data_15932_sparta save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15932 _Entry.PDB_ID 2K7Z _Entry.NMR_STAR_version 3.0.9.100 save_ save_delta_chem_shifts_single _Entity_delta_chem_shifts.Sf_category delta_chem_shifts _Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_single _Entity_delta_chem_shifts.Conformer_type "single" _Entity_delta_chem_shifts.Conformer_count 20 _Entity_delta_chem_shifts.Best_conformer 1 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Assigned_chem_shift_list_ID _Delta_CS.Atom_chem_shift_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Conformer_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.PDB_asym_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entity_delta_chem_shifts_ID 1 17 . 1 1 1 A 12 12 VAL H H 225 7.819 8.328 -0.509 1 1 18 . 1 1 1 A 12 12 VAL HA H 225 4.946 3.609 1.337 1 1 26 . 1 1 1 A 12 12 VAL C C 225 175.898 176.247 -0.349 1 1 27 . 1 1 1 A 12 12 VAL CA C 225 59.650 62.962 -3.312 1 1 28 . 1 1 1 A 12 12 VAL CB C 225 35.296 31.225 4.071 1 1 31 . 1 1 1 A 12 12 VAL N N 225 117.637 124.110 -6.473 1 1 32 . 1 1 1 A 13 13 TYR H H 226 8.318 8.332 -0.014 1 1 33 . 1 1 1 A 13 13 TYR HA H 226 4.291 4.068 0.223 1 1 36 . 1 1 1 A 13 13 TYR C C 226 176.911 175.332 1.579 1 1 37 . 1 1 1 A 13 13 TYR CA C 226 60.063 59.040 1.023 1 1 38 . 1 1 1 A 13 13 TYR CB C 226 37.843 35.354 2.489 1 1 39 . 1 1 1 A 13 13 TYR N N 226 122.976 123.055 -0.079 1 1 40 . 1 1 1 A 14 14 GLN H H 227 9.128 7.743 1.385 1 1 41 . 1 1 1 A 14 14 GLN HA H 227 3.996 4.400 -0.404 1 1 46 . 1 1 1 A 14 14 GLN C C 227 175.052 177.225 -2.173 1 1 47 . 1 1 1 A 14 14 GLN CA C 227 57.421 55.692 1.729 1 1 48 . 1 1 1 A 14 14 GLN CB C 227 29.550 28.662 0.888 1 1 50 . 1 1 1 A 14 14 GLN N N 227 124.676 118.357 6.319 1 1 51 . 1 1 1 A 15 15 MET H H 228 8.465 8.089 0.376 1 1 52 . 1 1 1 A 15 15 MET HA H 228 5.210 4.625 0.585 1 1 60 . 1 1 1 A 15 15 MET C C 228 172.979 175.945 -2.966 1 1 61 . 1 1 1 A 15 15 MET CA C 228 52.955 54.826 -1.871 1 1 62 . 1 1 1 A 15 15 MET CB C 228 30.751 31.186 -0.435 1 1 65 . 1 1 1 A 15 15 MET N N 228 128.835 118.183 10.652 1 1 66 . 1 1 1 A 16 16 LYS H H 229 9.119 7.543 1.576 1 1 67 . 1 1 1 A 16 16 LYS HA H 229 4.558 4.239 0.319 1 1 76 . 1 1 1 A 16 16 LYS C C 229 176.209 176.417 -0.208 1 1 77 . 1 1 1 A 16 16 LYS CA C 229 55.916 56.230 -0.314 1 1 78 . 1 1 1 A 16 16 LYS CB C 229 35.555 32.016 3.539 1 1 82 . 1 1 1 A 16 16 LYS N N 229 120.235 119.077 1.158 1 1 83 . 1 1 1 A 17 17 SER H H 230 9.101 8.611 0.490 1 1 84 . 1 1 1 A 17 17 SER HA H 230 4.077 4.874 -0.797 1 1 87 . 1 1 1 A 17 17 SER C C 230 172.995 174.071 -1.076 1 1 88 . 1 1 1 A 17 17 SER CA C 230 59.615 57.365 2.250 1 1 89 . 1 1 1 A 17 17 SER CB C 230 64.482 66.778 -2.296 1 1 90 . 1 1 1 A 17 17 SER N N 230 121.500 119.013 2.487 1 1 91 . 1 1 1 A 18 18 LYS H H 231 8.120 8.955 -0.835 1 1 92 . 1 1 1 A 18 18 LYS HA H 231 4.373 4.012 0.361 1 1 101 . 1 1 1 A 18 18 LYS C C 231 173.565 177.047 -3.482 1 1 102 . 1 1 1 A 18 18 LYS CA C 231 53.231 61.431 -8.200 1 1 103 . 1 1 1 A 18 18 LYS CB C 231 34.596 30.690 3.906 1 1 107 . 1 1 1 A 18 18 LYS N N 231 120.561 123.726 -3.165 1 1 108 . 1 1 1 A 19 19 PRO HA H 232 4.898 4.503 0.395 1 1 115 . 1 1 1 A 19 19 PRO C C 232 176.162 177.370 -1.208 1 1 116 . 1 1 1 A 19 19 PRO CA C 232 62.838 62.830 0.008 1 1 117 . 1 1 1 A 19 19 PRO CB C 232 34.997 31.923 3.074 1 1 120 . 1 1 1 A 20 20 ARG H H 233 8.782 8.985 -0.203 1 1 121 . 1 1 1 A 20 20 ARG HA H 233 3.651 3.908 -0.257 1 1 122 . 1 1 1 A 20 20 ARG C C 233 175.210 175.932 -0.722 1 1 123 . 1 1 1 A 20 20 ARG CA C 233 56.621 57.486 -0.865 1 1 124 . 1 1 1 A 20 20 ARG CB C 233 30.581 30.560 0.021 1 1 127 . 1 1 1 A 20 20 ARG N N 233 118.785 120.195 -1.410 1 1 128 . 1 1 1 A 21 21 GLY H H 234 6.490 7.054 -0.564 1 1 129 . 1 1 1 A 21 21 GLY HA2 H 234 4.312 4.034 0.278 1 1 130 . 1 1 1 A 21 21 GLY HA3 H 234 4.662 4.169 0.493 1 1 131 . 1 1 1 A 21 21 GLY C C 234 172.012 171.431 0.581 1 1 132 . 1 1 1 A 21 21 GLY CA C 234 43.743 45.733 -1.990 1 1 133 . 1 1 1 A 21 21 GLY N N 234 128.529 103.358 25.171 1 1 134 . 1 1 1 A 22 22 TYR H H 235 9.327 8.528 0.799 1 1 135 . 1 1 1 A 22 22 TYR HA H 235 5.260 5.227 0.033 1 1 140 . 1 1 1 A 22 22 TYR C C 235 173.931 174.116 -0.185 1 1 141 . 1 1 1 A 22 22 TYR CA C 235 58.287 57.230 1.057 1 1 142 . 1 1 1 A 22 22 TYR CB C 235 39.762 39.072 0.690 1 1 145 . 1 1 1 A 22 22 TYR N N 235 119.429 121.233 -1.804 1 1 146 . 1 1 1 A 23 23 CYS H H 236 8.665 9.189 -0.524 1 1 147 . 1 1 1 A 23 23 CYS HA H 236 4.928 4.794 0.134 1 1 148 . 1 1 1 A 23 23 CYS C C 236 172.970 173.109 -0.139 1 1 149 . 1 1 1 A 23 23 CYS CA C 236 55.636 56.731 -1.095 1 1 150 . 1 1 1 A 23 23 CYS CB C 236 50.040 30.301 19.739 1 1 151 . 1 1 1 A 23 23 CYS N N 236 120.485 124.336 -3.851 1 1 152 . 1 1 1 A 24 24 LEU H H 237 8.619 8.494 0.125 1 1 153 . 1 1 1 A 24 24 LEU HA H 237 4.691 5.222 -0.531 1 1 163 . 1 1 1 A 24 24 LEU C C 237 175.850 175.863 -0.013 1 1 164 . 1 1 1 A 24 24 LEU CA C 237 54.053 53.571 0.482 1 1 165 . 1 1 1 A 24 24 LEU CB C 237 44.117 43.741 0.376 1 1 169 . 1 1 1 A 24 24 LEU N N 237 129.465 126.554 2.911 1 1 170 . 1 1 1 A 25 25 ILE H H 238 8.304 8.758 -0.454 1 1 171 . 1 1 1 A 25 25 ILE HA H 238 4.639 4.734 -0.095 1 1 179 . 1 1 1 A 25 25 ILE C C 238 174.032 174.668 -0.636 1 1 180 . 1 1 1 A 25 25 ILE CA C 238 60.879 60.735 0.144 1 1 181 . 1 1 1 A 25 25 ILE CB C 238 41.165 41.114 0.051 1 1 185 . 1 1 1 A 25 25 ILE N N 238 122.597 122.304 0.293 1 1 186 . 1 1 1 A 26 26 ILE H H 239 9.025 8.993 0.032 1 1 187 . 1 1 1 A 26 26 ILE HA H 239 4.778 4.517 0.261 1 1 197 . 1 1 1 A 26 26 ILE C C 239 173.104 175.493 -2.389 1 1 198 . 1 1 1 A 26 26 ILE CA C 239 60.733 60.939 -0.206 1 1 199 . 1 1 1 A 26 26 ILE CB C 239 38.237 37.544 0.693 1 1 203 . 1 1 1 A 26 26 ILE N N 239 129.303 128.470 0.833 1 1 204 . 1 1 1 A 27 27 ASN H H 240 8.957 9.570 -0.613 1 1 205 . 1 1 1 A 27 27 ASN HA H 240 5.174 4.918 0.256 1 1 208 . 1 1 1 A 27 27 ASN C C 240 172.948 174.818 -1.870 1 1 209 . 1 1 1 A 27 27 ASN CA C 240 52.055 51.967 0.088 1 1 210 . 1 1 1 A 27 27 ASN CB C 240 40.530 36.852 3.678 1 1 211 . 1 1 1 A 27 27 ASN N N 240 125.494 127.180 -1.686 1 1 212 . 1 1 1 A 28 28 ASN H H 241 9.118 7.679 1.439 1 1 213 . 1 1 1 A 28 28 ASN HA H 241 5.106 4.808 0.298 1 1 216 . 1 1 1 A 28 28 ASN C C 241 172.184 175.877 -3.693 1 1 217 . 1 1 1 A 28 28 ASN CA C 241 52.599 52.722 -0.123 1 1 218 . 1 1 1 A 28 28 ASN CB C 241 38.296 38.447 -0.151 1 1 219 . 1 1 1 A 28 28 ASN N N 241 125.089 120.962 4.127 1 1 220 . 1 1 1 A 29 29 HIS H H 242 9.512 8.529 0.983 1 1 221 . 1 1 1 A 29 29 HIS HA H 242 4.384 4.510 -0.126 1 1 224 . 1 1 1 A 29 29 HIS C C 242 173.519 175.707 -2.188 1 1 225 . 1 1 1 A 29 29 HIS CA C 242 59.174 58.297 0.877 1 1 226 . 1 1 1 A 29 29 HIS CB C 242 28.022 30.503 -2.481 1 1 227 . 1 1 1 A 29 29 HIS N N 242 125.634 126.284 -0.650 1 1 228 . 1 1 1 A 30 30 ASN H H 243 8.623 8.060 0.563 1 1 229 . 1 1 1 A 30 30 ASN HA H 243 4.148 4.652 -0.504 1 1 234 . 1 1 1 A 30 30 ASN C C 243 175.052 175.761 -0.709 1 1 235 . 1 1 1 A 30 30 ASN CA C 243 53.229 52.995 0.234 1 1 236 . 1 1 1 A 30 30 ASN CB C 243 38.980 38.644 0.336 1 1 237 . 1 1 1 A 30 30 ASN N N 243 119.059 117.715 1.344 1 1 239 . 1 1 1 A 31 31 PHE H H 244 8.676 8.504 0.172 1 1 240 . 1 1 1 A 31 31 PHE HA H 244 4.686 4.773 -0.087 1 1 243 . 1 1 1 A 31 31 PHE C C 244 174.399 176.817 -2.418 1 1 244 . 1 1 1 A 31 31 PHE CA C 244 57.688 57.034 0.654 1 1 245 . 1 1 1 A 31 31 PHE CB C 244 39.026 39.440 -0.414 1 1 246 . 1 1 1 A 31 31 PHE N N 244 124.091 122.738 1.353 1 1 247 . 1 1 1 A 32 32 ALA H H 245 8.244 7.443 0.801 1 1 248 . 1 1 1 A 32 32 ALA HA H 245 3.869 3.730 0.139 1 1 252 . 1 1 1 A 32 32 ALA C C 245 180.452 178.880 1.572 1 1 253 . 1 1 1 A 32 32 ALA CA C 245 56.274 55.285 0.989 1 1 254 . 1 1 1 A 32 32 ALA CB C 245 18.181 18.668 -0.487 1 1 255 . 1 1 1 A 32 32 ALA N N 245 122.713 124.107 -1.394 1 1 256 . 1 1 1 A 33 33 LYS H H 246 8.964 8.534 0.430 1 1 257 . 1 1 1 A 33 33 LYS HA H 246 4.089 4.530 -0.441 1 1 266 . 1 1 1 A 33 33 LYS C C 246 177.441 177.179 0.262 1 1 267 . 1 1 1 A 33 33 LYS CA C 246 58.632 56.046 2.586 1 1 268 . 1 1 1 A 33 33 LYS CB C 246 30.418 32.606 -2.188 1 1 272 . 1 1 1 A 33 33 LYS N N 246 116.888 115.219 1.669 1 1 273 . 1 1 1 A 34 34 ALA H H 247 7.088 7.815 -0.727 1 1 274 . 1 1 1 A 34 34 ALA HA H 247 3.752 4.515 -0.763 1 1 278 . 1 1 1 A 34 34 ALA C C 247 177.581 179.372 -1.791 1 1 279 . 1 1 1 A 34 34 ALA CA C 247 55.502 52.670 2.832 1 1 280 . 1 1 1 A 34 34 ALA CB C 247 18.099 20.514 -2.415 1 1 281 . 1 1 1 A 34 34 ALA N N 247 122.047 121.710 0.337 1 1 282 . 1 1 1 A 35 35 ARG H H 248 7.706 8.500 -0.794 1 1 283 . 1 1 1 A 35 35 ARG HA H 248 4.338 4.396 -0.058 1 1 292 . 1 1 1 A 35 35 ARG C C 248 179.094 178.527 0.567 1 1 293 . 1 1 1 A 35 35 ARG CA C 248 56.283 59.116 -2.833 1 1 294 . 1 1 1 A 35 35 ARG CB C 248 30.668 29.978 0.690 1 1 297 . 1 1 1 A 35 35 ARG N N 248 112.008 118.465 -6.457 1 1 299 . 1 1 1 A 36 36 GLU H H 249 7.707 7.865 -0.158 1 1 300 . 1 1 1 A 36 36 GLU HA H 249 4.121 4.175 -0.054 1 1 305 . 1 1 1 A 36 36 GLU C C 249 178.205 179.188 -0.983 1 1 306 . 1 1 1 A 36 36 GLU CA C 249 58.194 58.818 -0.624 1 1 307 . 1 1 1 A 36 36 GLU CB C 249 30.596 30.174 0.422 1 1 309 . 1 1 1 A 36 36 GLU N N 249 116.945 119.870 -2.925 1 1 310 . 1 1 1 A 37 37 LYS H H 250 7.954 8.264 -0.310 1 1 311 . 1 1 1 A 37 37 LYS HA H 250 4.381 4.164 0.217 1 1 320 . 1 1 1 A 37 37 LYS C C 250 176.772 176.542 0.230 1 1 321 . 1 1 1 A 37 37 LYS CA C 250 57.323 59.005 -1.682 1 1 322 . 1 1 1 A 37 37 LYS CB C 250 34.892 32.638 2.254 1 1 326 . 1 1 1 A 37 37 LYS N N 250 114.798 120.143 -5.345 1 1 327 . 1 1 1 A 38 38 VAL H H 251 8.298 8.339 -0.041 1 1 328 . 1 1 1 A 38 38 VAL HA H 251 4.582 4.706 -0.124 1 1 336 . 1 1 1 A 38 38 VAL C C 251 174.903 174.322 0.581 1 1 337 . 1 1 1 A 38 38 VAL CA C 251 60.316 58.978 1.338 1 1 338 . 1 1 1 A 38 38 VAL CB C 251 32.374 32.107 0.267 1 1 341 . 1 1 1 A 38 38 VAL N N 251 120.907 119.780 1.127 1 1 342 . 1 1 1 A 40 40 LYS H H 253 8.588 8.327 0.261 1 1 343 . 1 1 1 A 40 40 LYS HA H 253 4.275 4.021 0.254 1 1 352 . 1 1 1 A 40 40 LYS C C 253 176.447 177.567 -1.120 1 1 353 . 1 1 1 A 40 40 LYS CA C 253 58.550 58.056 0.494 1 1 354 . 1 1 1 A 40 40 LYS CB C 253 31.568 32.125 -0.557 1 1 358 . 1 1 1 A 40 40 LYS N N 253 113.861 117.194 -3.333 1 1 359 . 1 1 1 A 41 41 LEU H H 254 7.948 7.733 0.215 1 1 360 . 1 1 1 A 41 41 LEU HA H 254 4.391 4.152 0.239 1 1 370 . 1 1 1 A 41 41 LEU C C 254 175.989 177.453 -1.464 1 1 371 . 1 1 1 A 41 41 LEU CA C 254 53.279 55.076 -1.797 1 1 372 . 1 1 1 A 41 41 LEU CB C 254 40.369 42.407 -2.038 1 1 376 . 1 1 1 A 41 41 LEU N N 254 118.998 117.404 1.594 1 1 377 . 1 1 1 A 42 42 HIS H H 255 7.167 7.532 -0.365 1 1 378 . 1 1 1 A 42 42 HIS HA H 255 4.376 4.104 0.272 1 1 382 . 1 1 1 A 42 42 HIS C C 255 174.836 175.510 -0.674 1 1 383 . 1 1 1 A 42 42 HIS CA C 255 59.188 55.580 3.608 1 1 384 . 1 1 1 A 42 42 HIS CB C 255 30.311 30.675 -0.364 1 1 386 . 1 1 1 A 42 42 HIS N N 255 116.251 115.749 0.502 1 1 387 . 1 1 1 A 43 43 SER H H 256 7.735 7.785 -0.050 1 1 388 . 1 1 1 A 43 43 SER HA H 256 4.490 4.499 -0.009 1 1 391 . 1 1 1 A 43 43 SER C C 256 174.045 173.804 0.241 1 1 392 . 1 1 1 A 43 43 SER CA C 256 56.420 57.322 -0.902 1 1 393 . 1 1 1 A 43 43 SER CB C 256 64.093 63.572 0.521 1 1 394 . 1 1 1 A 43 43 SER N N 256 110.725 113.971 -3.246 1 1 395 . 1 1 1 A 44 44 ILE H H 257 7.403 7.191 0.212 1 1 396 . 1 1 1 A 44 44 ILE HA H 257 3.806 4.177 -0.371 1 1 406 . 1 1 1 A 44 44 ILE C C 257 174.321 175.368 -1.047 1 1 407 . 1 1 1 A 44 44 ILE CA C 257 61.640 60.091 1.549 1 1 408 . 1 1 1 A 44 44 ILE CB C 257 38.324 39.851 -1.527 1 1 412 . 1 1 1 A 44 44 ILE N N 257 124.717 119.489 5.228 1 1 413 . 1 1 1 A 45 45 ARG H H 258 8.043 8.714 -0.671 1 1 414 . 1 1 1 A 45 45 ARG HA H 258 4.201 4.630 -0.429 1 1 421 . 1 1 1 A 45 45 ARG C C 258 177.535 176.218 1.317 1 1 422 . 1 1 1 A 45 45 ARG CA C 258 55.412 54.999 0.413 1 1 423 . 1 1 1 A 45 45 ARG CB C 258 31.546 30.358 1.188 1 1 426 . 1 1 1 A 45 45 ARG N N 258 124.319 122.746 1.573 1 1 427 . 1 1 1 A 46 46 ASP H H 259 8.584 8.829 -0.245 1 1 428 . 1 1 1 A 46 46 ASP HA H 259 5.096 4.484 0.612 1 1 431 . 1 1 1 A 46 46 ASP C C 259 177.819 178.081 -0.262 1 1 432 . 1 1 1 A 46 46 ASP CA C 259 55.248 56.945 -1.697 1 1 433 . 1 1 1 A 46 46 ASP CB C 259 39.614 40.844 -1.230 1 1 434 . 1 1 1 A 46 46 ASP N N 259 120.371 125.446 -5.075 1 1 435 . 1 1 1 A 47 47 ARG H H 260 8.632 7.862 0.770 1 1 442 . 1 1 1 A 47 47 ARG CA C 260 56.228 58.825 -2.597 1 1 443 . 1 1 1 A 47 47 ARG CB C 260 26.981 30.414 -3.433 1 1 445 . 1 1 1 A 47 47 ARG N N 260 123.120 120.335 2.785 1 1 447 . 1 1 1 A 51 51 HIS HA H 264 4.293 4.575 -0.282 1 1 451 . 1 1 1 A 51 51 HIS C C 264 178.002 175.970 2.032 1 1 452 . 1 1 1 A 51 51 HIS CA C 264 60.062 56.778 3.284 1 1 453 . 1 1 1 A 51 51 HIS CB C 264 29.109 30.386 -1.277 1 1 455 . 1 1 1 A 52 52 LEU H H 265 7.474 7.879 -0.405 1 1 456 . 1 1 1 A 52 52 LEU HA H 265 4.125 3.961 0.164 1 1 466 . 1 1 1 A 52 52 LEU C C 265 180.623 178.793 1.830 1 1 467 . 1 1 1 A 52 52 LEU CA C 265 56.921 58.316 -1.395 1 1 468 . 1 1 1 A 52 52 LEU CB C 265 40.572 41.631 -1.059 1 1 472 . 1 1 1 A 52 52 LEU N N 265 122.692 121.792 0.900 1 1 473 . 1 1 1 A 53 53 ASP H H 266 6.993 8.265 -1.272 1 1 474 . 1 1 1 A 53 53 ASP C C 266 176.536 177.614 -1.078 1 1 475 . 1 1 1 A 53 53 ASP CA C 266 56.718 56.648 0.070 1 1 476 . 1 1 1 A 53 53 ASP CB C 266 39.787 40.871 -1.084 1 1 477 . 1 1 1 A 53 53 ASP N N 266 122.192 118.843 3.349 1 1 478 . 1 1 1 A 54 54 ALA H H 267 8.217 7.852 0.365 1 1 479 . 1 1 1 A 54 54 ALA HA H 267 3.840 4.345 -0.505 1 1 483 . 1 1 1 A 54 54 ALA C C 267 180.507 179.931 0.576 1 1 484 . 1 1 1 A 54 54 ALA CA C 267 55.836 53.973 1.863 1 1 485 . 1 1 1 A 54 54 ALA CB C 267 17.386 19.217 -1.831 1 1 486 . 1 1 1 A 54 54 ALA N N 267 121.612 121.725 -0.113 1 1 487 . 1 1 1 A 55 55 GLY H H 268 8.481 8.497 -0.016 1 1 488 . 1 1 1 A 55 55 GLY C C 268 174.929 176.225 -1.296 1 1 489 . 1 1 1 A 55 55 GLY CA C 268 46.546 46.891 -0.345 1 1 490 . 1 1 1 A 55 55 GLY N N 268 107.453 105.819 1.634 1 1 491 . 1 1 1 A 56 56 ALA H H 269 7.759 8.381 -0.622 1 1 492 . 1 1 1 A 56 56 ALA HA H 269 4.190 4.028 0.162 1 1 496 . 1 1 1 A 56 56 ALA C C 269 180.493 180.020 0.473 1 1 497 . 1 1 1 A 56 56 ALA CA C 269 55.311 54.507 0.804 1 1 498 . 1 1 1 A 56 56 ALA CB C 269 17.951 18.491 -0.540 1 1 499 . 1 1 1 A 56 56 ALA N N 269 125.518 124.896 0.622 1 1 500 . 1 1 1 A 57 57 LEU H H 270 8.224 8.146 0.078 1 1 501 . 1 1 1 A 57 57 LEU HA H 270 3.840 4.092 -0.252 1 1 506 . 1 1 1 A 57 57 LEU C C 270 177.499 179.229 -1.730 1 1 507 . 1 1 1 A 57 57 LEU CA C 270 58.315 57.892 0.423 1 1 508 . 1 1 1 A 57 57 LEU CB C 270 43.182 41.581 1.601 1 1 511 . 1 1 1 A 57 57 LEU N N 270 121.610 120.140 1.470 1 1 512 . 1 1 1 A 58 58 THR H H 271 7.976 8.239 -0.263 1 1 513 . 1 1 1 A 58 58 THR HA H 271 4.432 4.016 0.416 1 1 518 . 1 1 1 A 58 58 THR C C 271 174.457 176.074 -1.617 1 1 519 . 1 1 1 A 58 58 THR CA C 271 68.788 66.689 2.099 1 1 520 . 1 1 1 A 58 58 THR CB C 271 67.557 68.493 -0.936 1 1 522 . 1 1 1 A 58 58 THR N N 271 115.528 115.700 -0.172 1 1 523 . 1 1 1 A 59 59 THR H H 272 8.085 8.847 -0.762 1 1 524 . 1 1 1 A 59 59 THR HA H 272 3.911 3.982 -0.071 1 1 529 . 1 1 1 A 59 59 THR C C 272 176.131 176.851 -0.720 1 1 530 . 1 1 1 A 59 59 THR CA C 272 65.908 65.261 0.647 1 1 531 . 1 1 1 A 59 59 THR CB C 272 69.045 68.838 0.207 1 1 533 . 1 1 1 A 59 59 THR N N 272 114.864 114.253 0.611 1 1 534 . 1 1 1 A 60 60 THR H H 273 7.875 7.990 -0.115 1 1 535 . 1 1 1 A 60 60 THR HA H 273 3.423 3.702 -0.279 1 1 540 . 1 1 1 A 60 60 THR C C 273 175.166 175.578 -0.412 1 1 541 . 1 1 1 A 60 60 THR CA C 273 67.291 66.576 0.715 1 1 542 . 1 1 1 A 60 60 THR CB C 273 68.824 68.353 0.471 1 1 544 . 1 1 1 A 60 60 THR N N 273 116.718 117.421 -0.703 1 1 545 . 1 1 1 A 61 61 PHE H H 274 8.219 7.725 0.494 1 1 546 . 1 1 1 A 61 61 PHE HA H 274 4.213 4.247 -0.034 1 1 552 . 1 1 1 A 61 61 PHE C C 274 178.034 177.875 0.159 1 1 553 . 1 1 1 A 61 61 PHE CA C 274 63.308 61.159 2.149 1 1 554 . 1 1 1 A 61 61 PHE CB C 274 37.080 39.381 -2.301 1 1 558 . 1 1 1 A 61 61 PHE N N 274 114.721 117.857 -3.136 1 1 559 . 1 1 1 A 62 62 GLU H H 275 8.810 8.726 0.084 1 1 560 . 1 1 1 A 62 62 GLU HA H 275 4.416 3.909 0.507 1 1 565 . 1 1 1 A 62 62 GLU C C 275 181.232 178.776 2.456 1 1 566 . 1 1 1 A 62 62 GLU CA C 275 60.190 59.597 0.593 1 1 567 . 1 1 1 A 62 62 GLU CB C 275 28.990 28.891 0.099 1 1 569 . 1 1 1 A 62 62 GLU N N 275 123.787 120.180 3.607 1 1 570 . 1 1 1 A 63 63 GLU H H 276 7.698 8.573 -0.875 1 1 571 . 1 1 1 A 63 63 GLU HA H 276 3.871 3.916 -0.045 1 1 575 . 1 1 1 A 63 63 GLU C C 276 176.721 177.317 -0.596 1 1 576 . 1 1 1 A 63 63 GLU CA C 276 58.821 58.662 0.159 1 1 577 . 1 1 1 A 63 63 GLU CB C 276 29.251 28.369 0.882 1 1 579 . 1 1 1 A 63 63 GLU N N 276 120.707 118.182 2.525 1 1 580 . 1 1 1 A 64 64 LEU H H 277 6.708 7.639 -0.931 1 1 581 . 1 1 1 A 64 64 LEU HA H 277 4.148 4.290 -0.142 1 1 589 . 1 1 1 A 64 64 LEU C C 277 174.571 176.240 -1.669 1 1 590 . 1 1 1 A 64 64 LEU CA C 277 54.060 54.986 -0.926 1 1 594 . 1 1 1 A 64 64 LEU N N 277 115.451 118.635 -3.184 1 1 595 . 1 1 1 A 65 65 HIS H H 278 7.388 8.062 -0.674 1 1 596 . 1 1 1 A 65 65 HIS HA H 278 4.259 4.212 0.047 1 1 599 . 