100 peak 4370 spectrum 1 weight 0.10000E+01 volume 0.17608E-02 ppm1 1.334 ppm2 4.010 CV 1 OR { 4370} ( segid " " and resid 84 and name HB% ) (( segid " " and resid 109 and name HA )) ASSI { 4374} ( segid " " and resid 84 and name HB% ) (( segid " " and resid 85 and name HG2 )) 3.600 1.600 1.600 peak 4374 spectrum 1 weight 0.10000E+01 volume 0.84109E-03 ppm1 1.334 ppm2 2.339 CV 1 OR { 4374} ( segid " " and resid 84 and name HB% ) (( segid " " and resid 81 and name HG2 )) OR { 4374} ( segid " " and resid 84 and name HB% ) (( segid " " and resid 81 and name HG3 )) ASSI { 4392} (( segid " " and resid 85 and name HG2 )) (( segid " " and resid 86 and name HG2 )) 4.000 2.000 2.000 peak 4392 spectrum 1 weight 0.10000E+01 volume 0.17584E-02 ppm1 2.321 ppm2 1.448 CV 1 OR { 4392} (( segid " " and resid 81 and name HG3 )) (( segid " " and resid 80 and name HB3 )) OR { 4392} (( segid " " and resid 81 and name HG3 )) (( segid " " and resid 111 and name HG3 )) OR { 4392} (( segid " " and resid 81 and name HG2 )) (( segid " " and resid 80 and name HB3 )) OR { 4392} (( segid " " and resid 85 and name HG2 )) (( segid " " and resid 86 and name HG3 )) OR { 4392} (( segid " " and resid 85 and name HG2 )) (( segid " " and resid 86 and name HD2 )) ASSI { 4393} (( segid " " and resid 35 and name HG3 )) (( segid " " and resid 30 and name HG13)) 3.500 1.500 1.500 peak 4393 spectrum 1 weight 0.10000E+01 volume 0.16607E-02 ppm1 2.167 ppm2 1.454 CV 1 OR { 4393} (( segid " " and resid 85 and name HG3 )) (( segid " " and resid 86 and name HG2 )) OR { 4393} (( segid " " and resid 85 and name HG3 )) (( segid " " and resid 86 and name HG3 )) ASSI { 4394} (( segid " " and resid 85 and name HG3 )) ( segid " " and resid 84 and name HB% ) 4.000 2.000 2.000 peak 4394 spectrum 1 weight 0.10000E+01 volume 0.11052E-02 ppm1 2.167 ppm2 1.321 CV 1 OR { 4394} (( segid " " and resid 35 and name HG3 )) (( segid " " and resid 33 and name HG3 )) ASSI { 4395} (( segid " " and resid 21 and name HG2 )) (( segid " " and resid 22 and name HN )) 4.200 2.200 1.800 peak 4395 spectrum 1 weight 0.10000E+01 volume 0.15188E-02 ppm1 2.321 ppm2 8.154 CV 1 OR { 4395} (( segid " " and resid 85 and name HG2 )) (( segid " " and resid 86 and name HN )) OR { 4395} (( segid " " and resid 10 and name HG3 )) (( segid " " and resid 11 and name HN )) ASSI { 4403} (( segid " " and resid 118 and name HG )) (( segid " " and resid 119 and name HN )) 4.000 2.000 2.000 peak 4403 spectrum 1 weight 0.10000E+01 volume 0.10443E-02 ppm1 1.265 ppm2 8.181 CV 1 OR { 4403} (( segid " " and resid 86 and name HD3 )) (( segid " " and resid 86 and name HN )) OR { 4403} (( segid " " and resid 100 and name HG13)) (( segid " " and resid 125 and name HN )) ASSI { 4409} (( segid " " and resid 86 and name HE3 )) (( segid " " and resid 82 and name HB )) 2.900 2.900 3.100 peak 4409 spectrum 1 weight 0.10000E+01 volume 0.92096E-03 ppm1 2.941 ppm2 2.174 CV 1 OR { 4409} (( segid " " and resid 86 and name HE3 )) (( segid " " and resid 85 and name HG3 )) ASSI { 4422} (( segid " " and resid 87 and name HB2 )) ( segid " " and resid 66 and name HD2%) 3.600 1.600 1.600 peak 4422 spectrum 1 weight 0.10000E+01 volume 0.12703E-02 ppm1 3.088 ppm2 0.726 CV 1 OR { 4422} (( segid " " and resid 87 and name HB2 )) ( segid " " and resid 109 and name HD2%) OR { 4422} (( segid " " and resid 87 and name HB2 )) ( segid " " and resid 93 and name HD1%) ASSI { 4423} (( segid " " and resid 87 and name HB2 )) ( segid " " and resid 112 and name HD2%) 3.100 1.200 1.200 peak 4423 spectrum 1 weight 0.10000E+01 volume 0.30460E-02 ppm1 3.088 ppm2 0.867 CV 1 OR { 4423} (( segid " " and resid 87 and name HB2 )) ( segid " " and resid 90 and name HD2%) ASSI { 4425} (( segid " " and resid 87 and name HB2 )) (( segid " " and resid 112 and name HG )) 3.400 1.500 1.500 peak 4425 spectrum 1 weight 0.10000E+01 volume 0.17936E-02 ppm1 3.088 ppm2 1.487 CV 1 OR { 4425} (( segid " " and resid 87 and name HB2 )) (( segid " " and resid 86 and name HG2 )) ASSI { 4427} (( segid " " and resid 87 and name HB3 )) ( segid " " and resid 60 and name HD1%) 3.300 1.300 1.300 peak 4427 spectrum 1 weight 0.10000E+01 volume 0.13370E-02 ppm1 2.824 ppm2 0.722 CV 1 OR { 4427} (( segid " " and resid 87 and name HB3 )) ( segid " " and resid 109 and name HD2%) OR { 4427} (( segid " " and resid 87 and name HB3 )) ( segid " " and resid 63 and name HD1%) OR { 4427} (( segid " " and resid 87 and name HB3 )) ( segid " " and resid 71 and name HD1%) OR { 4427} (( segid " " and resid 87 and name HB3 )) ( segid " " and resid 139 and name HD2%) ASSI { 4428} (( segid " " and resid 87 and name HB3 )) ( segid " " and resid 112 and name HD2%) 3.000 1.100 1.100 peak 4428 spectrum 1 weight 0.10000E+01 volume 0.28236E-02 ppm1 2.824 ppm2 0.871 CV 1 OR { 4428} (( segid " " and resid 87 and name HB3 )) ( segid " " and resid 90 and name HD2%) ASSI { 4430} (( segid " " and resid 87 and name HB3 )) (( segid " " and resid 112 and name HG )) 3.600 1.600 1.600 peak 4430 spectrum 1 weight 0.10000E+01 volume 0.22377E-02 ppm1 2.824 ppm2 1.484 CV 1 OR { 4430} (( segid " " and resid 87 and name HB3 )) (( segid " " and resid 86 and name HG2 )) ASSI { 4433} (( segid " " and resid 87 and name HB3 )) (( segid " " and resid 66 and name HB2 )) 4.300 2.300 1.700 peak 4433 spectrum 1 weight 0.10000E+01 volume 0.11457E-02 ppm1 2.824 ppm2 1.865 CV 1 OR { 4433} (( segid " " and resid 87 and name HB3 )) (( segid " " and resid 83 and name HB2 )) ASSI { 4436} (( segid " " and resid 87 and name HB2 )) (( segid " " and resid 83 and name HB2 )) 3.800 1.800 1.800 peak 4436 spectrum 1 weight 0.10000E+01 volume 0.13466E-02 ppm1 3.088 ppm2 1.869 CV 1 OR { 4436} (( segid " " and resid 87 and name HB2 )) (( segid " " and resid 88 and name HG3 )) ASSI { 4455} (( segid " " and resid 88 and name HD3 )) (( segid " " and resid 86 and name HG2 )) 3.500 1.500 1.500 peak 4455 spectrum 1 weight 0.10000E+01 volume 0.55804E-03 ppm1 3.191 ppm2 1.502 CV 1 OR { 4455} (( segid " " and resid 88 and name HD3 )) (( segid " " and resid 62 and name HG3 )) OR { 4455} (( segid " " and resid 88 and name HD3 )) (( segid " " and resid 112 and name HG )) ASSI { 4459} (( segid " " and resid 88 and name HD3 )) (( segid " " and resid 86 and name HA )) 3.000 1.200 1.200 peak 4459 spectrum 1 weight 0.10000E+01 volume 0.17584E-02 ppm1 3.191 ppm2 4.322 CV 1 OR { 4459} (( segid " " and resid 88 and name HD3 )) (( segid " " and resid 64 and name HA )) ASSI { 4463} (( segid " " and resid 88 and name HD3 )) (( segid " " and resid 87 and name HB3 )) 5.000 3.200 1.000 peak 4463 spectrum 1 weight 0.10000E+01 volume 0.53294E-03 ppm1 3.191 ppm2 2.800 CV 1 OR { 4463} (( segid " " and resid 88 and name HD3 )) (( segid " " and resid 89 and name HB2 )) OR { 4463} (( segid " " and resid 88 and name HD3 )) (( segid " " and resid 64 and name HB3 )) ASSI { 4465} (( segid " " and resid 88 and name HD2 )) (( segid " " and resid 64 and name HA )) 2.900 1.000 1.000 peak 4465 spectrum 1 weight 0.10000E+01 volume 0.20588E-02 ppm1 3.436 ppm2 4.326 CV 1 OR { 4465} (( segid " " and resid 88 and name HD2 )) (( segid " " and resid 86 and name HA )) ASSI { 4468} (( segid " " and resid 88 and name HD2 )) (( segid " " and resid 89 and name HB2 )) 4.100 2.100 1.900 peak 4468 spectrum 1 weight 0.10000E+01 volume 0.81484E-03 ppm1 3.436 ppm2 2.800 CV 1 OR { 4468} (( segid " " and resid 88 and name HD2 )) (( segid " " and resid 87 and name HB3 )) OR { 4468} (( segid " " and resid 88 and name HD2 )) (( segid " " and resid 64 and name HB3 )) ASSI { 4475} (( segid " " and resid 88 and name HD2 )) (( segid " " and resid 62 and name HG3 )) 3.600 1.600 1.600 peak 4475 spectrum 1 weight 0.10000E+01 volume 0.55198E-03 ppm1 3.436 ppm2 1.489 CV 1 OR { 4475} (( segid " " and resid 88 and name HD2 )) (( segid " " and resid 112 and name HG )) ASSI { 4478} (( segid " " and resid 138 and name HG )) (( segid " " and resid 138 and name HN )) 3.600 1.600 1.600 peak 4478 spectrum 1 weight 0.10000E+01 volume 0.24714E-02 ppm1 1.675 ppm2 7.506 CV 1 OR { 4478} (( segid " " and resid 34 and name HG13)) (( segid " " and resid 33 and name HN )) ASSI { 4483} (( segid " " and resid 90 and name HG )) (( segid " " and resid 92 and name HN )) 3.400 1.500 1.500 peak 4483 spectrum 1 weight 0.10000E+01 volume 0.90904E-03 ppm1 1.681 ppm2 8.201 CV 1 OR { 4483} (( segid " " and resid 90 and name HG )) (( segid " " and resid 68 and name HN )) ASSI { 4497} (( segid " " and resid 91 and name HB3 )) ( segid " " and resid 90 and name HD1%) 4.700 2.700 1.300 peak 4497 spectrum 1 weight 0.10000E+01 volume 0.66762E-03 ppm1 1.797 ppm2 0.881 CV 1 OR { 4497} (( segid " " and resid 91 and name HB3 )) ( segid " " and resid 90 and name HD2%) OR { 4497} (( segid " " and resid 91 and name HB3 )) ( segid " " and resid 115 and name HD1%) ASSI { 4498} (( segid " " and resid 91 and name HB2 )) ( segid " " and resid 90 and name HD1%) 4.600 2.700 1.400 peak 4498 spectrum 1 weight 0.10000E+01 volume 0.70696E-03 ppm1 1.837 ppm2 0.880 CV 1 OR { 4498} (( segid " " and resid 91 and name HB2 )) ( segid " " and resid 90 and name HD2%) OR { 4498} (( segid " " and resid 91 and name HB2 )) ( segid " " and resid 115 and name HD1%) ASSI { 4503} (( segid " " and resid 91 and name HG3 )) (( segid " " and resid 91 and name HE2 )) 2.900 1.100 1.100 peak 4503 spectrum 1 weight 0.10000E+01 volume 0.37761E-02 ppm1 1.426 ppm2 3.038 CV 1 OR { 4503} (( segid " " and resid 91 and name HG3 )) (( segid " " and resid 91 and name HE3 )) OR { 4503} (( segid " " and resid 86 and name HG3 )) (( segid " " and resid 86 and name HE2 )) ASSI { 4508} (( segid " " and resid 93 and name HB2 )) ( segid " " and resid 93 and name HD1%) 2.600 0.900 0.900 peak 4508 spectrum 1 weight 0.10000E+01 volume 0.44968E-02 ppm1 1.995 ppm2 0.772 CV 1 OR { 4508} (( segid " " and resid 93 and name HB2 )) ( segid " " and resid 115 and name HD2%) ASSI { 4511} (( segid " " and resid 93 and name HB3 )) ( segid " " and resid 93 and name HD1%) 2.800 1.000 1.000 peak 4511 spectrum 1 weight 0.10000E+01 volume 0.64137E-02 ppm1 1.273 ppm2 0.752 CV 1 OR { 4511} (( segid " " and resid 93 and name HB3 )) ( segid " " and resid 115 and name HD2%) OR { 4511} (( segid " " and resid 93 and name HB3 )) ( segid " " and resid 109 and name HD2%) ASSI { 4513} (( segid " " and resid 93 and name HG )) ( segid " " and resid 93 and name HD1%) 2.300 0.700 0.700 peak 4513 spectrum 1 weight 0.10000E+01 volume 0.91320E-02 ppm1 1.361 ppm2 0.763 CV 1 OR { 4513} (( segid " " and resid 69 and name HG )) ( segid " " and resid 66 and name HD2%) OR { 4513} (( segid " " and resid 93 and name HG )) ( segid " " and resid 95 and name HD2%) ASSI { 4515} (( segid " " and resid 69 and name HG )) (( segid " " and resid 69 and name HB2 )) 2.600 0.900 0.900 peak 4515 spectrum 1 weight 0.10000E+01 volume 0.36027E-02 ppm1 1.361 ppm2 1.988 CV 1 OR { 4515} (( segid " " and resid 93 and name HG )) (( segid " " and resid 93 and name HB2 )) ASSI { 4520} (( segid " " and resid 92 and name HB2 )) (( segid " " and resid 92 and name HN )) 3.600 1.600 1.600 peak 4520 spectrum 1 weight 0.10000E+01 volume 0.11391E-02 ppm1 3.113 ppm2 8.189 CV 1 OR { 4520} (( segid " " and resid 92 and name HB2 )) (( segid " " and resid 93 and name HN )) ASSI { 4521} (( segid " " and resid 92 and name HB3 )) (( segid " " and resid 92 and name HN )) 3.100 1.200 1.200 peak 4521 spectrum 1 weight 0.10000E+01 volume 0.14288E-02 ppm1 3.013 ppm2 8.181 CV 1 OR { 4521} (( segid " " and resid 92 and name HB3 )) (( segid " " and resid 93 and name HN )) OR { 4521} (( segid " " and resid 92 and name HB3 )) (( segid " " and resid 92 and name HE1 )) ASSI { 4527} (( segid " " and resid 63 and name HB2 )) (( segid " " and resid 66 and name HB3 )) 3.400 1.400 1.400 peak 4527 spectrum 1 weight 0.10000E+01 volume 0.29923E-02 ppm1 1.780 ppm2 1.466 CV 1 OR { 4527} (( segid " " and resid 138 and name HB2 )) (( segid " " and resid 139 and name HG )) ASSI { 4538} (( segid " " and resid 4 and name HA )) (( segid " " and resid 7 and name HN )) 3.600 1.600 1.600 peak 4538 spectrum 1 weight 0.10000E+01 volume 0.11272E-02 ppm1 4.150 ppm2 8.432 CV 1 OR { 4538} (( segid " " and resid 4 and name HA )) (( segid " " and resid 3 and name HN )) ASSI { 4545} ( segid " " and resid 138 and name HD2%) (( segid " " and resid 138 and name HA )) 2.800 1.000 1.000 peak 4545 spectrum 1 weight 0.10000E+01 volume 0.14562E-01 ppm1 0.924 ppm2 4.079 CV 1 OR { 4545} ( segid " " and resid 9 and name HD2%) (( segid " " and resid 9 and name HA )) ASSI { 4554} ( segid " " and resid 138 and name HD2%) (( segid " " and resid 109 and name HB2 )) 3.000 1.100 1.100 peak 4554 spectrum 1 weight 0.10000E+01 volume 0.26472E-02 ppm1 0.924 ppm2 2.184 CV 1 OR { 4554} ( segid " " and resid 138 and name HD2%) (( segid " " and resid 106 and name HB )) OR { 4554} ( segid " " and resid 9 and name HD2%) (( segid " " and resid 10 and name HB2 )) ASSI { 4555} ( segid " " and resid 9 and name HD2%) (( segid " " and resid 9 and name HB3 )) 2.500 0.800 0.800 peak 4555 spectrum 1 weight 0.10000E+01 volume 0.66642E-02 ppm1 0.924 ppm2 1.788 CV 1 OR { 4555} ( segid " " and resid 138 and name HD2%) (( segid " " and resid 138 and name HB2 )) ASSI { 4556} ( segid " " and resid 138 and name HD2%) (( segid " " and resid 103 and name HB3 )) 2.600 0.800 0.800 peak 4556 spectrum 1 weight 0.10000E+01 volume 0.36951E-02 ppm1 0.924 ppm2 1.505 CV 1 OR { 4556} ( segid " " and resid 9 and name HD2%) (( segid " " and resid 6 and name HG3 )) ASSI { 4561} (( segid " " and resid 100 and name HG13)) (( segid " " and resid 100 and name HG12)) 1.500 0.300 0.700 peak 4561 spectrum 1 weight 0.10000E+01 volume 0.15712E-01 ppm1 1.265 ppm2 1.429 CV 1 OR { 4561} (( segid " " and resid 86 and name HD3 )) (( segid " " and resid 86 and name HD2 )) OR { 4561} (( segid " " and resid 86 and name HD3 )) (( segid " " and resid 86 and name HG3 )) ASSI { 4562} (( segid " " and resid 106 and name HG13)) ( segid " " and resid 106 and name HD1%) 2.600 0.800 0.800 peak 4562 spectrum 1 weight 0.10000E+01 volume 0.46489E-02 ppm1 1.265 ppm2 0.751 CV 1 OR { 4562} (( segid " " and resid 100 and name HG13)) ( segid " " and resid 100 and name HG2%) OR { 4562} (( segid " " and resid 106 and name HG13)) ( segid " " and resid 106 and name HG2%) OR { 4562} (( segid " " and resid 100 and name HG13)) ( segid " " and resid 106 and name HG2%) OR { 4562} (( segid " " and resid 106 and name HG13)) ( segid " " and resid 100 and name HG2%) OR { 4562} (( segid " " and resid 100 and name HG13)) ( segid " " and resid 95 and name HD1%) ASSI { 4563} (( segid " " and resid 86 and name HD3 )) (( segid " " and resid 62 and name HN )) 3.900 1.900 1.900 peak 4563 spectrum 1 weight 0.10000E+01 volume 0.76713E-03 ppm1 1.265 ppm2 7.914 CV 1 OR { 4563} (( segid " " and resid 100 and name HG13)) (( segid " " and resid 99 and name HN )) ASSI { 4570} (( segid " " and resid 140 and name HG2 )) (( segid " " and resid 138 and name HN )) 4.500 2.500 1.500 peak 4570 spectrum 1 weight 0.10000E+01 volume 0.72605E-03 ppm1 2.009 ppm2 7.510 CV 1 OR { 4570} (( segid " " and resid 140 and name HG2 )) (( segid " " and resid 142 and name HN )) ASSI { 4571} (( segid " " and resid 156 and name HG2 )) (( segid " " and resid 156 and name HG3 )) 1.600 0.300 0.600 peak 4571 spectrum 1 weight 0.10000E+01 volume 0.16905E-01 ppm1 2.009 ppm2 1.869 CV 1 OR { 4571} (( segid " " and resid 88 and name HG2 )) (( segid " " and resid 88 and name HG3 )) OR { 4571} (( segid " " and resid 156 and name HG2 )) (( segid " " and resid 156 and name HB3 )) ASSI { 4578} (( segid " " and resid 138 and name HG )) ( segid " " and resid 138 and name HD1%) 2.500 0.800 0.800 peak 4578 spectrum 1 weight 0.10000E+01 volume 0.60083E-02 ppm1 1.675 ppm2 0.800 CV 1 OR { 4578} (( segid " " and resid 90 and name HG )) ( segid " " and resid 66 and name HD2%) ASSI { 4579} (( segid " " and resid 90 and name HG )) ( segid " " and resid 90 and name HD1%) 2.000 0.500 0.500 peak 4579 spectrum 1 weight 0.10000E+01 volume 0.13954E-01 ppm1 1.675 ppm2 0.909 CV 1 OR { 4579} (( segid " " and resid 103 and name HG )) ( segid " " and resid 103 and name HD1%) OR { 4579} (( segid " " and resid 138 and name HG )) ( segid " " and resid 138 and name HD2%) ASSI { 4580} (( segid " " and resid 138 and name HG )) (( segid " " and resid 135 and name HA )) 4.300 2.300 1.700 peak 4580 spectrum 1 weight 0.10000E+01 volume 0.84224E-03 ppm1 1.675 ppm2 3.333 CV 1 OR { 4580} (( segid " " and resid 103 and name HG )) (( segid " " and resid 135 and name HA )) ASSI { 4583} ( segid " " and resid 103 and name HD1%) (( segid " " and resid 137 and name HB2 )) 3.400 1.400 1.400 peak 4583 spectrum 1 weight 0.10000E+01 volume 0.24862E-02 ppm1 0.868 ppm2 1.851 CV 1 OR { 4583} ( segid " " and resid 90 and name HD2%) (( segid " " and resid 68 and name HB2 )) OR { 4583} ( segid " " and resid 103 and name HD1%) (( segid " " and resid 137 and name HB3 )) OR { 4583} ( segid " " and resid 103 and name HD1%) (( segid " " and resid 128 and name HB2 )) OR { 4583} ( segid " " and resid 90 and name HD2%) (( segid " " and resid 91 and name HB2 )) ASSI { 4592} (( segid " " and resid 91 and name HG3 )) (( segid " " and resid 91 and name HG2 )) 1.700 0.400 0.500 peak 4592 spectrum 1 weight 0.10000E+01 volume 0.21304E-01 ppm1 1.426 ppm2 1.770 CV 1 OR { 4592} (( segid " " and resid 91 and name HG3 )) (( segid " " and resid 91 and name HD3 )) OR { 4592} (( segid " " and resid 86 and name HG3 )) (( segid " " and resid 86 and name HB3 )) OR { 4592} (( segid " " and resid 91 and name HG3 )) (( segid " " and resid 91 and name HD2 )) ASSI { 4602} (( segid " " and resid 90 and name HB2 )) (( segid " " and resid 92 and name HN )) 4.800 2.900 1.200 peak 4602 spectrum 1 weight 0.10000E+01 volume 0.54581E-03 ppm1 1.742 ppm2 8.189 CV 1 OR { 4602} (( segid " " and resid 90 and name HB2 )) (( segid " " and resid 68 and name HN )) OR { 4602} (( segid " " and resid 63 and name HB2 )) (( segid " " and resid 68 and name HN )) ASSI { 4603} (( segid " " and resid 90 and name HB2 )) (( segid " " and resid 89 and name HN )) 4.300 2.300 1.700 peak 4603 spectrum 1 weight 0.10000E+01 volume 0.63781E-03 ppm1 1.742 ppm2 8.692 CV 1 OR { 4603} (( segid " " and resid 63 and name HB2 )) (( segid " " and resid 65 and name HN )) ASSI { 4605} ( segid " " and resid 90 and name HD1%) (( segid " " and resid 94 and name HN )) 4.500 2.500 1.500 peak 4605 spectrum 1 weight 0.10000E+01 volume 0.53910E-03 ppm1 0.913 ppm2 8.470 CV 1 OR { 4605} ( segid " " and resid 120 and name HD1%) (( segid " " and resid 118 and name HN )) OR { 4605} ( segid " " and resid 90 and name HD1%) (( segid " " and resid 87 and name HN )) ASSI { 4607} (( segid " " and resid 103 and name HG )) (( segid " " and resid 104 and name HN )) 4.500 2.500 1.500 peak 4607 spectrum 1 weight 0.10000E+01 volume 0.58244E-03 ppm1 1.680 ppm2 8.339 CV 1 OR { 4607} (( segid " " and resid 90 and name HG )) (( segid " " and resid 69 and name HN )) OR { 4607} (( segid " " and resid 34 and name HG13)) (( segid " " and resid 36 and name HN )) OR { 4607} (( segid " " and resid 34 and name HG12)) (( segid " " and resid 36 and name HN )) ASSI { 4608} (( segid " " and resid 91 and name HG3 )) (( segid " " and resid 67 and name HA )) 4.200 2.200 1.800 peak 4608 spectrum 1 weight 0.10000E+01 volume 0.50728E-03 ppm1 1.426 ppm2 4.837 CV 1 OR { 4608} (( segid " " and resid 91 and name HG3 )) (( segid " " and resid 114 and name HA )) OR { 4608} (( segid " " and resid 91 and name HG3 )) (( segid " " and resid 116 and name HA )) ASSI { 4622} (( segid " " and resid 99 and name HG2 )) (( segid " " and resid 124 and name HB3 )) 4.100 2.100 1.900 peak 4622 spectrum 1 weight 0.10000E+01 volume 0.12434E-02 ppm1 1.443 ppm2 2.032 CV 1 OR { 4622} (( segid " " and resid 99 and name HG2 )) (( segid " " and resid 124 and name HB2 )) OR { 4622} (( segid " " and resid 99 and name HG2 )) (( segid " " and resid 100 and name HB )) ASSI { 4624} (( segid " " and resid 101 and name HG3 )) (( segid " " and resid 101 and name HD3 )) 2.200 0.600 0.600 peak 4624 spectrum 1 weight 0.10000E+01 volume 0.12476E-01 ppm1 1.315 ppm2 1.648 CV 1 OR { 4624} (( segid " " and resid 99 and name HG3 )) (( segid " " and resid 99 and name HD3 )) OR { 4624} (( segid " " and resid 99 and name HG3 )) (( segid " " and resid 99 and name HD2 )) OR { 4624} (( segid " " and resid 101 and name HG3 )) (( segid " " and resid 101 and name HD2 )) ASSI { 4626} (( segid " " and resid 101 and name HG3 )) (( segid " " and resid 124 and name HB2 )) 3.600 1.600 1.600 peak 4626 spectrum 1 weight 0.10000E+01 volume 0.21674E-02 ppm1 1.315 ppm2 2.033 CV 1 OR { 4626} (( segid " " and resid 99 and name HG3 )) (( segid " " and resid 124 and name HB3 )) OR { 4626} (( segid " " and resid 101 and name HG3 )) (( segid " " and resid 124 and name HB3 )) OR { 4626} (( segid " " and resid 99 and name HG3 )) (( segid " " and resid 124 and name HB2 )) OR { 4626} (( segid " " and resid 99 and name HG3 )) (( segid " " and resid 100 and name HB )) ASSI { 4638} (( segid " " and resid 50 and name HG12)) (( segid " " and resid 50 and name HB )) 2.100 0.600 0.600 peak 4638 spectrum 1 weight 0.10000E+01 volume 0.12476E-01 ppm1 1.644 ppm2 1.319 CV 1 OR { 4638} (( segid " " and resid 50 and name HG13)) (( segid " " and resid 50 and name HB )) OR { 4638} (( segid " " and resid 99 and name HD3 )) (( segid " " and resid 99 and name HG3 )) OR { 4638} (( segid " " and resid 99 and name HD2 )) (( segid " " and resid 99 and name HG3 )) ASSI { 4641} (( segid " " and resid 100 and name HA )) ( segid " " and resid 105 and name HG2%) 2.600 0.800 0.800 peak 4641 spectrum 1 weight 0.10000E+01 volume 0.34513E-02 ppm1 4.191 ppm2 1.378 CV 1 OR { 4641} (( segid " " and resid 100 and name HA )) (( segid " " and resid 100 and name HG12)) ASSI { 4643} (( segid " " and resid 100 and name HA )) ( segid " " and resid 100 and name HG2%) 2.400 0.700 0.700 peak 4643 spectrum 1 weight 0.10000E+01 volume 0.58695E-02 ppm1 4.191 ppm2 0.772 CV 1 OR { 4643} (( segid " " and resid 100 and name HA )) ( segid " " and resid 106 and name HG2%) ASSI { 4665} (( segid " " and resid 101 and name HG2 )) (( segid " " and resid 124 and name HB2 )) 3.900 1.900 1.900 peak 4665 spectrum 1 weight 0.10000E+01 volume 0.10765E-02 ppm1 1.364 ppm2 2.026 CV 1 OR { 4665} (( segid " " and resid 101 and name HG2 )) (( segid " " and resid 124 and name HB3 )) OR { 4665} (( segid " " and resid 101 and name HG2 )) (( segid " " and resid 100 and name HB )) ASSI { 4666} (( segid " " and resid 101 and name HD2 )) (( segid " " and resid 101 and name HA )) 3.800 1.800 1.800 peak 4666 spectrum 1 weight 0.10000E+01 volume 0.17799E-02 ppm1 1.664 ppm2 4.204 CV 1 OR { 4666} (( segid " " and resid 101 and name HD3 )) (( segid " " and resid 101 and name HA )) OR { 4666} (( segid " " and resid 132 and name HB2 )) (( segid " " and resid 130 and name HA )) ASSI { 4677} (( segid " " and resid 100 and name HG12)) (( segid " " and resid 99 and name HN )) 3.600 1.600 1.600 peak 4677 spectrum 1 weight 0.10000E+01 volume 0.79995E-03 ppm1 1.398 ppm2 7.911 CV 1 OR { 4677} (( segid " " and resid 66 and name HG )) (( segid " " and resid 47 and name HN )) ASSI { 4678} (( segid " " and resid 65 and name HG3 )) (( segid " " and resid 64 and name HN )) 4.200 2.200 1.800 peak 4678 spectrum 1 weight 0.10000E+01 volume 0.75165E-03 ppm1 1.275 ppm2 8.946 CV 1 OR { 4678} (( segid " " and resid 22 and name HG )) (( segid " " and resid 24 and name HN )) OR { 4678} (( segid " " and resid 100 and name HG13)) (( segid " " and resid 101 and name HN )) ASSI { 4683} (( segid " " and resid 103 and name HG )) (( segid " " and resid 103 and name HB3 )) 2.800 1.000 1.000 peak 4683 spectrum 1 weight 0.10000E+01 volume 0.42048E-02 ppm1 1.700 ppm2 1.484 CV 1 OR { 4683} (( segid " " and resid 138 and name HG )) (( segid " " and resid 139 and name HG )) ASSI { 4696} (( segid " " and resid 106 and name HG12)) ( segid " " and resid 106 and name HD1%) 2.100 0.500 0.500 peak 4696 spectrum 1 weight 0.10000E+01 volume 0.13042E-01 ppm1 1.513 