1 1 1 A 65 65 HIS C C 278 174.571 174.415 0.156 1 1 600 . 1 1 1 A 65 65 HIS CA C 278 57.737 57.339 0.398 1 1 601 . 1 1 1 A 65 65 HIS CB C 278 26.020 26.683 -0.663 1 1 602 . 1 1 1 A 65 65 HIS N N 278 107.287 115.607 -8.320 1 1 603 . 1 1 1 A 66 66 PHE H H 279 8.554 8.250 0.304 1 1 604 . 1 1 1 A 66 66 PHE HA H 279 4.462 4.527 -0.065 1 1 610 . 1 1 1 A 66 66 PHE C C 279 174.258 175.774 -1.516 1 1 611 . 1 1 1 A 66 66 PHE CA C 279 58.032 57.899 0.133 1 1 612 . 1 1 1 A 66 66 PHE CB C 279 39.809 39.767 0.042 1 1 616 . 1 1 1 A 66 66 PHE N N 279 117.992 118.643 -0.651 1 1 617 . 1 1 1 A 67 67 GLU H H 280 8.403 8.724 -0.321 1 1 618 . 1 1 1 A 67 67 GLU HA H 280 4.631 4.534 0.097 1 1 621 . 1 1 1 A 67 67 GLU C C 280 174.640 174.924 -0.284 1 1 622 . 1 1 1 A 67 67 GLU CA C 280 55.467 56.014 -0.547 1 1 623 . 1 1 1 A 67 67 GLU CB C 280 30.671 29.916 0.755 1 1 625 . 1 1 1 A 67 67 GLU N N 280 120.980 120.800 0.180 1 1 626 . 1 1 1 A 68 68 ILE H H 281 8.988 9.140 -0.152 1 1 627 . 1 1 1 A 68 68 ILE HA H 281 4.491 4.741 -0.250 1 1 636 . 1 1 1 A 68 68 ILE C C 281 176.177 174.547 1.630 1 1 637 . 1 1 1 A 68 68 ILE CA C 281 59.688 59.757 -0.069 1 1 638 . 1 1 1 A 68 68 ILE CB C 281 35.090 40.614 -5.524 1 1 642 . 1 1 1 A 68 68 ILE N N 281 127.994 126.115 1.879 1 1 643 . 1 1 1 A 69 69 LYS H H 282 8.559 8.866 -0.307 1 1 644 . 1 1 1 A 69 69 LYS HA H 282 4.981 4.865 0.116 1 1 645 . 1 1 1 A 69 69 LYS CA C 282 50.465 53.346 -2.881 1 1 646 . 1 1 1 A 69 69 LYS CB C 282 32.762 33.341 -0.579 1 1 649 . 1 1 1 A 69 69 LYS N N 282 126.350 126.658 -0.308 1 1 650 . 1 1 1 A 70 70 PRO HA H 283 5.133 4.834 0.299 1 1 651 . 1 1 1 A 70 70 PRO C C 283 176.378 175.811 0.567 1 1 652 . 1 1 1 A 70 70 PRO CA C 283 62.027 62.684 -0.657 1 1 653 . 1 1 1 A 70 70 PRO CB C 283 32.856 31.873 0.983 1 1 655 . 1 1 1 A 71 71 HIS H H 284 8.967 8.956 0.011 1 1 656 . 1 1 1 A 71 71 HIS HA H 284 4.465 4.846 -0.381 1 1 660 . 1 1 1 A 71 71 HIS C C 284 172.714 175.109 -2.395 1 1 661 . 1 1 1 A 71 71 HIS CA C 284 55.994 55.127 0.867 1 1 662 . 1 1 1 A 71 71 HIS CB C 284 33.678 31.647 2.031 1 1 664 . 1 1 1 A 71 71 HIS N N 284 121.708 122.901 -1.193 1 1 665 . 1 1 1 A 72 72 ASP H H 285 8.625 8.665 -0.040 1 1 666 . 1 1 1 A 72 72 ASP HA H 285 5.695 4.630 1.065 1 1 669 . 1 1 1 A 72 72 ASP C C 285 175.881 175.184 0.697 1 1 670 . 1 1 1 A 72 72 ASP CA C 285 53.201 53.748 -0.547 1 1 671 . 1 1 1 A 72 72 ASP CB C 285 43.758 41.966 1.792 1 1 672 . 1 1 1 A 72 72 ASP N N 285 122.941 122.459 0.482 1 1 673 . 1 1 1 A 73 73 ASP H H 286 9.212 8.617 0.595 1 1 674 . 1 1 1 A 73 73 ASP HA H 286 4.263 4.656 -0.393 1 1 676 . 1 1 1 A 73 73 ASP C C 286 174.368 176.006 -1.638 1 1 677 . 1 1 1 A 73 73 ASP CA C 286 56.488 54.215 2.273 1 1 678 . 1 1 1 A 73 73 ASP CB C 286 39.083 40.060 -0.977 1 1 679 . 1 1 1 A 73 73 ASP N N 286 119.175 120.764 -1.589 1 1 680 . 1 1 1 A 74 74 CYS H H 287 8.750 8.547 0.203 1 1 681 . 1 1 1 A 74 74 CYS HA H 287 4.854 5.277 -0.423 1 1 684 . 1 1 1 A 74 74 CYS C C 287 176.146 174.698 1.448 1 1 685 . 1 1 1 A 74 74 CYS CA C 287 58.552 57.721 0.831 1 1 686 . 1 1 1 A 74 74 CYS CB C 287 53.204 29.692 23.512 1 1 687 . 1 1 1 A 74 74 CYS N N 287 119.631 124.169 -4.538 1 1 688 . 1 1 1 A 75 75 THR H H 288 8.535 8.743 -0.208 1 1 689 . 1 1 1 A 75 75 THR HA H 288 4.163 4.504 -0.341 1 1 694 . 1 1 1 A 75 75 THR C C 288 174.663 175.538 -0.875 1 1 695 . 1 1 1 A 75 75 THR CA C 288 61.353 61.525 -0.172 1 1 696 . 1 1 1 A 75 75 THR CB C 288 70.100 70.836 -0.736 1 1 698 . 1 1 1 A 75 75 THR N N 288 115.998 119.094 -3.096 1 1 699 . 1 1 1 A 76 76 VAL H H 289 8.083 8.734 -0.651 1 1 700 . 1 1 1 A 76 76 VAL HA H 289 3.414 3.872 -0.458 1 1 708 . 1 1 1 A 76 76 VAL C C 289 176.443 177.194 -0.751 1 1 709 . 1 1 1 A 76 76 VAL CA C 289 69.066 65.360 3.706 1 1 710 . 1 1 1 A 76 76 VAL CB C 289 30.361 31.577 -1.216 1 1 713 . 1 1 1 A 76 76 VAL N N 289 120.599 122.133 -1.534 1 1 714 . 1 1 1 A 77 77 GLU H H 290 9.095 8.217 0.878 1 1 715 . 1 1 1 A 77 77 GLU HA H 290 4.027 3.716 0.311 1 1 720 . 1 1 1 A 77 77 GLU C C 290 179.172 178.448 0.724 1 1 721 . 1 1 1 A 77 77 GLU CA C 290 59.831 59.349 0.482 1 1 722 . 1 1 1 A 77 77 GLU CB C 290 29.493 29.055 0.438 1 1 724 . 1 1 1 A 77 77 GLU N N 290 119.191 121.056 -1.865 1 1 725 . 1 1 1 A 78 78 GLN H H 291 7.523 7.725 -0.202 1 1 726 . 1 1 1 A 78 78 GLN HA H 291 4.079 4.167 -0.088 1 1 731 . 1 1 1 A 78 78 GLN C C 291 177.815 178.721 -0.906 1 1 732 . 1 1 1 A 78 78 GLN CA C 291 58.920 58.369 0.551 1 1 734 . 1 1 1 A 78 78 GLN N N 291 117.101 118.614 -1.513 1 1 735 . 1 1 1 A 79 79 ILE H H 292 8.368 7.881 0.487 1 1 736 . 1 1 1 A 79 79 ILE HA H 292 3.427 3.754 -0.327 1 1 746 . 1 1 1 A 79 79 ILE C C 292 177.133 178.272 -1.139 1 1 747 . 1 1 1 A 79 79 ILE CA C 292 67.132 64.764 2.368 1 1 748 . 1 1 1 A 79 79 ILE CB C 292 37.163 37.081 0.082 1 1 752 . 1 1 1 A 79 79 ILE N N 292 120.006 120.854 -0.848 1 1 753 . 1 1 1 A 80 80 TYR H H 293 8.302 7.768 0.534 1 1 754 . 1 1 1 A 80 80 TYR HA H 293 4.179 4.411 -0.232 1 1 759 . 1 1 1 A 80 80 TYR C C 293 178.907 178.275 0.632 1 1 760 . 1 1 1 A 80 80 TYR CA C 293 61.737 60.508 1.229 1 1 761 . 1 1 1 A 80 80 TYR CB C 293 37.201 37.886 -0.685 1 1 764 . 1 1 1 A 80 80 TYR N N 293 116.291 120.644 -4.353 1 1 765 . 1 1 1 A 81 81 GLU H H 294 8.170 8.713 -0.543 1 1 766 . 1 1 1 A 81 81 GLU HA H 294 4.036 4.237 -0.201 1 1 771 . 1 1 1 A 81 81 GLU C C 294 178.414 177.241 1.173 1 1 772 . 1 1 1 A 81 81 GLU CA C 294 59.768 58.365 1.403 1 1 773 . 1 1 1 A 81 81 GLU CB C 294 29.489 29.279 0.210 1 1 775 . 1 1 1 A 81 81 GLU N N 294 120.325 119.613 0.712 1 1 776 . 1 1 1 A 82 82 ILE H H 295 8.501 7.647 0.854 1 1 777 . 1 1 1 A 82 82 ILE HA H 295 3.675 3.853 -0.178 1 1 787 . 1 1 1 A 82 82 ILE C C 295 177.751 178.095 -0.344 1 1 788 . 1 1 1 A 82 82 ILE CA C 295 65.288 63.282 2.006 1 1 789 . 1 1 1 A 82 82 ILE CB C 295 38.497 37.788 0.709 1 1 793 . 1 1 1 A 82 82 ILE N N 295 120.434 118.318 2.116 1 1 794 . 1 1 1 A 83 83 LEU H H 296 8.508 7.697 0.811 1 1 795 . 1 1 1 A 83 83 LEU HA H 296 4.289 3.935 0.354 1 1 805 . 1 1 1 A 83 83 LEU C C 296 178.393 178.814 -0.421 1 1 806 . 1 1 1 A 83 83 LEU CA C 296 58.937 57.933 1.004 1 1 807 . 1 1 1 A 83 83 LEU CB C 296 39.626 41.314 -1.688 1 1 811 . 1 1 1 A 83 83 LEU N N 296 116.807 122.126 -5.319 1 1 812 . 1 1 1 A 84 84 LYS H H 297 8.048 7.728 0.320 1 1 813 . 1 1 1 A 84 84 LYS HA H 297 3.967 4.036 -0.069 1 1 820 . 1 1 1 A 84 84 LYS C C 297 177.773 178.735 -0.962 1 1 821 . 1 1 1 A 84 84 LYS CA C 297 58.890 58.977 -0.087 1 1 822 . 1 1 1 A 84 84 LYS CB C 297 31.169 31.807 -0.638 1 1 826 . 1 1 1 A 84 84 LYS N N 297 118.687 117.721 0.966 1 1 827 . 1 1 1 A 85 85 ILE H H 298 7.694 7.524 0.170 1 1 828 . 1 1 1 A 85 85 ILE HA H 298 3.456 3.611 -0.155 1 1 838 . 1 1 1 A 85 85 ILE C C 298 179.100 177.806 1.294 1 1 839 . 1 1 1 A 85 85 ILE CA C 298 65.307 65.027 0.280 1 1 840 . 1 1 1 A 85 85 ILE CB C 298 36.965 37.579 -0.614 1 1 844 . 1 1 1 A 85 85 ILE N N 298 118.157 120.934 -2.777 1 1 845 . 1 1 1 A 86 86 TYR H H 299 7.613 7.176 0.437 1 1 846 . 1 1 1 A 86 86 TYR HA H 299 4.103 4.319 -0.216 1 1 851 . 1 1 1 A 86 86 TYR C C 299 177.425 178.159 -0.734 1 1 852 . 1 1 1 A 86 86 TYR CA C 299 63.129 60.510 2.619 1 1 853 . 1 1 1 A 86 86 TYR CB C 299 38.745 37.626 1.119 1 1 856 . 1 1 1 A 86 86 TYR N N 299 115.499 120.056 -4.557 1 1 857 . 1 1 1 A 87 87 GLN H H 300 9.112 8.053 1.059 1 1 858 . 1 1 1 A 87 87 GLN HA H 300 3.977 4.071 -0.094 1 1 861 . 1 1 1 A 87 87 GLN C C 300 176.380 178.433 -2.053 1 1 862 . 1 1 1 A 87 87 GLN CA C 300 58.976 58.412 0.564 1 1 863 . 1 1 1 A 87 87 GLN CB C 300 28.819 28.541 0.278 1 1 865 . 1 1 1 A 87 87 GLN N N 300 125.039 120.431 4.608 1 1 866 . 1 1 1 A 88 88 LEU H H 301 7.536 8.095 -0.559 1 1 867 . 1 1 1 A 88 88 LEU HA H 301 4.309 4.028 0.281 1 1 877 . 1 1 1 A 88 88 LEU C C 301 177.129 180.025 -2.896 1 1 878 . 1 1 1 A 88 88 LEU CA C 301 55.142 57.703 -2.561 1 1 879 . 1 1 1 A 88 88 LEU CB C 301 41.809 41.297 0.512 1 1 883 . 1 1 1 A 88 88 LEU N N 301 115.623 119.844 -4.221 1 1 884 . 1 1 1 A 89 89 MET H H 302 7.025 7.884 -0.859 1 1 885 . 1 1 1 A 89 89 MET HA H 302 4.031 3.880 0.151 1 1 893 . 1 1 1 A 89 89 MET C C 302 172.664 175.985 -3.321 1 1 894 . 1 1 1 A 89 89 MET CA C 302 55.513 59.035 -3.522 1 1 895 . 1 1 1 A 89 89 MET CB C 302 33.748 32.691 1.057 1 1 898 . 1 1 1 A 89 89 MET N N 302 120.789 118.411 2.378 1 1 899 . 1 1 1 A 90 90 ASP H H 303 8.056 8.055 0.001 1 1 900 . 1 1 1 A 90 90 ASP HA H 303 4.746 4.265 0.481 1 1 903 . 1 1 1 A 90 90 ASP C C 303 177.139 175.086 2.053 1 1 904 . 1 1 1 A 90 90 ASP CA C 303 54.411 54.689 -0.278 1 1 905 . 1 1 1 A 90 90 ASP CB C 303 40.987 39.303 1.684 1 1 906 . 1 1 1 A 90 90 ASP N N 303 117.873 119.243 -1.370 1 1 907 . 1 1 1 A 91 91 HIS H H 304 9.371 7.818 1.553 1 1 908 . 1 1 1 A 91 91 HIS HA H 304 4.657 4.416 0.241 1 1 912 . 1 1 1 A 91 91 HIS C C 304 177.332 175.753 1.579 1 1 913 . 1 1 1 A 91 91 HIS CA C 304 56.031 57.242 -1.211 1 1 914 . 1 1 1 A 91 91 HIS CB C 304 31.150 29.731 1.419 1 1 916 . 1 1 1 A 91 91 HIS N N 304 126.666 118.526 8.140 1 1 917 . 1 1 1 A 92 92 SER H H 305 8.952 9.112 -0.160 1 1 918 . 1 1 1 A 92 92 SER HA H 305 4.055 4.299 -0.244 1 1 921 . 1 1 1 A 92 92 SER CA C 305 63.687 61.117 2.570 1 1 922 . 1 1 1 A 92 92 SER CB C 305 62.694 63.146 -0.452 1 1 923 . 1 1 1 A 92 92 SER N N 305 118.610 120.845 -2.235 1 1 924 . 1 1 1 A 93 93 ASN H H 306 8.745 7.718 1.027 1 1 925 . 1 1 1 A 93 93 ASN HA H 306 4.803 4.801 0.002 1 1 928 . 1 1 1 A 93 93 ASN C C 306 173.428 176.406 -2.978 1 1 929 . 1 1 1 A 93 93 ASN CA C 306 53.018 54.670 -1.652 1 1 930 . 1 1 1 A 93 93 ASN CB C 306 38.033 39.705 -1.672 1 1 931 . 1 1 1 A 93 93 ASN N N 306 116.257 117.242 -0.985 1 1 932 . 1 1 1 A 94 94 MET H H 307 7.942 7.933 0.009 1 1 933 . 1 1 1 A 94 94 MET HA H 307 4.683 4.239 0.444 1 1 939 . 1 1 1 A 94 94 MET C C 307 174.640 176.571 -1.931 1 1 940 . 1 1 1 A 94 94 MET CA C 307 53.564 54.938 -1.374 1 1 941 . 1 1 1 A 94 94 MET CB C 307 33.988 32.818 1.170 1 1 944 . 1 1 1 A 94 94 MET N N 307 117.799 118.622 -0.823 1 1 945 . 1 1 1 A 95 95 ASP H H 308 8.276 8.966 -0.690 1 1 946 . 1 1 1 A 95 95 ASP HA H 308 5.172 4.866 0.306 1 1 949 . 1 1 1 A 95 95 ASP C C 308 176.264 175.357 0.907 1 1 950 . 1 1 1 A 95 95 ASP CA C 308 55.617 53.264 2.353 1 1 951 . 1 1 1 A 95 95 ASP CB C 308 45.114 41.219 3.895 1 1 952 . 1 1 1 A 95 95 ASP N N 308 119.567 118.678 0.889 1 1 953 . 1 1 1 A 96 96 CYS H H 309 8.215 7.711 0.504 1 1 954 . 1 1 1 A 96 96 CYS HA H 309 4.680 5.175 -0.495 1 1 957 . 1 1 1 A 96 96 CYS C C 309 170.157 172.978 -2.821 1 1 958 . 1 1 1 A 96 96 CYS CA C 309 57.203 57.212 -0.009 1 1 959 . 1 1 1 A 96 96 CYS CB C 309 52.974 30.350 22.624 1 1 960 . 1 1 1 A 96 96 CYS N N 309 118.264 116.997 1.267 1 1 961 . 1 1 1 A 97 97 PHE H H 310 8.108 9.008 -0.900 1 1 962 . 1 1 1 A 97 97 PHE HA H 310 5.071 5.039 0.032 1 1 967 . 1 1 1 A 97 97 PHE C C 310 171.279 173.076 -1.797 1 1 968 . 1 1 1 A 97 97 PHE CA C 310 57.910 58.038 -0.128 1 1 969 . 1 1 1 A 97 97 PHE CB C 310 44.724 42.373 2.351 1 1 972 . 1 1 1 A 97 97 PHE N N 310 125.767 123.175 2.592 1 1 973 . 1 1 1 A 98 98 ILE H H 311 7.647 7.278 0.369 1 1 974 . 1 1 1 A 98 98 ILE HA H 311 4.581 4.878 -0.297 1 1 984 . 1 1 1 A 98 98 ILE C C 311 172.012 174.721 -2.709 1 1 985 . 1 1 1 A 98 98 ILE CA C 311 58.312 60.193 -1.881 1 1 986 . 1 1 1 A 98 98 ILE CB C 311 39.964 41.383 -1.419 1 1 990 . 1 1 1 A 98 98 ILE N N 311 125.102 123.800 1.302 1 1 991 . 1 1 1 A 99 99 CYS H H 312 8.309 8.929 -0.620 1 1 992 . 1 1 1 A 99 99 CYS HA H 312 4.471 5.370 -0.899 1 1 993 . 1 1 1 A 99 99 CYS C C 312 171.965 172.734 -0.769 1 1 994 . 1 1 1 A 99 99 CYS CA C 312 56.347 57.037 -0.690 1 1 995 . 1 1 1 A 99 99 CYS CB C 312 51.093 28.867 22.226 1 1 996 . 1 1 1 A 99 99 CYS N N 312 124.548 124.706 -0.158 1 1 997 . 1 1 1 A 100 100 CYS H H 313 9.116 9.360 -0.244 1 1 998 . 1 1 1 A 100 100 CYS HA H 313 5.880 5.322 0.558 1 1 1001 . 1 1 1 A 100 100 CYS C C 313 173.635 173.375 0.260 1 1 1002 . 1 1 1 A 100 100 CYS CA C 313 55.906 57.176 -1.270 1 1 1003 . 1 1 1 A 100 100 CYS CB C 313 52.685 29.523 23.162 1 1 1004 . 1 1 1 A 100 100 CYS N N 313 127.015 125.175 1.840 1 1 1005 . 1 1 1 A 101 101 ILE H H 314 8.896 9.053 -0.157 1 1 1006 . 1 1 1 A 101 101 ILE HA H 314 4.737 4.572 0.165 1 1 1016 . 1 1 1 A 101 101 ILE C C 314 172.277 175.970 -3.693 1 1 1017 . 1 1 1 A 101 101 ILE CA C 314 60.937 60.577 0.360 1 1 1018 . 1 1 1 A 101 101 ILE CB C 314 40.848 39.716 1.132 1 1 1022 . 1 1 1 A 101 101 ILE N N 314 121.994 128.545 -6.551 1 1 1023 . 1 1 1 A 102 102 LEU H H 315 8.951 8.734 0.217 1 1 1024 . 1 1 1 A 102 102 LEU HA H 315 5.285 4.404 0.881 1 1 1029 . 1 1 1 A 102 102 LEU C C 315 174.789 177.006 -2.217 1 1 1030 . 1 1 1 A 102 102 LEU CA C 315 52.489 57.221 -4.732 1 1 1031 . 1 1 1 A 102 102 LEU CB C 315 40.041 42.770 -2.729 1 1 1034 . 1 1 1 A 102 102 LEU N N 315 127.404 128.985 -1.581 1 1 1035 . 1 1 1 A 103 103 SER H H 316 9.096 7.975 1.121 1 1 1036 . 1 1 1 A 103 103 SER HA H 316 4.680 4.588 0.092 1 1 1039 . 1 1 1 A 103 103 SER C C 316 174.555 173.465 1.090 1 1 1040 . 1 1 1 A 103 103 SER CA C 316 56.403 58.567 -2.164 1 1 1041 . 1 1 1 A 103 103 SER CB C 316 63.224 63.241 -0.017 1 1 1042 . 1 1 1 A 103 103 SER N N 316 113.273 115.152 -1.879 1 1 1043 . 1 1 1 A 104 104 HIS H H 317 7.515 8.860 -1.345 1 1 1044 . 1 1 1 A 104 104 HIS HA H 317 5.214 4.972 0.242 1 1 1048 . 1 1 1 A 104 104 HIS C C 317 175.667 175.321 0.346 1 1 1049 . 1 1 1 A 104 104 HIS CA C 317 56.371 54.644 1.727 1 1 1050 . 1 1 1 A 104 104 HIS CB C 317 34.676 32.833 1.843 1 1 1052 . 1 1 1 A 104 104 HIS N N 317 114.740 123.626 -8.886 1 1 1053 . 1 1 1 A 105 105 GLY H H 318 8.368 8.876 -0.508 1 1 1054 . 1 1 1 A 105 105 GLY C C 318 169.470 174.502 -5.032 1 1 1055 . 1 1 1 A 105 105 GLY CA C 318 45.558 44.605 0.953 1 1 1056 . 1 1 1 A 105 105 GLY N N 318 107.330 111.391 -4.061 1 1 1057 . 1 1 1 A 106 106 ASP H H 319 7.943 8.709 -0.766 1 1 1058 . 1 1 1 A 106 106 ASP HA H 319 4.622 4.795 -0.173 1 1 1061 . 1 1 1 A 106 106 ASP C C 319 175.179 175.620 -0.441 1 1 1062 . 1 1 1 A 106 106 ASP CA C 319 53.188 53.223 -0.035 1 1 1063 . 1 1 1 A 106 106 ASP CB C 319 43.555 40.718 2.837 1 1 1064 . 1 1 1 A 106 106 ASP N N 319 116.893 120.694 -3.801 1 1 1065 . 1 1 1 A 107 107 LYS H H 320 9.376 8.226 1.150 1 1 1066 . 1 1 1 A 107 107 LYS HA H 320 3.956 4.201 -0.245 1 1 1075 . 1 1 1 A 107 107 LYS C C 320 176.864 176.690 0.174 1 1 1076 . 1 1 1 A 107 107 LYS CA C 320 58.567 57.269 1.298 1 1 1077 . 1 1 1 A 107 107 LYS CB C 320 30.568 31.296 -0.728 1 1 1081 . 1 1 1 A 107 107 LYS N N 320 122.539 116.776 5.763 1 1 1082 . 1 1 1 A 108 108 GLY H H 321 9.025 8.463 0.562 1 1 1083 . 1 1 1 A 108 108 GLY C C 321 173.633 174.528 -0.895 1 1 1084 . 1 1 1 A 108 108 GLY CA C 321 45.491 44.992 0.499 1 1 1085 . 1 1 1 A 108 108 GLY N N 321 111.919 110.203 1.716 1 1 1086 . 1 1 1 A 109 109 ILE H H 322 8.157 7.784 0.373 1 1 1087 . 1 1 1 A 109 109 ILE HA H 322 4.994 4.213 0.781 1 1 1097 . 1 1 1 A 109 109 ILE C C 322 174.524 176.030 -1.506 1 1 1098 . 1 1 1 A 109 109 ILE CA C 322 59.009 60.835 -1.826 1 1 1099 . 1 1 1 A 109 109 ILE CB C 322 43.375 38.941 4.434 1 1 1103 . 1 1 1 A 109 109 ILE N N 322 116.465 118.738 -2.273 1 1 1104 . 1 1 1 A 110 110 ILE H H 323 8.443 8.537 -0.094 1 1 1105 . 1 1 1 A 110 110 ILE HA H 323 4.530 4.145 0.385 1 1 1115 . 1 1 1 A 110 110 ILE C C 323 174.337 175.445 -1.108 1 1 1116 . 1 1 1 A 110 110 ILE CA C 323 58.547 59.783 -1.236 1 1 1117 . 1 1 1 A 110 110 ILE CB C 323 41.604 39.344 2.260 1 1 1121 . 1 1 1 A 110 110 ILE N N 323 116.661 118.860 -2.199 1 1 1122 . 1 1 1 A 111 111 TYR H H 324 8.584 8.131 0.453 1 1 1123 . 1 1 1 A 111 111 TYR HA H 324 5.557 4.651 0.906 1 1 1128 . 1 1 1 A 111 111 TYR C C 324 178.528 175.233 3.295 1 1 1129 . 1 1 1 A 111 111 TYR CA C 324 56.571 57.660 -1.089 1 1 1130 . 1 1 1 A 111 111 TYR CB C 324 39.984 39.338 0.646 1 1 1133 . 1 1 1 A 111 111 TYR N N 324 119.472 121.980 -2.508 1 1 1134 . 1 1 1 A 112 112 GLY H H 325 8.522 8.714 -0.192 1 1 1135 . 1 1 1 A 112 112 GLY C C 325 174.755 174.151 0.604 1 1 1136 . 1 1 1 A 112 112 GLY CA C 325 43.145 45.097 -1.952 1 1 1137 . 1 1 1 A 112 112 GLY N N 325 107.078 107.476 -0.398 1 1 1138 . 1 1 1 A 113 113 THR H H 326 8.245 9.240 -0.995 1 1 1139 . 1 1 1 A 113 113 THR HA H 326 3.186 3.993 -0.807 1 1 1144 . 1 1 1 A 113 113 THR C C 326 173.264 175.874 -2.610 1 1 1145 . 1 1 1 A 113 113 THR CA C 326 64.857 65.628 -0.771 1 1 1146 . 1 1 1 A 113 113 THR CB C 326 66.749 69.126 -2.377 1 1 1148 . 1 1 1 A 113 113 THR N N 326 113.146 114.164 -1.018 1 1 1149 . 1 1 1 A 114 114 ASP H H 327 8.801 8.433 0.368 1 1 1150 . 1 1 1 A 114 114 ASP HA H 327 4.099 4.418 -0.319 1 1 1153 . 1 1 1 A 114 114 ASP C C 327 176.262 179.106 -2.844 1 1 1154 . 1 1 1 A 114 114 ASP CA C 327 52.768 56.700 -3.932 1 1 1155 . 1 1 1 A 114 114 ASP CB C 327 39.312 40.462 -1.150 1 1 1156 . 1 1 1 A 114 114 ASP N N 327 112.026 119.039 -7.013 1 1 1157 . 1 1 1 A 115 115 GLY H H 328 8.462 8.047 0.415 1 1 1158 . 1 1 1 A 115 115 GLY HA2 H 328 4.010 3.844 0.166 1 1 1159 . 1 1 1 A 115 115 GLY HA3 H 328 4.010 3.853 0.157 1 1 1160 . 1 1 1 A 115 115 GLY C C 328 171.918 174.386 -2.468 1 1 1161 . 1 1 1 A 115 115 GLY CA C 328 45.463 45.683 -0.220 1 1 1162 . 1 1 1 A 115 115 GLY N N 328 107.749 107.975 -0.226 1 1 1163 . 1 1 1 A 116 116 GLN H H 329 6.657 8.006 -1.349 1 1 1164 . 