ppm2 0.775 CV 1 OR { 4696} (( segid " " and resid 106 and name HG12)) ( segid " " and resid 106 and name HG2%) OR { 4696} (( segid " " and resid 106 and name HG12)) ( segid " " and resid 100 and name HG2%) ASSI { 4699} (( segid " " and resid 106 and name HG12)) (( segid " " and resid 106 and name HA )) 3.700 1.800 1.800 peak 4699 spectrum 1 weight 0.10000E+01 volume 0.12029E-02 ppm1 1.513 ppm2 4.322 CV 1 OR { 4699} (( segid " " and resid 75 and name HG2 )) (( segid " " and resid 55 and name HA )) ASSI { 4713} (( segid " " and resid 106 and name HG13)) (( segid " " and resid 106 and name HG12)) 1.600 0.300 0.600 peak 4713 spectrum 1 weight 0.10000E+01 volume 0.14586E-01 ppm1 1.244 ppm2 1.508 CV 1 OR { 4713} (( segid " " and resid 86 and name HD3 )) (( segid " " and resid 86 and name HG2 )) OR { 4713} (( segid " " and resid 86 and name HD3 )) (( segid " " and resid 60 and name HB3 )) ASSI { 4716} ( segid " " and resid 106 and name HD1%) (( segid " " and resid 125 and name HN )) 4.700 2.800 1.300 peak 4716 spectrum 1 weight 0.10000E+01 volume 0.60143E-03 ppm1 0.764 ppm2 8.146 CV 1 OR { 4716} ( segid " " and resid 106 and name HD1%) (( segid " " and resid 136 and name HN )) OR { 4716} ( segid " " and resid 57 and name HD1%) (( segid " " and resid 86 and name HN )) ASSI { 4717} (( segid " " and resid 108 and name HB2 )) ( segid " " and resid 109 and name HD2%) 3.600 1.600 1.600 peak 4717 spectrum 1 weight 0.10000E+01 volume 0.10455E-02 ppm1 2.393 ppm2 0.754 CV 1 OR { 4717} (( segid " " and resid 108 and name HB2 )) ( segid " " and resid 83 and name HD1%) OR { 4717} (( segid " " and resid 108 and name HB2 )) ( segid " " and resid 139 and name HD2%) OR { 4717} (( segid " " and resid 108 and name HB2 )) ( segid " " and resid 106 and name HG2%) ASSI { 4718} (( segid " " and resid 108 and name HB2 )) ( segid " " and resid 80 and name HD1%) 4.100 2.100 1.900 peak 4718 spectrum 1 weight 0.10000E+01 volume 0.81008E-03 ppm1 2.393 ppm2 0.818 CV 1 OR { 4718} (( segid " " and resid 108 and name HB2 )) ( segid " " and resid 109 and name HD1%) ASSI { 4723} (( segid " " and resid 109 and name HB3 )) ( segid " " and resid 109 and name HD1%) 2.500 0.800 0.800 peak 4723 spectrum 1 weight 0.10000E+01 volume 0.51339E-02 ppm1 1.361 ppm2 0.764 CV 1 OR { 4723} (( segid " " and resid 109 and name HB3 )) ( segid " " and resid 109 and name HD2%) OR { 4723} (( segid " " and resid 109 and name HB3 )) ( segid " " and resid 139 and name HD2%) ASSI { 4724} (( segid " " and resid 109 and name HB3 )) ( segid " " and resid 112 and name HD1%) 3.800 1.800 1.800 peak 4724 spectrum 1 weight 0.10000E+01 volume 0.11635E-02 ppm1 1.361 ppm2 0.921 CV 1 OR { 4724} (( segid " " and resid 109 and name HB3 )) ( segid " " and resid 93 and name HD2%) OR { 4724} (( segid " " and resid 109 and name HB3 )) ( segid " " and resid 138 and name HD2%) ASSI { 4725} (( segid " " and resid 109 and name HB3 )) (( segid " " and resid 109 and name HG )) 3.200 1.300 1.300 peak 4725 spectrum 1 weight 0.10000E+01 volume 0.17227E-02 ppm1 1.361 ppm2 1.739 CV 1 OR { 4725} (( segid " " and resid 109 and name HB3 )) (( segid " " and resid 112 and name HB3 )) ASSI { 4728} (( segid " " and resid 109 and name HG )) (( segid " " and resid 109 and name HB2 )) 2.600 0.800 0.800 peak 4728 spectrum 1 weight 0.10000E+01 volume 0.21644E-02 ppm1 1.730 ppm2 2.157 CV 1 OR { 4728} (( segid " " and resid 109 and name HG )) (( segid " " and resid 106 and name HB )) ASSI { 4740} ( segid " " and resid 83 and name HD1%) ( segid " " and resid 83 and name HD2%) 2.100 0.600 0.600 peak 4740 spectrum 1 weight 0.10000E+01 volume 0.15105E-01 ppm1 0.792 ppm2 0.639 CV 1 OR { 4740} ( segid " " and resid 83 and name HD1%) ( segid " " and resid 80 and name HD2%) ASSI { 4743} ( segid " " and resid 109 and name HD1%) ( segid " " and resid 139 and name HD1%) 2.300 0.600 0.600 peak 4743 spectrum 1 weight 0.10000E+01 volume 0.10711E-01 ppm1 0.803 ppm2 0.629 CV 1 OR { 4743} ( segid " " and resid 109 and name HD1%) ( segid " " and resid 118 and name HD1%) ASSI { 4744} ( segid " " and resid 109 and name HD2%) (( segid " " and resid 109 and name HB2 )) 3.400 1.400 1.400 peak 4744 spectrum 1 weight 0.10000E+01 volume 0.35163E-02 ppm1 0.732 ppm2 2.156 CV 1 OR { 4744} ( segid " " and resid 109 and name HD2%) (( segid " " and resid 106 and name HB )) ASSI { 4745} ( segid " " and resid 109 and name HD2%) (( segid " " and resid 112 and name HB2 )) 3.500 1.600 1.600 peak 4745 spectrum 1 weight 0.10000E+01 volume 0.15766E-02 ppm1 0.732 ppm2 1.999 CV 1 OR { 4745} ( segid " " and resid 109 and name HD2%) (( segid " " and resid 93 and name HB2 )) OR { 4745} ( segid " " and resid 47 and name HD2%) (( segid " " and resid 69 and name HB2 )) OR { 4745} ( segid " " and resid 103 and name HD2%) (( segid " " and resid 128 and name HG )) ASSI { 4746} ( segid " " and resid 109 and name HD2%) (( segid " " and resid 109 and name HG )) 2.300 0.600 0.600 peak 4746 spectrum 1 weight 0.10000E+01 volume 0.82917E-02 ppm1 0.732 ppm2 1.733 CV 1 OR { 4746} ( segid " " and resid 103 and name HD2%) (( segid " " and resid 103 and name HG )) OR { 4746} ( segid " " and resid 103 and name HD2%) (( segid " " and resid 103 and name HB2 )) ASSI { 4751} ( segid " " and resid 109 and name HD1%) (( segid " " and resid 106 and name HB )) 2.100 0.600 0.600 peak 4751 spectrum 1 weight 0.10000E+01 volume 0.89531E-02 ppm1 0.803 ppm2 2.152 CV 1 OR { 4751} ( segid " " and resid 109 and name HD1%) (( segid " " and resid 109 and name HB2 )) ASSI { 4765} (( segid " " and resid 110 and name HB3 )) ( segid " " and resid 139 and name HD2%) 2.800 1.000 1.000 peak 4765 spectrum 1 weight 0.10000E+01 volume 0.30764E-02 ppm1 1.927 ppm2 0.741 CV 1 OR { 4765} (( segid " " and resid 35 and name HB3 )) ( segid " " and resid 34 and name HG2%) OR { 4765} (( segid " " and resid 35 and name HB2 )) ( segid " " and resid 34 and name HG2%) ASSI { 4766} (( segid " " and resid 109 and name HB2 )) ( segid " " and resid 138 and name HD2%) 4.500 2.500 1.500 peak 4766 spectrum 1 weight 0.10000E+01 volume 0.63961E-03 ppm1 2.152 ppm2 0.945 CV 1 OR { 4766} (( segid " " and resid 109 and name HB2 )) ( segid " " and resid 93 and name HD2%) OR { 4766} (( segid " " and resid 109 and name HB2 )) ( segid " " and resid 112 and name HD1%) ASSI { 4777} (( segid " " and resid 153 and name HB3 )) (( segid " " and resid 153 and name HG2 )) 2.600 0.800 0.800 peak 4777 spectrum 1 weight 0.10000E+01 volume 0.51339E-02 ppm1 1.927 ppm2 1.526 CV 1 OR { 4777} (( segid " " and resid 110 and name HB3 )) (( segid " " and resid 110 and name HG3 )) ASSI { 4781} (( segid " " and resid 110 and name HE2 )) (( segid " " and resid 110 and name HA )) 4.200 2.300 1.800 peak 4781 spectrum 1 weight 0.10000E+01 volume 0.11970E-02 ppm1 3.025 ppm2 3.941 CV 1 OR { 4781} (( segid " " and resid 110 and name HE3 )) (( segid " " and resid 110 and name HA )) OR { 4781} (( segid " " and resid 110 and name HE3 )) (( segid " " and resid 107 and name HA )) ASSI { 4787} (( segid " " and resid 111 and name HE3 )) (( segid " " and resid 111 and name HN )) 3.000 3.000 3.000 peak 4787 spectrum 1 weight 0.10000E+01 volume 0.74153E-03 ppm1 2.995 ppm2 6.985 CV 1 OR { 4787} (( segid " " and resid 111 and name HE2 )) (( segid " " and resid 111 and name HN )) OR { 4787} (( segid " " and resid 111 and name HE2 )) (( segid " " and resid 85 and name HN )) ASSI { 4791} (( segid " " and resid 112 and name HB2 )) (( segid " " and resid 115 and name HG )) 3.100 1.200 1.200 peak 4791 spectrum 1 weight 0.10000E+01 volume 0.16356E-02 ppm1 2.022 ppm2 1.351 CV 1 OR { 4791} (( segid " " and resid 112 and name HB2 )) ( segid " " and resid 84 and name HB% ) OR { 4791} (( segid " " and resid 112 and name HB2 )) (( segid " " and resid 115 and name HB3 )) ASSI { 4793} (( segid " " and resid 112 and name HB2 )) ( segid " " and resid 115 and name HD1%) 3.100 1.200 1.200 peak 4793 spectrum 1 weight 0.10000E+01 volume 0.23640E-02 ppm1 2.022 ppm2 0.846 CV 1 OR { 4793} (( segid " " and resid 112 and name HB2 )) ( segid " " and resid 112 and name HD2%) ASSI { 4796} (( segid " " and resid 112 and name HB3 )) (( segid " " and resid 115 and name HG )) 2.900 1.000 1.000 peak 4796 spectrum 1 weight 0.10000E+01 volume 0.19045E-02 ppm1 1.766 ppm2 1.354 CV 1 OR { 4796} (( segid " " and resid 112 and name HB3 )) (( segid " " and resid 115 and name HB3 )) OR { 4796} (( segid " " and resid 112 and name HB3 )) ( segid " " and resid 84 and name HB% ) ASSI { 4798} (( segid " " and resid 112 and name HB3 )) ( segid " " and resid 112 and name HD2%) 2.800 1.000 1.000 peak 4798 spectrum 1 weight 0.10000E+01 volume 0.30460E-02 ppm1 1.766 ppm2 0.840 CV 1 OR { 4798} (( segid " " and resid 112 and name HB3 )) ( segid " " and resid 115 and name HD1%) ASSI { 4799} ( segid " " and resid 112 and name HD1%) ( segid " " and resid 112 and name HD2%) 2.000 0.500 0.500 peak 4799 spectrum 1 weight 0.10000E+01 volume 0.25131E-01 ppm1 0.947 ppm2 0.819 CV 1 OR { 4799} ( segid " " and resid 112 and name HD1%) ( segid " " and resid 115 and name HD2%) OR { 4799} ( segid " " and resid 112 and name HD1%) ( segid " " and resid 115 and name HD1%) ASSI { 4801} ( segid " " and resid 112 and name HD1%) (( segid " " and resid 115 and name HG )) 2.800 1.000 1.000 peak 4801 spectrum 1 weight 0.10000E+01 volume 0.71172E-02 ppm1 0.947 ppm2 1.358 CV 1 OR { 4801} ( segid " " and resid 112 and name HD1%) ( segid " " and resid 84 and name HB% ) OR { 4801} ( segid " " and resid 112 and name HD1%) (( segid " " and resid 109 and name HB3 )) OR { 4801} ( segid " " and resid 112 and name HD1%) (( segid " " and resid 115 and name HB3 )) ASSI { 4802} ( segid " " and resid 112 and name HD1%) (( segid " " and resid 112 and name HB3 )) 2.300 0.700 0.700 peak 4802 spectrum 1 weight 0.10000E+01 volume 0.80652E-02 ppm1 0.947 ppm2 1.751 CV 1 OR { 4802} ( segid " " and resid 112 and name HD1%) (( segid " " and resid 90 and name HB2 )) ASSI { 4805} ( segid " " and resid 112 and name HD1%) (( segid " " and resid 109 and name HB2 )) 4.100 2.100 1.900 peak 4805 spectrum 1 weight 0.10000E+01 volume 0.12989E-02 ppm1 0.947 ppm2 2.143 CV 1 OR { 4805} ( segid " " and resid 112 and name HD1%) (( segid " " and resid 106 and name HB )) ASSI { 4814} (( segid " " and resid 112 and name HG )) (( segid " " and resid 111 and name HN )) 4.200 2.200 1.800 peak 4814 spectrum 1 weight 0.10000E+01 volume 0.71527E-03 ppm1 1.503 ppm2 6.991 CV 1 OR { 4814} (( segid " " and resid 112 and name HG )) (( segid " " and resid 115 and name HN )) ASSI { 4816} ( segid " " and resid 112 and name HD1%) (( segid " " and resid 112 and name HN )) 3.500 1.600 1.600 peak 4816 spectrum 1 weight 0.10000E+01 volume 0.26931E-02 ppm1 0.947 ppm2 7.195 CV 1 OR { 4816} ( segid " " and resid 112 and name HD1%) (( segid " " and resid 90 and name HN )) ASSI { 4820} ( segid " " and resid 112 and name HD2%) (( segid " " and resid 112 and name HN )) 3.100 1.200 1.200 peak 4820 spectrum 1 weight 0.10000E+01 volume 0.35651E-02 ppm1 0.845 ppm2 7.195 CV 1 OR { 4820} ( segid " " and resid 112 and name HD2%) (( segid " " and resid 90 and name HN )) ASSI { 4837} (( segid " " and resid 113 and name HA )) (( segid " " and resid 113 and name HG3 )) 3.200 1.200 1.200 peak 4837 spectrum 1 weight 0.10000E+01 volume 0.42751E-02 ppm1 3.862 ppm2 2.248 CV 1 OR { 4837} (( segid " " and resid 113 and name HA )) (( segid " " and resid 141 and name HB2 )) ASSI { 4839} (( segid " " and resid 113 and name HA )) (( segid " " and resid 113 and name HB3 )) 2.500 0.800 0.800 peak 4839 spectrum 1 weight 0.10000E+01 volume 0.51645E-02 ppm1 3.862 ppm2 1.942 CV 1 OR { 4839} (( segid " " and resid 113 and name HA )) (( segid " " and resid 141 and name HB3 )) ASSI { 4841} ( segid " " and resid 112 and name HD2%) ( segid " " and resid 84 and name HB% ) 3.100 1.200 1.200 peak 4841 spectrum 1 weight 0.10000E+01 volume 0.60564E-02 ppm1 0.845 ppm2 1.340 CV 1 OR { 4841} ( segid " " and resid 112 and name HD2%) (( segid " " and resid 115 and name HG )) ASSI { 4845} ( segid " " and