1 1 1 A 116 116 GLN HA H 329 4.441 4.801 -0.360 1 1 1170 . 1 1 1 A 116 116 GLN C C 329 174.196 175.141 -0.945 1 1 1171 . 1 1 1 A 116 116 GLN CA C 329 55.204 54.232 0.972 1 1 1172 . 1 1 1 A 116 116 GLN CB C 329 28.541 32.887 -4.346 1 1 1174 . 1 1 1 A 116 116 GLN N N 329 115.146 117.587 -2.441 1 1 1176 . 1 1 1 A 117 117 GLU H H 330 8.624 8.664 -0.040 1 1 1177 . 1 1 1 A 117 117 GLU HA H 330 4.733 4.786 -0.053 1 1 1178 . 1 1 1 A 117 117 GLU C C 330 175.357 175.758 -0.401 1 1 1179 . 1 1 1 A 117 117 GLU CA C 330 55.191 55.818 -0.627 1 1 1180 . 1 1 1 A 117 117 GLU CB C 330 32.586 30.564 2.022 1 1 1182 . 1 1 1 A 117 117 GLU N N 330 119.031 118.275 0.756 1 1 1183 . 1 1 1 A 118 118 ALA H H 331 8.995 7.712 1.283 1 1 1184 . 1 1 1 A 118 118 ALA HA H 331 5.165 4.794 0.371 1 1 1188 . 1 1 1 A 118 118 ALA C C 331 173.650 174.778 -1.128 1 1 1189 . 1 1 1 A 118 118 ALA CA C 331 48.343 49.879 -1.536 1 1 1190 . 1 1 1 A 118 118 ALA CB C 331 20.353 21.734 -1.381 1 1 1191 . 1 1 1 A 118 118 ALA N N 331 123.550 122.688 0.862 1 1 1192 . 1 1 1 A 119 119 PRO HA H 332 4.819 4.801 0.018 1 1 1193 . 1 1 1 A 119 119 PRO C C 332 177.819 177.493 0.326 1 1 1194 . 1 1 1 A 119 119 PRO CA C 332 62.007 62.368 -0.361 1 1 1195 . 1 1 1 A 119 119 PRO CB C 332 32.081 29.924 2.157 1 1 1197 . 1 1 1 A 120 120 ILE H H 333 8.574 8.455 0.119 1 1 1198 . 1 1 1 A 120 120 ILE HA H 333 3.278 3.926 -0.648 1 1 1206 . 1 1 1 A 120 120 ILE C C 333 177.316 177.211 0.105 1 1 1207 . 1 1 1 A 120 120 ILE CA C 333 66.025 64.135 1.890 1 1 1208 . 1 1 1 A 120 120 ILE CB C 333 37.991 37.700 0.291 1 1 1212 . 1 1 1 A 120 120 ILE N N 333 126.740 126.127 0.613 1 1 1213 . 1 1 1 A 121 121 TYR H H 334 9.192 8.045 1.147 1 1 1214 . 1 1 1 A 121 121 TYR HA H 334 3.942 4.212 -0.270 1 1 1219 . 1 1 1 A 121 121 TYR C C 334 177.847 178.364 -0.517 1 1 1220 . 1 1 1 A 121 121 TYR CA C 334 60.688 61.133 -0.445 1 1 1221 . 1 1 1 A 121 121 TYR CB C 334 38.803 37.723 1.080 1 1 1224 . 1 1 1 A 121 121 TYR N N 334 117.479 120.782 -3.303 1 1 1225 . 1 1 1 A 122 122 GLU H H 335 7.178 8.052 -0.874 1 1 1226 . 1 1 1 A 122 122 GLU HA H 335 3.751 4.215 -0.464 1 1 1228 . 1 1 1 A 122 122 GLU C C 335 176.427 179.083 -2.656 1 1 1229 . 1 1 1 A 122 122 GLU CA C 335 58.378 58.863 -0.485 1 1 1230 . 1 1 1 A 122 122 GLU CB C 335 29.477 29.912 -0.435 1 1 1232 . 1 1 1 A 122 122 GLU N N 335 115.885 120.653 -4.768 1 1 1233 . 1 1 1 A 123 123 LEU H H 336 7.440 8.095 -0.655 1 1 1234 . 1 1 1 A 123 123 LEU HA H 336 4.123 3.898 0.225 1 1 1244 . 1 1 1 A 123 123 LEU C C 336 177.925 179.484 -1.559 1 1 1245 . 1 1 1 A 123 123 LEU CA C 336 56.646 57.790 -1.144 1 1 1246 . 1 1 1 A 123 123 LEU CB C 336 40.661 41.711 -1.050 1 1 1250 . 1 1 1 A 123 123 LEU N N 336 115.934 120.672 -4.738 1 1 1251 . 1 1 1 A 124 124 THR H H 337 8.009 8.234 -0.225 1 1 1252 . 1 1 1 A 124 124 THR HA H 337 3.597 4.034 -0.437 1 1 1257 . 1 1 1 A 124 124 THR C C 337 177.568 175.988 1.580 1 1 1258 . 1 1 1 A 124 124 THR CA C 337 64.110 65.013 -0.903 1 1 1259 . 1 1 1 A 124 124 THR CB C 337 67.603 68.590 -0.987 1 1 1261 . 1 1 1 A 124 124 THR N N 337 107.827 110.231 -2.404 1 1 1262 . 1 1 1 A 125 125 SER H H 338 7.435 8.116 -0.681 1 1 1263 . 1 1 1 A 125 125 SER HA H 338 3.723 4.414 -0.691 1 1 1266 . 1 1 1 A 125 125 SER C C 338 174.040 174.960 -0.920 1 1 1267 . 1 1 1 A 125 125 SER CA C 338 60.514 59.878 0.636 1 1 1268 . 1 1 1 A 125 125 SER CB C 338 62.391 63.149 -0.758 1 1 1269 . 1 1 1 A 125 125 SER N N 338 112.670 117.152 -4.482 1 1 1270 . 1 1 1 A 126 126 GLN H H 339 7.071 7.301 -0.230 1 1 1271 . 1 1 1 A 126 126 GLN HA H 339 3.850 4.020 -0.170 1 1 1276 . 1 1 1 A 126 126 GLN C C 339 173.915 176.750 -2.835 1 1 1277 . 1 1 1 A 126 126 GLN CA C 339 56.106 56.909 -0.803 1 1 1278 . 1 1 1 A 126 126 GLN CB C 339 27.028 27.795 -0.767 1 1 1280 . 1 1 1 A 126 126 GLN N N 339 117.347 119.987 -2.640 1 1 1281 . 1 1 1 A 127 127 PHE H H 340 7.355 7.687 -0.332 1 1 1282 . 1 1 1 A 127 127 PHE HA H 340 4.515 4.755 -0.240 1 1 1285 . 1 1 1 A 127 127 PHE C C 340 175.241 175.786 -0.545 1 1 1286 . 1 1 1 A 127 127 PHE CA C 340 57.914 57.050 0.864 1 1 1287 . 1 1 1 A 127 127 PHE CB C 340 38.496 39.057 -0.561 1 1 1288 . 1 1 1 A 127 127 PHE N N 340 110.412 115.934 -5.522 1 1 1289 . 1 1 1 A 128 128 THR H H 341 6.785 7.027 -0.242 1 1 1290 . 1 1 1 A 128 128 THR HA H 341 4.294 4.303 -0.009 1 1 1295 . 1 1 1 A 128 128 THR C C 341 174.727 176.278 -1.551 1 1 1296 . 1 1 1 A 128 128 THR CA C 341 62.016 63.412 -1.396 1 1 1297 . 1 1 1 A 128 128 THR CB C 341 69.757 69.534 0.223 1 1 1299 . 1 1 1 A 128 128 THR N N 341 107.455 115.350 -7.895 1 1 1300 . 1 1 1 A 129 129 GLY H H 342 10.506 8.822 1.684 1 1 1301 . 1 1 1 A 129 129 GLY HA2 H 342 3.841 3.920 -0.079 1 1 1302 . 1 1 1 A 129 129 GLY HA3 H 342 3.648 3.924 -0.276 1 1 1303 . 1 1 1 A 129 129 GLY C C 342 175.631 174.651 0.980 1 1 1304 . 1 1 1 A 129 129 GLY CA C 342 47.056 46.592 0.464 1 1 1305 . 1 1 1 A 129 129 GLY N N 342 111.023 114.174 -3.151 1 1 1306 . 1 1 1 A 130 130 LEU H H 343 8.003 7.858 0.145 1 1 1307 . 1 1 1 A 130 130 LEU HA H 343 4.135 4.445 -0.310 1 1 1317 . 1 1 1 A 130 130 LEU C C 343 178.627 177.151 1.476 1 1 1318 . 1 1 1 A 130 130 LEU CA C 343 56.606 54.926 1.680 1 1 1319 . 1 1 1 A 130 130 LEU CB C 343 42.399 42.201 0.198 1 1 1323 . 1 1 1 A 130 130 LEU N N 343 116.983 119.338 -2.355 1 1 1324 . 1 1 1 A 131 131 LYS H H 344 6.961 7.969 -1.008 1 1 1325 . 1 1 1 A 131 131 LYS HA H 344 4.001 4.397 -0.396 1 1 1333 . 1 1 1 A 131 131 LYS C C 344 176.224 177.135 -0.911 1 1 1334 . 1 1 1 A 131 131 LYS CA C 344 57.534 56.881 0.653 1 1 1335 . 1 1 1 A 131 131 LYS CB C 344 33.404 34.835 -1.431 1 1 1339 . 1 1 1 A 131 131 LYS N N 344 116.907 116.153 0.754 1 1 1340 . 1 1 1 A 132 132 CYS H H 345 8.564 8.268 0.296 1 1 1341 . 1 1 1 A 132 132 CYS HA H 345 4.930 4.811 0.119 1 1 1344 . 1 1 1 A 132 132 CYS C C 345 172.261 172.493 -0.232 1 1 1345 . 1 1 1 A 132 132 CYS CA C 345 56.566 56.983 -0.417 1 1 1346 . 1 1 1 A 132 132 CYS CB C 345 49.011 27.956 21.055 1 1 1347 . 1 1 1 A 132 132 CYS N N 345 117.718 115.885 1.833 1 1 1348 . 1 1 1 A 133 133 PRO HA H 346 4.719 4.693 0.026 1 1 1354 . 1 1 1 A 133 133 PRO C C 346 179.500 176.588 2.912 1 1 1355 . 1 1 1 A 133 133 PRO CA C 346 62.681 62.273 0.408 1 1 1356 . 1 1 1 A 133 133 PRO CB C 346 34.366 29.322 5.044 1 1 1359 . 1 1 1 A 134 134 SER H H 347 8.896 8.952 -0.056 1 1 1360 . 1 1 1 A 134 134 SER HA H 347 4.415 4.695 -0.280 1 1 1363 . 1 1 1 A 134 134 SER C C 347 174.434 176.008 -1.574 1 1 1364 . 1 1 1 A 134 134 SER CA C 347 60.509 59.601 0.908 1 1 1365 . 1 1 1 A 134 134 SER CB C 347 62.207 64.804 -2.597 1 1 1366 . 1 1 1 A 134 134 SER N N 347 112.882 120.477 -7.595 1 1 1367 . 1 1 1 A 135 135 LEU H H 348 7.549 8.110 -0.561 1 1 1368 . 1 1 1 A 135 135 LEU HA H 348 4.466 4.054 0.412 1 1 1378 . 1 1 1 A 135 135 LEU C C 348 176.458 179.437 -2.979 1 1 1379 . 1 1 1 A 135 135 LEU CA C 348 53.787 57.149 -3.362 1 1 1380 . 1 1 1 A 135 135 LEU CB C 348 44.189 41.708 2.481 1 1 1384 . 1 1 1 A 135 135 LEU N N 348 118.501 121.252 -2.751 1 1 1385 . 1 1 1 A 136 136 ALA H H 349 7.776 8.503 -0.727 1 1 1386 . 1 1 1 A 136 136 ALA HA H 349 4.056 4.204 -0.148 1 1 1390 . 1 1 1 A 136 136 ALA C C 349 178.620 179.998 -1.378 1 1 1391 . 1 1 1 A 136 136 ALA CA C 349 54.406 55.131 -0.725 1 1 1392 . 1 1 1 A 136 136 ALA CB C 349 17.934 18.601 -0.667 1 1 1393 . 1 1 1 A 136 136 ALA N N 349 125.801 122.590 3.211 1 1 1394 . 1 1 1 A 137 137 GLY H H 350 9.371 8.395 0.976 1 1 1395 . 1 1 1 A 137 137 GLY C C 350 173.026 173.785 -0.759 1 1 1396 . 1 1 1 A 137 137 GLY CA C 350 45.132 46.130 -0.998 1 1 1397 . 1 1 1 A 137 137 GLY N N 350 111.181 106.165 5.016 1 1 1398 . 1 1 1 A 138 138 LYS H H 351 8.038 7.807 0.231 1 1 1399 . 1 1 1 A 138 138 LYS HA H 351 4.660 4.860 -0.200 1 1 1400 . 1 1 1 A 138 138 LYS C C 351 172.078 174.065 -1.987 1 1 1401 . 1 1 1 A 138 138 LYS CA C 351 52.728 53.305 -0.577 1 1 1402 . 1 1 1 A 138 138 LYS CB C 351 32.069 35.050 -2.981 1 1 1404 . 1 1 1 A 138 138 LYS N N 351 119.821 116.856 2.965 1 1 1405 . 1 1 1 A 139 139 PRO HA H 352 4.300 4.524 -0.224 1 1 1412 . 1 1 1 A 139 139 PRO C C 352 173.954 175.462 -1.508 1 1 1413 . 1 1 1 A 139 139 PRO CA C 352 62.595 62.426 0.169 1 1 1414 . 1 1 1 A 139 139 PRO CB C 352 31.399 33.226 -1.827 1 1 1417 . 1 1 1 A 140 140 LYS H H 353 8.188 9.033 -0.845 1 1 1418 . 1 1 1 A 140 140 LYS HA H 353 4.610 4.905 -0.295 1 1 1419 . 1 1 1 A 140 140 LYS C C 353 173.494 174.206 -0.712 1 1 1420 . 1 1 1 A 140 140 LYS CA C 353 55.344 55.602 -0.258 1 1 1421 . 1 1 1 A 140 140 LYS CB C 353 32.527 36.963 -4.436 1 1 1423 . 1 1 1 A 140 140 LYS N N 353 123.304 120.676 2.628 1 1 1424 . 1 1 1 A 141 141 VAL H H 354 8.344 8.209 0.135 1 1 1425 . 1 1 1 A 141 141 VAL HA H 354 4.533 5.142 -0.609 1 1 1433 . 1 1 1 A 141 141 VAL C C 354 172.277 174.362 -2.085 1 1 1434 . 1 1 1 A 141 141 VAL CA C 354 60.596 60.837 -0.241 1 1 1435 . 1 1 1 A 141 141 VAL CB C 354 33.580 35.085 -1.505 1 1 1438 . 1 1 1 A 141 141 VAL N N 354 122.550 123.522 -0.972 1 1 1439 . 1 1 1 A 142 142 PHE H H 355 8.985 9.291 -0.306 1 1 1440 . 1 1 1 A 142 142 PHE HA H 355 5.436 5.197 0.239 1 1 1441 . 1 1 1 A 142 142 PHE C C 355 173.666 174.582 -0.916 1 1 1442 . 1 1 1 A 142 142 PHE CA C 355 54.968 56.211 -1.243 1 1 1443 . 1 1 1 A 142 142 PHE CB C 355 42.877 40.957 1.920 1 1 1444 . 1 1 1 A 142 142 PHE N N 355 123.850 125.052 -1.202 1 1 1445 . 1 1 1 A 143 143 PHE H H 356 8.584 8.608 -0.024 1 1 1446 . 1 1 1 A 143 143 PHE HA H 356 5.934 5.067 0.867 1 1 1449 . 1 1 1 A 143 143 PHE C C 356 174.526 175.676 -1.150 1 1 1450 . 1 1 1 A 143 143 PHE CA C 356 55.909 57.686 -1.777 1 1 1451 . 1 1 1 A 143 143 PHE CB C 356 39.923 40.966 -1.043 1 1 1454 . 1 1 1 A 143 143 PHE N N 356 119.801 123.026 -3.225 1 1 1455 . 1 1 1 A 144 144 ILE H H 357 9.020 8.928 0.092 1 1 1456 . 1 1 1 A 144 144 ILE HA H 357 5.040 4.781 0.259 1 1 1466 . 1 1 1 A 144 144 ILE C C 357 173.323 175.435 -2.112 1 1 1467 . 1 1 1 A 144 144 ILE CA C 357 59.479 60.239 -0.760 1 1 1468 . 1 1 1 A 144 144 ILE CB C 357 40.898 42.368 -1.470 1 1 1472 . 1 1 1 A 144 144 ILE N N 357 121.194 121.369 -0.175 1 1 1473 . 1 1 1 A 145 145 GLN H H 358 8.856 8.726 0.130 1 1 1474 . 1 1 1 A 145 145 GLN HA H 358 4.670 4.487 0.183 1 1 1475 . 1 1 1 A 145 145 GLN C C 358 171.591 176.099 -4.508 1 1 1476 . 1 1 1 A 145 145 GLN CA C 358 53.648 55.301 -1.653 1 1 1477 . 1 1 1 A 145 145 GLN CB C 358 30.373 27.291 3.082 1 1 1479 . 1 1 1 A 145 145 GLN N N 358 128.880 127.548 1.332 1 1 1480 . 1 1 1 A 146 146 ALA H H 359 8.418 8.508 -0.090 1 1 1481 . 1 1 1 A 146 146 ALA HA H 359 5.247 4.363 0.884 1 1 1485 . 1 1 1 A 146 146 ALA C C 359 175.319 178.406 -3.087 1 1 1486 . 1 1 1 A 146 146 ALA CA C 359 50.243 52.505 -2.262 1 1 1487 . 1 1 1 A 146 146 ALA CB C 359 18.786 18.867 -0.081 1 1 1488 . 1 1 1 A 146 146 ALA N N 359 128.349 127.310 1.039 1 1 1489 . 1 1 1 A 147 147 ALA H H 360 8.161 7.913 0.248 1 1 1490 . 1 1 1 A 147 147 ALA HA H 360 4.343 4.097 0.246 1 1 1494 . 1 1 1 A 147 147 ALA C C 360 177.238 177.777 -0.539 1 1 1495 . 1 1 1 A 147 147 ALA CA C 360 52.078 55.318 -3.240 1 1 1496 . 1 1 1 A 147 147 ALA CB C 360 20.003 18.563 1.440 1 1 1497 . 1 1 1 A 147 147 ALA N N 360 123.005 121.825 1.180 1 1 1498 . 1 1 1 A 148 148 GLN H H 361 8.461 7.934 0.527 1 1 1499 . 1 1 1 A 148 148 GLN HA H 361 4.663 4.029 0.634 1 1 1504 . 1 1 1 A 148 148 GLN C C 361 176.333 176.503 -0.170 1 1 1505 . 1 1 1 A 148 148 GLN CA C 361 55.760 56.780 -1.020 1 1 1506 . 1 1 1 A 148 148 GLN CB C 361 29.937 27.375 2.562 1 1 1508 . 1 1 1 A 148 148 GLN N N 361 120.296 116.703 3.593 1 1 1509 . 1 1 1 A 149 149 GLY H H 362 8.631 7.890 0.741 1 1 1510 . 1 1 1 A 149 149 GLY HA2 H 362 3.858 3.774 0.084 1 1 1511 . 1 1 1 A 149 149 GLY HA3 H 362 3.858 3.790 0.068 1 1 1512 . 1 1 1 A 149 149 GLY C C 362 172.022 173.844 -1.822 1 1 1513 . 1 1 1 A 149 149 GLY CA C 362 44.969 47.192 -2.223 1 1 1514 . 1 1 1 A 149 149 GLY N N 362 109.782 107.855 1.927 1 1 1515 . 1 1 1 A 150 150 ASP H H 363 7.566 7.622 -0.056 1 1 1516 . 1 1 1 A 150 150 ASP HA H 363 4.661 5.107 -0.446 1 1 1519 . 1 1 1 A 150 150 ASP C C 363 174.446 174.993 -0.547 1 1 1520 . 1 1 1 A 150 150 ASP CA C 363 57.776 52.703 5.073 1 1 1521 . 1 1 1 A 150 150 ASP CB C 363 39.423 44.892 -5.469 1 1 1522 . 1 1 1 A 150 150 ASP N N 363 118.182 119.104 -0.922 1 1 1523 . 1 1 1 A 153 153 GLN HA H 366 4.665 4.095 0.570 1 1 1530 . 1 1 1 A 153 153 GLN CA C 366 53.779 57.369 -3.590 1 1 1531 . 1 1 1 A 153 153 GLN CB C 366 28.988 28.731 0.257 1 1 1534 . 1 1 1 A 155 155 GLY HA2 H 368 3.899 4.127 -0.228 1 1 1535 . 1 1 1 A 155 155 GLY HA3 H 368 3.899 4.130 -0.231 1 1 1536 . 1 1 1 A 155 155 GLY CA C 368 45.013 45.773 -0.760 1 1 1537 . 1 1 1 A 156 156 ILE H H 369 7.871 8.762 -0.891 1 1 1538 . 1 1 1 A 156 156 ILE HA H 369 4.428 4.848 -0.420 1 1 1548 . 1 1 1 A 156 156 ILE C C 369 174.196 175.342 -1.146 1 1 1549 . 1 1 1 A 156 156 ILE CA C 369 58.676 57.201 1.475 1 1 1550 . 1 1 1 A 156 156 ILE CB C 369 38.516 39.708 -1.192 1 1 1554 . 1 1 1 A 156 156 ILE N N 369 120.958 121.538 -0.580 1 1 1555 . 1 1 1 A 157 157 PRO HA H 370 4.386 4.572 -0.186 1 1 1562 . 1 1 1 A 157 157 PRO C C 370 176.218 176.736 -0.518 1 1 1563 . 1 1 1 A 157 157 PRO CA C 370 63.431 64.333 -0.902 1 1 1564 . 1 1 1 A 157 157 PRO CB C 370 31.913 32.051 -0.138 1 1 1567 . 1 1 1 A 158 158 VAL H H 371 8.137 7.540 0.597 1 1 1568 . 1 1 1 A 158 158 VAL HA H 371 4.089 4.150 -0.061 1 1 1576 . 1 1 1 A 158 158 VAL C C 371 175.904 175.922 -0.018 1 1 1577 . 1 1 1 A 158 158 VAL CA C 371 62.121 61.170 0.951 1 1 1578 . 1 1 1 A 158 158 VAL CB C 371 32.958 32.705 0.253 1 1 1581 . 1 1 1 A 158 158 VAL N N 371 119.640 115.263 4.377 1 1 1582 . 1 1 1 A 159 159 GLU H H 372 8.523 8.433 0.090 1 1 1583 . 1 1 1 A 159 159 GLU HA H 372 4.345 4.896 -0.551 1 1 1588 . 1 1 1 A 159 159 GLU C C 372 176.068 175.959 0.109 1 1 1589 . 1 1 1 A 159 159 GLU CA C 372 56.474 54.995 1.479 1 1 1590 . 1 1 1 A 159 159 GLU CB C 372 30.078 31.349 -1.271 1 1 1592 . 1 1 1 A 159 159 GLU N N 372 123.765 120.114 3.651 1 1 1593 . 1 1 1 A 160 160 THR H H 373 8.096 8.512 -0.416 1 1 1594 . 1 1 1 A 160 160 THR HA H 373 4.311 5.041 -0.730 1 1 1599 . 1 1 1 A 160 160 THR C C 373 173.701 173.207 0.494 1 1 1600 . 1 1 1 A 160 160 THR CA C 373 61.845 60.289 1.556 1 1 1601 . 1 1 1 A 160 160 THR CB C 373 69.760 71.407 -1.647 1 1 1603 . 1 1 1 A 160 160 THR N N 373 114.143 109.419 4.724 1 1 1604 . 1 1 1 A 161 161 ASP H H 374 8.387 8.954 -0.567 1 1 1605 . 1 1 1 A 161 161 ASP HA H 374 4.625 4.759 -0.134 1 1 1608 . 1 1 1 A 161 161 ASP C C 374 175.806 175.504 0.302 1 1 1609 . 1 1 1 A 161 161 ASP CA C 374 54.478 55.804 -1.326 1 1 1610 . 1 1 1 A 161 161 ASP CB C 374 41.096 43.279 -2.183 1 1 1611 . 1 1 1 A 161 161 ASP N N 374 122.070 122.743 -0.673 1 1 1612 . 1 1 1 A 162 162 SER H H 375 8.175 8.019 0.156 1 1 1613 . 1 1 1 A 162 162 SER HA H 375 4.385 4.633 -0.248 1 1 1616 . 1 1 1 A 162 162 SER C C 375 174.169 174.384 -0.215 1 1 1617 . 1 1 1 A 162 162 SER CA C 375 58.631 57.084 1.547 1 1 1618 . 1 1 1 A 162 162 SER CB C 375 63.814 63.220 0.594 1 1 1619 . 1 1 1 A 162 162 SER N N 375 115.346 112.089 3.257 1 1 1620 . 1 1 1 A 163 163 GLU H H 376 8.424 8.576 -0.152 1 1 1621 . 1 1 1 A 163 163 GLU HA H 376 4.263 4.729 -0.466 1 1 1626 . 1 1 1 A 163 163 GLU C C 376 175.959 176.680 -0.721 1 1 1627 . 1 1 1 A 163 163 GLU CA C 376 56.567 55.856 0.711 1 1 1628 . 1 1 1 A 163 163 GLU CB C 376 30.044 30.335 -0.291 1 1 1630 . 1 1 1 A 163 163 GLU N N 376 122.034 124.951 -2.917 1 1 1631 . 1 1 1 A 164 164 GLU H H 377 8.298 8.167 0.131 1 1 1632 . 1 1 1 A 164 164 GLU HA H 377 4.224 4.047 0.177 1 1 1637 . 1 1 1 A 164 164 GLU C C 377 175.816 178.056 -2.240 1 1 1638 . 1 1 1 A 164 164 GLU CA C 377 56.489 59.604 -3.115 1 1 1639 . 1 1 1 A 164 164 GLU CB C 377 30.220 29.570 0.650 1 1 1641 . 1 1 1 A 164 164 GLU N N 377 120.980 120.923 0.057 1 1 1642 . 1 1 1 A 165 165 GLN H H 378 8.340 8.180 0.160 1 1 1643 . 1 1 1 A 165 165 GLN HA H 378 4.563 4.386 0.177 1 1 1645 . 1 1 1 A 165 165 GLN C C 378 173.510 176.198 -2.688 1 1 1646 . 1 1 1 A 165 165 GLN CA C 378 53.530 56.588 -3.058 1 1 1647 . 1 1 1 A 165 165 GLN CB C 378 28.816 30.410 -1.594 1 1 1649 . 1 1 1 A 165 165 GLN N N 378 121.693 115.880 5.813 1 1 1650 . 1 1 1 A 166 166 PRO HA H 379 4.381 4.707 -0.326 1 1 1657 . 1 1 1 A 166 166 PRO C C 379 176.081 175.654 0.427 1 1 1658 . 1 1 1 A 166 166 PRO CA C 379 63.260 62.626 0.634 1 1 1659 . 1 1 1 A 166 166 PRO CB C 379 32.010 29.140 2.870 1 1 1662 . 1 1 1 A 167 167 TYR H H 380 8.116 8.500 -0.384 1 1 1663 . 1 1 1 A 167 167 TYR HA H 380 4.513 4.669 -0.156 1 1 1668 . 1 1 1 A 167 167 TYR C C 380 174.992 175.163 -0.171 1 1 1669 . 1 1 1 A 167 167 TYR CA C 380 57.699 57.529 0.170 1 1 1670 . 1 1 1 A 167 167 TYR CB C 380 38.344 39.938 -1.594 1 1 1673 . 1 1 1 A 167 167 TYR N N 380 119.531 119.763 -0.232 1 1 1674 . 1 1 1 A 168 168 LEU H H 381 7.953 8.305 -0.352 1 1 1675 . 1 1 1 A 168 168 LEU HA H 381 4.267 4.659 -0.392 1 1 1685 . 1 1 1 A 168 168 LEU C C 381 176.162 175.608 0.554 1 1 1686 . 1 1 1 A 168 168 LEU CA C 381 54.808 53.599 1.209 1 1 1687 . 1 1 1 A 168 168 LEU CB C 381 42.735 42.986 -0.251 1 1 1691 . 1 1 1 A 168 168 LEU N N 381 124.133 121.078 3.055 1 1 1692 . 1 1 1 A 169 169 GLU H H 382 8.190 8.868 -0.678 1 1 1693 . 1 1 1 A 169 169 GLU HA H 382 4.167 4.968 -0.801 1 1 1698 . 1 1 1 A 169 169 GLU C C 382 175.881 174.965 0.916 1 1 1699 . 1 1 1 A 169 169 GLU CA C 382 56.655 54.636 2.019 1 1 1700 . 1 1 1 A 169 169 GLU CB C 382 30.058 32.264 -2.206 1 1 1702 . 1 1 1 A 169 169 GLU N N 382 121.131 120.223 0.908 1 1 1703 . 1 1 1 A 170 170 MET H H 383 8.214 8.362 -0.148 1 1 1704 . 1 1 1 A 170 170 MET HA H 383 4.377 5.101 -0.724 1 1 1709 . 1 1 1 A 170 170 MET C C 383 175.132 174.139 0.993 1 1 1710 . 1 1 1 A 170 170 MET CA C 383 55.606 54.004 1.602 1 1 1711 . 1 1 1 A 170 170 MET CB C 383 33.091 38.023 -4.932 1 1 1713 . 1 1 1 A 170 170 MET N N 383 120.601 122.136 -1.535 1 1 1714 . 1 1 1 A 171 171 ASP H H 384 8.358 8.924 -0.566 1 1 1715 . 1 1 1 A 171 171 ASP HA H 384 4.575 5.532 -0.957 1 1 1718 . 1 1 1 A 171 171 ASP C C 384 175.966 174.686 1.280 1 1 1719 . 1 1 1 A 171 171 ASP CA C 384 53.741 52.070 1.671 1 1 1720 . 1 1 1 A 171 171 ASP CB C 384 40.571 44.993 -4.422 1 1 1721 . 1 1 1 A 171 171 ASP N N 384 121.104 117.417 3.687 1 1 1722 . 1 1 1 A 172 172 LEU H H 385 8.285 8.722 -0.437 1 1 1723 . 1 1 1 A 172 172 LEU HA H 385 4.305 5.104 -0.799 1 1 1733 . 1 1 1 A 172 172 LEU C C 385 177.140 175.643 1.497 1 1 1734 . 1 1 1 A 172 172 LEU CA C 385 55.122 52.865 2.257 1 1 1735 . 1 1 1 A 172 172 LEU CB C 385 41.851 45.969 -4.118 1 1 1739 . 1 1 1 A 172 172 LEU N N 385 123.115 117.427 5.688 1 1 1740 . 1 1 1 A 173 173 SER H H 386 8.290 8.689 -0.399 1 1 1741 . 1 1 1 A 173 173 SER N N 386 115.101 117.328 -2.227 1 1 1742 . 1 1 1 A 176 176 GLN HA H 389 4.383 4.785 -0.402 1 1 1749 . 1 1 1 A 176 176 GLN CA C 389 55.991 55.041 0.950 1 1 1750 . 1 1 1 A 176 176 GLN CB C 389 29.280 31.160 -1.880 1 1 1753 . 1 1 1 A 177 177 THR H H 390 6.958 8.951 -1.993 1 1 1754 . 1 1 1 A 177 177 THR HA H 390 3.970 5.104 -1.134 1 1 1759 . 1 1 1 A 177 177 THR C C 390 172.764 172.927 -0.163 1 1 1760 . 1 1 1 A 177 177 THR CA C 390 62.221 61.170 1.051 1 1 1761 . 1 1 1 A 177 177 THR CB C 390 69.382 71.577 -2.195 1 1 1763 . 1 1 1 A 177 177 THR N N 390 115.463 119.937 -4.474 1 1 1764 . 1 1 1 A 178 178 ARG H H 391 7.873 9.023 -1.150 1 1 1765 . 1 1 1 A 178 178 ARG C C 391 174.982 175.132 -0.150 1 1 1766 . 1 1 1 A 178 178 ARG CA C 391 55.266 55.321 -0.055 1 1 1767 . 1 1 1 A 178 178 ARG CB C 391 31.052 30.964 0.088 1 1 1769 . 1 1 1 A 178 178 ARG N N 391 122.116 129.578 -7.462 1 1 1770 . 1 1 1 A 179 179 TYR H H 392 8.812 7.906 0.906 1 1 1771 . 1 1 1 A 179 179 TYR HA H 392 4.621 4.911 -0.290 1 1 1776 . 1 1 1 A 179 179 TYR C C 392 174.337 174.547 -0.210 1 1 1777 . 1 1 1 A 179 179 TYR CA C 392 57.444 56.460 0.984 1 1 1778 . 1 1 1 A 179 179 TYR CB C 392 40.623 38.145 2.478 1 1 1781 . 1 1 1 A 179 179 TYR N N 392 118.296 121.686 -3.390 1 1 1782 . 1 1 1 A 180 180 ILE H H 393 7.254 8.008 -0.754 1 1 1783 . 1 1 1 A 180 180 ILE HA H 393 4.610 4.594 0.016 1 1 1793 . 1 1 1 A 180 180 ILE C C 393 171.654 173.981 -2.327 1 1 1794 . 1 1 1 A 180 180 ILE CA C 393 56.916 58.451 -1.535 1 1 1795 . 1 1 1 A 180 180 ILE CB C 393 39.736 38.844 0.892 1 1 1799 . 1 1 1 A 180 180 ILE N N 393 108.609 127.066 -18.457 1 1 1800 . 1 1 1 A 181 181 PRO HA H 394 4.709 4.312 0.397 1 1 1807 . 1 1 1 A 181 181 PRO C C 394 173.910 177.405 -3.495 1 1 1808 . 1 1 1 A 181 181 PRO CA C 394 62.144 63.887 -1.743 1 1 1809 . 1 1 1 A 181 181 PRO CB C 394 32.527 31.841 0.686 1 1 1812 . 1 1 1 A 182 182 ASP H H 395 8.296 8.139 0.157 1 1 1813 . 1 1 1 A 182 182 ASP HA H 395 4.665 4.291 0.374 1 1 1816 . 1 1 1 A 182 182 ASP C C 395 175.120 175.345 -0.225 1 1 1817 . 1 1 1 A 182 182 ASP CA C 395 52.455 54.953 -2.498 1 1 1818 . 1 1 1 A 182 182 ASP CB C 395 38.742 38.538 0.204 1 1 1819 . 1 1 1 A 182 182 ASP N N 395 120.042 118.690 1.352 1 1 1820 . 1 1 1 A 183 183 GLU H H 396 7.651 8.152 -0.501 1 1 1821 . 1 1 1 A 183 183 GLU HA H 396 4.492 4.460 0.032 1 1 1826 . 1 1 1 A 183 183 GLU C C 396 173.702 176.087 -2.385 1 1 1827 . 1 1 1 A 183 183 GLU CA C 396 54.897 55.551 -0.654 1 1 1828 . 1 1 1 A 183 183 GLU CB C 396 32.509 29.931 2.578 1 1 1830 . 1 1 1 A 183 183 GLU N N 396 117.840 119.579 -1.739 1 1 1831 . 1 1 1 A 184 184 ALA H H 397 8.365 8.599 -0.234 1 1 1832 . 1 1 1 A 184 184 ALA HA H 397 4.394 4.476 -0.082 1 1 1836 . 1 1 1 A 184 184 ALA C C 397 175.829 177.699 -1.870 1 1 1837 . 1 1 1 A 184 184 ALA CA C 397 52.770 52.414 0.356 1 1 1838 . 1 1 1 A 184 184 ALA CB C 397 20.682 19.862 0.820 1 1 1839 . 1 1 1 A 184 184 ALA N N 397 121.613 128.707 -7.094 1 1 1840 . 1 1 1 A 185 185 ASP H H 398 7.245 8.733 -1.488 1 1 1841 . 1 1 1 A 185 185 ASP HA H 398 4.092 4.127 -0.035 1 1 1844 . 1 1 1 A 185 185 ASP C C 398 172.730 174.307 -1.577 1 1 1845 . 1 1 1 A 185 185 ASP CA C 398 56.144 55.549 0.595 1 1 1846 . 1 1 1 A 185 185 ASP CB C 398 39.841 39.340 0.501 1 1 1847 . 1 1 1 A 185 185 ASP N N 398 105.829 115.950 -10.121 1 1 1848 . 1 1 1 A 186 186 PHE H H 399 8.467 7.412 1.055 1 1 1849 . 1 1 1 A 186 186 PHE HA H 399 5.486 5.310 0.176 1 1 1852 . 1 1 1 A 186 186 PHE C C 399 176.218 174.164 2.054 1 1 1853 . 1 1 1 A 186 186 PHE CA C 399 57.959 56.364 1.595 1 1 1854 . 1 1 1 A 186 186 PHE CB C 399 44.529 43.892 0.637 1 1 1855 . 1 1 1 A 186 186 PHE N N 399 116.177 118.262 -2.085 1 1 1856 . 1 1 1 A 187 187 LEU H H 400 8.964 9.172 -0.208 1 1 1857 . 1 1 1 A 187 187 LEU HA H 400 4.963 5.295 -0.332 1 1 1867 . 1 1 1 A 187 187 LEU C C 400 171.747 174.207 -2.460 1 1 1868 . 1 1 1 A 187 187 LEU CA C 400 55.422 53.665 1.757 1 1 1869 . 1 1 1 A 187 187 LEU CB C 400 45.641 45.301 0.340 1 1 1873 . 1 1 1 A 187 187 LEU N N 400 121.383 123.207 -1.824 1 1 1874 . 1 1 1 A 188 188 LEU H H 401 9.312 9.129 0.183 1 1 1875 . 1 1 1 A 188 188 LEU HA H 401 5.580 5.349 0.231 1 1 1885 . 1 1 1 A 188 188 LEU C C 401 173.853 176.843 -2.990 1 1 1886 . 1 1 1 A 188 188 LEU CA C 401 53.421 53.304 0.117 1 1 1887 . 1 1 1 A 188 188 LEU CB C 401 45.403 45.775 -0.372 1 1 1891 . 1 1 1 A 188 188 LEU N N 401 128.151 128.564 -0.413 1 1 1892 . 1 1 1 A 189 189 GLY H H 402 9.415 8.804 0.611 1 1 1893 . 1 1 1 A 189 189 GLY HA2 H 402 4.670 4.018 0.652 1 1 1894 . 1 1 1 A 189 189 GLY HA3 H 402 3.663 4.143 -0.480 1 1 1895 . 1 1 1 A 189 189 GLY C C 402 171.014 174.196 -3.182 1 1 1896 . 1 1 1 A 189 189 GLY CA C 402 44.967 45.437 -0.470 1 1 1897 . 1 1 1 A 189 189 GLY N N 402 115.881 113.405 2.476 1 1 1898 . 1 1 1 A 190 190 MET H H 403 8.118 7.437 0.681 1 1 1899 . 1 1 1 A 190 190 MET HA H 403 5.314 4.351 0.963 1 1 1907 . 1 1 1 A 190 190 MET C C 403 173.744 175.323 -1.579 1 1 1908 . 1 1 1 A 190 190 MET CA C 403 53.284 55.857 -2.573 1 1 1909 . 1 1 1 A 190 190 MET CB C 403 36.614 33.308 3.306 1 1 1912 . 1 1 1 A 190 190 MET N N 403 122.165 119.679 2.486 1 1 1934 . 1 1 1 A 203 203 ALA H H 416 8.076 8.317 -0.241 1 1 1935 . 1 1 1 A 203 203 ALA HA H 416 4.228 4.501 -0.273 1 1 1939 . 1 1 1 A 203 203 ALA C C 416 176.895 179.218 -2.323 1 1 1940 . 1 1 1 A 203 203 ALA CA C 416 52.743 51.874 0.869 1 1 1941 . 1 1 1 A 203 203 ALA CB C 416 18.723 19.767 -1.044 1 1 1942 . 1 1 1 A 203 203 ALA N N 416 119.053 124.728 -5.675 1 1 1943 . 1 1 1 A 204 204 GLU H H 417 7.784 8.896 -1.112 1 1 1944 . 1 1 1 A 204 204 GLU HA H 417 4.350 4.368 -0.018 1 1 1949 . 1 1 1 A 204 204 GLU C C 417 175.678 176.804 -1.126 1 1 1950 . 1 1 1 A 204 204 GLU CA C 417 55.650 56.358 -0.708 1 1 1951 . 1 1 1 A 204 204 GLU CB C 417 30.312 29.014 1.298 1 1 1953 . 1 1 1 A 204 204 GLU N N 417 116.458 118.861 -2.403 1 1 1954 . 1 1 1 A 205 205 GLY H H 418 7.910 7.907 0.003 1 1 1955 . 1 1 1 A 205 205 GLY CA C 418 43.804 45.878 -2.074 1 1 1956 . 1 1 1 A 205 205 GLY N N 418 108.024 108.673 -0.649 1 1 1957 . 1 1 1 A 206 206 THR H H 419 8.364 9.025 -0.661 1 1 1958 . 1 1 1 A 206 206 THR HA H 419 4.316 5.004 -0.688 1 1 1963 . 1 1 1 A 206 206 THR CA C 419 64.682 60.986 3.696 1 1 1964 . 1 1 1 A 206 206 THR CB C 419 69.304 72.956 -3.652 1 1 1966 . 1 1 1 A 206 206 THR N N 419 115.417 120.029 -4.612 1 1 1967 . 1 1 1 A 207 207 TRP HA H 420 4.116 4.603 -0.487 1 1 1976 . 1 1 1 A 207 207 TRP CA C 420 61.178 57.040 4.138 1 1 1977 . 1 1 1 A 207 207 TRP CB C 420 28.670 31.067 -2.397 1 1 1984 . 1 1 1 A 209 209 ILE H H 422 6.744 8.642 -1.898 1 1 1985 . 1 1 1 A 209 209 ILE HA H 422 3.349 4.203 -0.854 1 1 1993 . 1 1 1 A 209 209 ILE C C 422 178.143 176.175 1.968 1 1 1994 . 1 1 1 A 209 209 ILE CA C 422 60.865 62.221 -1.356 1 1 1995 . 1 1 1 A 209 209 ILE CB C 422 34.371 38.216 -3.845 1 1 1999 . 1 1 1 A 209 209 ILE N N 422 113.211 120.815 -7.604 1 1 2000 . 1 1 1 A 210 210 GLN H H 423 8.252 7.835 0.417 1 1 2001 . 1 1 1 A 210 210 GLN HA H 423 3.548 3.935 -0.387 1 1 2006 . 1 1 1 A 210 210 GLN C C 423 179.079 176.628 2.451 1 1 2007 . 1 1 1 A 210 210 GLN CA C 423 58.795 56.961 1.834 1 1 2008 . 1 1 1 A 210 210 GLN CB C 423 26.704 28.156 -1.452 1 1 2010 . 1 1 1 A 210 210 GLN N N 423 116.455 122.736 -6.281 1 1 2011 . 1 1 1 A 211 211 SER H H 424 8.162 8.893 -0.731 1 1 2012 . 1 1 1 A 211 211 SER HA H 424 3.961 4.112 -0.151 1 1 2015 . 1 1 1 A 211 211 SER C C 424 179.150 174.183 4.967 1 1 2016 . 1 1 1 A 211 211 SER CA C 424 61.850 60.248 1.602 1 1 2017 . 1 1 1 A 211 211 SER CB C 424 62.214 61.312 0.902 1 1 2018 . 1 1 1 A 211 211 SER N N 424 115.041 117.927 -2.886 1 1 2019 . 1 1 1 A 212 212 LEU H H 425 8.061 7.966 0.095 1 1 2020 . 1 1 1 A 212 212 LEU HA H 425 3.540 4.113 -0.573 1 1 2030 . 1 1 1 A 212 212 LEU C C 425 177.566 178.247 -0.681 1 1 2031 . 1 1 1 A 212 212 LEU CA C 425 58.548 57.528 1.020 1 1 2032 . 1 1 1 A 212 212 LEU CB C 425 41.665 42.057 -0.392 1 1 2036 . 1 1 1 A 212 212 LEU N N 425 124.082 121.080 3.002 1 1 2037 . 1 1 1 A 213 213 CYS H H 426 7.940 7.935 0.005 1 1 2038 . 1 1 1 A 213 213 CYS HA H 426 3.628 3.947 -0.319 1 1 2041 . 1 1 1 A 213 213 CYS C C 426 175.741 177.242 -1.501 1 1 2042 . 1 1 1 A 213 213 CYS CA C 426 65.159 62.069 3.090 1 1 2043 . 1 1 1 A 213 213 CYS CB C 426 49.251 27.138 22.113 1 1 2044 . 1 1 1 A 213 213 CYS N N 426 114.351 117.657 -3.306 1 1 2045 . 1 1 1 A 214 214 GLN H H 427 7.510 8.178 -0.668 1 1 2046 . 1 1 1 A 214 214 GLN HA H 427 3.772 4.083 -0.311 1 1 2051 . 1 1 1 A 214 214 GLN C C 427 177.769 177.965 -0.196 1 1 2052 . 1 1 1 A 214 214 GLN CA C 427 59.019 57.527 1.492 1 1 2053 . 1 1 1 A 214 214 GLN CB C 427 27.718 27.922 -0.204 1 1 2055 . 1 1 1 A 214 214 GLN N N 427 117.399 118.227 -0.828 1 1 2056 . 1 1 1 A 215 215 SER H H 428 7.906 7.781 0.125 1 1 2057 . 1 1 1 A 215 215 SER HA H 428 4.173 4.222 -0.049 1 1 2060 . 1 1 1 A 215 215 SER CA C 428 62.653 62.269 0.384 1 1 2061 . 1 1 1 A 215 215 SER CB C 428 62.889 63.291 -0.402 1 1 2062 . 1 1 1 A 215 215 SER N N 428 113.799 117.855 -4.056 1 1 2063 . 1 1 1 A 216 216 LEU H H 429 8.505 7.932 0.573 1 1 2064 . 1 1 1 A 216 216 LEU HA H 429 4.156 3.924 0.232 1 1 2071 . 1 1 1 A 216 216 LEU C C 429 178.848 178.194 0.654 1 1 2072 . 1 1 1 A 216 216 LEU CA C 429 58.053 58.369 -0.316 1 1 2073 . 1 1 1 A 216 216 LEU CB C 429 41.222 41.645 -0.423 1 1 2076 . 1 1 1 A 216 216 LEU N N 429 121.357 120.186 1.171 1 1 2077 . 1 1 1 A 217 217 ARG H H 430 7.972 8.035 -0.063 1 1 2078 . 1 1 1 A 217 217 ARG HA H 430 3.850 3.835 0.015 1 1 2085 . 1 1 1 A 217 217 ARG C C 430 178.237 177.995 0.242 1 1 2086 . 1 1 1 A 217 217 ARG CA C 430 59.472 58.743 0.729 1 1 2087 . 1 1 1 A 217 217 ARG CB C 430 30.256 29.936 0.320 1 1 2090 . 1 1 1 A 217 217 ARG N N 430 116.018 120.234 -4.216 1 1 2091 . 1 1 1 A 218 218 GLU H H 431 7.583 8.108 -0.525 1 1 2092 . 1 1 1 A 218 218 GLU HA H 431 4.119 4.115 0.004 1 1 2096 . 1 1 1 A 218 218 GLU C C 431 178.377 179.142 -0.765 1 1 2097 . 1 1 1 A 218 218 GLU CA C 431 58.207 58.725 -0.518 1 1 2098 . 1 1 1 A 218 218 GLU CB C 431 30.548 29.248 1.300 1 1 2100 . 1 1 1 A 218 218 GLU N N 431 113.645 118.929 -5.284 1 1 2101 . 1 1 1 A 219 219 ARG H H 432 8.621 7.861 0.760 1 1 2102 . 1 1 1 A 219 219 ARG HA H 432 4.180 4.138 0.042 1 1 2103 . 1 1 1 A 219 219 ARG C C 432 178.455 178.634 -0.179 1 1 2104 . 1 1 1 A 219 219 ARG CA C 432 58.428 58.493 -0.065 1 1 2105 . 1 1 1 A 219 219 ARG CB C 432 30.936 29.905 1.031 1 1 2107 . 1 1 1 A 219 219 ARG N N 432 114.272 119.707 -5.435 1 1 2108 . 1 1 1 A 220 220 CYS H H 433 8.828 7.986 0.842 1 1 2109 . 1 1 1 A 220 220 CYS HA H 433 4.464 4.145 0.319 1 1 2112 . 1 1 1 A 220 220 CYS C C 433 176.708 173.222 3.486 1 1 2113 . 1 1 1 A 220 220 CYS CA C 433 66.312 63.526 2.786 1 1 2114 . 1 1 1 A 220 220 CYS CB C 433 47.095 26.116 20.979 1 1 2115 . 1 1 1 A 220 220 CYS N N 433 120.012 118.708 1.304 1 1 2116 . 1 1 1 A 221 221 PRO HA H 434 4.463 4.388 0.075 1 1 2123 . 1 1 1 A 221 221 PRO C C 434 177.064 177.981 -0.917 1 1 2124 . 1 1 1 A 221 221 PRO CA C 434 65.717 64.684 1.033 1 1 2125 . 1 1 1 A 221 221 PRO CB C 434 31.169 31.356 -0.187 1 1 2128 . 1 1 1 A 222 222 ARG H H 435 6.904 7.701 -0.797 1 1 2129 . 1 1 1 A 222 222 ARG HA H 435 4.331 4.348 -0.017 1 1 2136 . 1 1 1 A 222 222 ARG C C 435 176.536 176.654 -0.118 1 1 2137 . 1 1 1 A 222 222 ARG CA C 435 55.901 56.236 -0.335 1 1 2138 . 1 1 1 A 222 222 ARG CB C 435 30.116 30.543 -0.427 1 1 2141 . 1 1 1 A 222 222 ARG N N 435 112.486 116.874 -4.388 1 1 2142 . 1 1 1 A 223 223 GLY H H 436 8.160 7.895 0.265 1 1 2143 . 1 1 1 A 223 223 GLY HA2 H 436 4.237 3.982 0.255 1 1 2144 . 1 1 1 A 223 223 GLY HA3 H 436 3.643 4.029 -0.386 1 1 2145 . 1 1 1 A 223 223 GLY C C 436 173.338 174.267 -0.929 1 1 2146 . 1 1 1 A 223 223 GLY CA C 436 43.988 45.788 -1.800 1 1 2147 . 1 1 1 A 223 223 GLY N N 436 105.931 108.853 -2.922 1 1 2148 . 1 1 1 A 224 224 ASP H H 437 6.891 7.793 -0.902 1 1 2149 . 1 1 1 A 224 224 ASP HA H 437 4.500 4.782 -0.282 1 1 2151 . 1 1 1 A 224 224 ASP C C 437 173.806 176.254 -2.448 1 1 2152 . 1 1 1 A 224 224 ASP CA C 437 54.576 54.486 0.090 1 1 2153 . 1 1 1 A 224 224 ASP CB C 437 40.588 41.777 -1.189 1 1 2154 . 1 1 1 A 224 224 ASP N N 437 119.342 121.234 -1.892 1 1 2155 . 1 1 1 A 225 225 ASP H H 438 8.054 8.617 -0.563 1 1 2156 . 1 1 1 A 225 225 ASP HA H 438 4.912 4.721 0.191 1 1 2159 . 1 1 1 A 225 225 ASP C C 438 175.631 176.694 -1.063 1 1 2160 . 1 1 1 A 225 225 ASP CA C 438 52.579 53.609 -1.030 1 1 2161 . 1 1 1 A 225 225 ASP CB C 438 42.616 41.914 0.702 1 1 2162 . 1 1 1 A 225 225 ASP N N 438 117.877 121.307 -3.430 1 1 2163 . 1 1 1 A 226 226 ILE H H 439 9.101 8.685 0.416 1 1 2164 . 1 1 1 A 226 226 ILE HA H 439 3.621 4.299 -0.678 1 1 2174 . 1 1 1 A 226 226 ILE C C 439 176.146 177.175 -1.029 1 1 2175 . 1 1 1 A 226 226 ILE CA C 439 62.602 61.824 0.778 1 1 2176 . 1 1 1 A 226 226 ILE CB C 439 36.530 38.563 -2.033 1 1 2180 . 1 1 1 A 226 226 ILE N N 439 118.352 121.957 -3.605 1 1 2181 . 1 1 1 A 227 227 LEU H H 440 7.814 7.745 0.069 1 1 2182 . 1 1 1 A 227 227 LEU HA H 440 3.918 3.970 -0.052 1 1 2192 . 1 1 1 A 227 227 LEU C C 440 179.397 178.367 1.030 1 1 2193 . 1 1 1 A 227 227 LEU CA C 440 58.566 57.132 1.434 1 1 2194 . 1 1 1 A 227 227 LEU CB C 440 40.819 42.086 -1.267 1 1 2198 . 1 1 1 A 227 227 LEU N N 440 119.906 122.703 -2.797 1 1 2199 . 1 1 1 A 228 228 THR H H 441 7.665 7.771 -0.106 1 1 2200 . 1 1 1 A 228 228 THR HA H 441 4.289 4.357 -0.068 1 1 2205 . 1 1 1 A 228 228 THR C C 441 179.489 175.150 4.339 1 1 2206 . 1 1 1 A 228 228 THR CA C 441 61.837 62.171 -0.334 1 1 2207 . 1 1 1 A 228 228 THR CB C 441 69.979 69.561 0.418 1 1 2209 . 1 1 1 A 228 228 THR N N 441 120.011 111.504 8.507 1 1 2210 . 1 1 1 A 229 229 ILE H H 442 7.807 7.828 -0.021 1 1 2211 . 1 1 1 A 229 229 ILE HA H 442 3.300 3.970 -0.670 1 1 2221 . 1 1 1 A 229 229 ILE C C 442 177.728 178.577 -0.849 1 1 2222 . 1 1 1 A 229 229 ILE CA C 442 66.069 63.428 2.641 1 1 2223 . 1 1 1 A 229 229 ILE CB C 442 38.260 38.001 0.259 1 1 2227 . 1 1 1 A 229 229 ILE N N 442 119.411 122.412 -3.001 1 1 2228 . 1 1 1 A 230 230 LEU H H 443 8.530 8.078 0.452 1 1 2229 . 1 1 1 A 230 230 LEU HA H 443 3.958 4.182 -0.224 1 1 2239 . 1 1 1 A 230 230 LEU C C 443 178.689 177.310 1.379 1 1 2240 . 1 1 1 A 230 230 LEU CA C 443 57.697 57.346 0.351 1 1 2241 . 1 1 1 A 230 230 LEU CB C 443 42.191 42.201 -0.010 1 1 2245 . 1 1 1 A 230 230 LEU N N 443 116.186 119.358 -3.172 1 1 2246 . 1 1 1 A 231 231 THR H H 444 8.008 7.681 0.327 1 1 2247 . 1 1 1 A 231 231 THR HA H 444 4.153 4.319 -0.166 1 1 2252 . 1 1 1 A 231 231 THR C C 444 175.208 175.313 -0.105 1 1 2253 . 1 1 1 A 231 231 THR CA C 444 65.327 60.858 4.469 1 1 2254 . 1 1 1 A 231 231 THR CB C 444 69.718 69.460 0.258 1 1 2256 . 1 1 1 A 231 231 THR N N 444 112.075 113.482 -1.407 1 1 2257 . 1 1 1 A 232 232 GLU H H 445 7.717 8.696 -0.979 1 1 2258 . 1 1 1 A 232 232 GLU HA H 445 4.186 4.045 0.141 1 1 2259 . 1 1 1 A 232 232 GLU C C 445 177.156 178.097 -0.941 1 1 2260 . 1 1 1 A 232 232 GLU CA C 445 57.891 59.033 -1.142 1 1 2261 . 1 1 1 A 232 232 GLU CB C 445 28.836 29.148 -0.312 1 1 2263 . 1 1 1 A 232 232 GLU N N 445 120.074 120.408 -0.334 1 1 2294 . 1 1 1 A 252 252 GLN H H 465 8.586 8.463 0.123 1 1 2295 . 1 1 1 A 252 252 GLN HA H 465 4.689 4.787 -0.098 1 1 2296 . 1 1 1 A 252 252 GLN C C 465 174.446 175.634 -1.188 1 1 2297 . 1 1 1 A 252 252 GLN CA C 465 53.682 53.487 0.195 1 1 2298 . 1 1 1 A 252 252 GLN CB C 465 28.537 28.668 -0.131 1 1 2300 . 1 1 1 A 252 252 GLN N N 465 121.782 116.696 5.086 1 1 2301 . 1 1 1 A 253 253 PRO HA H 466 4.902 4.335 0.567 1 1 2302 . 1 1 1 A 253 253 PRO C C 466 174.937 176.186 -1.249 1 1 2303 . 1 1 1 A 253 253 PRO CA C 466 63.075 62.575 0.500 1 1 2304 . 1 1 1 A 253 253 PRO CB C 466 32.384 32.266 0.118 1 1 2307 . 1 1 1 A 254 254 THR H H 467 8.556 8.089 0.467 1 1 2308 . 1 1 1 A 254 254 THR HA H 467 4.659 4.529 0.130 1 1 2313 . 