resid 112 and name HD2%) (( segid " " and resid 83 and name HB2 )) 3.300 1.300 1.300 peak 4845 spectrum 1 weight 0.10000E+01 volume 0.20535E-02 ppm1 0.845 ppm2 1.907 CV 1 OR { 4845} ( segid " " and resid 112 and name HD2%) (( segid " " and resid 113 and name HB3 )) OR { 4845} ( segid " " and resid 112 and name HD2%) (( segid " " and resid 141 and name HB3 )) ASSI { 4866} (( segid " " and resid 113 and name HG3 )) (( segid " " and resid 113 and name HB2 )) 2.200 0.600 0.600 peak 4866 spectrum 1 weight 0.10000E+01 volume 0.10527E-01 ppm1 2.257 ppm2 2.052 CV 1 OR { 4866} (( segid " " and resid 133 and name HG3 )) (( segid " " and resid 133 and name HB2 )) OR { 4866} (( segid " " and resid 133 and name HG2 )) (( segid " " and resid 133 and name HB2 )) ASSI { 4869} (( segid " " and resid 114 and name HB2 )) (( segid " " and resid 91 and name HB3 )) 3.200 1.300 1.300 peak 4869 spectrum 1 weight 0.10000E+01 volume 0.15879E-02 ppm1 2.840 ppm2 1.767 CV 1 OR { 4869} (( segid " " and resid 114 and name HB2 )) (( segid " " and resid 91 and name HD3 )) OR { 4869} (( segid " " and resid 114 and name HB2 )) (( segid " " and resid 91 and name HG2 )) OR { 4869} (( segid " " and resid 114 and name HB2 )) (( segid " " and resid 112 and name HB3 )) ASSI { 4886} (( segid " " and resid 115 and name HB2 )) (( segid " " and resid 116 and name HN )) 4.500 2.600 1.500 peak 4886 spectrum 1 weight 0.10000E+01 volume 0.62052E-03 ppm1 1.948 ppm2 9.019 CV 1 OR { 4886} (( segid " " and resid 115 and name HB2 )) (( segid " " and resid 114 and name HN )) ASSI { 4887} (( segid " " and resid 115 and name HB3 )) (( segid " " and resid 116 and name HN )) 3.800 1.800 1.800 peak 4887 spectrum 1 weight 0.10000E+01 volume 0.75285E-03 ppm1 1.354 ppm2 9.019 CV 1 OR { 4887} (( segid " " and resid 115 and name HB3 )) (( segid " " and resid 114 and name HN )) ASSI { 4888} ( segid " " and resid 115 and name HD1%) ( segid " " and resid 139 and name HD1%) 2.900 1.000 1.000 peak 4888 spectrum 1 weight 0.10000E+01 volume 0.35056E-02 ppm1 0.856 ppm2 0.626 CV 1 OR { 4888} ( segid " " and resid 115 and name HD1%) ( segid " " and resid 118 and name HD1%) ASSI { 4889} ( segid " " and resid 115 and name HD1%) (( segid " " and resid 115 and name HG )) 1.900 0.500 0.500 peak 4889 spectrum 1 weight 0.10000E+01 volume 0.15498E-01 ppm1 0.856 ppm2 1.355 CV 1 OR { 4889} ( segid " " and resid 115 and name HD1%) (( segid " " and resid 109 and name HB3 )) OR { 4889} ( segid " " and resid 115 and name HD1%) (( segid " " and resid 115 and name HB3 )) ASSI { 4890} ( segid " " and resid 115 and name HD1%) (( segid " " and resid 112 and name HB3 )) 3.500 1.500 1.500 peak 4890 spectrum 1 weight 0.10000E+01 volume 0.23909E-02 ppm1 0.856 ppm2 1.766 CV 1 OR { 4890} ( segid " " and resid 115 and name HD1%) (( segid " " and resid 109 and name HG )) ASSI { 4894} ( segid " " and resid 115 and name HD1%) (( segid " " and resid 113 and name HA )) 4.400 2.400 1.600 peak 4894 spectrum 1 weight 0.10000E+01 volume 0.60800E-03 ppm1 0.856 ppm2 3.844 CV 1 OR { 4894} ( segid " " and resid 115 and name HD1%) (( segid " " and resid 142 and name HA )) ASSI { 4906} ( segid " " and resid 115 and name HD1%) (( segid " " and resid 93 and name HN )) 4.100 2.100 1.900 peak 4906 spectrum 1 weight 0.10000E+01 volume 0.76418E-03 ppm1 0.856 ppm2 8.182 CV 1 OR { 4906} ( segid " " and resid 115 and name HD1%) (( segid " " and resid 92 and name HN )) OR { 4906} ( segid " " and resid 115 and name HD1%) (( segid " " and resid 119 and name HN )) ASSI { 4907} ( segid " " and resid 115 and name HD1%) (( segid " " and resid 110 and name HN )) 4.500 2.500 1.500 peak 4907 spectrum 1 weight 0.10000E+01 volume 0.76834E-03 ppm1 0.856 ppm2 8.313 CV 1 OR { 4907} ( segid " " and resid 115 and name HD1%) (( segid " " and resid 117 and name HN )) ASSI { 4908} ( segid " " and resid 115 and name HD1%) (( segid " " and resid 114 and name HN )) 4.800 2.900 1.200 peak 4908 spectrum 1 weight 0.10000E+01 volume 0.86013E-03 ppm1 0.856 ppm2 9.014 CV 1 OR { 4908} ( segid " " and resid 115 and name HD1%) (( segid " " and resid 116 and name HN )) ASSI { 4913} ( segid " " and resid 11 and name HD2%) (( segid " " and resid 11 and name HN )) 2.900 1.100 1.100 peak 4913 spectrum 1 weight 0.10000E+01 volume 0.48199E-02 ppm1 0.788 ppm2 8.173 CV 1 OR { 4913} ( segid " " and resid 115 and name HD2%) (( segid " " and resid 93 and name HN )) ASSI { 4915} ( segid " " and resid 115 and name HD2%) (( segid " " and resid 116 and name HN )) 3.500 1.600 1.600 peak 4915 spectrum 1 weight 0.10000E+01 volume 0.34787E-02 ppm1 0.788 ppm2 9.019 CV 1 OR { 4915} ( segid " " and resid 115 and name HD2%) (( segid " " and resid 114 and name HN )) ASSI { 4917} ( segid " " and resid 115 and name HD2%) (( segid " " and resid 112 and name HN )) 2.700 2.700 3.300 peak 4917 spectrum 1 weight 0.10000E+01 volume 0.14288E-02 ppm1 0.788 ppm2 7.195 CV 1 OR { 4917} ( segid " " and resid 115 and name HD2%) (( segid " " and resid 90 and name HN )) OR { 4917} ( segid " " and resid 11 and name HD2%) ( segid " " and resid 8 and name HD% ) ASSI { 4924} (( segid " " and resid 66 and name HG )) (( segid " " and resid 66 and name HA )) 2.600 0.900 0.900 peak 4924 spectrum 1 weight 0.10000E+01 volume 0.25321E-02 ppm1 1.363 ppm2 4.132 CV 1 OR { 4924} (( segid " " and resid 115 and name HG )) (( segid " " and resid 115 and name HA )) ASSI { 4930} (( segid " " and resid 71 and name HG )) (( segid " " and resid 71 and name HN )) 3.600 1.600 1.600 peak 4930 spectrum 1 weight 0.10000E+01 volume 0.12971E-02 ppm1 1.361 ppm2 8.316 CV 1 OR { 4930} (( segid " " and resid 69 and name HG )) (( segid " " and resid 69 and name HN )) OR { 4930} (( segid " " and resid 115 and name HG )) (( segid " " and resid 117 and name HN )) ASSI { 4937} (( segid " " and resid 128 and name HB2 )) (( segid " " and resid 128 and name HB3 )) 1.600 0.300 0.600 peak 4937 spectrum 1 weight 0.10000E+01 volume 0.12047E-01 ppm1 1.836 ppm2 1.578 CV 1 OR { 4937} (( segid " " and resid 66 and name HB2 )) (( segid " " and resid 63 and name HB3 )) ASSI { 4939} (( segid " " and resid 66 and name HB2 )) (( segid " " and resid 87 and name HB3 )) 4.200 2.200 1.800 peak 4939 spectrum 1 weight 0.10000E+01 volume 0.73201E-03 ppm1 1.862 ppm2 2.818 CV 1 OR { 4939} (( segid " " and resid 66 and name HB2 )) (( segid " " and resid 89 and name HB2 )) OR { 4939} (( segid " " and resid 128 and name HB2 )) (( segid " " and resid 129 and name HB2 )) ASSI { 4944} (( segid " " and resid 116 and name HD3 )) (( segid " " and resid 91 and name HB2 )) 2.100 2.100 3.900 peak 4944 spectrum 1 weight 0.10000E+01 volume 0.30209E-01 ppm1 1.700 ppm2 1.842 CV 1 OR { 4944} (( segid " " and resid 116 and name HD2 )) (( segid " " and resid 91 and name HB2 )) OR { 4944} (( segid " " and resid 6 and name HB3 )) (( segid " " and resid 9 and name HB3 )) ASSI { 4956} (( segid " " and resid 119 and name HA )) (( segid " " and resid 120 and name HA )) 4.000 2.000 2.000 peak 4956 spectrum 1 weight 0.10000E+01 volume 0.12756E-02 ppm1 5.665 ppm2 4.249 CV 1 OR { 4956} (( segid " " and resid 119 and name HA )) (( segid " " and resid 121 and name HA )) ASSI { 4959} (( segid " " and resid 119 and name HA )) (( segid " " and resid 120 and name HG )) 4.000 2.000 2.000 peak 4959 spectrum 1 weight 0.10000E+01 volume 0.94536E-03 ppm1 5.665 ppm2 1.271 CV 1 OR { 4959} (( segid " " and resid 119 and name HA )) (( segid " " and resid 118 and name HG )) ASSI { 4960} (( segid " " and resid 119 and name HA )) ( segid " " and resid 118 and name HD2%) 4.200 2.200 1.800 peak 4960 spectrum 1 weight 0.10000E+01 volume 0.75165E-03 ppm1 5.665 ppm2 0.906 CV 1 OR { 4960} (( segid " " and resid 119 and name HA )) ( segid " " and resid 120 and name HD1%) ASSI { 4961} (( segid " " and resid 119 and name HA )) ( segid " " and resid 145 and name HD2%) 3.800 1.800 1.800 peak 4961 spectrum 1 weight 0.10000E+01 volume 0.12106E-02 ppm1 5.665 ppm2 0.699 CV 1 OR { 4961} (( segid " " and resid 119 and name HA )) ( segid " " and resid 125 and name HG2%) ASSI { 4966} (( segid " " and resid 119 and name HB3 )) (( segid " " and resid 70 and name HA )) 3.600 3.600 2.400 peak 4966 spectrum 1 weight 0.10000E+01 volume 0.57222E-03 ppm1 2.665 ppm2 4.735 CV 1 OR { 4966} (( segid " " and resid 119 and name HB3 )) (( segid " " and resid 123 and name HA )) ASSI { 4971} (( segid " " and resid 120 and name HB2 )) ( segid " " and resid 125 and name HG2%) 3.700 1.700 1.700 peak 4971 spectrum 1 weight 0.10000E+01 volume 0.12679E-02 ppm1 2.205 ppm2 0.717 CV 1 OR { 4971} (( segid " " and resid 120 and name HB2 )) ( segid " " and resid 145 and name HD2%) ASSI { 4974} (( segid " " and resid 120 and name HB3 )) ( segid " " and resid 120 and name HD1%) 2.800 1.000 1.000 peak 4974 spectrum 1 weight 0.10000E+01 volume 0.30114E-02 ppm1 1.428 ppm2 0.934 CV 1 OR { 4974} (( segid " " and resid 66 and name HB3 )) ( segid " " and resid 90 and name HD1%) ASSI { 4976} (( segid " " and resid 120 and name HB3 )) ( segid " " and resid 125 and name HG2%) 3.200 1.300 1.300 peak 4976 spectrum 1 weight 0.10000E+01 volume 0.20803E-02 ppm1 1.428 ppm2 0.715 CV 1 OR { 4976} (( segid " " and resid 66 and name HB3 )) ( segid " " and resid 63 and name HD1%) ASSI { 4986} ( segid " " and resid 120 and name HD1%) ( segid " " and resid 125 and name HG2%) 2.300 0.700 0.700 peak 4986 spectrum 1 weight 0.10000E+01 volume 0.10711E-01 ppm1 0.930 ppm2 0.689 CV 1 OR { 4986} ( segid " " and resid 120 and name HD1%) ( segid " " and resid 145 and name HD2%) OR { 4986} ( segid " " and resid 120 and name HD1%) ( segid " " and resid 135 and name HG1%) ASSI { 5007} (( segid " " and resid 128 and name HB2 )) (( segid " " and resid 129 and name HN )) 4.200 2.200 1.800 peak 5007 spectrum 1 weight 0.10000E+01 volume 0.78803E-03 ppm1 1.836 ppm2 8.693 CV 1 OR { 5007} (( segid " " and resid 66 and name HB2 )) (( segid " " and resid 65 and name HN )) ASSI { 5012} ( segid " " and resid 80 and name HD1%) (( segid " " and resid 80 and name HB3 )) 2.200 0.600 0.600 peak 5012 spectrum 1 weight 0.10000E+01 volume 0.14717E-01 ppm1 0.816 ppm2 1.423 CV 1 OR { 5012} ( segid " " and resid 120 and name HD2%) (( segid " " and resid 120 and name HB3 )) ASSI { 5018} (( segid " " and resid 109 and name HG )) ( segid " " and resid 109 and name HD1%) 2.300 0.700 0.700 peak 5018 spectrum 1 weight 0.10000E+01 volume 0.52873E-02 ppm1 1.730 ppm2 0.802 CV 1 OR { 5018} (( segid " " and resid 109 and name HG )) ( segid " " and resid 80 and name HD1%) ASSI { 5046} (( segid " " and resid 123 and name HB2 )) ( segid " " and resid 120 and name HD2%) 3.800 1.800 1.800 peak 5046 spectrum 1 weight 0.10000E+01 volume 0.14580E-02 ppm1 3.610 ppm2 0.813 CV 1 OR { 5046} (( segid " " and resid 123 and name HB2 )) ( segid " " and resid 125 and name HG1%) ASSI { 5050} (( segid " " and resid 123 and name HB3 )) (( segid " " and resid 100 and name HB )) 3.700 1.800 1.800 peak 5050 spectrum 1 weight 0.10000E+01 volume 0.10920E-02 ppm1 3.080 ppm2 2.058 CV 1 OR { 5050} (( segid " " and resid 123 and name HB3 )) (( segid " " and resid 124 and name HB3 )) OR { 5050} (( segid " " and resid 123 and name HB3 )) (( segid " " and resid 124 and name HB2 )) ASSI { 5053} (( segid " " and resid 123 and name HB3 )) ( segid " " and resid 125 and name HG1%) 3.800 1.800 1.800 peak 5053 spectrum 1 weight 0.10000E+01 volume 0.13561E-02 ppm1 3.080 ppm2 0.823 CV 1 OR { 5053} (( segid " " and resid 123 and name HB3 )) ( segid " " and resid 120 and name HD2%) ASSI { 5056} (( segid " " and resid 109 and name HA )) (( segid " " and resid 109 and name HG )) 3.400 1.400 1.400 peak 5056 spectrum 1 weight 0.10000E+01 volume 0.16821E-02 ppm1 3.983 ppm2 1.729 CV 1 OR { 5056} (( segid " " and resid 109 and name HA )) (( segid " " and resid 112 and name HB3 )) ASSI { 5057} (( segid " " and resid 109 and name HA )) (( segid " " and resid 112 and name HG )) 3.100 1.200 1.200 peak 5057 spectrum 1 weight 0.10000E+01 volume 0.20314E-02 ppm1 3.983 ppm2 1.512 CV 1 OR { 5057} (( segid " " and resid 109 