1 1 1 A 254 254 THR C C 467 172.995 173.833 -0.838 1 1 2314 . 1 1 1 A 254 254 THR CA C 467 61.740 61.782 -0.042 1 1 2315 . 1 1 1 A 254 254 THR CB C 467 70.195 67.443 2.752 1 1 2317 . 1 1 1 A 254 254 THR N N 467 115.754 117.691 -1.937 1 1 2318 . 1 1 1 A 255 255 PHE H H 468 8.560 7.977 0.583 1 1 2319 . 1 1 1 A 255 255 PHE HA H 468 5.502 5.514 -0.012 1 1 2322 . 1 1 1 A 255 255 PHE C C 468 173.198 173.290 -0.092 1 1 2323 . 1 1 1 A 255 255 PHE CA C 468 56.283 55.878 0.405 1 1 2324 . 1 1 1 A 255 255 PHE CB C 468 43.426 42.737 0.689 1 1 2325 . 1 1 1 A 255 255 PHE N N 468 120.481 122.755 -2.274 1 1 2326 . 1 1 1 A 256 256 THR H H 469 9.702 8.864 0.838 1 1 2327 . 1 1 1 A 256 256 THR HA H 469 4.662 4.997 -0.335 1 1 2332 . 1 1 1 A 256 256 THR C C 469 176.561 173.462 3.099 1 1 2333 . 1 1 1 A 256 256 THR CA C 469 59.948 60.493 -0.545 1 1 2334 . 1 1 1 A 256 256 THR CB C 469 69.145 70.825 -1.680 1 1 2336 . 1 1 1 A 256 256 THR N N 469 108.601 111.878 -3.277 1 1 2337 . 1 1 1 A 257 257 LEU H H 470 7.235 8.953 -1.718 1 1 2338 . 1 1 1 A 257 257 LEU HA H 470 4.401 4.957 -0.556 1 1 2348 . 1 1 1 A 257 257 LEU C C 470 175.975 176.359 -0.384 1 1 2349 . 1 1 1 A 257 257 LEU CA C 470 55.492 53.662 1.830 1 1 2350 . 1 1 1 A 257 257 LEU CB C 470 41.850 46.680 -4.830 1 1 2354 . 1 1 1 A 257 257 LEU N N 470 120.802 127.400 -6.598 1 1 2355 . 1 1 1 A 258 258 ARG H H 471 8.228 8.634 -0.406 1 1 2356 . 1 1 1 A 258 258 ARG HA H 471 4.631 4.662 -0.031 1 1 2363 . 1 1 1 A 258 258 ARG C C 471 174.114 176.000 -1.886 1 1 2364 . 1 1 1 A 258 258 ARG CA C 471 55.071 56.084 -1.013 1 1 2365 . 1 1 1 A 258 258 ARG CB C 471 32.470 32.135 0.335 1 1 2368 . 1 1 1 A 258 258 ARG N N 471 118.883 119.520 -0.637 1 1 2369 . 1 1 1 A 259 259 LYS H H 472 7.217 7.669 -0.452 1 1 2370 . 1 1 1 A 259 259 LYS HA H 472 4.260 4.709 -0.449 1 1 2379 . 1 1 1 A 259 259 LYS C C 472 174.571 175.051 -0.480 1 1 2380 . 1 1 1 A 259 259 LYS CA C 472 53.269 54.534 -1.265 1 1 2381 . 1 1 1 A 259 259 LYS CB C 472 36.332 37.030 -0.698 1 1 2385 . 1 1 1 A 259 259 LYS N N 472 116.031 118.044 -2.013 1 1 2386 . 1 1 1 A 260 260 LYS H H 473 8.357 8.409 -0.052 1 1 2387 . 1 1 1 A 260 260 LYS HA H 473 4.297 4.453 -0.156 1 1 2396 . 1 1 1 A 260 260 LYS C C 473 174.137 175.668 -1.531 1 1 2397 . 1 1 1 A 260 260 LYS CA C 473 57.258 56.413 0.845 1 1 2398 . 1 1 1 A 260 260 LYS CB C 473 33.561 32.652 0.909 1 1 2402 . 1 1 1 A 260 260 LYS N N 473 119.377 122.352 -2.975 1 1 2403 . 1 1 1 A 261 261 LEU H H 474 9.288 8.818 0.470 1 1 2404 . 1 1 1 A 261 261 LEU HA H 474 5.048 4.741 0.307 1 1 2414 . 1 1 1 A 261 261 LEU C C 474 172.558 174.646 -2.088 1 1 2415 . 1 1 1 A 261 261 LEU CA C 474 53.327 54.185 -0.858 1 1 2416 . 1 1 1 A 261 261 LEU CB C 474 44.313 42.978 1.335 1 1 2420 . 1 1 1 A 261 261 LEU N N 474 126.482 129.413 -2.931 1 1 2421 . 1 1 1 A 262 262 VAL H H 475 8.876 8.858 0.018 1 1 2422 . 1 1 1 A 262 262 VAL HA H 475 4.238 4.694 -0.456 1 1 2430 . 1 1 1 A 262 262 VAL C C 475 174.243 175.101 -0.858 1 1 2431 . 1 1 1 A 262 262 VAL CA C 475 59.734 61.107 -1.373 1 1 2432 . 1 1 1 A 262 262 VAL CB C 475 34.790 34.064 0.726 1 1 2435 . 1 1 1 A 262 262 VAL N N 475 124.316 127.125 -2.809 1 1 2436 . 1 1 1 A 263 263 PHE H H 476 8.826 8.665 0.161 1 1 2437 . 1 1 1 A 263 263 PHE HA H 476 5.518 5.285 0.233 1 1 2443 . 1 1 1 A 263 263 PHE C C 476 171.887 173.599 -1.712 1 1 2444 . 1 1 1 A 263 263 PHE CA C 476 52.082 55.026 -2.944 1 1 2445 . 1 1 1 A 263 263 PHE CB C 476 39.792 39.667 0.125 1 1 2449 . 1 1 1 A 263 263 PHE N N 476 122.867 125.910 -3.043 1 1 2450 . 1 1 1 A 264 264 PRO HA H 477 4.649 4.824 -0.175 1 1 2457 . 1 1 1 A 264 264 PRO C C 477 178.322 177.137 1.185 1 1 2458 . 1 1 1 A 264 264 PRO CA C 477 62.333 63.013 -0.680 1 1 2459 . 1 1 1 A 264 264 PRO CB C 477 32.553 33.328 -0.775 1 1 2462 . 1 1 1 A 265 265 SER H H 478 8.763 8.803 -0.040 1 1 2463 . 1 1 1 A 265 265 SER HA H 478 4.494 4.628 -0.134 1 1 2466 . 1 1 1 A 265 265 SER C C 478 173.725 174.679 -0.954 1 1 2467 . 1 1 1 A 265 265 SER CA C 478 59.060 60.589 -1.529 1 1 2468 . 1 1 1 A 265 265 SER CB C 478 64.038 63.569 0.469 1 1 2469 . 1 1 1 A 265 265 SER N N 478 116.725 116.734 -0.009 1 1 17 . 2 1 1 A 12 12 VAL H H 225 7.819 8.328 -0.509 1 1 18 . 2 1 1 A 12 12 VAL HA H 225 4.946 3.859 1.087 1 1 26 . 2 1 1 A 12 12 VAL C C 225 175.898 176.266 -0.368 1 1 27 . 2 1 1 A 12 12 VAL CA C 225 59.650 62.657 -3.007 1 1 28 . 2 1 1 A 12 12 VAL CB C 225 35.296 31.698 3.598 1 1 31 . 2 1 1 A 12 12 VAL N N 225 117.637 121.508 -3.871 1 1 32 . 2 1 1 A 13 13 TYR H H 226 8.318 9.026 -0.708 1 1 33 . 2 1 1 A 13 13 TYR HA H 226 4.291 4.274 0.017 1 1 36 . 2 1 1 A 13 13 TYR C C 226 176.911 175.513 1.398 1 1 37 . 2 1 1 A 13 13 TYR CA C 226 60.063 59.038 1.025 1 1 38 . 2 1 1 A 13 13 TYR CB C 226 37.843 36.337 1.506 1 1 39 . 2 1 1 A 13 13 TYR N N 226 122.976 128.515 -5.539 1 1 40 . 2 1 1 A 14 14 GLN H H 227 9.128 7.296 1.832 1 1 41 . 2 1 1 A 14 14 GLN HA H 227 3.996 4.303 -0.307 1 1 46 . 2 1 1 A 14 14 GLN C C 227 175.052 176.020 -0.968 1 1 47 . 2 1 1 A 14 14 GLN CA C 227 57.421 55.080 2.341 1 1 48 . 2 1 1 A 14 14 GLN CB C 227 29.550 28.743 0.807 1 1 50 . 2 1 1 A 14 14 GLN N N 227 124.676 119.660 5.016 1 1 51 . 2 1 1 A 15 15 MET H H 228 8.465 7.454 1.011 1 1 52 . 2 1 1 A 15 15 MET HA H 228 5.210 4.254 0.956 1 1 60 . 2 1 1 A 15 15 MET C C 228 172.979 175.382 -2.403 1 1 61 . 2 1 1 A 15 15 MET CA C 228 52.955 54.216 -1.261 1 1 62 . 2 1 1 A 15 15 MET CB C 228 30.751 31.388 -0.637 1 1 65 . 2 1 1 A 15 15 MET N N 228 128.835 120.258 8.577 1 1 66 . 2 1 1 A 16 16 LYS H H 229 9.119 8.056 1.063 1 1 67 . 2 1 1 A 16 16 LYS HA H 229 4.558 4.987 -0.429 1 1 76 . 2 1 1 A 16 16 LYS C C 229 176.209 174.897 1.312 1 1 77 . 2 1 1 A 16 16 LYS CA C 229 55.916 54.925 0.991 1 1 78 . 2 1 1 A 16 16 LYS CB C 229 35.555 34.496 1.059 1 1 82 . 2 1 1 A 16 16 LYS N N 229 120.235 125.503 -5.268 1 1 83 . 2 1 1 A 17 17 SER H H 230 9.101 8.406 0.695 1 1 84 . 2 1 1 A 17 17 SER HA H 230 4.077 4.663 -0.586 1 1 87 . 2 1 1 A 17 17 SER C C 230 172.995 174.444 -1.449 1 1 88 . 2 1 1 A 17 17 SER CA C 230 59.615 57.021 2.594 1 1 89 . 2 1 1 A 17 17 SER CB C 230 64.482 65.727 -1.245 1 1 90 . 2 1 1 A 17 17 SER N N 230 121.500 118.170 3.330 1 1 91 . 2 1 1 A 18 18 LYS H H 231 8.120 8.895 -0.775 1 1 92 . 2 1 1 A 18 18 LYS HA H 231 4.373 4.086 0.287 1 1 101 . 2 1 1 A 18 18 LYS C C 231 173.565 177.126 -3.561 1 1 102 . 2 1 1 A 18 18 LYS CA C 231 53.231 61.401 -8.170 1 1 103 . 2 1 1 A 18 18 LYS CB C 231 34.596 31.078 3.518 1 1 107 . 2 1 1 A 18 18 LYS N N 231 120.561 120.360 0.201 1 1 108 . 2 1 1 A 19 19 PRO HA H 232 4.898 4.635 0.263 1 1 115 . 2 1 1 A 19 19 PRO C C 232 176.162 177.871 -1.709 1 1 116 . 2 1 1 A 19 19 PRO CA C 232 62.838 62.972 -0.134 1 1 117 . 2 1 1 A 19 19 PRO CB C 232 34.997 31.953 3.044 1 1 120 . 2 1 1 A 20 20 ARG H H 233 8.782 9.261 -0.479 1 1 121 . 2 1 1 A 20 20 ARG HA H 233 3.651 4.301 -0.650 1 1 122 . 2 1 1 A 20 20 ARG C C 233 175.210 176.539 -1.329 1 1 123 . 2 1 1 A 20 20 ARG CA C 233 56.621 58.406 -1.785 1 1 124 . 2 1 1 A 20 20 ARG CB C 233 30.581 31.233 -0.652 1 1 127 . 2 1 1 A 20 20 ARG N N 233 118.785 120.874 -2.089 1 1 128 . 2 1 1 A 21 21 GLY H H 234 6.490 7.634 -1.144 1 1 129 . 2 1 1 A 21 21 GLY HA2 H 234 4.312 4.212 0.100 1 1 130 . 2 1 1 A 21 21 GLY HA3 H 234 4.662 4.223 0.439 1 1 131 . 2 1 1 A 21 21 GLY C C 234 172.012 171.529 0.483 1 1 132 . 2 1 1 A 21 21 GLY CA C 234 43.743 45.891 -2.148 1 1 133 . 2 1 1 A 21 21 GLY N N 234 128.529 103.927 24.602 1 1 134 . 2 1 1 A 22 22 TYR H H 235 9.327 8.853 0.474 1 1 135 . 2 1 1 A 22 22 TYR HA H 235 5.260 5.208 0.052 1 1 140 . 2 1 1 A 22 22 TYR C C 235 173.931 174.093 -0.162 1 1 141 . 2 1 1 A 22 22 TYR CA C 235 58.287 55.919 2.368 1 1 142 . 2 1 1 A 22 22 TYR CB C 235 39.762 38.493 1.269 1 1 145 . 2 1 1 A 22 22 TYR N N 235 119.429 119.079 0.350 1 1 146 . 2 1 1 A 23 23 CYS H H 236 8.665 8.423 0.242 1 1 147 . 2 1 1 A 23 23 CYS HA H 236 4.928 4.560 0.368 1 1 148 . 2 1 1 A 23 23 CYS C C 236 172.970 174.635 -1.665 1 1 149 . 2 1 1 A 23 23 CYS CA C 236 55.636 58.755 -3.119 1 1 150 . 2 1 1 A 23 23 CYS CB C 236 50.040 28.742 21.298 1 1 151 . 2 1 1 A 23 23 CYS N N 236 120.485 123.161 -2.676 1 1 152 . 2 1 1 A 24 24 LEU H H 237 8.619 8.282 0.337 1 1 153 . 2 1 1 A 24 24 LEU HA H 237 4.691 5.022 -0.331 1 1 163 . 2 1 1 A 24 24 LEU C C 237 175.850 175.751 0.099 1 1 164 . 2 1 1 A 24 24 LEU CA C 237 54.053 53.519 0.534 1 1 165 . 2 1 1 A 24 24 LEU CB C 237 44.117 43.176 0.941 1 1 169 . 2 1 1 A 24 24 LEU N N 237 129.465 125.241 4.224 1 1 170 . 2 1 1 A 25 25 ILE H H 238 8.304 9.150 -0.846 1 1 171 . 2 1 1 A 25 25 ILE HA H 238 4.639 4.703 -0.064 1 1 179 . 2 1 1 A 25 25 ILE C C 238 174.032 174.710 -0.678 1 1 180 . 2 1 1 A 25 25 ILE CA C 238 60.879 60.766 0.113 1 1 181 . 2 1 1 A 25 25 ILE CB C 238 41.165 38.990 2.175 1 1 185 . 2 1 1 A 25 25 ILE N N 238 122.597 124.835 -2.238 1 1 186 . 2 1 1 A 26 26 ILE H H 239 9.025 8.982 0.043 1 1 187 . 2 1 1 A 26 26 ILE HA H 239 4.778 5.004 -0.226 1 1 197 . 2 1 1 A 26 26 ILE C C 239 173.104 174.539 -1.435 1 1 198 . 2 1 1 A 26 26 ILE CA C 239 60.733 60.197 0.536 1 1 199 . 2 1 1 A 26 26 ILE CB C 239 38.237 39.138 -0.901 1 1 203 . 2 1 1 A 26 26 ILE N N 239 129.303 128.099 1.204 1 1 204 . 2 1 1 A 27 27 ASN H H 240 8.957 8.981 -0.024 1 1 205 . 2 1 1 A 27 27 ASN HA H 240 5.174 5.342 -0.168 1 1 208 . 2 1 1 A 27 27 ASN C C 240 172.948 174.798 -1.850 1 1 209 . 2 1 1 A 27 27 ASN CA C 240 52.055 51.818 0.237 1 1 210 . 2 1 1 A 27 27 ASN CB C 240 40.530 41.995 -1.465 1 1 211 . 2 1 1 A 27 27 ASN N N 240 125.494 127.054 -1.560 1 1 212 . 2 1 1 A 28 28 ASN H H 241 9.118 8.803 0.315 1 1 213 . 2 1 1 A 28 28 ASN HA H 241 5.106 4.819 0.287 1 1 216 . 2 1 1 A 28 28 ASN C C 241 172.184 174.488 -2.304 1 1 217 . 2 1 1 A 28 28 ASN CA C 241 52.599 52.291 0.308 1 1 218 . 2 1 1 A 28 28 ASN CB C 241 38.296 39.578 -1.282 1 1 219 . 2 1 1 A 28 28 ASN N N 241 125.089 123.510 1.579 1 1 220 . 2 1 1 A 29 29 HIS H H 242 9.512 8.821 0.691 1 1 221 . 2 1 1 A 29 29 HIS HA H 242 4.384 4.751 -0.367 1 1 224 . 2 1 1 A 29 29 HIS C C 242 173.519 175.287 -1.768 1 1 225 . 2 1 1 A 29 29 HIS CA C 242 59.174 56.847 2.327 1 1 226 . 2 1 1 A 29 29 HIS CB C 242 28.022 32.710 -4.688 1 1 227 . 2 1 1 A 29 29 HIS N N 242 125.634 119.750 5.884 1 1 228 . 2 1 1 A 30 30 ASN H H 243 8.623 7.661 0.962 1 1 229 . 2 1 1 A 30 30 ASN HA H 243 4.148 4.396 -0.248 1 1 234 . 2 1 1 A 30 30 ASN C C 243 175.052 175.935 -0.883 1 1 235 . 2 1 1 A 30 30 ASN CA C 243 53.229 53.875 -0.646 1 1 236 . 2 1 1 A 30 30 ASN CB C 243 38.980 38.571 0.409 1 1 237 . 2 1 1 A 30 30 ASN N N 243 119.059 116.446 2.613 1 1 239 . 2 1 1 A 31 31 PHE H H 244 8.676 7.698 0.978 1 1 240 . 2 1 1 A 31 31 PHE HA H 244 4.686 4.925 -0.239 1 1 243 . 2 1 1 A 31 31 PHE C C 244 174.399 176.618 -2.219 1 1 244 . 2 1 1 A 31 31 PHE CA C 244 57.688 56.947 0.741 1 1 245 . 2 1 1 A 31 31 PHE CB C 244 39.026 39.985 -0.959 1 1 246 . 2 1 1 A 31 31 PHE N N 244 124.091 120.114 3.977 1 1 247 . 2 1 1 A 32 32 ALA H H 245 8.244 7.405 0.839 1 1 248 . 2 1 1 A 32 32 ALA HA H 245 3.869 4.075 -0.206 1 1 252 . 2 1 1 A 32 32 ALA C C 245 180.452 179.015 1.437 1 1 253 . 2 1 1 A 32 32 ALA CA C 245 56.274 55.123 1.151 1 1 254 . 2 1 1 A 32 32 ALA CB C 245 18.181 18.637 -0.456 1 1 255 . 2 1 1 A 32 32 ALA N N 245 122.713 124.522 -1.809 1 1 256 . 2 1 1 A 33 33 LYS H H 246 8.964 8.695 0.269 1 1 257 . 2 1 1 A 33 33 LYS HA H 246 4.089 4.439 -0.350 1 1 266 . 2 1 1 A 33 33 LYS C C 246 177.441 177.467 -0.026 1 1 267 . 2 1 1 A 33 33 LYS CA C 246 58.632 56.199 2.433 1 1 268 . 2 1 1 A 33 33 LYS CB C 246 30.418 32.373 -1.955 1 1 272 . 2 1 1 A 33 33 LYS N N 246 116.888 116.062 0.826 1 1 273 . 2 1 1 A 34 34 ALA H H 247 7.088 7.716 -0.628 1 1 274 . 2 1 1 A 34 34 ALA HA H 247 3.752 4.325 -0.573 1 1 278 . 2 1 1 A 34 34 ALA C C 247 177.581 179.346 -1.765 1 1 279 . 2 1 1 A 34 34 ALA CA C 247 55.502 53.584 1.918 1 1 280 . 2 1 1 A 34 34 ALA CB C 247 18.099 19.377 -1.278 1 1 281 . 2 1 1 A 34 34 ALA N N 247 122.047 121.786 0.261 1 1 282 . 2 1 1 A 35 35 ARG H H 248 7.706 8.207 -0.501 1 1 283 . 2 1 1 A 35 35 ARG HA H 248 4.338 4.046 0.292 1 1 292 . 2 1 1 A 35 35 ARG C C 248 179.094 179.016 0.078 1 1 293 . 2 1 1 A 35 35 ARG CA C 248 56.283 59.481 -3.198 1 1 294 . 2 1 1 A 35 35 ARG CB C 248 30.668 29.829 0.839 1 1 297 . 2 1 1 A 35 35 ARG N N 248 112.008 119.725 -7.717 1 1 299 . 2 1 1 A 36 36 GLU H H 249 7.707 8.111 -0.404 1 1 300 . 2 1 1 A 36 36 GLU HA H 249 4.121 4.093 0.028 1 1 305 . 2 1 1 A 36 36 GLU C C 249 178.205 177.599 0.606 1 1 306 . 2 1 1 A 36 36 GLU CA C 249 58.194 58.856 -0.662 1 1 307 . 2 1 1 A 36 36 GLU CB C 249 30.596 29.284 1.312 1 1 309 . 2 1 1 A 36 36 GLU N N 249 116.945 118.370 -1.425 1 1 310 . 2 1 1 A 37 37 LYS H H 250 7.954 7.453 0.501 1 1 311 . 2 1 1 A 37 37 LYS HA H 250 4.381 4.413 -0.032 1 1 320 . 2 1 1 A 37 37 LYS C C 250 176.772 176.651 0.121 1 1 321 . 2 1 1 A 37 37 LYS CA C 250 57.323 56.846 0.477 1 1 322 . 2 1 1 A 37 37 LYS CB C 250 34.892 34.555 0.337 1 1 326 . 2 1 1 A 37 37 LYS N N 250 114.798 117.346 -2.548 1 1 327 . 2 1 1 A 38 38 VAL H H 251 8.298 8.263 0.035 1 1 328 . 2 1 1 A 38 38 VAL HA H 251 4.582 4.639 -0.057 1 1 336 . 2 1 1 A 38 38 VAL C C 251 174.903 174.306 0.597 1 1 337 . 2 1 1 A 38 38 VAL CA C 251 60.316 58.935 1.381 1 1 338 . 2 1 1 A 38 38 VAL CB C 251 32.374 32.116 0.258 1 1 341 . 2 1 1 A 38 38 VAL N N 251 120.907 119.385 1.522 1 1 342 . 2 1 1 A 40 40 LYS H H 253 8.588 8.877 -0.289 1 1 343 . 2 1 1 A 40 40 LYS HA H 253 4.275 4.327 -0.052 1 1 352 . 2 1 1 A 40 40 LYS C C 253 176.447 177.165 -0.718 1 1 353 . 2 1 1 A 40 40 LYS CA C 253 58.550 58.116 0.434 1 1 354 . 2 1 1 A 40 40 LYS CB C 253 31.568 31.332 0.236 1 1 358 . 2 1 1 A 40 40 LYS N N 253 113.861 116.082 -2.221 1 1 359 . 2 1 1 A 41 41 LEU H H 254 7.948 7.581 0.367 1 1 360 . 2 1 1 A 41 41 LEU HA H 254 4.391 4.262 0.129 1 1 370 . 2 1 1 A 41 41 LEU C C 254 175.989 176.466 -0.477 1 1 371 . 2 1 1 A 41 41 LEU CA C 254 53.279 54.358 -1.079 1 1 372 . 2 1 1 A 41 41 LEU CB C 254 40.369 41.194 -0.825 1 1 376 . 2 1 1 A 41 41 LEU N N 254 118.998 118.587 0.411 1 1 377 . 2 1 1 A 42 42 HIS H H 255 7.167 7.166 0.001 1 1 378 . 2 1 1 A 42 42 HIS HA H 255 4.376 4.488 -0.112 1 1 382 . 2 1 1 A 42 42 HIS C C 255 174.836 175.310 -0.474 1 1 383 . 2 1 1 A 42 42 HIS CA C 255 59.188 56.640 2.548 1 1 384 . 2 1 1 A 42 42 HIS CB C 255 30.311 29.448 0.863 1 1 386 . 2 1 1 A 42 42 HIS N N 255 116.251 118.693 -2.442 1 1 387 . 2 1 1 A 43 43 SER H H 256 7.735 8.824 -1.089 1 1 388 . 2 1 1 A 43 43 SER HA H 256 4.490 3.954 0.536 1 1 391 . 2 1 1 A 43 43 SER C C 256 174.045 175.015 -0.970 1 1 392 . 2 1 1 A 43 43 SER CA C 256 56.420 58.901 -2.481 1 1 393 . 2 1 1 A 43 43 SER CB C 256 64.093 61.234 2.859 1 1 394 . 2 1 1 A 43 43 SER N N 256 110.725 115.316 -4.591 1 1 395 . 2 1 1 A 44 44 ILE H H 257 7.403 8.010 -0.607 1 1 396 . 2 1 1 A 44 44 ILE HA H 257 3.806 4.302 -0.496 1 1 406 . 2 1 1 A 44 44 ILE C C 257 174.321 175.103 -0.782 1 1 407 . 2 1 1 A 44 44 ILE CA C 257 61.640 60.167 1.473 1 1 408 . 2 1 1 A 44 44 ILE CB C 257 38.324 37.411 0.913 1 1 412 . 2 1 1 A 44 44 ILE N N 257 124.717 118.922 5.795 1 1 413 . 2 1 1 A 45 45 ARG H H 258 8.043 7.432 0.611 1 1 414 . 2 1 1 A 45 45 ARG HA H 258 4.201 4.552 -0.351 1 1 421 . 2 1 1 A 45 45 ARG C C 258 177.535 175.879 1.656 1 1 422 . 2 1 1 A 45 45 ARG CA C 258 55.412 54.337 1.075 1 1 423 . 2 1 1 A 45 45 ARG CB C 258 31.546 31.548 -0.002 1 1 426 . 2 1 1 A 45 45 ARG N N 258 124.319 121.531 2.788 1 1 427 . 2 1 1 A 46 46 ASP H H 259 8.584 8.967 -0.383 1 1 428 . 2 1 1 A 46 46 ASP HA H 259 5.096 4.224 0.872 1 1 431 . 2 1 1 A 46 46 ASP C C 259 177.819 176.992 0.827 1 1 432 . 2 1 1 A 46 46 ASP CA C 259 55.248 57.938 -2.690 1 1 433 . 2 1 1 A 46 46 ASP CB C 259 39.614 40.466 -0.852 1 1 434 . 2 1 1 A 46 46 ASP N N 259 120.371 125.832 -5.461 1 1 435 . 2 1 1 A 47 47 ARG H H 260 8.632 8.080 0.552 1 1 442 . 2 1 1 A 47 47 ARG CA C 260 56.228 57.304 -1.076 1 1 443 . 2 1 1 A 47 47 ARG CB C 260 26.981 31.700 -4.719 1 1 445 . 2 1 1 A 47 47 ARG N N 260 123.120 116.060 7.060 1 1 447 . 2 1 1 A 51 51 HIS HA H 264 4.293 4.664 -0.371 1 1 451 . 2 1 1 A 51 51 HIS C C 264 178.002 175.951 2.051 1 1 452 . 2 1 1 A 51 51 HIS CA C 264 60.062 55.894 4.168 1 1 453 . 2 1 1 A 51 51 HIS CB C 264 29.109 30.700 -1.591 1 1 455 . 2 1 1 A 52 52 LEU H H 265 7.474 7.677 -0.203 1 1 456 . 2 1 1 A 52 52 LEU HA H 265 4.125 3.979 0.146 1 1 466 . 2 1 1 A 52 52 LEU C C 265 180.623 177.964 2.659 1 1 467 . 2 1 1 A 52 52 LEU CA C 265 56.921 56.291 0.630 1 1 468 . 2 1 1 A 52 52 LEU CB C 265 40.572 42.422 -1.850 1 1 472 . 2 1 1 A 52 52 LEU N N 265 122.692 120.668 2.024 1 1 473 . 2 1 1 A 53 53 ASP H H 266 6.993 8.113 -1.120 1 1 474 . 2 1 1 A 53 53 ASP C C 266 176.536 178.203 -1.667 1 1 475 . 2 1 1 A 53 53 ASP CA C 266 56.718 56.170 0.548 1 1 476 . 2 1 1 A 53 53 ASP CB C 266 39.787 41.629 -1.842 1 1 477 . 2 1 1 A 53 53 ASP N N 266 122.192 118.244 3.948 1 1 478 . 2 1 1 A 54 54 ALA H H 267 8.217 8.230 -0.013 1 1 479 . 2 1 1 A 54 54 ALA HA H 267 3.840 4.170 -0.330 1 1 483 . 2 1 1 A 54 54 ALA C C 267 180.507 179.964 0.543 1 1 484 . 2 1 1 A 54 54 ALA CA C 267 55.836 54.981 0.855 1 1 485 . 2 1 1 A 54 54 ALA CB C 267 17.386 18.831 -1.445 1 1 486 . 2 1 1 A 54 54 ALA N N 267 121.612 123.310 -1.698 1 1 487 . 2 1 1 A 55 55 GLY H H 268 8.481 8.244 0.237 1 1 488 . 