and name HA )) (( segid " " and resid 110 and name HG3 )) ASSI { 5059} (( segid " " and resid 109 and name HA )) ( segid " " and resid 112 and name HD1%) 3.100 1.200 1.200 peak 5059 spectrum 1 weight 0.10000E+01 volume 0.28236E-02 ppm1 3.983 ppm2 0.939 CV 1 OR { 5059} (( segid " " and resid 109 and name HA )) ( segid " " and resid 93 and name HD2%) ASSI { 5063} (( segid " " and resid 113 and name HB2 )) (( segid " " and resid 110 and name HA )) 3.100 3.100 2.900 peak 5063 spectrum 1 weight 0.10000E+01 volume 0.58540E-02 ppm1 2.025 ppm2 3.928 CV 1 OR { 5063} (( segid " " and resid 10 and name HB3 )) (( segid " " and resid 12 and name HA )) ASSI { 5064} (( segid " " and resid 125 and name HA )) (( segid " " and resid 124 and name HA )) 3.700 1.700 1.700 peak 5064 spectrum 1 weight 0.10000E+01 volume 0.18449E-02 ppm1 3.821 ppm2 4.221 CV 1 OR { 5064} (( segid " " and resid 96 and name HB3 )) (( segid " " and resid 121 and name HA )) OR { 5064} (( segid " " and resid 96 and name HB3 )) (( segid " " and resid 120 and name HA )) OR { 5064} (( segid " " and resid 125 and name HA )) (( segid " " and resid 128 and name HA )) OR { 5064} (( segid " " and resid 96 and name HB3 )) (( segid " " and resid 95 and name HA )) ASSI { 5065} (( segid " " and resid 125 and name HA )) (( segid " " and resid 128 and name HG )) 2.400 0.700 0.700 peak 5065 spectrum 1 weight 0.10000E+01 volume 0.39932E-02 ppm1 3.821 ppm2 1.974 CV 1 OR { 5065} (( segid " " and resid 142 and name HA )) (( segid " " and resid 116 and name HB3 )) ASSI { 5066} (( segid " " and resid 125 and name HA )) (( segid " " and resid 125 and name HB )) 2.300 0.700 0.700 peak 5066 spectrum 1 weight 0.10000E+01 volume 0.62348E-02 ppm1 3.821 ppm2 1.616 CV 1 OR { 5066} (( segid " " and resid 125 and name HA )) (( segid " " and resid 128 and name HB3 )) ASSI { 5068} (( segid " " and resid 19 and name HA )) ( segid " " and resid 19 and name HG1%) 2.700 0.900 0.900 peak 5068 spectrum 1 weight 0.10000E+01 volume 0.38358E-02 ppm1 3.821 ppm2 0.975 CV 1 OR { 5068} (( segid " " and resid 19 and name HA )) ( segid " " and resid 19 and name HG2%) OR { 5068} (( segid " " and resid 125 and name HA )) ( segid " " and resid 128 and name HD2%) ASSI { 5069} (( segid " " and resid 125 and name HA )) ( segid " " and resid 125 and name HG1%) 2.300 0.700 0.700 peak 5069 spectrum 1 weight 0.10000E+01 volume 0.77906E-02 ppm1 3.821 ppm2 0.809 CV 1 OR { 5069} (( segid " " and resid 72 and name HB2 )) ( segid " " and resid 50 and name HD1%) OR { 5069} (( segid " " and resid 125 and name HA )) ( segid " " and resid 100 and name HG2%) ASSI { 5071} (( segid " " and resid 125 and name HA )) (( segid " " and resid 128 and name HN )) 3.600 1.600 1.600 peak 5071 spectrum 1 weight 0.10000E+01 volume 0.13579E-02 ppm1 3.821 ppm2 7.403 CV 1 OR { 5071} (( segid " " and resid 96 and name HB3 )) ( segid " " and resid 121 and name HD% ) OR { 5071} (( segid " " and resid 125 and name HA )) (( segid " " and resid 127 and name HD21)) ASSI { 5072} (( segid " " and resid 125 and name HA )) (( segid " " and resid 125 and name HN )) 2.700 0.900 0.900 peak 5072 spectrum 1 weight 0.10000E+01 volume 0.38525E-02 ppm1 3.821 ppm2 8.165 CV 1 OR { 5072} (( segid " " and resid 142 and name HA )) (( segid " " and resid 144 and name HN )) ASSI { 5073} (( segid " " and resid 125 and name HA )) (( segid " " and resid 126 and name HN )) 3.100 1.200 1.200 peak 5073 spectrum 1 weight 0.10000E+01 volume 0.12679E-02 ppm1 3.821 ppm2 7.183 CV 1 OR { 5073} (( segid " " and resid 96 and name HB3 )) (( segid " " and resid 121 and name HN )) ASSI { 5075} ( segid " " and resid 125 and name HG2%) ( segid " " and resid 120 and name HD1%) 2.500 0.800 0.800 peak 5075 spectrum 1 weight 0.10000E+01 volume 0.79755E-02 ppm1 0.714 ppm2 0.952 CV 1 OR { 5075} ( segid " " and resid 125 and name HG2%) ( segid " " and resid 126 and name HG2%) ASSI { 5077} ( segid " " and resid 125 and name HG2%) (( segid " " and resid 120 and name HG )) 3.300 1.400 1.400 peak 5077 spectrum 1 weight 0.10000E+01 volume 0.15653E-02 ppm1 0.714 ppm2 1.311 CV 1 OR { 5077} ( segid " " and resid 125 and name HG2%) (( segid " " and resid 132 and name HG3 )) ASSI { 5080} ( segid " " and resid 125 and name HG2%) (( segid " " and resid 100 and name HB )) 3.300 1.400 1.400 peak 5080 spectrum 1 weight 0.10000E+01 volume 0.31265E-02 ppm1 0.714 ppm2 2.046 CV 1 OR { 5080} ( segid " " and resid 125 and name HG2%) (( segid " " and resid 124 and name HB2 )) ASSI { 5084} ( segid " " and resid 125 and name HG2%) (( segid " " and resid 123 and name HB2 )) 2.900 1.100 1.100 peak 5084 spectrum 1 weight 0.10000E+01 volume 0.37654E-02 ppm1 0.714 ppm2 3.602 CV 1 OR { 5084} ( segid " " and resid 125 and name HG2%) (( segid " " and resid 131 and name HB2 )) ASSI { 5086} ( segid " " and resid 125 and name HG2%) (( segid " " and resid 103 and name HA )) 3.000 3.000 3.000 peak 5086 spectrum 1 weight 0.10000E+01 volume 0.75105E-03 ppm1 0.714 ppm2 3.952 CV 1 OR { 5086} ( segid " " and resid 125 and name HG2%) (( segid " " and resid 133 and name HA )) ASSI { 5087} ( segid " " and resid 125 and name HG2%) (( segid " " and resid 124 and name HA )) 3.400 1.500 1.500 peak 5087 spectrum 1 weight 0.10000E+01 volume 0.22728E-02 ppm1 0.714 ppm2 4.219 CV 1 OR { 5087} ( segid " " and resid 125 and name HG2%) (( segid " " and resid 122 and name HA )) OR { 5087} ( segid " " and resid 125 and name HG2%) (( segid " " and resid 128 and name HA )) ASSI { 5096} (( segid " " and resid 126 and name HA )) (( segid " " and resid 128 and name HN )) 3.800 1.800 1.800 peak 5096 spectrum 1 weight 0.10000E+01 volume 0.77966E-03 ppm1 2.412 ppm2 7.412 CV 1 OR { 5096} (( segid " " and resid 126 and name HA )) (( segid " " and resid 127 and name HD21)) ASSI { 5099} (( segid " " and resid 126 and name HA )) (( segid " " and resid 131 and name HB2 )) 4.000 2.000 2.000 peak 5099 spectrum 1 weight 0.10000E+01 volume 0.93048E-03 ppm1 2.412 ppm2 3.609 CV 1 OR { 5099} (( segid " " and resid 126 and name HA )) (( segid " " and resid 123 and name HB2 )) ASSI { 5100} ( segid " " and resid 125 and name HG1%) (( segid " " and resid 128 and name HG )) 3.400 1.400 1.400 peak 5100 spectrum 1 weight 0.10000E+01 volume 0.24058E-02 ppm1 0.822 ppm2 2.016 CV 1 OR { 5100} ( segid " " and resid 125 and name HG1%) (( segid " " and resid 124 and name HB2 )) ASSI { 5102} ( segid " " and resid 125 and name HG1%) (( segid " " and resid 100 and name HA )) 3.500 1.600 1.600 peak 5102 spectrum 1 weight 0.10000E+01 volume 0.18180E-02 ppm1 0.822 ppm2 4.214 CV 1 OR { 5102} ( segid " " and resid 125 and name HG1%) (( segid " " and resid 124 and name HA )) OR { 5102} ( segid " " and resid 125 and name HG1%) (( segid " " and resid 128 and name HA )) ASSI { 5104} ( segid " " and resid 125 and name HG1%) (( segid " " and resid 127 and name HB2 )) 3.700 1.700 1.700 peak 5104 spectrum 1 weight 0.10000E+01 volume 0.72484E-03 ppm1 0.822 ppm2 2.939 CV 1 OR { 5104} ( segid " " and resid 125 and name HG1%) (( segid " " and resid 134 and name HB2 )) ASSI { 5109} ( segid " " and resid 125 and name HG1%) (( segid " " and resid 102 and name HN )) 3.600 1.600 1.600 peak 5109 spectrum 1 weight 0.10000E+01 volume 0.11993E-02 ppm1 0.822 ppm2 7.366 CV 1 OR { 5109} ( segid " " and resid 125 and name HG1%) (( segid " " and resid 127 and name HD21)) ASSI { 5118} ( segid " " and resid 126 and name HG2%) (( segid " " and resid 120 and name HB2 )) 2.800 2.800 3.200 peak 5118 spectrum 1 weight 0.10000E+01 volume 0.21835E-02 ppm1 0.972 ppm2 2.207 CV 1 OR { 5118} ( segid " " and resid 19 and name HG1%) (( segid " " and resid 43 and name HB2 )) OR { 5118} ( segid " " and resid 19 and name HG1%) (( segid " " and resid 45 and name HB2 )) ASSI { 5119} ( segid " " and resid 19 and name HG1%) ( segid " " and resid 22 and name HD2%) 2.800 1.000 1.000 peak 5119 spectrum 1 weight 0.10000E+01 volume 0.58775E-02 ppm1 0.972 ppm2 0.726 CV 1 OR { 5119} ( segid " " and resid 126 and name HG2%) ( segid " " and resid 125 and name HG2%) OR { 5119} ( segid " " and resid 19 and name HG1%) ( segid " " and resid 22 and name HD1%) ASSI { 5123} ( segid " " and resid 126 and name HG2%) (( segid " " and resid 122 and name HA )) 2.800 1.000 1.000 peak 5123 spectrum 1 weight 0.10000E+01 volume 0.50347E-02 ppm1 0.972 ppm2 4.216 CV 1 OR { 5123} ( segid " " and resid 126 and name HG2%) (( segid " " and resid 121 and name HA )) ASSI { 5125} ( segid " " and resid 126 and name HG2%) (( segid " " and resid 123 and name HA )) 3.300 1.400 1.400 peak 5125 spectrum 1 weight 0.10000E+01 volume 0.36898E-02 ppm1 0.973 ppm2 4.738 CV 1 OR { 5125} ( segid " " and resid 19 and name HG1%) (( segid " " and resid 18 and name HA )) ASSI { 5138} (( segid " " and resid 128 and name HA )) (( segid " " and resid 129 and name HB3 )) 4.500 2.600 1.500 peak 5138 spectrum 1 weight 0.10000E+01 volume 0.11176E-02 ppm1 4.187 ppm2 2.664 CV 1 OR { 5138} (( segid " " and resid 128 and name HA )) (( segid " " and resid 131 and name HB3 )) ASSI { 5153} ( segid " " and resid 128 and name HD1%) ( segid " " and resid 103 and name HD2%) 3.300 1.400 1.400 peak 5153 spectrum 1 weight 0.10000E+01 volume 0.30227E-02 ppm1 1.087 ppm2 0.697 CV 1 OR { 5153} ( segid " " and resid 128 and name HD1%) ( segid " " and resid 125 and name HG2%) ASSI { 5160} ( segid " " and resid 128 and name HD1%) (( segid " " and resid 102 and name HB2 )) 3.400 1.400 1.400 peak 5160 spectrum 1 weight 0.10000E+01 volume 0.11242E-02 ppm1 1.087 ppm2 2.935 CV 1 OR { 5160} ( segid " " and resid 128 and name HD1%) (( segid " " and resid 134 and name HB2 )) OR { 5160} ( segid " " and resid 128 and name HD1%) (( segid " " and resid 127 and name HB2 )) ASSI { 5165} ( segid " " and resid 128 and name HD1%) (( segid " " and resid 125 and name HN )) 3.200 1.300 1.300 peak 5165 spectrum 1 weight 0.10000E+01 volume 0.70395E-03 ppm1 1.087 ppm2 8.164 CV 1 OR { 5165} ( segid " " and resid 128 and name HD1%) (( segid " " and resid 133 and name HN )) ASSI { 5168} ( segid " " and resid 128 and name HD1%) (( segid " " and resid 131 and name HN )) 4.400 2.400 1.600 peak 5168 spectrum 1 weight 0.10000E+01 volume 0.65389E-03 ppm1 1.087 ppm2 7.225 CV 1 OR { 5168} ( segid " " and resid 128 and name HD1%) (( segid " " and resid 134 and name HD22)) ASSI { 5173} ( segid " " and resid 128 and name HD2%) (( segid " " and resid 127 and name HB3 )) 3.600 1.600 1.600 peak 5173 spectrum 1 weight 0.10000E+01 volume 0.11606E-02 ppm1 0.988 ppm2 2.766 CV 1 OR { 5173} ( segid " " and resid 128 and name HD2%) (( segid " " and resid 129 and name HB2 )) ASSI { 5183} (( segid " " and resid 129 and name HB3 )) (( segid " " and resid 128 and name HA )) 4.400 2.400 1.600 peak 5183 spectrum 1 weight 0.10000E+01 volume 0.17227E-02 ppm1 2.668 ppm2 4.181 CV 1 OR { 5183} (( segid " " and resid 129 and name HB3 )) (( segid " " and resid 130 and name HA )) ASSI { 5188} (( segid " " and resid 129 and name HB2 )) (( segid " " and resid 128 and name HA )) 4.200 2.200 1.800 peak 5188 spectrum 1 weight 0.10000E+01 volume 0.13871E-02 ppm1 2.795 ppm2 4.185 CV 1 OR { 5188} (( segid " " and resid 129 and name HB2 )) (( segid " " and resid 130 and name HA )) ASSI { 5196} (( segid " " and resid 130 and name HA )) (( segid " " and resid 132 and name HN )) 3.100 1.200 1.200 peak 5196 spectrum 1 weight 0.10000E+01 volume 0.16285E-02 ppm1 4.183 ppm2 8.204 CV 1 OR { 5196} (( segid " " and resid 130 and name HA )) (( segid " " and resid 133 and name HN )) ASSI { 5201} ( segid " " and resid 130 and name HB% ) (( segid " " and resid 133 and name HN )) 3.400 1.500 1.500 peak 5201 spectrum 1 weight 0.10000E+01 volume 0.17769E-02 ppm1 1.349 ppm2 8.195 CV 1 OR { 5201} ( segid " " and resid 130 and name HB% ) (( segid " " and resid 132 and name HN )) ASSI { 5203} ( segid " " and resid 130 and name HB% ) (( segid " " and resid 134 and name HD22)) 2.800 1.000 1.000 peak 5203 spectrum 1 weight 0.10000E+01 volume 0.64377E-02 ppm1 1.349 ppm2 7.223 CV 1 OR { 5203} ( segid " " and resid 130 and name HB% ) (( segid " " and resid 131 and name HN )) ASSI { 5206} ( segid " " and resid 130 and name HB% ) (( segid " " and resid 129 and name HB3 )) 3.600 1.600 1.600 peak 5206 spectrum 1 weight 0.10000E+01 volume 0.13120E-02 ppm1 1.349 ppm2 2.668 CV 1 OR { 5206} ( segid " " and resid 130 and name HB% ) (( segid " " and resid 131 and name HB3 )) ASSI { 5210} ( segid " " and resid 130 and name HB% ) ( segid " " and resid 103 and name HD2%) 4.500 2.600 1.500 peak 5210 spectrum 1 weight 0.10000E+01 volume 0.73557E-03 ppm1 1.349 ppm2 0.708 CV 1 OR { 5210} ( segid " " and resid 130 and name HB% ) ( segid " " and resid 125 and name HG2%) OR { 5210} ( segid " " and resid 130 and name HB% ) ( segid " " and resid 135 and name HG1%) ASSI { 5217} (( segid " " and resid 131 and name HB2 )) (( segid " " and resid 126 and name HA )) 4.300 2.300 1.700 peak 5217 spectrum 1 weight 0.10000E+01 volume 0.64558E-03 ppm1 3.610 ppm2 2.416 CV 1 OR { 5217} (( segid " " and resid 131 and name HB2 )) (( segid " " and resid 134 and name HB3 )) ASSI { 5220} (( segid " " and resid 131 and name HB2 )) ( segid " " and resid 128 and name HD2%) 3.100 3.100 2.900 peak 5220 spectrum 1 weight 0.10000E+01 volume 0.60739E-03 ppm1 3.610 ppm2 0.990 CV 1 OR { 5220} (( segid " " and resid 131 and name HB2 )) ( segid " " and resid 126 and name HG2%) ASSI { 5221} (( segid " " and resid 131 and name HB2 )) ( segid " " and resid 125 and name HG2%) 3.800 1.800 1.800 peak 5221 spectrum 1 weight 0.10000E+01 volume 0.43818E-03 ppm1 3.610 ppm2 0.715 CV 1 OR { 5221} (( segid " " and resid 131 and name HB2 )) ( segid " " and resid 103 and name HD2%) ASSI { 5222} (( segid " " and resid 131 and name HA )) (( segid " " and resid 132 and name HN )) 3.300 1.400 1.400 peak 5222 spectrum 1 weight 0.10000E+01 volume 0.11916E-02 ppm1 4.064 ppm2 8.198 CV 1 OR { 5222} (( segid " " and resid 131 and name HA )) (( segid " " and resid 133 and name HN )) ASSI { 5228} (( segid " " and resid 131 and name HB3 )) (( segid " " and resid 126 and name HA )) 4.000 2.000 2.000 peak 5228 spectrum 1 weight 0.10000E+01 volume 0.50252E-03 ppm1 2.671 ppm2 2.416 CV 1 OR { 5228} (( segid " " and resid 131 and name HB3 )) (( segid " " and resid 134 and name HB3 )) ASSI { 5240} (( segid " " and resid 132 and name HA )) (( segid " " and resid 135 and name HB )) 3.000 1.100 1.100 peak 5240 spectrum 1 weight 0.10000E+01 volume 0.18234E-02 ppm1 2.753 ppm2 1.472 CV 1 OR { 5240} (( segid " " and resid 132 and name HA )) (( segid " " and resid 145 and name HB2 )) ASSI { 5242} (( segid " " and resid 132 and name HA )) ( segid " " and resid 145 and name HD2%) 4.000 2.000 2.000 peak 5242 spectrum 1 weight 0.10000E+01 volume 0.12774E-02 ppm1 2.753 ppm2 0.679 CV 1 OR { 5242} (( segid " " and resid 132 and name HA )) ( segid " " and resid 135 and name HG1%) ASSI { 5248} (( segid " " and resid 132 and name HB2 )) (( segid " " and resid 133 and name HN )) 2.600 0.800 0.800 peak 5248 spectrum 1 weight 0.10000E+01 volume 0.20153E-02 ppm1 1.683 ppm2 8.193 CV 1 OR { 5248} (( segid " " and resid 132 and name HB2 )) (( segid " " and resid 132 and name HN )) ASSI { 5249} (( segid " " and resid 132 and name HB3 )) (( segid " " and resid 133 and name HN )) 3.500 1.500 1.500 peak 5249 spectrum 1 weight 0.10000E+01 volume 0.22162E-02 ppm1 1.596 ppm2 8.205 CV 1 OR { 5249} (( segid " " and resid 132 and name HB3 )) (( segid " " and resid 132 and name HN )) ASSI { 5253} (( segid " " and resid 132 and name HG2 )) (( segid " " and resid 132 and name HN )) 3.700 1.700 1.700 peak 5253 spectrum 1 weight 0.10000E+01 volume 0.14157E-02 ppm1 1.748 ppm2 8.207 CV 1 OR { 5253} (( segid " " and resid 132 and name HG2 )) (( segid " " and resid 133 and name HN )) ASSI { 5260} (( segid " " and resid 132 and name HG3 )) (( segid " " and resid 132 and name HN )) 2.800 1.000 1.000 peak 5260 spectrum 1 weight 0.10000E+01 volume 0.13352E-02 ppm1 1.338 ppm2 8.214 CV 1 OR { 5260} (( segid " " and resid 132 and name HG3 )) (( segid " " and resid 133 and name HN )) ASSI { 5264} (( segid " " and resid 132 and name HD3 )) (( segid " " and resid 132 and name HE )) 2.700 0.900 0.900 peak 5264 spectrum 1 weight 0.10000E+01 volume 0.20535E-02 ppm1 3.172 ppm2 7.884 CV 1 OR { 5264} (( segid " " and resid 74 and name HB2 )) (( segid " " and resid 74 and name HD21)) OR { 5264} (( segid " " and resid 74 and name HB3 )) (( segid " " and resid 74 and name HD21)) ASSI { 5265} (( segid " " and resid 132 and name HD3 )) (( segid " " and resid 132 and name HN )) 4.500 2.500 1.500 peak 5265 spectrum 1 weight 0.10000E+01 volume 0.77610E-03 ppm1 3.172 ppm2 8.213 CV 1 OR { 5265} (( segid " " and resid 132 and name HD3 )) (( segid " " and resid 133 and name HN )) ASSI { 5268} (( segid " " and resid 133 and name HA )) (( segid " " and resid 133 and name HN )) 2.600 0.800 0.800 peak 5268 spectrum 1 weight 0.10000E+01 volume 0.44479E-02 ppm1 3.980 ppm2 8.180 CV 1 OR { 5268} (( segid " " and resid 133 and name HA )) (( segid " " and resid 136 and name HN )) ASSI { 5273} (( segid " " and resid 3 and name HA )) ( segid " " and resid 24 and name HD1%) 3.500 1.500 1.500 peak 5273 spectrum 1 weight 0.10000E+01 volume 0.11326E-02 ppm1 3.990 ppm2 0.700 CV 1 OR { 5273} (( segid " " and resid 3 and name HA )) (( segid " " and resid 7 and name HG13)) OR { 5273} (( segid " " and resid 3 and name HA )) ( segid " " and resid 24 and name HD2%) OR { 5273} (( segid " " and resid 3 and name HA )) ( segid " " and resid 7 and name HD1%) ASSI { 5277} (( segid " " and resid 3 and name HA )) (( segid " " and resid 2 and name HB3 )) 3.900 1.900 1.900 peak 5277 spectrum 1 weight 0.10000E+01 volume 0.17584E-02 ppm1 3.990 ppm2 2.070 CV 1 OR { 5277} (( segid " " and resid 3 and name HA )) (( segid " " and resid 1 and name HB3 )) ASSI { 5278} (( segid " " and resid 3 and name HA )) (( segid " " and resid 6 and name HG2 )) 3.600 1.600 1.600 peak 5278 spectrum 1 weight 0.10000E+01 volume 0.16148E-02 ppm1 3.990 ppm2 1.918 CV 1 OR { 5278} (( segid " " and resid 3 and name HA )) ( segid " " and resid 3 and name HE% ) OR { 5278} (( segid " " and resid 3 and name HA )) (( segid " " and resid 7 and name HG12)) ASSI { 5279} (( segid " " and resid 3 and name HA )) (( segid " " and resid 6 and name HB3 )) 3.300 1.400 1.400 peak 5279 spectrum 1 weight 0.10000E+01 volume 0.16380E-02 ppm1 3.990 ppm2 1.670 CV 1 OR { 5279} (( segid " " and resid 3 and name HA )) (( segid " " and resid 24 and name HB3 )) ASSI { 5282} (( segid " " and resid 133 and name HG2 )) (( segid " " and resid 136 and name HB2 )) 4.100 2.100 1.900 peak 5282 spectrum 1 weight 0.10000E+01 volume 0.13293E-02 ppm1 2.275 ppm2 2.956 CV 1 OR { 5282} (( segid " " and resid 42 and name HG3 )) (( segid " " and resid 41 and name HB3 )) OR { 5282} (( segid " " and resid 42 and name HG3 )) (( segid " " and resid 65 and name HD2 )) OR { 5282} (( segid " " and resid 133 and name HG3 )) (( segid " " and resid 136 and name HB2 )) OR { 5282} (( segid " " and resid 42 and name HG3 )) (( segid " " and resid 65 and name HD3 )) ASSI { 5283} (( segid " " and resid 133 and name HG3 )) (( segid " " and resid 133 and name HB3 )) 2.200 0.600 0.600 peak 5283 spectrum 1 weight 0.10000E+01 volume 0.17554E-01 ppm1 2.275 ppm2 1.943 CV 1 OR { 5283} (( segid " " and resid 133 and name HG2 )) (( segid " " and resid 133 and name HB3 )) OR { 5283} (( segid " " and resid 113 and name HG3 )) (( segid " " and resid 113 and name HB3 )) ASSI { 5287} (( segid " " and resid 134 and name HA )) (( segid " " and resid 137 and name HD2 )) 3.400 1.400 1.400 peak 5287 spectrum 1 weight 0.10000E+01 volume 0.17769E-02 ppm1 4.461 ppm2 1.684 CV 1 OR { 5287} (( segid " " and resid 134 and name HA )) (( segid " " and resid 137 and name HD3 )) OR { 5287} (( segid " " and resid 134 and name HA )) (( segid " " and resid 103 and name HG )) ASSI { 5289} (( segid " " and resid 4 and name HB3 )) (( segid " " and resid 35 and name HB3 )) 3.900 1.900 1.900 peak 5289 spectrum 1 weight 0.10000E+01 volume 0.87086E-03 ppm1 2.454 ppm2 1.931 CV 1 OR { 5289} (( segid " " and resid 4 and name HB3 )) (( segid " " and resid 35 and name HB2 )) OR { 5289} (( segid " " and resid 4 and name HB3 )) (( segid " " and resid 7 and name HB )) OR { 5289} (( segid " " and resid 134 and name HB3 )) (( segid " " and resid 133 and name HB3 )) ASSI { 5290} (( segid " " and resid 134 and name HB3 )) (( segid " " and resid 103 and name HG )) 4.400 2.400 1.600 peak 5290 spectrum 1 weight 0.10000E+01 volume 0.62528E-03 ppm1 2.454 ppm2 1.686 CV 1 OR { 5290} (( segid " " and resid 134 and name HB3 )) (( segid " " and resid 138 and name HB3 )) OR { 5290} (( segid " " and resid 134 and name HB3 )) (( segid " " and resid 137 and name HD3 )) ASSI { 5311} (( segid " " and resid 135 and name HA )) ( segid " " and resid 103 and name HD1%) 3.700 1.700 1.700 peak 5311 spectrum 1 weight 0.10000E+01 volume 0.11701E-02 ppm1 3.339 ppm2 0.912 CV 1 OR { 5311} (( segid " " and resid 135 and name HA )) ( segid " " and resid 138 and name HD2%) ASSI { 5314} (( segid " " and resid 135 and name HA )) ( segid " " and resid 106 and name HD1%) 3.400 1.500 1.500 peak 5314 spectrum 1 weight 0.10000E+01 volume 0.16571E-02 ppm1 3.339 ppm2 0.793 CV 1 OR { 5314} (( segid " " and resid 135 and name HA )) ( segid " " and resid 138 and name HD1%) ASSI { 5320} ( segid " " and resid 135 and name HG2%) ( segid " " and resid 135 and name HG1%) 1.900 0.500 0.500 peak 5320 spectrum 1 weight 0.10000E+01 volume 0.31902E-01 ppm1 0.442 ppm2 0.695 CV 1 OR { 5320} ( segid " " and resid 135 and name HG2%) ( segid " " and resid 103 and name HD2%) ASSI { 5322} ( segid " " and resid 135 and name HG2%) (( segid " " and resid 118 and name HB2 )) 3.800 1.800 1.800 peak 5322 spectrum 1 weight 0.10000E+01 volume 0.16112E-02 ppm1 0.442 ppm2 1.682 CV 1 OR { 5322} ( segid " " and resid 135 and name HG2%) (( segid " " and resid 138 and name HB3 )) OR { 5322} ( segid " " and resid 135 and name HG2%) (( segid " " and resid 132 and name HB2 )) ASSI { 5323} ( segid " " and resid 135 and name HG2%) (( segid " " and resid 132 and name HG2 )) 3.900 1.900 1.900 peak 5323 spectrum 1 weight 0.10000E+01 volume 0.10092E-02 ppm1 0.442 ppm2 1.777 CV 1 OR { 5323} ( segid " " and resid 135 and name HG2%) (( segid " " and resid 138 and name HB2 )) ASSI { 5324} ( segid " " and resid 135 and name HG2%) (( segid " " and resid 139 and name HB2 )) 4.100 2.100 1.900 peak 5324 spectrum 1 weight 0.10000E+01 volume 0.14502E-02 ppm1 0.442 ppm2 1.910 CV 1 OR { 5324} ( segid " " and resid 135 and name HG2%) (( segid " " and resid 137 and name HB3 )) OR { 5324} ( segid " " and resid 135 and name HG2%) (( segid " " and resid 137 and name HB2 )) ASSI { 5325} ( segid " " and resid 135 and name HG2%) (( segid " " and resid 120 and name HB2 )) 4.000 2.000 2.000 peak 5325 spectrum 1 weight 0.10000E+01 volume 0.96861E-03 ppm1 0.442 ppm2 2.176 CV 1 OR { 5325} ( segid " " and resid 135 and name HG2%) (( segid " " and resid 106 and name HB )) OR { 5325} ( segid " " and resid 135 and name HG2%) (( segid " " and resid 142 and name HB )) ASSI { 5328} ( segid " " and resid 135 and name HG2%) ( segid " " and resid 120 and name HD1%) 2.800 1.000 1.000 peak 5328 spectrum 1 weight 0.10000E+01 volume 0.41934E-02 ppm1 0.442 ppm2 0.904 CV 1 OR { 5328} ( segid " " and resid 135 and name HG2%) ( segid " " and resid 103 and name HD1%) ASSI { 5331} ( segid " " and resid 135 and name HG2%) (( segid " " and resid 138 and name HN )) 4.700 2.800 1.300 peak 5331 spectrum 1 weight 0.10000E+01 volume 0.79279E-03 ppm1 0.442 ppm2 7.524 CV 1 OR { 5331} ( segid " " and resid 135 and name HG2%) (( segid " " and resid 142 and name HN )) ASSI { 5332} ( segid " " and resid 135 and name HG2%) (( segid " " and resid 139 and name HN )) 4.400 2.400 1.600 peak 5332 spectrum 1 weight 0.10000E+01 volume 0.97934E-03 ppm1 0.442 ppm2 7.904 CV 1 OR { 5332} ( segid " " and resid 135 and name HG2%) (( segid " " and resid 132 and name HE )) ASSI { 5339} ( segid " " and resid 135 and name HG1%) (( segid " " and resid 118 and name HB2 )) 3.200 1.300 1.300 peak 5339 spectrum 1 weight 0.10000E+01 volume 0.27622E-02 ppm1 0.691 ppm2 1.684 CV 1 OR { 5339} ( segid " " and resid 135 and name HG1%) (( segid " " and resid 138 and name HB3 )) OR { 5339} ( segid " " and resid 135 and name HG1%) (( segid " " and resid 132 and name HB2 )) ASSI { 5340} ( segid " " and resid 135 and name HG1%) (( segid " " and resid 138 and name HB2 )) 4.000 2.000 2.000 peak 5340 spectrum 1 weight 0.10000E+01 volume 0.18097E-02 ppm1 0.691 ppm2 1.770 CV 1 OR { 5340} ( segid " " and resid 135 and name HG1%) (( segid " " and resid 132 and name HG2 )) ASSI { 5347} ( segid " " and resid 135 and name HG1%) (( segid " " and resid 142 and name HN )) 4.400 2.500 1.600 peak 5347 spectrum 1 weight 0.10000E+01 volume 0.93885E-03 ppm1 0.693 ppm2 7.537 CV 1 OR { 5347} ( segid " " and resid 135 and name HG1%) (( segid " " and resid 138 and name HN )) ASSI { 5352} (( segid " " and resid 137 and name HA )) (( segid " " and resid 140 and name HA )) 4.000 2.000 2.000 peak 5352 spectrum 1 weight 0.10000E+01 volume 0.12661E-02 ppm1 4.060 ppm2 4.440 CV 1 OR { 5352} (( segid " " and resid 137 and name HA )) (( segid " " and resid 134 and name HA )) ASSI { 5373} ( segid " " and resid 138 and name HD1%) (( segid " " and resid 138 and name HN )) 3.500 1.500 1.500 peak 5373 spectrum 1 weight 0.10000E+01 volume 0.36898E-02 ppm1 0.802 ppm2 7.493 CV 1 OR { 5373} ( segid " " and resid 80 and name HD1%) (( segid " " and resid 107 and name HN )) ASSI { 5376} ( segid " " and resid 120 and name HD2%) (( segid " " and resid 121 and name HN )) 3.900 1.900 1.900 peak 5376 spectrum 1 weight 0.10000E+01 volume 0.14675E-02 ppm1 0.802 ppm2 7.128 CV 1 OR { 5376} ( segid " " and resid 80 and name HD1%) (( segid " " and resid 106 and name HN )) ASSI { 5377} (( segid " " and resid 139 and name HB2 )) (( segid " " and resid 142 and name HN )) 4.200 2.200 1.800 peak 5377 spectrum 1 weight 0.10000E+01 volume 0.65690E-03 ppm1 1.908 ppm2 7.536 CV 1 OR { 5377} (( segid " " and resid 139 and name HB2 )) (( segid " " and resid 138 and name HN )) ASSI { 5378} (( segid " " and resid 139 and name HB3 )) ( segid " " and resid 139 and name HD2%) 2.500 0.800 0.800 peak 5378 spectrum 1 weight 0.10000E+01 volume 0.46053E-02 ppm1 1.009 ppm2 0.745 CV 1 OR { 5378} (( segid " " and resid 139 and name HB3 )) ( segid " " and resid 142 and name HG2%) ASSI { 5382} (( segid " " and resid 139 and name HB3 )) (( segid " " and resid 109 and name HB2 )) 4.400 2.400 1.600 peak 5382 spectrum 1 weight 0.10000E+01 volume 0.77791E-03 ppm1 1.009 ppm2 2.168 CV 1 OR { 5382} (( segid " " and resid 139 and name HB3 )) (( segid " " and resid 142 and name HB )) ASSI { 5383} (( segid " " and resid 139 and name HB2 )) (( segid " " and resid 139 and name HG )) 2.800 1.000 1.000 peak 5383 spectrum 1 weight 0.10000E+01 volume 0.14693E-02 ppm1 1.908 ppm2 1.463 CV 1 OR { 5383} (( segid " " and resid 139 and name HB2 )) (( segid " " and resid 135 and name HB )) ASSI { 5385} (( segid " " and resid 139 and name HB2 )) ( segid " " and resid 139 and name HD2%) 2.800 1.000 1.000 peak 5385 spectrum 1 weight 0.10000E+01 volume 0.57312E-02 ppm1 1.908 ppm2 0.748 CV 1 OR { 5385} (( segid " " and resid 139 and name HB2 )) ( segid " " and resid 142 and name HG2%) OR { 5385} (( segid " " and resid 139 and name HB2 )) ( segid " " and resid 142 and name HG1%) OR { 5385} (( segid " " and resid 83 and name HB2 )) ( segid " " and resid 60 and name HD1%) ASSI { 5386} (( segid " " and resid 139 and name HB2 )) ( segid " " and resid 139 and name HD1%) 2.800 1.000 1.000 peak 5386 spectrum 1 weight 0.10000E+01 volume 0.42643E-02 ppm1 1.908 ppm2 0.643 CV 1 OR { 5386} (( segid " " and resid 83 and name HB2 )) ( segid " " and resid 83 and name HD2%) ASSI { 5387} (( segid " " and resid 139 and name HB2 )) (( segid " " and resid 142 and name HB )) 4.600 2.700 1.400 peak 5387 spectrum 1 weight 0.10000E+01 volume 0.77791E-03 ppm1 1.908 ppm2 2.161 CV 1 OR { 5387} (( segid " " and resid 139 and name HB2 )) (( segid " " and resid 109 and name HB2 )) OR { 5387} (( segid " " and resid 83 and name HB2 )) (( segid " " and resid 82 and name HB )) ASSI { 5395} ( segid " " and resid 139 and name HD1%) (( segid " " and resid 110 and name HA )) 3.600 1.600 1.600 peak 5395 spectrum 1 weight 0.10000E+01 volume 0.14944E-02 ppm1 0.643 ppm2 3.956 CV 1 OR { 5395} ( segid " " and resid 139 and name HD1%) (( segid " " and resid 107 and name HA )) ASSI { 5416} ( segid " " and resid 139 and name HD2%) (( segid " " and resid 142 and name HN )) 3.800 1.800 1.800 peak 5416 spectrum 1 weight 0.10000E+01 volume 0.16398E-02 ppm1 0.742 ppm2 7.511 CV 1 OR { 5416} ( segid " " and resid 139 and name HD2%) (( segid " " and resid 138 and name HN )) ASSI { 5423} (( segid " " and resid 139 and name HB3 )) (( segid " " and resid 142 and name HN )) 3.800 1.800 1.800 peak 5423 spectrum 1 weight 0.10000E+01 volume 0.49302E-03 ppm1 1.009 ppm2 7.516 CV 1 OR { 5423} (( segid " " and resid 139 and name HB3 )) (( segid " " and resid 138 and name HN )) ASSI { 5430} (( segid " " and resid 82 and name HB )) (( segid " " and resid 81 and name HN )) 4.600 2.600 1.400 peak 5430 spectrum 1 weight 0.10000E+01 volume 0.77791E-03 ppm1 2.165 ppm2 10.000 CV 1 OR { 5430} (( segid " " and resid 142 and name HB )) (( segid " " and resid 141 and name HN )) ASSI { 5433} ( segid " " and resid 52 and name HG1%) (( segid " " and resid 24 and name HB2 )) 2.600 0.900 0.900 peak 5433 spectrum 1 weight 0.10000E+01 volume 0.44861E-02 ppm1 0.725 ppm2 1.667 CV 1 OR { 5433} ( segid " " and resid 142 and name HG2%) (( segid " " and resid 118 and name HB2 )) OR { 5433} ( segid " " and resid 142 and name HG2%) (( segid " " and resid 143 and name HB2 )) ASSI { 5434} ( segid " " and resid 142 and name HG1%) (( segid " " and resid 115 and name HB2 )) 2.400 0.700 0.700 peak 5434 spectrum 1 weight 0.10000E+01 volume 0.89591E-02 ppm1 0.751 ppm2 1.928 CV 1 OR { 5434} ( segid " " and resid 142 and name HG1%) (( segid " " and resid 139 and name HB2 )) OR { 5434} ( segid " " and resid 66 and name HD2%) (( segid " " and resid 68 and name HB2 )) ASSI { 5435} ( segid " " and resid 142 and name HG1%) (( segid " " and resid 118 and name HB2 )) 2.500 0.800 0.800 peak 5435 spectrum 1 weight 0.10000E+01 volume 0.47138E-02 ppm1 0.751 ppm2 1.667 CV 1 OR { 5435} ( segid " " and resid 66 and name HD2%) (( segid " " and resid 90 and name HG )) OR { 5435} ( segid " " and resid 66 and name HD2%) (( segid " " and resid 67 and name HG3 )) ASSI { 5436} ( segid " " and resid 52 and name HG1%) (( segid " " and resid 27 and name HB3 )) 3.800 1.800 1.800 peak 5436 spectrum 1 weight 0.10000E+01 volume 0.10306E-02 ppm1 0.726 ppm2 2.845 CV 1 OR { 5436} ( segid " " and resid 142 and name HG2%) (( segid " " and resid 136 and name HB3 )) ASSI { 5441} ( segid " " and resid 52 and name HG1%) (( segid " " and resid 51 and name HN )) 2.800 1.000 1.000 peak 5441 spectrum 1 weight 0.10000E+01 volume 0.46649E-02 ppm1 0.725 ppm2 8.143 CV 1 OR { 5441} ( segid " " and resid 142 and name HG2%) (( segid " " and resid 144 and name HN )) ASSI { 5444} ( segid " " and resid 142 and name HG2%) (( segid " " and resid 145 and name HN )) 4.200 2.200 1.800 peak 5444 spectrum 1 weight 0.10000E+01 volume 0.79519E-03 ppm1 0.725 ppm2 8.993 CV 1 OR { 5444} ( segid " " and resid 142 and name HG2%) (( segid " " and resid 116 and name HN )) ASSI { 5446} ( segid " " and resid 95 and name HD2%) (( segid " " and resid 98 and name HB3 )) 3.200 1.300 1.300 peak 5446 spectrum 1 weight 0.10000E+01 volume 0.25554E-02 ppm1 0.751 ppm2 2.764 CV 1 OR { 5446} ( segid " " and resid 142 and name HG1%) (( segid " " and resid 141 and name HG2 )) OR { 5446} ( segid " " and resid 95 and name HD2%) (( segid " " and resid 94 and name HB3 )) ASSI { 5447} ( segid " " and resid 142 and name HG1%) (( segid " " and resid 141 and name HG3 )) 3.300 1.400 1.400 peak 5447 spectrum 1 weight 0.10000E+01 volume 0.14288E-02 ppm1 0.751 ppm2 2.673 CV 1 OR { 5447} ( segid " " and resid 66 and name HD2%) (( segid " " and resid 45 and name HG2 )) OR { 5447} ( segid " " and resid 95 and name HD2%) (( segid " " and resid 119 and name HB3 )) ASSI { 5451} ( segid " " and resid 138 and name HD1%) (( segid " " and resid 107 and name HA )) 2.900 1.000 1.000 peak 5451 spectrum 1 weight 0.10000E+01 volume 0.93169E-02 ppm1 0.802 ppm2 3.959 CV 1 OR { 5451} ( segid " " and resid 80 and name HD1%) (( segid " " and resid 80 and name HA )) OR { 5451} ( segid " " and resid 80 and name HD1%) (( segid " " and resid 109 and name HA )) ASSI { 5454} ( segid " " and resid 138 and name HD1%) (( segid " " and resid 135 and name HA )) 4.100 2.100 1.900 peak 5454 spectrum 1 weight 0.10000E+01 volume 0.15093E-02 ppm1 0.802 ppm2 3.334 CV 1 OR { 5454} ( segid " " and resid 120 and name HD2%) (( segid " " and resid 135 and name HA )) ASSI { 5455} ( segid " " and resid 138 and name HD1%) (( segid " " and resid 107 and name HG2 )) 3.800 1.800 1.800 peak 5455 spectrum 1 weight 0.10000E+01 volume 0.15093E-02 ppm1 0.802 ppm2 2.431 CV 1 OR { 5455} ( segid " " and resid 80 and name HD1%) (( segid " " and resid 108 and name HB2 )) ASSI { 5460} (( segid " " and resid 142 and name HA )) (( segid " " and resid 143 and name HN )) 1.900 0.400 0.400 peak 5460 spectrum 1 weight 0.10000E+01 volume 0.13304E-01 ppm1 3.844 ppm2 8.610 CV 1 OR { 5460} (( segid " " and resid 19 and name HA )) (( segid " " and resid 20 and name HN )) ASSI { 5469} (( segid " " and resid 142 and name HA )) ( segid " " and resid 142 and name HG1%) 2.400 0.700 0.700 peak 5469 spectrum 1 weight 0.10000E+01 volume 0.89175E-02 ppm1 3.843 ppm2 0.738 CV 1 OR { 5469} (( segid " " and resid 142 and name HA )) ( segid " " and resid 142 and name HG2%) OR { 5469} (( segid " " and resid 125 and name HA )) ( segid " " and resid 125 and name HG2%) ASSI { 5472} ( segid " " and resid 139 and name HD2%) (( segid " " and resid 112 and name HN )) 4.000 2.000 2.000 peak 5472 spectrum 1 weight 0.10000E+01 volume 0.81960E-03 ppm1 0.747 ppm2 7.159 CV 1 OR { 5472} ( segid " " and resid 142 and name HG1%) ( segid " " and resid 136 and name HE% ) OR { 5472} ( segid " " and resid 142 and name HG1%) ( segid " " and resid 136 and name HD% ) OR { 5472} ( segid " " and resid 95 and name HD2%) (( segid " " and resid 106 and name HN )) ASSI { 5473} ( segid " " and resid 139 and name HD2%) (( segid " " and resid 111 and name HN )) 3.300 1.300 1.300 peak 5473 spectrum 1 weight 0.10000E+01 volume 0.86850E-03 ppm1 0.747 ppm2 6.994 CV 1 OR { 5473} ( segid " " and resid 139 and name HD2%) (( segid " " and resid 115 and name HN )) ASSI { 5476} ( segid " " and resid 142 and name HG1%) (( segid " " and resid 117 and name HA )) 3.000 1.100 1.100 peak 5476 spectrum 1 weight 0.10000E+01 volume 0.33023E-02 ppm1 0.764 ppm2 5.809 CV 1 OR { 5476} ( segid " " and resid 66 and name HD2%) (( segid " " and resid 46 and name HA )) ASSI { 5478} ( segid " " and resid 142 and name HG1%) (( segid " " and resid 117 and name HN )) 3.500 1.500 1.500 peak 5478 spectrum 1 weight 0.10000E+01 volume 0.11445E-02 ppm1 0.751 ppm2 8.312 CV 1 OR { 5478} ( segid " " and resid 66 and name HD2%) (( segid " " and resid 69 and name HN )) ASSI { 5480} (( segid " " and resid 19 and name HA )) (( segid " " and resid 19 and name HN )) 3.000 1.100 1.100 peak 5480 spectrum 1 weight 0.10000E+01 volume 0.18532E-02 ppm1 3.843 ppm2 7.225 CV 1 OR { 5480} (( segid " " and resid 125 and name HA )) (( segid " " and resid 126 and name HN )) ASSI { 5487} (( segid " " and resid 82 and name HB )) (( segid " " and resid 58 and name HA )) 3.500 1.500 1.500 peak 5487 spectrum 1 weight 0.10000E+01 volume 0.15057E-02 ppm1 2.151 ppm2 4.047 CV 1 OR { 5487} (( segid " " and resid 82 and name HB )) (( segid " " and resid 81 and name HA )) ASSI { 5490} (( segid " " and resid 142 and name HB )) (( segid " " and resid 144 and name HN )) 3.700 1.700 1.700 peak 5490 spectrum 1 weight 0.10000E+01 volume 0.96030E-03 ppm1 2.151 ppm2 8.153 CV 1 OR { 5490} (( segid " " and resid 143 and name