2 1 1 A 55 55 GLY C C 268 174.929 176.145 -1.216 1 1 489 . 2 1 1 A 55 55 GLY CA C 268 46.546 47.208 -0.662 1 1 490 . 2 1 1 A 55 55 GLY N N 268 107.453 107.471 -0.018 1 1 491 . 2 1 1 A 56 56 ALA H H 269 7.759 7.969 -0.210 1 1 492 . 2 1 1 A 56 56 ALA HA H 269 4.190 4.050 0.140 1 1 496 . 2 1 1 A 56 56 ALA C C 269 180.493 180.217 0.276 1 1 497 . 2 1 1 A 56 56 ALA CA C 269 55.311 54.554 0.757 1 1 498 . 2 1 1 A 56 56 ALA CB C 269 17.951 18.771 -0.820 1 1 499 . 2 1 1 A 56 56 ALA N N 269 125.518 124.855 0.663 1 1 500 . 2 1 1 A 57 57 LEU H H 270 8.224 7.913 0.311 1 1 501 . 2 1 1 A 57 57 LEU HA H 270 3.840 4.146 -0.306 1 1 506 . 2 1 1 A 57 57 LEU C C 270 177.499 179.340 -1.841 1 1 507 . 2 1 1 A 57 57 LEU CA C 270 58.315 57.910 0.405 1 1 508 . 2 1 1 A 57 57 LEU CB C 270 43.182 41.898 1.284 1 1 511 . 2 1 1 A 57 57 LEU N N 270 121.610 119.959 1.651 1 1 512 . 2 1 1 A 58 58 THR H H 271 7.976 8.444 -0.468 1 1 513 . 2 1 1 A 58 58 THR HA H 271 4.432 4.044 0.388 1 1 518 . 2 1 1 A 58 58 THR C C 271 174.457 176.503 -2.046 1 1 519 . 2 1 1 A 58 58 THR CA C 271 68.788 66.852 1.936 1 1 520 . 2 1 1 A 58 58 THR CB C 271 67.557 69.004 -1.447 1 1 522 . 2 1 1 A 58 58 THR N N 271 115.528 116.250 -0.722 1 1 523 . 2 1 1 A 59 59 THR H H 272 8.085 8.830 -0.745 1 1 524 . 2 1 1 A 59 59 THR HA H 272 3.911 4.059 -0.148 1 1 529 . 2 1 1 A 59 59 THR C C 272 176.131 176.914 -0.783 1 1 530 . 2 1 1 A 59 59 THR CA C 272 65.908 65.542 0.366 1 1 531 . 2 1 1 A 59 59 THR CB C 272 69.045 68.796 0.249 1 1 533 . 2 1 1 A 59 59 THR N N 272 114.864 114.429 0.435 1 1 534 . 2 1 1 A 60 60 THR H H 273 7.875 7.569 0.306 1 1 535 . 2 1 1 A 60 60 THR HA H 273 3.423 3.712 -0.289 1 1 540 . 2 1 1 A 60 60 THR C C 273 175.166 175.948 -0.782 1 1 541 . 2 1 1 A 60 60 THR CA C 273 67.291 66.263 1.028 1 1 542 . 2 1 1 A 60 60 THR CB C 273 68.824 68.588 0.236 1 1 544 . 2 1 1 A 60 60 THR N N 273 116.718 116.953 -0.235 1 1 545 . 2 1 1 A 61 61 PHE H H 274 8.219 7.987 0.232 1 1 546 . 2 1 1 A 61 61 PHE HA H 274 4.213 4.625 -0.412 1 1 552 . 2 1 1 A 61 61 PHE C C 274 178.034 177.617 0.417 1 1 553 . 2 1 1 A 61 61 PHE CA C 274 63.308 58.890 4.418 1 1 554 . 2 1 1 A 61 61 PHE CB C 274 37.080 40.959 -3.879 1 1 558 . 2 1 1 A 61 61 PHE N N 274 114.721 116.918 -2.197 1 1 559 . 2 1 1 A 62 62 GLU H H 275 8.810 8.960 -0.150 1 1 560 . 2 1 1 A 62 62 GLU HA H 275 4.416 4.205 0.211 1 1 565 . 2 1 1 A 62 62 GLU C C 275 181.232 179.328 1.904 1 1 566 . 2 1 1 A 62 62 GLU CA C 275 60.190 59.936 0.254 1 1 567 . 2 1 1 A 62 62 GLU CB C 275 28.990 29.456 -0.466 1 1 569 . 2 1 1 A 62 62 GLU N N 275 123.787 121.734 2.053 1 1 570 . 2 1 1 A 63 63 GLU H H 276 7.698 8.273 -0.575 1 1 571 . 2 1 1 A 63 63 GLU HA H 276 3.871 3.999 -0.128 1 1 575 . 2 1 1 A 63 63 GLU C C 276 176.721 177.281 -0.560 1 1 576 . 2 1 1 A 63 63 GLU CA C 276 58.821 58.514 0.307 1 1 577 . 2 1 1 A 63 63 GLU CB C 276 29.251 28.366 0.885 1 1 579 . 2 1 1 A 63 63 GLU N N 276 120.707 116.997 3.710 1 1 580 . 2 1 1 A 64 64 LEU H H 277 6.708 8.094 -1.386 1 1 581 . 2 1 1 A 64 64 LEU HA H 277 4.148 4.140 0.008 1 1 589 . 2 1 1 A 64 64 LEU C C 277 174.571 175.991 -1.420 1 1 590 . 2 1 1 A 64 64 LEU CA C 277 54.060 55.019 -0.959 1 1 594 . 2 1 1 A 64 64 LEU N N 277 115.451 118.883 -3.432 1 1 595 . 2 1 1 A 65 65 HIS H H 278 7.388 8.213 -0.825 1 1 596 . 2 1 1 A 65 65 HIS HA H 278 4.259 4.220 0.039 1 1 599 . 2 1 1 A 65 65 HIS C C 278 174.571 173.911 0.660 1 1 600 . 2 1 1 A 65 65 HIS CA C 278 57.737 56.948 0.789 1 1 601 . 2 1 1 A 65 65 HIS CB C 278 26.020 26.707 -0.687 1 1 602 . 2 1 1 A 65 65 HIS N N 278 107.287 115.530 -8.243 1 1 603 . 2 1 1 A 66 66 PHE H H 279 8.554 7.990 0.564 1 1 604 . 2 1 1 A 66 66 PHE HA H 279 4.462 5.140 -0.678 1 1 610 . 2 1 1 A 66 66 PHE C C 279 174.258 173.096 1.162 1 1 611 . 2 1 1 A 66 66 PHE CA C 279 58.032 55.101 2.931 1 1 612 . 2 1 1 A 66 66 PHE CB C 279 39.809 41.502 -1.693 1 1 616 . 2 1 1 A 66 66 PHE N N 279 117.992 114.424 3.568 1 1 617 . 2 1 1 A 67 67 GLU H H 280 8.403 8.215 0.188 1 1 618 . 2 1 1 A 67 67 GLU HA H 280 4.631 4.119 0.512 1 1 621 . 2 1 1 A 67 67 GLU C C 280 174.640 174.770 -0.130 1 1 622 . 2 1 1 A 67 67 GLU CA C 280 55.467 56.833 -1.366 1 1 623 . 2 1 1 A 67 67 GLU CB C 280 30.671 29.731 0.940 1 1 625 . 2 1 1 A 67 67 GLU N N 280 120.980 119.577 1.403 1 1 626 . 2 1 1 A 68 68 ILE H H 281 8.988 8.481 0.507 1 1 627 . 2 1 1 A 68 68 ILE HA H 281 4.491 4.441 0.050 1 1 636 . 2 1 1 A 68 68 ILE C C 281 176.177 174.259 1.918 1 1 637 . 2 1 1 A 68 68 ILE CA C 281 59.688 59.797 -0.109 1 1 638 . 2 1 1 A 68 68 ILE CB C 281 35.090 41.337 -6.247 1 1 642 . 2 1 1 A 68 68 ILE N N 281 127.994 127.383 0.611 1 1 643 . 2 1 1 A 69 69 LYS H H 282 8.559 8.669 -0.110 1 1 644 . 2 1 1 A 69 69 LYS HA H 282 4.981 4.563 0.418 1 1 645 . 2 1 1 A 69 69 LYS CA C 282 50.465 53.313 -2.848 1 1 646 . 2 1 1 A 69 69 LYS CB C 282 32.762 32.418 0.344 1 1 649 . 2 1 1 A 69 69 LYS N N 282 126.350 125.201 1.149 1 1 650 . 2 1 1 A 70 70 PRO HA H 283 5.133 4.564 0.569 1 1 651 . 2 1 1 A 70 70 PRO C C 283 176.378 175.568 0.810 1 1 652 . 2 1 1 A 70 70 PRO CA C 283 62.027 62.722 -0.695 1 1 653 . 2 1 1 A 70 70 PRO CB C 283 32.856 31.185 1.671 1 1 655 . 2 1 1 A 71 71 HIS H H 284 8.967 8.875 0.092 1 1 656 . 2 1 1 A 71 71 HIS HA H 284 4.465 4.881 -0.416 1 1 660 . 2 1 1 A 71 71 HIS C C 284 172.714 173.419 -0.705 1 1 661 . 2 1 1 A 71 71 HIS CA C 284 55.994 55.018 0.976 1 1 662 . 2 1 1 A 71 71 HIS CB C 284 33.678 31.388 2.290 1 1 664 . 2 1 1 A 71 71 HIS N N 284 121.708 123.379 -1.671 1 1 665 . 2 1 1 A 72 72 ASP H H 285 8.625 8.945 -0.320 1 1 666 . 2 1 1 A 72 72 ASP HA H 285 5.695 5.301 0.394 1 1 669 . 2 1 1 A 72 72 ASP C C 285 175.881 176.135 -0.254 1 1 670 . 2 1 1 A 72 72 ASP CA C 285 53.201 53.002 0.199 1 1 671 . 2 1 1 A 72 72 ASP CB C 285 43.758 43.405 0.353 1 1 672 . 2 1 1 A 72 72 ASP N N 285 122.941 123.610 -0.669 1 1 673 . 2 1 1 A 73 73 ASP H H 286 9.212 8.943 0.269 1 1 674 . 2 1 1 A 73 73 ASP HA H 286 4.263 4.279 -0.016 1 1 676 . 2 1 1 A 73 73 ASP C C 286 174.368 174.929 -0.561 1 1 677 . 2 1 1 A 73 73 ASP CA C 286 56.488 55.000 1.488 1 1 678 . 2 1 1 A 73 73 ASP CB C 286 39.083 39.624 -0.541 1 1 679 . 2 1 1 A 73 73 ASP N N 286 119.175 121.917 -2.742 1 1 680 . 2 1 1 A 74 74 CYS H H 287 8.750 7.444 1.306 1 1 681 . 2 1 1 A 74 74 CYS HA H 287 4.854 4.816 0.038 1 1 684 . 2 1 1 A 74 74 CYS C C 287 176.146 173.735 2.411 1 1 685 . 2 1 1 A 74 74 CYS CA C 287 58.552 57.694 0.858 1 1 686 . 2 1 1 A 74 74 CYS CB C 287 53.204 28.494 24.710 1 1 687 . 2 1 1 A 74 74 CYS N N 287 119.631 117.682 1.949 1 1 688 . 2 1 1 A 75 75 THR H H 288 8.535 8.481 0.054 1 1 689 . 2 1 1 A 75 75 THR HA H 288 4.163 4.379 -0.216 1 1 694 . 2 1 1 A 75 75 THR C C 288 174.663 175.833 -1.170 1 1 695 . 2 1 1 A 75 75 THR CA C 288 61.353 62.940 -1.587 1 1 696 . 2 1 1 A 75 75 THR CB C 288 70.100 69.373 0.727 1 1 698 . 2 1 1 A 75 75 THR N N 288 115.998 121.106 -5.108 1 1 699 . 2 1 1 A 76 76 VAL H H 289 8.083 8.667 -0.584 1 1 700 . 2 1 1 A 76 76 VAL HA H 289 3.414 3.639 -0.225 1 1 708 . 2 1 1 A 76 76 VAL C C 289 176.443 176.484 -0.041 1 1 709 . 2 1 1 A 76 76 VAL CA C 289 69.066 65.101 3.965 1 1 710 . 2 1 1 A 76 76 VAL CB C 289 30.361 31.502 -1.141 1 1 713 . 2 1 1 A 76 76 VAL N N 289 120.599 126.139 -5.540 1 1 714 . 2 1 1 A 77 77 GLU H H 290 9.095 8.234 0.861 1 1 715 . 2 1 1 A 77 77 GLU HA H 290 4.027 3.786 0.241 1 1 720 . 2 1 1 A 77 77 GLU C C 290 179.172 178.515 0.657 1 1 721 . 2 1 1 A 77 77 GLU CA C 290 59.831 58.908 0.923 1 1 722 . 2 1 1 A 77 77 GLU CB C 290 29.493 29.502 -0.009 1 1 724 . 2 1 1 A 77 77 GLU N N 290 119.191 120.688 -1.497 1 1 725 . 2 1 1 A 78 78 GLN H H 291 7.523 7.687 -0.164 1 1 726 . 2 1 1 A 78 78 GLN HA H 291 4.079 4.128 -0.049 1 1 731 . 2 1 1 A 78 78 GLN C C 291 177.815 178.251 -0.436 1 1 732 . 2 1 1 A 78 78 GLN CA C 291 58.920 58.032 0.888 1 1 734 . 2 1 1 A 78 78 GLN N N 291 117.101 119.134 -2.033 1 1 735 . 2 1 1 A 79 79 ILE H H 292 8.368 7.720 0.648 1 1 736 . 2 1 1 A 79 79 ILE HA H 292 3.427 3.697 -0.270 1 1 746 . 2 1 1 A 79 79 ILE C C 292 177.133 178.048 -0.915 1 1 747 . 2 1 1 A 79 79 ILE CA C 292 67.132 64.670 2.462 1 1 748 . 2 1 1 A 79 79 ILE CB C 292 37.163 37.250 -0.087 1 1 752 . 2 1 1 A 79 79 ILE N N 292 120.006 120.084 -0.078 1 1 753 . 2 1 1 A 80 80 TYR H H 293 8.302 7.339 0.963 1 1 754 . 2 1 1 A 80 80 TYR HA H 293 4.179 4.441 -0.262 1 1 759 . 2 1 1 A 80 80 TYR C C 293 178.907 178.234 0.673 1 1 760 . 2 1 1 A 80 80 TYR CA C 293 61.737 60.291 1.446 1 1 761 . 2 1 1 A 80 80 TYR CB C 293 37.201 37.667 -0.466 1 1 764 . 2 1 1 A 80 80 TYR N N 293 116.291 120.610 -4.319 1 1 765 . 2 1 1 A 81 81 GLU H H 294 8.170 8.568 -0.398 1 1 766 . 2 1 1 A 81 81 GLU HA H 294 4.036 4.299 -0.263 1 1 771 . 2 1 1 A 81 81 GLU C C 294 178.414 177.216 1.198 1 1 772 . 2 1 1 A 81 81 GLU CA C 294 59.768 58.077 1.691 1 1 773 . 2 1 1 A 81 81 GLU CB C 294 29.489 29.271 0.218 1 1 775 . 2 1 1 A 81 81 GLU N N 294 120.325 119.008 1.317 1 1 776 . 2 1 1 A 82 82 ILE H H 295 8.501 7.885 0.616 1 1 777 . 2 1 1 A 82 82 ILE HA H 295 3.675 3.825 -0.150 1 1 787 . 2 1 1 A 82 82 ILE C C 295 177.751 177.936 -0.185 1 1 788 . 2 1 1 A 82 82 ILE CA C 295 65.288 63.670 1.618 1 1 789 . 2 1 1 A 82 82 ILE CB C 295 38.497 37.903 0.594 1 1 793 . 2 1 1 A 82 82 ILE N N 295 120.434 118.800 1.634 1 1 794 . 2 1 1 A 83 83 LEU H H 296 8.508 7.812 0.696 1 1 795 . 2 1 1 A 83 83 LEU HA H 296 4.289 3.563 0.726 1 1 805 . 2 1 1 A 83 83 LEU C C 296 178.393 179.762 -1.369 1 1 806 . 2 1 1 A 83 83 LEU CA C 296 58.937 57.393 1.544 1 1 807 . 2 1 1 A 83 83 LEU CB C 296 39.626 41.531 -1.905 1 1 811 . 2 1 1 A 83 83 LEU N N 296 116.807 120.572 -3.765 1 1 812 . 2 1 1 A 84 84 LYS H H 297 8.048 7.946 0.102 1 1 813 . 2 1 1 A 84 84 LYS HA H 297 3.967 4.129 -0.162 1 1 820 . 2 1 1 A 84 84 LYS C C 297 177.773 178.500 -0.727 1 1 821 . 2 1 1 A 84 84 LYS CA C 297 58.890 58.721 0.169 1 1 822 . 2 1 1 A 84 84 LYS CB C 297 31.169 31.374 -0.205 1 1 826 . 2 1 1 A 84 84 LYS N N 297 118.687 117.953 0.734 1 1 827 . 2 1 1 A 85 85 ILE H H 298 7.694 7.919 -0.225 1 1 828 . 2 1 1 A 85 85 ILE HA H 298 3.456 3.819 -0.363 1 1 838 . 2 1 1 A 85 85 ILE C C 298 179.100 178.043 1.057 1 1 839 . 2 1 1 A 85 85 ILE CA C 298 65.307 64.094 1.213 1 1 840 . 2 1 1 A 85 85 ILE CB C 298 36.965 36.925 0.040 1 1 844 . 2 1 1 A 85 85 ILE N N 298 118.157 120.370 -2.213 1 1 845 . 2 1 1 A 86 86 TYR H H 299 7.613 7.468 0.145 1 1 846 . 2 1 1 A 86 86 TYR HA H 299 4.103 4.540 -0.437 1 1 851 . 2 1 1 A 86 86 TYR C C 299 177.425 179.087 -1.662 1 1 852 . 2 1 1 A 86 86 TYR CA C 299 63.129 60.233 2.896 1 1 853 . 2 1 1 A 86 86 TYR CB C 299 38.745 37.937 0.808 1 1 856 . 2 1 1 A 86 86 TYR N N 299 115.499 120.230 -4.731 1 1 857 . 2 1 1 A 87 87 GLN H H 300 9.112 8.513 0.599 1 1 858 . 2 1 1 A 87 87 GLN HA H 300 3.977 4.219 -0.242 1 1 861 . 2 1 1 A 87 87 GLN C C 300 176.380 177.659 -1.279 1 1 862 . 2 1 1 A 87 87 GLN CA C 300 58.976 58.439 0.537 1 1 863 . 2 1 1 A 87 87 GLN CB C 300 28.819 27.899 0.920 1 1 865 . 2 1 1 A 87 87 GLN N N 300 125.039 117.318 7.721 1 1 866 . 2 1 1 A 88 88 LEU H H 301 7.536 7.992 -0.456 1 1 867 . 2 1 1 A 88 88 LEU HA H 301 4.309 4.188 0.121 1 1 877 . 2 1 1 A 88 88 LEU C C 301 177.129 179.730 -2.601 1 1 878 . 2 1 1 A 88 88 LEU CA C 301 55.142 57.455 -2.313 1 1 879 . 2 1 1 A 88 88 LEU CB C 301 41.809 41.110 0.699 1 1 883 . 2 1 1 A 88 88 LEU N N 301 115.623 121.488 -5.865 1 1 884 . 2 1 1 A 89 89 MET H H 302 7.025 8.283 -1.258 1 1 885 . 2 1 1 A 89 89 MET HA H 302 4.031 3.994 0.037 1 1 893 . 2 1 1 A 89 89 MET C C 302 172.664 175.960 -3.296 1 1 894 . 2 1 1 A 89 89 MET CA C 302 55.513 59.016 -3.503 1 1 895 . 2 1 1 A 89 89 MET CB C 302 33.748 32.821 0.927 1 1 898 . 2 1 1 A 89 89 MET N N 302 120.789 118.201 2.588 1 1 899 . 2 1 1 A 90 90 ASP H H 303 8.056 7.631 0.425 1 1 900 . 2 1 1 A 90 90 ASP HA H 303 4.746 4.370 0.376 1 1 903 . 2 1 1 A 90 90 ASP C C 303 177.139 175.973 1.166 1 1 904 . 2 1 1 A 90 90 ASP CA C 303 54.411 54.796 -0.385 1 1 905 . 2 1 1 A 90 90 ASP CB C 303 40.987 39.112 1.875 1 1 906 . 2 1 1 A 90 90 ASP N N 303 117.873 118.798 -0.925 1 1 907 . 2 1 1 A 91 91 HIS H H 304 9.371 8.210 1.161 1 1 908 . 2 1 1 A 91 91 HIS HA H 304 4.657 4.176 0.481 1 1 912 . 2 1 1 A 91 91 HIS C C 304 177.332 175.344 1.988 1 1 913 . 2 1 1 A 91 91 HIS CA C 304 56.031 59.462 -3.431 1 1 914 . 2 1 1 A 91 91 HIS CB C 304 31.150 29.440 1.710 1 1 916 . 2 1 1 A 91 91 HIS N N 304 126.666 118.300 8.366 1 1 917 . 2 1 1 A 92 92 SER H H 305 8.952 8.258 0.694 1 1 918 . 2 1 1 A 92 92 SER HA H 305 4.055 4.011 0.044 1 1 921 . 2 1 1 A 92 92 SER CA C 305 63.687 59.617 4.070 1 1 922 . 2 1 1 A 92 92 SER CB C 305 62.694 62.528 0.166 1 1 923 . 2 1 1 A 92 92 SER N N 305 118.610 114.201 4.409 1 1 924 . 2 1 1 A 93 93 ASN H H 306 8.745 7.885 0.860 1 1 925 . 2 1 1 A 93 93 ASN HA H 306 4.803 4.838 -0.035 1 1 928 . 2 1 1 A 93 93 ASN C C 306 173.428 174.515 -1.087 1 1 929 . 2 1 1 A 93 93 ASN CA C 306 53.018 52.963 0.055 1 1 930 . 2 1 1 A 93 93 ASN CB C 306 38.033 41.656 -3.623 1 1 931 . 2 1 1 A 93 93 ASN N N 306 116.257 118.556 -2.299 1 1 932 . 2 1 1 A 94 94 MET H H 307 7.942 8.964 -1.022 1 1 933 . 2 1 1 A 94 94 MET HA H 307 4.683 4.040 0.643 1 1 939 . 2 1 1 A 94 94 MET C C 307 174.640 176.500 -1.860 1 1 940 . 2 1 1 A 94 94 MET CA C 307 53.564 56.142 -2.578 1 1 941 . 2 1 1 A 94 94 MET CB C 307 33.988 31.178 2.810 1 1 944 . 2 1 1 A 94 94 MET N N 307 117.799 124.478 -6.679 1 1 945 . 2 1 1 A 95 95 ASP H H 308 8.276 8.333 -0.057 1 1 946 . 2 1 1 A 95 95 ASP HA H 308 5.172 4.821 0.351 1 1 949 . 2 1 1 A 95 95 ASP C C 308 176.264 175.833 0.431 1 1 950 . 2 1 1 A 95 95 ASP CA C 308 55.617 53.259 2.358 1 1 951 . 2 1 1 A 95 95 ASP CB C 308 45.114 40.395 4.719 1 1 952 . 2 1 1 A 95 95 ASP N N 308 119.567 117.163 2.404 1 1 953 . 2 1 1 A 96 96 CYS H H 309 8.215 7.301 0.914 1 1 954 . 2 1 1 A 96 96 CYS HA H 309 4.680 4.234 0.446 1 1 957 . 2 1 1 A 96 96 CYS C C 309 170.157 174.389 -4.232 1 1 958 . 2 1 1 A 96 96 CYS CA C 309 57.203 57.605 -0.402 1 1 959 . 2 1 1 A 96 96 CYS CB C 309 52.974 28.082 24.892 1 1 960 . 2 1 1 A 96 96 CYS N N 309 118.264 119.631 -1.367 1 1 961 . 2 1 1 A 97 97 PHE H H 310 8.108 8.022 0.086 1 1 962 . 2 1 1 A 97 97 PHE HA H 310 5.071 5.381 -0.310 1 1 967 . 2 1 1 A 97 97 PHE C C 310 171.279 172.397 -1.118 1 1 968 . 2 1 1 A 97 97 PHE CA C 310 57.910 56.319 1.591 1 1 969 . 2 1 1 A 97 97 PHE CB C 310 44.724 40.914 3.810 1 1 972 . 2 1 1 A 97 97 PHE N N 310 125.767 120.528 5.239 1 1 973 . 2 1 1 A 98 98 ILE H H 311 7.647 8.577 -0.930 1 1 974 . 2 1 1 A 98 98 ILE HA H 311 4.581 4.935 -0.354 1 1 984 . 2 1 1 A 98 98 ILE C C 311 172.012 174.853 -2.841 1 1 985 . 2 1 1 A 98 98 ILE CA C 311 58.312 59.541 -1.229 1 1 986 . 2 1 1 A 98 98 ILE CB C 311 39.964 40.897 -0.933 1 1 990 . 2 1 1 A 98 98 ILE N N 311 125.102 119.065 6.037 1 1 991 . 2 1 1 A 99 99 CYS H H 312 8.309 8.666 -0.357 1 1 992 . 2 1 1 A 99 99 CYS HA H 312 4.471 5.203 -0.732 1 1 993 . 2 1 1 A 99 99 CYS C C 312 171.965 173.800 -1.835 1 1 994 . 2 1 1 A 99 99 CYS CA C 312 56.347 57.380 -1.033 1 1 995 . 2 1 1 A 99 99 CYS CB C 312 51.093 28.879 22.214 1 1 996 . 2 1 1 A 99 99 CYS N N 312 124.548 124.040 0.508 1 1 997 . 2 1 1 A 100 100 CYS H H 313 9.116 8.883 0.233 1 1 998 . 2 1 1 A 100 100 CYS HA H 313 5.880 4.830 1.050 1 1 1001 . 2 1 1 A 100 100 CYS C C 313 173.635 174.328 -0.693 1 1 1002 . 2 1 1 A 100 100 CYS CA C 313 55.906 58.347 -2.441 1 1 1003 . 2 1 1 A 100 100 CYS CB C 313 52.685 28.244 24.441 1 1 1004 . 2 1 1 A 100 100 CYS N N 313 127.015 125.265 1.750 1 1 1005 . 2 1 1 A 101 101 ILE H H 314 8.896 7.393 1.503 1 1 1006 . 2 1 1 A 101 101 ILE HA H 314 4.737 4.237 0.500 1 1 1016 . 2 1 1 A 101 101 ILE C C 314 172.277 175.778 -3.501 1 1 1017 . 2 1 1 A 101 101 ILE CA C 314 60.937 60.954 -0.017 1 1 1018 . 2 1 1 A 101 101 ILE CB C 314 40.848 39.294 1.554 1 1 1022 . 2 1 1 A 101 101 ILE N N 314 121.994 119.701 2.293 1 1 1023 . 2 1 1 A 102 102 LEU H H 315 8.951 8.889 0.062 1 1 1024 . 2 1 1 A 102 102 LEU HA H 315 5.285 4.139 1.146 1 1 1029 . 2 1 1 A 102 102 LEU C C 315 174.789 177.796 -3.007 1 1 1030 . 2 1 1 A 102 102 LEU CA C 315 52.489 56.123 -3.634 1 1 1031 . 2 1 1 A 102 102 LEU CB C 315 40.041 40.264 -0.223 1 1 1034 . 2 1 1 A 102 102 LEU N N 315 127.404 120.848 6.556 1 1 1035 . 2 1 1 A 103 103 SER H H 316 9.096 8.245 0.851 1 1 1036 . 2 1 1 A 103 103 SER HA H 316 4.680 4.355 0.325 1 1 1039 . 2 1 1 A 103 103 SER C C 316 174.555 174.846 -0.291 1 1 1040 . 2 1 1 A 103 103 SER CA C 316 56.403 61.121 -4.718 1 1 1041 . 2 1 1 A 103 103 SER CB C 316 63.224 63.463 -0.239 1 1 1042 . 2 1 1 A 103 103 SER N N 316 113.273 111.914 1.359 1 1 1043 . 2 1 1 A 104 104 HIS H H 317 7.515 7.970 -0.455 1 1 1044 . 2 1 1 A 104 104 HIS HA H 317 5.214 4.860 0.354 1 1 1048 . 2 1 1 A 104 104 HIS C C 317 175.667 174.990 0.677 1 1 1049 . 2 1 1 A 104 104 HIS CA C 317 56.371 54.865 1.506 1 1 1050 . 2 1 1 A 104 104 HIS CB C 317 34.676 32.593 2.083 1 1 1052 . 2 1 1 A 104 104 HIS N N 317 114.740 118.738 -3.998 1 1 1053 . 2 1 1 A 105 105 GLY H H 318 8.368 8.390 -0.022 1 1 1054 . 2 1 1 A 105 105 GLY C C 318 169.470 172.491 -3.021 1 1 1055 . 2 1 1 A 105 105 GLY CA C 318 45.558 44.622 0.936 1 1 1056 . 2 1 1 A 105 105 GLY N N 318 107.330 110.122 -2.792 1 1 1057 . 2 1 1 A 106 106 ASP H H 319 7.943 8.499 -0.556 1 1 1058 . 2 1 1 A 106 106 ASP HA H 319 4.622 5.509 -0.887 1 1 1061 . 2 1 1 A 106 106 ASP C C 319 175.179 175.699 -0.520 1 1 1062 . 2 1 1 A 106 106 ASP CA C 319 53.188 52.430 0.758 1 1 1063 . 2 1 1 A 106 106 ASP CB C 319 43.555 45.016 -1.461 1 1 1064 . 2 1 1 A 106 106 ASP N N 319 116.893 118.395 -1.502 1 1 1065 . 2 1 1 A 107 107 LYS H H 320 9.376 8.699 0.677 1 1 1066 . 2 1 1 A 107 107 LYS HA H 320 3.956 4.477 -0.521 1 1 1075 . 2 1 1 A 107 107 LYS C C 320 176.864 177.522 -0.658 1 1 1076 . 2 1 1 A 107 107 LYS CA C 320 58.567 56.775 1.792 1 1 1077 . 2 1 1 A 107 107 LYS CB C 320 30.568 32.844 -2.276 1 1 1081 . 2 1 1 A 107 107 LYS N N 320 122.539 120.035 2.504 1 1 1082 . 2 1 1 A 108 108 GLY H H 321 9.025 7.996 1.029 1 1 1083 . 2 1 1 A 108 108 GLY C C 321 173.633 174.127 -0.494 1 1 1084 . 2 1 1 A 108 108 GLY CA C 321 45.491 45.236 0.255 1 1 1085 . 2 1 1 A 108 108 GLY N N 321 111.919 107.342 4.577 1 1 1086 . 2 1 1 A 109 109 ILE H H 322 8.157 7.420 0.737 1 1 1087 . 2 1 1 A 109 109 ILE HA H 322 4.994 4.943 0.051 1 1 1097 . 2 1 1 A 109 109 ILE C C 322 174.524 174.867 -0.343 1 1 1098 . 2 1 1 A 109 109 ILE CA C 322 59.009 58.611 0.398 1 1 1099 . 2 1 1 A 109 109 ILE CB C 322 43.375 41.453 1.922 1 1 1103 . 2 1 1 A 109 109 ILE N N 322 116.465 115.925 0.540 1 1 1104 . 2 1 1 A 110 110 ILE H H 323 8.443 8.292 0.151 1 1 1105 . 2 1 1 A 110 110 ILE HA H 323 4.530 4.326 0.204 1 1 1115 . 2 1 1 A 110 110 ILE C C 323 174.337 175.175 -0.838 1 1 1116 . 2 1 1 A 110 110 ILE CA C 323 58.547 61.458 -2.911 1 1 1117 . 2 1 1 A 110 110 ILE CB C 323 41.604 39.081 2.523 1 1 1121 . 2 1 1 A 110 110 ILE N N 323 116.661 123.817 -7.156 1 1 1122 . 2 1 1 A 111 111 TYR H H 324 8.584 8.828 -0.244 1 1 1123 . 2 1 1 A 111 111 TYR HA H 324 5.557 4.740 0.817 1 1 1128 . 2 1 1 A 111 111 TYR C C 324 178.528 175.176 3.352 1 1 1129 . 2 1 1 A 111 111 TYR CA C 324 56.571 57.059 -0.488 1 1 1130 . 2 1 1 A 111 111 TYR CB C 324 39.984 39.925 0.059 1 1 1133 . 2 1 1 A 111 111 TYR N N 324 119.472 126.265 -6.793 1 1 1134 . 2 1 1 A 112 112 GLY H H 325 8.522 8.536 -0.014 1 1 1135 . 2 1 1 A 112 112 GLY C C 325 174.755 173.307 1.448 1 1 1136 . 2 1 1 A 112 112 GLY CA C 325 43.145 46.319 -3.174 1 1 1137 . 2 1 1 A 112 112 GLY N N 325 107.078 107.307 -0.229 1 1 1138 . 2 1 1 A 113 113 THR H H 326 8.245 8.543 -0.298 1 1 1139 . 2 1 1 A 113 113 THR HA H 326 3.186 4.770 -1.584 1 1 1144 . 2 1 1 A 113 113 THR C C 326 173.264 175.860 -2.596 1 1 1145 . 2 1 1 A 113 113 THR CA C 326 64.857 63.692 1.165 1 1 1146 . 2 1 1 A 113 113 THR CB C 326 66.749 71.417 -4.668 1 1 1148 . 2 1 1 A 113 113 THR N N 326 113.146 119.333 -6.187 1 1 1149 . 2 1 1 A 114 114 ASP H H 327 8.801 8.385 0.416 1 1 1150 . 2 1 1 A 114 114 ASP HA H 327 4.099 4.431 -0.332 1 1 1153 . 2 1 1 A 114 114 ASP C C 327 176.262 178.800 -2.538 1 1 1154 . 2 1 1 A 114 114 ASP CA C 327 52.768 56.578 -3.810 1 1 1155 . 2 1 1 A 114 114 ASP CB C 327 39.312 40.467 -1.155 1 1 1156 . 2 1 1 A 114 114 ASP N N 327 112.026 121.113 -9.087 1 1 1157 . 2 1 1 A 115 115 GLY H H 328 8.462 7.951 0.511 1 1 1158 . 2 1 1 A 115 115 GLY HA2 H 328 4.010 3.887 0.123 1 1 1159 . 2 1 1 A 115 115 GLY HA3 H 328 4.010 3.901 0.109 1 1 1160 . 2 1 1 A 115 115 GLY C C 328 171.918 173.691 -1.773 1 1 1161 . 2 1 1 A 115 115 GLY CA C 328 45.463 45.084 0.379 1 1 1162 . 2 1 1 A 115 115 GLY N N 328 107.749 108.071 -0.322 1 1 1163 . 2 1 1 A 116 116 GLN H H 329 6.657 7.865 -1.208 1 1 1164 . 2 1 1 A 116 116 GLN HA H 329 4.441 4.952 -0.511 1 1 1170 . 2 1 1 A 116 116 GLN C C 329 174.196 174.174 0.022 1 1 1171 . 2 1 1 A 116 116 GLN CA C 329 55.204 54.357 0.847 1 1 1172 . 2 1 1 A 116 116 GLN CB C 329 28.541 33.163 -4.622 1 1 1174 . 2 1 1 A 116 116 GLN N N 329 115.146 118.077 -2.931 1 1 1176 . 2 1 1 A 117 117 GLU H H 330 8.624 8.870 -0.246 1 1 1177 . 2 1 1 A 117 117 GLU HA H 330 4.733 4.941 -0.208 1 1 1178 . 2 1 1 A 117 117 GLU C C 330 175.357 175.872 -0.515 1 1 1179 . 2 1 1 A 117 117 GLU CA C 330 55.191 54.745 0.446 1 1 1180 . 2 1 1 A 117 117 GLU CB C 330 32.586 33.365 -0.779 1 1 1182 . 2 1 1 A 117 117 GLU N N 330 119.031 119.881 -0.850 1 1 1183 . 2 1 1 A 118 118 ALA H H 331 8.995 8.688 0.307 1 1 1184 . 2 1 1 A 118 118 ALA HA H 331 5.165 4.083 1.082 1 1 1188 . 2 1 1 A 118 118 ALA C C 331 173.650 176.764 -3.114 1 1 1189 . 2 1 1 A 118 118 ALA CA C 331 48.343 54.233 -5.890 1 1 1190 . 2 1 1 A 118 118 ALA CB C 331 20.353 18.112 2.241 1 1 1191 . 2 1 1 A 118 118 ALA N N 331 123.550 121.180 2.370 1 1 1192 . 2 1 1 A 119 119 PRO HA H 332 4.819 4.762 0.057 1 1 1193 . 2 1 1 A 119 119 PRO C C 332 177.819 177.706 0.113 1 1 1194 . 2 1 1 A 119 119 PRO CA C 332 62.007 62.408 -0.401 1 1 1195 . 2 1 1 A 119 119 PRO CB C 332 32.081 30.619 1.462 1 1 1197 . 2 1 1 A 120 120 ILE H H 333 8.574 8.582 -0.008 1 1 1198 . 2 1 1 A 120 120 ILE HA H 333 3.278 3.949 -0.671 1 1 1206 . 2 1 1 A 120 120 ILE C C 333 177.316 177.257 0.059 1 1 1207 . 2 1 1 A 120 120 ILE CA C 333 66.025 64.152 1.873 1 1 1208 . 2 1 1 A 120 120 ILE CB C 333 37.991 37.793 0.198 1 1 1212 . 2 1 1 A 120 120 ILE N N 333 126.740 126.042 0.698 1 1 1213 . 2 1 1 A 121 121 TYR H H 334 9.192 8.103 1.089 1 1 1214 . 2 1 1 A 121 121 TYR HA H 334 3.942 4.260 -0.318 1 1 1219 . 2 1 1 A 121 121 TYR C C 334 177.847 178.356 -0.509 1 1 1220 . 2 1 1 A 121 121 TYR CA C 334 60.688 60.516 0.172 1 1 1221 . 2 1 1 A 121 121 TYR CB C 334 38.803 37.938 0.865 1 1 1224 . 2 1 1 A 121 121 TYR N N 334 117.479 121.292 -3.813 1 1 1225 . 2 1 1 A 122 122 GLU H H 335 7.178 8.128 -0.950 1 1 1226 . 2 1 1 A 122 122 GLU HA H 335 3.751 4.203 -0.452 1 1 1228 . 2 1 1 A 122 122 GLU C C 335 176.427 179.218 -2.791 1 1 1229 . 2 1 1 A 122 122 GLU CA C 335 58.378 58.856 -0.478 1 1 1230 . 2 1 1 A 122 122 GLU CB C 335 29.477 30.049 -0.572 1 1 1232 . 2 1 1 A 122 122 GLU N N 335 115.885 120.414 -4.529 1 1 1233 . 2 1 1 A 123 123 LEU H H 336 7.440 8.052 -0.612 1 1 1234 . 2 1 1 A 123 123 LEU HA H 336 4.123 4.123 0.000 1 1 1244 . 2 1 1 A 123 123 LEU C C 336 177.925 179.359 -1.434 1 1 1245 . 2 1 1 A 123 123 LEU CA C 336 56.646 57.944 -1.298 1 1 1246 . 2 1 1 A 123 123 LEU CB C 336 40.661 41.779 -1.118 1 1 1250 . 2 1 1 A 123 123 LEU N N 336 115.934 120.546 -4.612 1 1 1251 . 2 1 1 A 124 124 THR H H 337 8.009 8.493 -0.484 1 1 1252 . 2 1 1 A 124 124 THR HA H 337 3.597 4.242 -0.645 1 1 1257 . 2 1 1 A 124 124 THR C C 337 177.568 174.751 2.817 1 1 1258 . 2 1 1 A 124 124 THR CA C 337 64.110 63.909 0.201 1 1 1259 . 2 1 1 A 124 124 THR CB C 337 67.603 68.733 -1.130 1 1 1261 . 2 1 1 A 124 124 THR N N 337 107.827 110.087 -2.260 1 1 1262 . 2 1 1 A 125 125 SER H H 338 7.435 7.561 -0.126 1 1 1263 . 2 1 1 A 125 125 SER HA H 338 3.723 4.273 -0.550 1 1 1266 . 2 1 1 A 125 125 SER C C 338 174.040 174.773 -0.733 1 1 1267 . 2 1 1 A 125 125 SER CA C 338 60.514 56.926 3.588 1 1 1268 . 2 1 1 A 125 125 SER CB C 338 62.391 63.351 -0.960 1 1 1269 . 2 1 1 A 125 125 SER N N 338 112.670 116.666 -3.996 1 1 1270 . 2 1 1 A 126 126 GLN H H 339 7.071 7.436 -0.365 1 1 1271 . 2 1 1 A 126 126 GLN HA H 339 3.850 4.195 -0.345 1 1 1276 . 2 1 1 A 126 126 GLN C C 339 173.915 177.358 -3.443 1 1 1277 . 2 1 1 A 126 126 GLN CA C 339 56.106 57.544 -1.438 1 1 1278 . 2 1 1 A 126 126 GLN CB C 339 27.028 29.030 -2.002 1 1 1280 . 2 1 1 A 126 126 GLN N N 339 117.347 121.130 -3.783 1 1 1281 . 2 1 1 A 127 127 PHE H H 340 7.355 7.091 0.264 1 1 1282 . 2 1 1 A 127 127 PHE HA H 340 4.515 4.811 -0.296 1 1 1285 . 2 1 1 A 127 127 PHE C C 340 175.241 176.015 -0.774 1 1 1286 . 2 1 1 A 127 127 PHE CA C 340 57.914 57.370 0.544 1 1 1287 . 2 1 1 A 127 127 PHE CB C 340 38.496 39.378 -0.882 1 1 1288 . 2 1 1 A 127 127 PHE N N 340 110.412 113.842 -3.430 1 1 1289 . 2 1 1 A 128 128 THR H H 341 6.785 7.267 -0.482 1 1 1290 . 2 1 1 A 128 128 THR HA H 341 4.294 4.286 0.008 1 1 1295 . 2 1 1 A 128 128 THR C C 341 174.727 176.492 -1.765 1 1 1296 . 2 1 1 A 128 128 THR CA C 341 62.016 63.628 -1.612 1 1 1297 . 2 1 1 A 128 128 THR CB C 341 69.757 69.479 0.278 1 1 1299 . 2 1 1 A 128 128 THR N N 341 107.455 116.399 -8.944 1 1 1300 . 2 1 1 A 129 129 GLY H H 342 10.506 8.872 1.634 1 1 1301 . 2 1 1 A 129 129 GLY HA2 H 342 3.841 3.951 -0.110 1 1 1302 . 2 1 1 A 129 129 GLY HA3 H 342 3.648 3.958 -0.310 1 1 1303 . 2 1 1 A 129 129 GLY C C 342 175.631 174.705 0.926 1 1 1304 . 2 1 1 A 129 129 GLY CA C 342 47.056 46.737 0.319 1 1 1305 . 2 1 1 A 129 129 GLY N N 342 111.023 113.850 -2.827 1 1 1306 . 2 1 1 A 130 130 LEU H H 343 8.003 7.946 0.057 1 1 1307 . 2 1 1 A 130 130 LEU HA H 343 4.135 4.483 -0.348 1 1 1317 . 2 1 1 A 130 130 LEU C C 343 178.627 177.417 1.210 1 1 1318 . 2 1 1 A 130 130 LEU CA C 343 56.606 54.921 1.685 1 1 1319 . 2 1 1 A 130 130 LEU CB C 343 42.399 42.363 0.036 1 1 1323 . 2 1 1 A 130 130 LEU N N 343 116.983 119.367 -2.384 1 1 1324 . 2 1 1 A 131 131 LYS H H 344 6.961 7.953 -0.992 1 1 1325 . 2 1 1 A 131 131 LYS HA H 344 4.001 4.428 -0.427 1 1 1333 . 2 1 1 A 131 131 LYS C C 344 176.224 177.079 -0.855 1 1 1334 . 2 1 1 A 131 131 LYS CA C 344 57.534 56.870 0.664 1 1 1335 . 2 1 1 A 131 131 LYS CB C 344 33.404 34.696 -1.292 1 1 1339 . 2 1 1 A 131 131 LYS N N 344 116.907 116.549 0.358 1 1 1340 . 2 1 1 A 132 132 CYS H H 345 8.564 8.284 0.280 1 1 1341 . 2 1 1 A 132 132 CYS HA H 345 4.930 4.851 0.079 1 1 1344 . 2 1 1 A 132 132 CYS C C 345 172.261 172.913 -0.652 1 1 1345 . 2 1 1 A 132 132 CYS CA C 345 56.566 57.082 -0.516 1 1 1346 . 2 1 1 A 132 132 CYS CB C 345 49.011 27.923 21.088 1 1 1347 . 2 1 1 A 132 132 CYS N N 345 117.718 116.379 1.339 1 1 1348 . 2 1 1 A 133 133 PRO HA H 346 4.719 4.458 0.261 1 1 1354 . 2 1 1 A 133 133 PRO C C 346 179.500 177.667 1.833 1 1 1355 . 2 1 1 A 133 133 PRO CA C 346 62.681 64.240 -1.559 1 1 1356 . 2 1 1 A 133 133 PRO CB C 346 34.366 31.883 2.483 1 1 1359 . 2 1 1 A 134 134 SER H H 347 8.896 8.375 0.521 1 1 1360 . 2 1 1 A 134 134 SER HA H 347 4.415 4.220 0.195 1 1 1363 . 2 1 1 A 134 134 SER C C 347 174.434 176.702 -2.268 1 1 1364 . 2 1 1 A 134 134 SER CA C 347 60.509 61.506 -0.997 1 1 1365 . 2 1 1 A 134 134 SER CB C 347 62.207 62.162 0.045 1 1 1366 . 2 1 1 A 134 134 SER N N 347 112.882 113.935 -1.053 1 1 1367 . 2 1 1 A 135 135 LEU H H 348 7.549 7.793 -0.244 1 1 1368 . 2 1 1 A 135 135 LEU HA H 348 4.466 4.261 0.205 1 1 1378 . 2 1 1 A 135 135 LEU C C 348 176.458 178.988 -2.530 1 1 1379 . 2 1 1 A 135 135 LEU CA C 348 53.787 56.332 -2.545 1 1 1380 . 2 1 1 A 135 135 LEU CB C 348 44.189 42.302 1.887 1 1 1384 . 2 1 1 A 135 135 LEU N N 348 118.501 121.545 -3.044 1 1 1385 . 2 1 1 A 136 136 ALA H H 349 7.776 7.800 -0.024 1 1 1386 . 2 1 1 A 136 136 ALA HA H 349 4.056 4.367 -0.311 1 1 1390 . 2 1 1 A 136 136 ALA C C 349 178.620 179.546 -0.926 1 1 1391 . 2 1 1 A 136 136 ALA CA C 349 54.406 54.921 -0.515 1 1 1392 . 2 1 1 A 136 136 ALA CB C 349 17.934 18.759 -0.825 1 1 1393 . 2 1 1 A 136 136 ALA N N 349 125.801 122.420 3.381 1 1 1394 . 2 1 1 A 137 137 GLY H H 350 9.371 8.449 0.922 1 1 1395 . 2 1 1 A 137 137 GLY C C 350 173.026 174.051 -1.025 1 1 1396 . 2 1 1 A 137 137 GLY CA C 350 45.132 46.465 -1.333 1 1 1397 . 2 1 1 A 137 137 GLY N N 350 111.181 106.554 4.627 1 1 1398 . 2 1 1 A 138 138 LYS H H 351 8.038 7.091 0.947 1 1 1399 . 2 1 1 A 138 138 LYS HA H 351 4.660 4.757 -0.097 1 1 1400 . 2 1 1 A 138 138 LYS C C 351 172.078 174.039 -1.961 1 1 1401 . 2 1 1 A 138 138 LYS CA C 351 52.728 53.123 -0.395 1 1 1402 . 2 1 1 A 138 138 LYS CB C 351 32.069 33.630 -1.561 1 1 1404 . 2 1 1 A 138 138 LYS N N 351 119.821 119.522 0.299 1 1 1405 . 2 1 1 A 139 139 PRO HA H 352 4.300 4.798 -0.498 1 1 1412 . 2 1 1 A 139 139 PRO C C 352 173.954 175.475 -1.521 1 1 1413 . 2 1 1 A 139 139 PRO CA C 352 62.595 62.453 0.142 1 1 1414 . 2 1 1 A 139 139 PRO CB C 352 31.399 32.687 -1.288 1 1 1417 . 2 1 1 A 140 140 LYS H H 353 8.188 8.576 -0.388 1 1 1418 . 2 1 1 A 140 140 LYS HA H 353 4.610 4.619 -0.009 1 1 1419 . 2 1 1 A 140 140 LYS C C 353 173.494 175.473 -1.979 1 1 1420 . 2 1 1 A 140 140 LYS CA C 353 55.344 54.585 0.759 1 1 1421 . 2 1 1 A 140 140 LYS CB C 353 32.527 37.161 -4.634 1 1 1423 . 2 1 1 A 140 140 LYS N N 353 123.304 120.876 2.428 1 1 1424 . 2 1 1 A 141 141 VAL H H 354 8.344 7.949 0.395 1 1 1425 . 2 1 1 A 141 141 VAL HA H 354 4.533 4.911 -0.378 1 1 1433 . 2 1 1 A 141 141 VAL C C 354 172.277 174.369 -2.092 1 1 1434 . 2 1 1 A 141 141 VAL CA C 354 60.596 60.495 0.101 1 1 1435 . 2 1 1 A 141 141 VAL CB C 354 33.580 34.864 -1.284 1 1 1438 . 2 1 1 A 141 141 VAL N N 354 122.550 120.408 2.142 1 1 1439 . 2 1 1 A 142 142 PHE H H 355 8.985 8.674 0.311 1 1 1440 . 2 1 1 A 142 142 PHE HA H 355 5.436 5.007 0.429 1 1 1441 . 2 1 1 A 142 142 PHE C C 355 173.666 174.516 -0.850 1 1 1442 . 2 1 1 A 142 142 PHE CA C 355 54.968 56.435 -1.467 1 1 1443 . 2 1 1 A 142 142 PHE CB C 355 42.877 42.412 0.465 1 1 1444 . 2 1 1 A 142 142 PHE N N 355 123.850 125.056 -1.206 1 1 1445 . 2 1 1 A 143 143 PHE H H 356 8.584 9.534 -0.950 1 1 1446 . 2 1 1 A 143 143 PHE HA H 356 5.934 5.344 0.590 1 1 1449 . 2 1 1 A 143 143 PHE C C 356 174.526 175.313 -0.787 1 1 1450 . 2 1 1 A 143 143 PHE CA C 356 55.909 56.599 -0.690 1 1 1451 . 2 1 1 A 143 143 PHE CB C 356 39.923 42.848 -2.925 1 1 1454 . 2 1 1 A 143 143 PHE N N 356 119.801 121.288 -1.487 1 1 1455 . 2 1 1 A 144 144 ILE H H 357 9.020 9.102 -0.082 1 1 1456 . 2 1 1 A 144 144 ILE HA H 357 5.040 4.870 0.170 1 1 1466 . 2 1 1 A 144 144 ILE C C 357 173.323 175.226 -1.903 1 1 1467 . 2 1 1 A 144 144 ILE CA C 357 59.479 60.914 -1.435 1 1 1468 . 2 1 1 A 144 144 ILE CB C 357 40.898 40.312 0.586 1 1 1472 . 2 1 1 A 144 144 ILE N N 357 121.194 121.104 0.090 1 1 1473 . 2 1 1 A 145 145 GLN H H 358 8.856 8.730 0.126 1 1 1474 . 2 1 1 A 145 145 GLN HA H 358 4.670 4.555 0.115 1 1 1475 . 2 1 1 A 145 145 GLN C C 358 171.591 176.887 -5.296 1 1 1476 . 2 1 1 A 145 145 GLN CA C 358 53.648 55.071 -1.423 1 1 1477 . 2 1 1 A 145 145 GLN CB C 358 30.373 28.817 1.556 1 1 1479 . 2 1 1 A 145 145 GLN N N 358 128.880 128.201 0.679 1 1 1480 . 2 1 1 A 146 146 ALA H H 359 8.418 7.757 0.661 1 1 1481 . 2 1 1 A 146 146 ALA HA H 359 5.247 4.074 1.173 1 1 1485 . 2 1 1 A 146 146 ALA C C 359 175.319 177.185 -1.866 1 1 1486 . 2 1 1 A 146 146 ALA CA C 359 50.243 54.323 -4.080 1 1 1487 . 2 1 1 A 146 146 ALA CB C 359 18.786 18.952 -0.166 1 1 1488 . 2 1 1 A 146 146 ALA N N 359 128.349 123.116 5.233 1 1 1489 . 2 1 1 A 147 147 ALA H H 360 8.161 7.951 0.210 1 1 1490 . 2 1 1 A 147 147 ALA HA H 360 4.343 3.945 0.398 1 1 1494 . 2 1 1 A 147 147 ALA C C 360 177.238 176.097 1.141 1 1 1495 . 2 1 1 A 147 147 ALA CA C 360 52.078 53.192 -1.114 1 1 1496 . 2 1 1 A 147 147 ALA CB C 360 20.003 17.183 2.820 1 1 1497 . 2 1 1 A 147 147 ALA N N 360 123.005 119.469 3.536 1 1 1498 . 2 1 1 A 148 148 GLN H H 361 8.461 7.839 0.622 1 1 1499 . 2 1 1 A 148 148 GLN HA H 361 4.663 4.598 0.065 1 1 1504 . 2 1 1 A 148 148 GLN C C 361 176.333 175.350 0.983 1 1 1505 . 2 1 1 A 148 148 GLN CA C 361 55.760 55.293 0.467 1 1 1506 . 2 1 1 A 148 148 GLN CB C 361 29.937 29.845 0.092 1 1 1508 . 2 1 1 A 148 148 GLN N N 361 120.296 117.337 2.959 1 1 1509 . 2 1 1 A 149 149 GLY H H 362 8.631 8.371 0.260 1 1 1510 . 2 1 1 A 149 149 GLY HA2 H 362 3.858 4.184 -0.326 1 1 1511 . 2 1 1 A 149 149 GLY HA3 H 362 3.858 4.195 -0.337 1 1 1512 . 2 1 1 A 149 149 GLY C C 362 172.022 171.923 0.099 1 1 1513 . 2 1 1 A 149 149 GLY CA C 362 44.969 45.332 -0.363 1 1 1514 . 2 1 1 A 149 149 GLY N N 362 109.782 111.811 -2.029 1 1 1515 . 2 1 1 A 150 150 ASP H H 363 7.566 9.068 -1.502 1 1 1516 . 2 1 1 A 150 150 ASP HA H 363 4.661 5.514 -0.853 1 1 1519 . 2 1 1 A 150 150 ASP C C 363 174.446 174.140 0.306 1 1 1520 . 2 1 1 A 150 150 ASP CA C 363 57.776 53.208 4.568 1 1 1521 . 2 1 1 A 150 150 ASP CB C 363 39.423 44.769 -5.346 1 1 1522 . 2 1 1 A 150 150 ASP N N 363 118.182 124.416 -6.234 1 1 1523 . 2 1 1 A 153 153 GLN HA H 366 4.665 5.045 -0.380 1 1 1530 . 2 1 1 A 153 153 GLN CA C 366 53.779 54.535 -0.756 1 1 1531 . 2 1 1 A 153 153 GLN CB C 366 28.988 33.031 -4.043 1 1 1534 . 2 1 1 A 155 155 GLY HA2 H 368 3.899 4.063 -0.164 1 1 1535 . 2 1 1 A 155 155 GLY HA3 H 368 3.899 4.071 -0.172 1 1 1536 . 2 1 1 A 155 155 GLY CA C 368 45.013 45.123 -0.110 1 1 1537 . 2 1 1 A 156 156 ILE H H 369 7.871 8.066 -0.195 1 1 1538 . 2 1 1 A 156 156 ILE HA H 369 4.428 4.254 0.174 1 1 1548 . 2 1 1 A 156 156 ILE C C 369 174.196 176.505 -2.309 1 1 1549 . 2 1 1 A 156 156 ILE CA C 369 58.676 60.000 -1.324 1 1 1550 . 2 1 1 A 156 156 ILE CB C 369 38.516 37.521 0.995 1 1 1554 . 2 1 1 A 156 156 ILE N N 369 120.958 120.122 0.836 1 1 1555 . 2 1 1 A 157 157 PRO HA H 370 4.386 4.533 -0.147 1 1 1562 . 2 1 1 A 157 157 PRO C C 370 176.218 176.389 -0.171 1 1 1563 . 2 1 1 A 157 157 PRO CA C 370 63.431 64.052 -0.621 1 1 1564 . 2 1 1 A 157 157 PRO CB C 370 31.913 31.915 -0.002 1 1 1567 . 2 1 1 A 158 158 VAL H H 371 8.137 7.438 0.699 1 1 1568 . 2 1 1 A 158 158 VAL HA H 371 4.089 4.143 -0.054 1 1 1576 . 2 1 1 A 158 158 VAL C C 371 175.904 175.863 0.041 1 1 1577 . 2 1 1 A 158 158 VAL CA C 371 62.121 60.538 1.583 1 1 1578 . 2 1 1 A 158 158 VAL CB C 371 32.958 33.767 -0.809 1 1 1581 . 2 1 1 A 158 158 VAL N N 371 119.640 116.611 3.029 1 1 1582 . 2 1 1 A 159 159 GLU H H 372 8.523 8.739 -0.216 1 1 1583 . 2 1 1 A 159 159 GLU HA H 372 4.345 4.402 -0.057 1 1 1588 . 2 1 1 A 159 159 GLU C C 372 176.068 176.421 -0.353 1 1 1589 . 2 1 1 A 159 159 GLU CA C 372 56.474 58.550 -2.076 1 1 1590 . 2 1 1 A 159 159 GLU CB C 372 30.078 30.635 -0.557 1 1 1592 . 