HG3 )) (( segid " " and resid 144 and name HN )) ASSI { 5494} (( segid " " and resid 143 and name HG3 )) (( segid " " and resid 143 and name HN )) 3.300 1.400 1.400 peak 5494 spectrum 1 weight 0.10000E+01 volume 0.18449E-02 ppm1 2.141 ppm2 8.597 CV 1 OR { 5494} (( segid " " and resid 142 and name HB )) (( segid " " and resid 143 and name HN )) ASSI { 5495} (( segid " " and resid 131 and name HA )) ( segid " " and resid 103 and name HD2%) 3.400 1.400 1.400 peak 5495 spectrum 1 weight 0.10000E+01 volume 0.15593E-02 ppm1 4.064 ppm2 0.695 CV 1 OR { 5495} (( segid " " and resid 131 and name HA )) ( segid " " and resid 125 and name HG2%) ASSI { 25} ( segid " " and resid 8 and name HE% ) (( segid " " and resid 8 and name HA )) 4.000 2.000 2.000 peak 25 spectrum 1 weight 0.10000E+01 volume 0.16783E-02 ppm1 6.864 ppm2 4.179 CV 1 OR { 25} ( segid " " and resid 8 and name HE% ) (( segid " " and resid 5 and name HA )) ASSI { 26} ( segid " " and resid 8 and name HE% ) (( segid " " and resid 9 and name HA )) 3.800 1.800 1.800 peak 26 spectrum 1 weight 0.10000E+01 volume 0.14103E-02 ppm1 6.864 ppm2 4.119 CV 1 OR { 26} ( segid " " and resid 8 and name HE% ) (( segid " " and resid 5 and name HA )) ASSI { 28} ( segid " " and resid 8 and name HE% ) (( segid " " and resid 12 and name HB2 )) 3.500 1.500 1.500 peak 28 spectrum 1 weight 0.10000E+01 volume 0.14185E-02 ppm1 6.864 ppm2 1.829 CV 1 OR { 28} ( segid " " and resid 8 and name HE% ) (( segid " " and resid 12 and name HB3 )) OR { 28} ( segid " " and resid 8 and name HE% ) (( segid " " and resid 9 and name HB3 )) ASSI { 29} ( segid " " and resid 8 and name HE% ) ( segid " " and resid 11 and name HD1%) 3.600 1.600 1.600 peak 29 spectrum 1 weight 0.10000E+01 volume 0.26522E-02 ppm1 6.864 ppm2 0.950 CV 1 OR { 29} ( segid " " and resid 8 and name HE% ) ( segid " " and resid 9 and name HD1%) ASSI { 35} ( segid " " and resid 8 and name HD% ) (( segid " " and resid 11 and name HB2 )) 3.100 1.200 1.200 peak 35 spectrum 1 weight 0.10000E+01 volume 0.31791E-02 ppm1 7.171 ppm2 1.850 CV 1 OR { 35} ( segid " " and resid 8 and name HD% ) (( segid " " and resid 12 and name HB2 )) OR { 35} ( segid " " and resid 8 and name HD% ) (( segid " " and resid 9 and name HB3 )) OR { 35} ( segid " " and resid 8 and name HD% ) (( segid " " and resid 12 and name HB3 )) ASSI { 36} ( segid " " and resid 8 and name HD% ) (( segid " " and resid 9 and name HB2 )) 3.600 1.600 1.600 peak 36 spectrum 1 weight 0.10000E+01 volume 0.15179E-02 ppm1 7.172 ppm2 1.967 CV 1 OR { 36} ( segid " " and resid 8 and name HD% ) (( segid " " and resid 11 and name HG )) ASSI { 37} ( segid " " and resid 8 and name HD% ) ( segid " " and resid 11 and name HD1%) 3.000 1.100 1.100 peak 37 spectrum 1 weight 0.10000E+01 volume 0.51580E-02 ppm1 7.172 ppm2 0.952 CV 1 OR { 37} ( segid " " and resid 8 and name HD% ) ( segid " " and resid 9 and name HD1%) ASSI { 40} (( segid " " and resid 41 and name HZ )) ( segid " " and resid 7 and name HG2%) 2.700 0.900 0.900 peak 40 spectrum 1 weight 0.10000E+01 volume 0.23011E-02 ppm1 7.242 ppm2 0.929 CV 1 OR { 40} (( segid " " and resid 41 and name HZ )) ( segid " " and resid 11 and name HD1%) ASSI { 49} ( segid " " and resid 41 and name HD% ) (( segid " " and resid 40 and name HB2 )) 3.200 1.300 1.300 peak 49 spectrum 1 weight 0.10000E+01 volume 0.10778E-02 ppm1 7.494 ppm2 1.940 CV 1 OR { 49} ( segid " " and resid 41 and name HD% ) (( segid " " and resid 44 and name HB2 )) ASSI { 50} ( segid " " and resid 41 and name HD% ) (( segid " " and resid 44 and name HB3 )) 4.100 2.100 1.900 peak 50 spectrum 1 weight 0.10000E+01 volume 0.15053E-02 ppm1 7.494 ppm2 1.584 CV 1 OR { 50} ( segid " " and resid 41 and name HD% ) (( segid " " and resid 61 and name HG2 )) ASSI { 51} ( segid " " and resid 41 and name HD% ) (( segid " " and resid 61 and name HG3 )) 3.600 1.600 1.600 peak 51 spectrum 1 weight 0.10000E+01 volume 0.99392E-03 ppm1 7.494 ppm2 1.388 CV 1 OR { 51} ( segid " " and resid 41 and name HD% ) (( segid " " and resid 22 and name HB2 )) ASSI { 52} ( segid " " and resid 41 and name HD% ) ( segid " " and resid 38 and name HG2%) 3.900 1.900 1.900 peak 52 spectrum 1 weight 0.10000E+01 volume 0.14942E-02 ppm1 7.494 ppm2 1.219 CV 1 OR { 52} ( segid " " and resid 41 and name HD% ) (( segid " " and resid 37 and name HG )) ASSI { 53} ( segid " " and resid 41 and name HD% ) ( segid " " and resid 19 and name HG1%) 3.000 1.100 1.100 peak 53 spectrum 1 weight 0.10000E+01 volume 0.41203E-02 ppm1 7.494 ppm2 0.966 CV 1 OR { 53} ( segid " " and resid 41 and name HD% ) ( segid " " and resid 63 and name HD2%) OR { 53} ( segid " " and resid 41 and name HD% ) ( segid " " and resid 19 and name HG2%) ASSI { 55} ( segid " " and resid 41 and name HD% ) ( segid " " and resid 63 and name HD1%) 3.500 1.500 1.500 peak 55 spectrum 1 weight 0.10000E+01 volume 0.23463E-02 ppm1 7.494 ppm2 0.723 CV 1 OR { 55} ( segid " " and resid 41 and name HD% ) ( segid " " and resid 22 and name HD2%) OR { 55} ( segid " " and resid 41 and name HD% ) ( segid " " and resid 7 and name HD1%) ASSI { 61} ( segid " " and resid 41 and name HE% ) ( segid " " and resid 19 and name HG1%) 2.700 0.900 0.900 peak 61 spectrum 1 weight 0.10000E+01 volume 0.40491E-02 ppm1 7.351 ppm2 0.960 CV 1 OR { 61} ( segid " " and resid 41 and name HE% ) ( segid " " and resid 11 and name HD1%) OR { 61} ( segid " " and resid 41 and name HE% ) ( segid " " and resid 19 and name HG2%) ASSI { 63} ( segid " " and resid 41 and name HE% ) ( segid " " and resid 22 and name HD2%) 2.900 1.100 1.100 peak 63 spectrum 1 weight 0.10000E+01 volume 0.24354E-02 ppm1 7.351 ppm2 0.715 CV 1 OR { 63} ( segid " " and resid 41 and name HE% ) ( segid " " and resid 7 and name HD1%) ASSI { 67} ( segid " " and resid 46 and name HD% ) (( segid " " and resid 22 and name HN )) 3.500 1.500 1.500 peak 67 spectrum 1 weight 0.10000E+01 volume 0.12248E-02 ppm1 7.188 ppm2 8.167 CV 1 OR { 67} ( segid " " and resid 46 and name HD% ) (( segid " " and resid 68 and name HN )) ASSI { 69} ( segid " " and resid 46 and name HD% ) (( segid " " and resid 21 and name HA )) 3.700 1.700 1.700 peak 69 spectrum 1 weight 0.10000E+01 volume 0.12262E-02 ppm1 7.188 ppm2 5.446 CV 1 OR { 69} ( segid " " and resid 46 and name HD% ) (( segid " " and resid 68 and name HA )) ASSI { 73} ( segid " " and resid 46 and name HD% ) (( segid " " and resid 21 and name HG2 )) 3.200 1.300 1.300 peak 73 spectrum 1 weight 0.10000E+01 volume 0.16397E-02 ppm1 7.188 ppm2 2.347 CV 1 OR { 73} ( segid " " and resid 46 and name HD% ) (( segid " " and resid 68 and name HE3 )) ASSI { 79} ( segid " " and resid 46 and name HD% ) ( segid " " and resid 23 and name HG2%) 3.200 1.200 1.200 peak 79 spectrum 1 weight 0.10000E+01 volume 0.32675E-02 ppm1 7.188 ppm2 0.785 CV 1 OR { 79} ( segid " " and resid 46 and name HD% ) ( segid " " and resid 66 and name HD2%) ASSI { 87} (( segid " " and resid 92 and name HD2 )) (( segid " " and resid 68 and name HG2 )) 3.400 1.400 1.400 peak 87 spectrum 1 weight 0.10000E+01 volume 0.11950E-02 ppm1 6.838 ppm2 1.325 CV 1 OR { 87} (( segid " " and resid 92 and name HD2 )) (( segid " " and resid 69 and name HB3 )) ASSI { 88} (( segid " " and resid 46 and name HZ )) (( segid " " and resid 70 and name HG2 )) 4.200 2.200 1.800 peak 88 spectrum 1 weight 0.10000E+01 volume 0.85066E-03 ppm1 7.363 ppm2 2.539 CV 1 OR { 88} (( segid " " and resid 46 and name HZ )) (( segid " " and resid 70 and name HB2 )) OR { 88} (( segid " " and resid 46 and name HZ )) (( segid " " and resid 68 and name HE2 )) ASSI { 95} ( segid " " and resid 131 and name HE% ) (( segid " " and resid 120 and name HA )) 3.100 3.100 2.900 peak 95 spectrum 1 weight 0.10000E+01 volume 0.92267E-03 ppm1 6.757 ppm2 4.279 CV 1 OR { 95} ( segid " " and resid 131 and name HE% ) (( segid " " and resid 136 and name HA )) OR { 95} ( segid " " and resid 131 and name HE% ) (( segid " " and resid 147 and name HA1 )) ASSI { 100} ( segid " " and resid 163 and name HE% ) (( segid " " and resid 161 and name HB2 )) 2.600 2.600 3.400 peak 100 spectrum 1 weight 0.10000E+01 volume 0.16886E-02 ppm1 6.757 ppm2 1.980 CV 1 OR { 100} ( segid " " and resid 131 and name HE% ) (( segid " " and resid 128 and name HG )) ASSI { 101} ( segid " " and resid 131 and name HE% ) (( segid " " and resid 128 and name HB2 )) 2.700 2.700 3.300 peak 101 spectrum 1 weight 0.10000E+01 volume 0.14608E-02 ppm1 6.757 ppm2 1.858 CV 1 OR { 101} ( segid " " and resid 163 and name HE% ) (( segid " " and resid 161 and name HB3 )) OR { 101} ( segid " " and resid 131 and name HE% ) (( segid " " and resid 137 and name HB3 )) OR { 101} ( segid " " and resid 131 and name HE% ) (( segid " " and resid 137 and name HB2 )) ASSI { 108} ( segid " " and resid 131 and name HD% ) (( segid " " and resid 128 and name HG )) 2.800 2.800 3.200 peak 108 spectrum 1 weight 0.10000E+01 volume 0.21073E-02 ppm1 7.039 ppm2 1.979 CV 1 OR { 108} ( segid " " and resid 131 and name HD% ) (( segid " " and resid 133 and name HB3 )) ASSI { 110} ( segid " " and resid 163 and name HD% ) ( segid " " and resid 164 and name HG2%) 3.400 1.400 1.400 peak 110 spectrum 1 weight 0.10000E+01 volume 0.14564E-02 ppm1 7.039 ppm2 0.845 CV 1 OR { 110} ( segid " " and resid 163 and name HD% ) ( segid " " and resid 164 and name HG1%) OR { 110} ( segid " " and resid 131 and name HD% ) ( segid " " and resid 103 and name HD1%) ASSI { 111} ( segid " " and resid 131 and name HD% ) (( segid " " and resid 132 and name HG3 )) 3.700 1.700 1.700 peak 111 spectrum 1 weight 0.10000E+01 volume 0.85582E-03 ppm1 7.039 ppm2 1.322 CV 1 OR { 111} ( segid " " and resid 131 and name HD% ) ( segid " " and resid 130 and name HB% ) ASSI { 113} ( segid " " and resid 163 and name HD% ) (( segid " " and resid 164 and name HA )) 3.900 1.900 1.900 peak 113 spectrum 1 weight 0.10000E+01 volume 0.98054E-03 ppm1 7.039 ppm2 3.976 CV 1 OR { 113} ( segid " " and resid 131 and name HD% ) (( segid " " and resid 133 and name HA )) ASSI { 120} ( segid " " and resid 136 and name HE% ) (( segid " " and resid 132 and name HA )) 3.900 1.900 1.900 peak 120 spectrum 1 weight 0.10000E+01 volume 0.12804E-02 ppm1 7.124 ppm2 2.727 CV 1 OR { 120} ( segid " " and resid 136 and name HD% ) (( segid " " and resid 132 and name HA )) OR { 120} ( segid " " and resid 136 and name HE% ) (( segid " " and resid 150 and name HD2 )) OR { 120} ( segid " " and resid 136 and name HE% ) (( segid " " and resid 150 and name HD3 )) OR { 120} ( segid " " and resid 136 and name HD% ) (( segid " " and resid 150 and name HD3 )) ASSI { 121} ( segid " " and resid 136 and name HE% ) ( segid " " and resid 142 and name HG2%) 3.400 1.400 1.400 peak 121 spectrum 1 weight 0.10000E+01 volume 0.17139E-02 ppm1 7.124 ppm2 0.734 CV 1 OR { 121} ( segid " " and resid 136 and name HD% ) ( segid " " and resid 142 and name HG2%) OR { 121} ( segid " " and resid 136 and name HE% ) ( segid " " and resid 145 and name HD2%) OR { 121} ( segid " " and resid 136 and name HD% ) ( segid " " and resid 145 and name HD2%) ASSI { 138} (( segid " " and resid 136 and name HZ )) ( segid " " and resid 145 and name HD2%) 4.100 2.100 1.900 peak 138 spectrum 1 weight 0.10000E+01 volume 0.12099E-02 ppm1 6.928 ppm2 0.731 CV 1 OR { 138} (( segid " " and resid 136 and name HZ )) ( segid " " and resid 142 and name HG2%) ASSI { 149} ( segid " " and resid 144 and name HD% ) (( segid " " and resid 116 and name HB3 )) 3.200 1.200 1.200 peak 149 spectrum 1 weight 0.10000E+01 volume 0.97758E-03 ppm1 6.848 ppm2 1.988 CV 1 OR { 149} ( segid " " and resid 144 and name HD% ) (( segid " " and resid 116 and name HB2 )) OR { 149} ( segid " " and resid 144 and name HD% ) (( segid " " and resid 156 and name HG2 )) ASSI { 167} ( segid " " and resid 148 and name HD% ) (( segid " " and resid 154 and name HG3 )) 4.000 2.000 2.000 peak 167 spectrum 1 weight 0.10000E+01 volume 0.13406E-02 ppm1 6.975 ppm2 2.114 CV 1 OR { 167} ( segid " " and resid 148 and name HD% ) (( segid " " and resid 153 and name HB2 ))
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