2 1 1 A 159 159 GLU N N 372 123.765 120.647 3.118 1 1 1593 . 2 1 1 A 160 160 THR H H 373 8.096 7.922 0.174 1 1 1594 . 2 1 1 A 160 160 THR HA H 373 4.311 4.668 -0.357 1 1 1599 . 2 1 1 A 160 160 THR C C 373 173.701 173.611 0.090 1 1 1600 . 2 1 1 A 160 160 THR CA C 373 61.845 61.081 0.764 1 1 1601 . 2 1 1 A 160 160 THR CB C 373 69.760 70.811 -1.051 1 1 1603 . 2 1 1 A 160 160 THR N N 373 114.143 112.230 1.913 1 1 1604 . 2 1 1 A 161 161 ASP H H 374 8.387 8.334 0.053 1 1 1605 . 2 1 1 A 161 161 ASP HA H 374 4.625 4.560 0.065 1 1 1608 . 2 1 1 A 161 161 ASP C C 374 175.806 175.850 -0.044 1 1 1609 . 2 1 1 A 161 161 ASP CA C 374 54.478 54.262 0.216 1 1 1610 . 2 1 1 A 161 161 ASP CB C 374 41.096 41.816 -0.720 1 1 1611 . 2 1 1 A 161 161 ASP N N 374 122.070 122.890 -0.820 1 1 1612 . 2 1 1 A 162 162 SER H H 375 8.175 8.448 -0.273 1 1 1613 . 2 1 1 A 162 162 SER HA H 375 4.385 4.368 0.017 1 1 1616 . 2 1 1 A 162 162 SER C C 375 174.169 173.526 0.643 1 1 1617 . 2 1 1 A 162 162 SER CA C 375 58.631 58.060 0.571 1 1 1618 . 2 1 1 A 162 162 SER CB C 375 63.814 63.218 0.596 1 1 1619 . 2 1 1 A 162 162 SER N N 375 115.346 119.246 -3.900 1 1 1620 . 2 1 1 A 163 163 GLU H H 376 8.424 8.362 0.062 1 1 1621 . 2 1 1 A 163 163 GLU HA H 376 4.263 4.299 -0.036 1 1 1626 . 2 1 1 A 163 163 GLU C C 376 175.959 176.556 -0.597 1 1 1627 . 2 1 1 A 163 163 GLU CA C 376 56.567 56.860 -0.293 1 1 1628 . 2 1 1 A 163 163 GLU CB C 376 30.044 29.915 0.129 1 1 1630 . 2 1 1 A 163 163 GLU N N 376 122.034 125.994 -3.960 1 1 1631 . 2 1 1 A 164 164 GLU H H 377 8.298 9.057 -0.759 1 1 1632 . 2 1 1 A 164 164 GLU HA H 377 4.224 3.851 0.373 1 1 1637 . 2 1 1 A 164 164 GLU C C 377 175.816 178.314 -2.498 1 1 1638 . 2 1 1 A 164 164 GLU CA C 377 56.489 59.978 -3.489 1 1 1639 . 2 1 1 A 164 164 GLU CB C 377 30.220 30.333 -0.113 1 1 1641 . 2 1 1 A 164 164 GLU N N 377 120.980 124.557 -3.577 1 1 1642 . 2 1 1 A 165 165 GLN H H 378 8.340 8.018 0.322 1 1 1643 . 2 1 1 A 165 165 GLN HA H 378 4.563 4.472 0.091 1 1 1645 . 2 1 1 A 165 165 GLN C C 378 173.510 175.158 -1.648 1 1 1646 . 2 1 1 A 165 165 GLN CA C 378 53.530 56.930 -3.400 1 1 1647 . 2 1 1 A 165 165 GLN CB C 378 28.816 31.236 -2.420 1 1 1649 . 2 1 1 A 165 165 GLN N N 378 121.693 116.499 5.194 1 1 1650 . 2 1 1 A 166 166 PRO HA H 379 4.381 4.695 -0.314 1 1 1657 . 2 1 1 A 166 166 PRO C C 379 176.081 176.435 -0.354 1 1 1658 . 2 1 1 A 166 166 PRO CA C 379 63.260 62.552 0.708 1 1 1659 . 2 1 1 A 166 166 PRO CB C 379 32.010 30.125 1.885 1 1 1662 . 2 1 1 A 167 167 TYR H H 380 8.116 8.485 -0.369 1 1 1663 . 2 1 1 A 167 167 TYR HA H 380 4.513 4.778 -0.265 1 1 1668 . 2 1 1 A 167 167 TYR C C 380 174.992 175.579 -0.587 1 1 1669 . 2 1 1 A 167 167 TYR CA C 380 57.699 57.500 0.199 1 1 1670 . 2 1 1 A 167 167 TYR CB C 380 38.344 39.859 -1.515 1 1 1673 . 2 1 1 A 167 167 TYR N N 380 119.531 119.958 -0.427 1 1 1674 . 2 1 1 A 168 168 LEU H H 381 7.953 8.208 -0.255 1 1 1675 . 2 1 1 A 168 168 LEU HA H 381 4.267 4.644 -0.377 1 1 1685 . 2 1 1 A 168 168 LEU C C 381 176.162 176.024 0.138 1 1 1686 . 2 1 1 A 168 168 LEU CA C 381 54.808 52.431 2.377 1 1 1687 . 2 1 1 A 168 168 LEU CB C 381 42.735 44.913 -2.178 1 1 1691 . 2 1 1 A 168 168 LEU N N 381 124.133 116.134 7.999 1 1 1692 . 2 1 1 A 169 169 GLU H H 382 8.190 8.545 -0.355 1 1 1693 . 2 1 1 A 169 169 GLU HA H 382 4.167 4.395 -0.228 1 1 1698 . 2 1 1 A 169 169 GLU C C 382 175.881 176.421 -0.540 1 1 1699 . 2 1 1 A 169 169 GLU CA C 382 56.655 56.373 0.282 1 1 1700 . 2 1 1 A 169 169 GLU CB C 382 30.058 31.213 -1.155 1 1 1702 . 2 1 1 A 169 169 GLU N N 382 121.131 116.987 4.144 1 1 1703 . 2 1 1 A 170 170 MET H H 383 8.214 7.679 0.535 1 1 1704 . 2 1 1 A 170 170 MET HA H 383 4.377 4.801 -0.424 1 1 1709 . 2 1 1 A 170 170 MET C C 383 175.132 173.348 1.784 1 1 1710 . 2 1 1 A 170 170 MET CA C 383 55.606 54.408 1.198 1 1 1711 . 2 1 1 A 170 170 MET CB C 383 33.091 34.757 -1.666 1 1 1713 . 2 1 1 A 170 170 MET N N 383 120.601 116.236 4.365 1 1 1714 . 2 1 1 A 171 171 ASP H H 384 8.358 8.786 -0.428 1 1 1715 . 2 1 1 A 171 171 ASP HA H 384 4.575 5.145 -0.570 1 1 1718 . 2 1 1 A 171 171 ASP C C 384 175.966 174.596 1.370 1 1 1719 . 2 1 1 A 171 171 ASP CA C 384 53.741 52.989 0.752 1 1 1720 . 2 1 1 A 171 171 ASP CB C 384 40.571 44.633 -4.062 1 1 1721 . 2 1 1 A 171 171 ASP N N 384 121.104 118.120 2.984 1 1 1722 . 2 1 1 A 172 172 LEU H H 385 8.285 8.488 -0.203 1 1 1723 . 2 1 1 A 172 172 LEU HA H 385 4.305 5.233 -0.928 1 1 1733 . 2 1 1 A 172 172 LEU C C 385 177.140 174.862 2.278 1 1 1734 . 2 1 1 A 172 172 LEU CA C 385 55.122 53.032 2.090 1 1 1735 . 2 1 1 A 172 172 LEU CB C 385 41.851 46.212 -4.361 1 1 1739 . 2 1 1 A 172 172 LEU N N 385 123.115 115.772 7.343 1 1 1740 . 2 1 1 A 173 173 SER H H 386 8.290 8.808 -0.518 1 1 1741 . 2 1 1 A 173 173 SER N N 386 115.101 113.945 1.156 1 1 1742 . 2 1 1 A 176 176 GLN HA H 389 4.383 4.198 0.185 1 1 1749 . 2 1 1 A 176 176 GLN CA C 389 55.991 56.680 -0.689 1 1 1750 . 2 1 1 A 176 176 GLN CB C 389 29.280 28.128 1.152 1 1 1753 . 2 1 1 A 177 177 THR H H 390 6.958 7.575 -0.617 1 1 1754 . 2 1 1 A 177 177 THR HA H 390 3.970 4.934 -0.964 1 1 1759 . 2 1 1 A 177 177 THR C C 390 172.764 172.938 -0.174 1 1 1760 . 2 1 1 A 177 177 THR CA C 390 62.221 59.738 2.483 1 1 1761 . 2 1 1 A 177 177 THR CB C 390 69.382 72.215 -2.833 1 1 1763 . 2 1 1 A 177 177 THR N N 390 115.463 114.357 1.106 1 1 1764 . 2 1 1 A 178 178 ARG H H 391 7.873 8.889 -1.016 1 1 1765 . 2 1 1 A 178 178 ARG C C 391 174.982 174.297 0.685 1 1 1766 . 2 1 1 A 178 178 ARG CA C 391 55.266 54.734 0.532 1 1 1767 . 2 1 1 A 178 178 ARG CB C 391 31.052 32.676 -1.624 1 1 1769 . 2 1 1 A 178 178 ARG N N 391 122.116 123.335 -1.219 1 1 1770 . 2 1 1 A 179 179 TYR H H 392 8.812 9.054 -0.242 1 1 1771 . 2 1 1 A 179 179 TYR HA H 392 4.621 5.371 -0.750 1 1 1776 . 2 1 1 A 179 179 TYR C C 392 174.337 174.224 0.113 1 1 1777 . 2 1 1 A 179 179 TYR CA C 392 57.444 56.125 1.319 1 1 1778 . 2 1 1 A 179 179 TYR CB C 392 40.623 39.787 0.836 1 1 1781 . 2 1 1 A 179 179 TYR N N 392 118.296 124.970 -6.674 1 1 1782 . 2 1 1 A 180 180 ILE H H 393 7.254 8.468 -1.214 1 1 1783 . 2 1 1 A 180 180 ILE HA H 393 4.610 4.660 -0.050 1 1 1793 . 2 1 1 A 180 180 ILE C C 393 171.654 174.072 -2.418 1 1 1794 . 2 1 1 A 180 180 ILE CA C 393 56.916 58.777 -1.861 1 1 1795 . 2 1 1 A 180 180 ILE CB C 393 39.736 38.639 1.097 1 1 1799 . 2 1 1 A 180 180 ILE N N 393 108.609 127.461 -18.852 1 1 1800 . 2 1 1 A 181 181 PRO HA H 394 4.709 4.794 -0.085 1 1 1807 . 2 1 1 A 181 181 PRO C C 394 173.910 176.385 -2.475 1 1 1808 . 2 1 1 A 181 181 PRO CA C 394 62.144 62.474 -0.330 1 1 1809 . 2 1 1 A 181 181 PRO CB C 394 32.527 33.373 -0.846 1 1 1812 . 2 1 1 A 182 182 ASP H H 395 8.296 8.873 -0.577 1 1 1813 . 2 1 1 A 182 182 ASP HA H 395 4.665 4.858 -0.193 1 1 1816 . 2 1 1 A 182 182 ASP C C 395 175.120 176.258 -1.138 1 1 1817 . 2 1 1 A 182 182 ASP CA C 395 52.455 54.070 -1.615 1 1 1818 . 2 1 1 A 182 182 ASP CB C 395 38.742 41.458 -2.716 1 1 1819 . 2 1 1 A 182 182 ASP N N 395 120.042 119.414 0.628 1 1 1820 . 2 1 1 A 183 183 GLU H H 396 7.651 7.759 -0.108 1 1 1821 . 2 1 1 A 183 183 GLU HA H 396 4.492 4.483 0.009 1 1 1826 . 2 1 1 A 183 183 GLU C C 396 173.702 176.172 -2.470 1 1 1827 . 2 1 1 A 183 183 GLU CA C 396 54.897 56.392 -1.495 1 1 1828 . 2 1 1 A 183 183 GLU CB C 396 32.509 30.750 1.759 1 1 1830 . 2 1 1 A 183 183 GLU N N 396 117.840 120.283 -2.443 1 1 1831 . 2 1 1 A 184 184 ALA H H 397 8.365 8.689 -0.324 1 1 1832 . 2 1 1 A 184 184 ALA HA H 397 4.394 4.520 -0.126 1 1 1836 . 2 1 1 A 184 184 ALA C C 397 175.829 176.900 -1.071 1 1 1837 . 2 1 1 A 184 184 ALA CA C 397 52.770 51.718 1.052 1 1 1838 . 2 1 1 A 184 184 ALA CB C 397 20.682 20.171 0.511 1 1 1839 . 2 1 1 A 184 184 ALA N N 397 121.613 128.055 -6.442 1 1 1840 . 2 1 1 A 185 185 ASP H H 398 7.245 8.882 -1.637 1 1 1841 . 2 1 1 A 185 185 ASP HA H 398 4.092 4.119 -0.027 1 1 1844 . 2 1 1 A 185 185 ASP C C 398 172.730 174.538 -1.808 1 1 1845 . 2 1 1 A 185 185 ASP CA C 398 56.144 55.226 0.918 1 1 1846 . 2 1 1 A 185 185 ASP CB C 398 39.841 39.396 0.445 1 1 1847 . 2 1 1 A 185 185 ASP N N 398 105.829 115.897 -10.068 1 1 1848 . 2 1 1 A 186 186 PHE H H 399 8.467 7.347 1.120 1 1 1849 . 2 1 1 A 186 186 PHE HA H 399 5.486 5.308 0.178 1 1 1852 . 2 1 1 A 186 186 PHE C C 399 176.218 174.109 2.109 1 1 1853 . 2 1 1 A 186 186 PHE CA C 399 57.959 56.407 1.552 1 1 1854 . 2 1 1 A 186 186 PHE CB C 399 44.529 43.549 0.980 1 1 1855 . 2 1 1 A 186 186 PHE N N 399 116.177 118.065 -1.888 1 1 1856 . 2 1 1 A 187 187 LEU H H 400 8.964 9.050 -0.086 1 1 1857 . 2 1 1 A 187 187 LEU HA H 400 4.963 5.299 -0.336 1 1 1867 . 2 1 1 A 187 187 LEU C C 400 171.747 174.363 -2.616 1 1 1868 . 2 1 1 A 187 187 LEU CA C 400 55.422 53.663 1.759 1 1 1869 . 2 1 1 A 187 187 LEU CB C 400 45.641 45.201 0.440 1 1 1873 . 2 1 1 A 187 187 LEU N N 400 121.383 123.789 -2.406 1 1 1874 . 2 1 1 A 188 188 LEU H H 401 9.312 8.482 0.830 1 1 1875 . 2 1 1 A 188 188 LEU HA H 401 5.580 5.171 0.409 1 1 1885 . 2 1 1 A 188 188 LEU C C 401 173.853 177.034 -3.181 1 1 1886 . 2 1 1 A 188 188 LEU CA C 401 53.421 53.575 -0.154 1 1 1887 . 2 1 1 A 188 188 LEU CB C 401 45.403 45.264 0.139 1 1 1891 . 2 1 1 A 188 188 LEU N N 401 128.151 128.419 -0.268 1 1 1892 . 2 1 1 A 189 189 GLY H H 402 9.415 9.023 0.392 1 1 1893 . 2 1 1 A 189 189 GLY HA2 H 402 4.670 4.023 0.647 1 1 1894 . 2 1 1 A 189 189 GLY HA3 H 402 3.663 4.122 -0.459 1 1 1895 . 2 1 1 A 189 189 GLY C C 402 171.014 173.708 -2.694 1 1 1896 . 2 1 1 A 189 189 GLY CA C 402 44.967 45.616 -0.649 1 1 1897 . 2 1 1 A 189 189 GLY N N 402 115.881 114.629 1.252 1 1 1898 . 2 1 1 A 190 190 MET H H 403 8.118 7.888 0.230 1 1 1899 . 2 1 1 A 190 190 MET HA H 403 5.314 4.661 0.653 1 1 1907 . 2 1 1 A 190 190 MET C C 403 173.744 176.056 -2.312 1 1 1908 . 2 1 1 A 190 190 MET CA C 403 53.284 55.344 -2.060 1 1 1909 . 2 1 1 A 190 190 MET CB C 403 36.614 33.508 3.106 1 1 1912 . 2 1 1 A 190 190 MET N N 403 122.165 121.047 1.118 1 1 1934 . 2 1 1 A 203 203 ALA H H 416 8.076 8.343 -0.267 1 1 1935 . 2 1 1 A 203 203 ALA HA H 416 4.228 4.568 -0.340 1 1 1939 . 2 1 1 A 203 203 ALA C C 416 176.895 178.391 -1.496 1 1 1940 . 2 1 1 A 203 203 ALA CA C 416 52.743 50.301 2.442 1 1 1941 . 2 1 1 A 203 203 ALA CB C 416 18.723 20.950 -2.227 1 1 1942 . 2 1 1 A 203 203 ALA N N 416 119.053 123.827 -4.774 1 1 1943 . 2 1 1 A 204 204 GLU H H 417 7.784 8.705 -0.921 1 1 1944 . 2 1 1 A 204 204 GLU HA H 417 4.350 4.058 0.292 1 1 1949 . 2 1 1 A 204 204 GLU C C 417 175.678 177.363 -1.685 1 1 1950 . 2 1 1 A 204 204 GLU CA C 417 55.650 58.991 -3.341 1 1 1951 . 2 1 1 A 204 204 GLU CB C 417 30.312 30.005 0.307 1 1 1953 . 2 1 1 A 204 204 GLU N N 417 116.458 117.752 -1.294 1 1 1954 . 2 1 1 A 205 205 GLY H H 418 7.910 7.693 0.217 1 1 1955 . 2 1 1 A 205 205 GLY CA C 418 43.804 44.599 -0.795 1 1 1956 . 2 1 1 A 205 205 GLY N N 418 108.024 106.340 1.684 1 1 1957 . 2 1 1 A 206 206 THR H H 419 8.364 8.108 0.256 1 1 1958 . 2 1 1 A 206 206 THR HA H 419 4.316 4.045 0.271 1 1 1963 . 2 1 1 A 206 206 THR CA C 419 64.682 61.902 2.780 1 1 1964 . 2 1 1 A 206 206 THR CB C 419 69.304 69.698 -0.394 1 1 1966 . 2 1 1 A 206 206 THR N N 419 115.417 115.520 -0.103 1 1 1967 . 2 1 1 A 207 207 TRP HA H 420 4.116 4.998 -0.882 1 1 1976 . 2 1 1 A 207 207 TRP CA C 420 61.178 57.216 3.962 1 1 1977 . 2 1 1 A 207 207 TRP CB C 420 28.670 30.518 -1.848 1 1 1984 . 2 1 1 A 209 209 ILE H H 422 6.744 8.407 -1.663 1 1 1985 . 2 1 1 A 209 209 ILE HA H 422 3.349 3.764 -0.415 1 1 1993 . 2 1 1 A 209 209 ILE C C 422 178.143 177.916 0.227 1 1 1994 . 2 1 1 A 209 209 ILE CA C 422 60.865 64.759 -3.894 1 1 1995 . 2 1 1 A 209 209 ILE CB C 422 34.371 37.589 -3.218 1 1 1999 . 2 1 1 A 209 209 ILE N N 422 113.211 126.820 -13.609 1 1 2000 . 2 1 1 A 210 210 GLN H H 423 8.252 8.444 -0.192 1 1 2001 . 2 1 1 A 210 210 GLN HA H 423 3.548 4.067 -0.519 1 1 2006 . 2 1 1 A 210 210 GLN C C 423 179.079 177.533 1.546 1 1 2007 . 2 1 1 A 210 210 GLN CA C 423 58.795 58.347 0.448 1 1 2008 . 2 1 1 A 210 210 GLN CB C 423 26.704 28.464 -1.760 1 1 2010 . 2 1 1 A 210 210 GLN N N 423 116.455 120.187 -3.732 1 1 2011 . 2 1 1 A 211 211 SER H H 424 8.162 8.178 -0.016 1 1 2012 . 2 1 1 A 211 211 SER HA H 424 3.961 4.276 -0.315 1 1 2015 . 2 1 1 A 211 211 SER C C 424 179.150 176.469 2.681 1 1 2016 . 2 1 1 A 211 211 SER CA C 424 61.850 61.952 -0.102 1 1 2017 . 2 1 1 A 211 211 SER CB C 424 62.214 63.269 -1.055 1 1 2018 . 2 1 1 A 211 211 SER N N 424 115.041 117.642 -2.601 1 1 2019 . 2 1 1 A 212 212 LEU H H 425 8.061 7.882 0.179 1 1 2020 . 2 1 1 A 212 212 LEU HA H 425 3.540 4.070 -0.530 1 1 2030 . 2 1 1 A 212 212 LEU C C 425 177.566 178.193 -0.627 1 1 2031 . 2 1 1 A 212 212 LEU CA C 425 58.548 57.932 0.616 1 1 2032 . 2 1 1 A 212 212 LEU CB C 425 41.665 41.632 0.033 1 1 2036 . 2 1 1 A 212 212 LEU N N 425 124.082 122.323 1.759 1 1 2037 . 2 1 1 A 213 213 CYS H H 426 7.940 8.169 -0.229 1 1 2038 . 2 1 1 A 213 213 CYS HA H 426 3.628 3.991 -0.363 1 1 2041 . 2 1 1 A 213 213 CYS C C 426 175.741 176.535 -0.794 1 1 2042 . 2 1 1 A 213 213 CYS CA C 426 65.159 62.477 2.682 1 1 2043 . 2 1 1 A 213 213 CYS CB C 426 49.251 27.114 22.137 1 1 2044 . 2 1 1 A 213 213 CYS N N 426 114.351 118.304 -3.953 1 1 2045 . 2 1 1 A 214 214 GLN H H 427 7.510 8.096 -0.586 1 1 2046 . 2 1 1 A 214 214 GLN HA H 427 3.772 4.039 -0.267 1 1 2051 . 2 1 1 A 214 214 GLN C C 427 177.769 177.606 0.163 1 1 2052 . 2 1 1 A 214 214 GLN CA C 427 59.019 58.679 0.340 1 1 2053 . 2 1 1 A 214 214 GLN CB C 427 27.718 28.414 -0.696 1 1 2055 . 2 1 1 A 214 214 GLN N N 427 117.399 118.646 -1.247 1 1 2056 . 2 1 1 A 215 215 SER H H 428 7.906 8.180 -0.274 1 1 2057 . 2 1 1 A 215 215 SER HA H 428 4.173 4.283 -0.110 1 1 2060 . 2 1 1 A 215 215 SER CA C 428 62.653 60.778 1.875 1 1 2061 . 2 1 1 A 215 215 SER CB C 428 62.889 63.153 -0.264 1 1 2062 . 2 1 1 A 215 215 SER N N 428 113.799 116.692 -2.893 1 1 2063 . 2 1 1 A 216 216 LEU H H 429 8.505 7.852 0.653 1 1 2064 . 2 1 1 A 216 216 LEU HA H 429 4.156 4.161 -0.005 1 1 2071 . 2 1 1 A 216 216 LEU C C 429 178.848 178.643 0.205 1 1 2072 . 2 1 1 A 216 216 LEU CA C 429 58.053 56.888 1.165 1 1 2073 . 2 1 1 A 216 216 LEU CB C 429 41.222 42.419 -1.197 1 1 2076 . 2 1 1 A 216 216 LEU N N 429 121.357 117.939 3.418 1 1 2077 . 2 1 1 A 217 217 ARG H H 430 7.972 8.373 -0.401 1 1 2078 . 2 1 1 A 217 217 ARG HA H 430 3.850 3.787 0.063 1 1 2085 . 2 1 1 A 217 217 ARG C C 430 178.237 176.866 1.371 1 1 2086 . 2 1 1 A 217 217 ARG CA C 430 59.472 58.723 0.749 1 1 2087 . 2 1 1 A 217 217 ARG CB C 430 30.256 29.825 0.431 1 1 2090 . 2 1 1 A 217 217 ARG N N 430 116.018 120.340 -4.322 1 1 2091 . 2 1 1 A 218 218 GLU H H 431 7.583 8.321 -0.738 1 1 2092 . 2 1 1 A 218 218 GLU HA H 431 4.119 4.091 0.028 1 1 2096 . 2 1 1 A 218 218 GLU C C 431 178.377 176.038 2.339 1 1 2097 . 2 1 1 A 218 218 GLU CA C 431 58.207 57.146 1.061 1 1 2098 . 2 1 1 A 218 218 GLU CB C 431 30.548 28.849 1.699 1 1 2100 . 2 1 1 A 218 218 GLU N N 431 113.645 117.749 -4.104 1 1 2101 . 2 1 1 A 219 219 ARG H H 432 8.621 7.462 1.159 1 1 2102 . 2 1 1 A 219 219 ARG HA H 432 4.180 4.409 -0.229 1 1 2103 . 2 1 1 A 219 219 ARG C C 432 178.455 176.693 1.762 1 1 2104 . 2 1 1 A 219 219 ARG CA C 432 58.428 56.472 1.956 1 1 2105 . 2 1 1 A 219 219 ARG CB C 432 30.936 32.481 -1.545 1 1 2107 . 2 1 1 A 219 219 ARG N N 432 114.272 119.219 -4.947 1 1 2108 . 2 1 1 A 220 220 CYS H H 433 8.828 8.644 0.184 1 1 2109 . 2 1 1 A 220 220 CYS HA H 433 4.464 4.107 0.357 1 1 2112 . 2 1 1 A 220 220 CYS C C 433 176.708 175.118 1.590 1 1 2113 . 2 1 1 A 220 220 CYS CA C 433 66.312 63.965 2.347 1 1 2114 . 2 1 1 A 220 220 CYS CB C 433 47.095 25.597 21.498 1 1 2115 . 2 1 1 A 220 220 CYS N N 433 120.012 119.312 0.700 1 1 2116 . 2 1 1 A 221 221 PRO HA H 434 4.463 4.375 0.088 1 1 2123 . 2 1 1 A 221 221 PRO C C 434 177.064 176.936 0.128 1 1 2124 . 2 1 1 A 221 221 PRO CA C 434 65.717 64.299 1.418 1 1 2125 . 2 1 1 A 221 221 PRO CB C 434 31.169 31.771 -0.602 1 1 2128 . 2 1 1 A 222 222 ARG H H 435 6.904 7.777 -0.873 1 1 2129 . 2 1 1 A 222 222 ARG HA H 435 4.331 4.383 -0.052 1 1 2136 . 2 1 1 A 222 222 ARG C C 435 176.536 176.575 -0.039 1 1 2137 . 2 1 1 A 222 222 ARG CA C 435 55.901 55.676 0.225 1 1 2138 . 2 1 1 A 222 222 ARG CB C 435 30.116 30.860 -0.744 1 1 2141 . 2 1 1 A 222 222 ARG N N 435 112.486 117.939 -5.453 1 1 2142 . 2 1 1 A 223 223 GLY H H 436 8.160 8.058 0.102 1 1 2143 . 2 1 1 A 223 223 GLY HA2 H 436 4.237 3.976 0.261 1 1 2144 . 2 1 1 A 223 223 GLY HA3 H 436 3.643 4.003 -0.360 1 1 2145 . 2 1 1 A 223 223 GLY C C 436 173.338 174.387 -1.049 1 1 2146 . 2 1 1 A 223 223 GLY CA C 436 43.988 45.827 -1.839 1 1 2147 . 2 1 1 A 223 223 GLY N N 436 105.931 108.760 -2.829 1 1 2148 . 2 1 1 A 224 224 ASP H H 437 6.891 7.813 -0.922 1 1 2149 . 2 1 1 A 224 224 ASP HA H 437 4.500 4.621 -0.121 1 1 2151 . 2 1 1 A 224 224 ASP C C 437 173.806 175.682 -1.876 1 1 2152 . 2 1 1 A 224 224 ASP CA C 437 54.576 54.664 -0.088 1 1 2153 . 2 1 1 A 224 224 ASP CB C 437 40.588 40.841 -0.253 1 1 2154 . 2 1 1 A 224 224 ASP N N 437 119.342 121.159 -1.817 1 1 2155 . 2 1 1 A 225 225 ASP H H 438 8.054 8.841 -0.787 1 1 2156 . 2 1 1 A 225 225 ASP HA H 438 4.912 4.696 0.216 1 1 2159 . 2 1 1 A 225 225 ASP C C 438 175.631 176.996 -1.365 1 1 2160 . 2 1 1 A 225 225 ASP CA C 438 52.579 54.900 -2.321 1 1 2161 . 2 1 1 A 225 225 ASP CB C 438 42.616 41.030 1.586 1 1 2162 . 2 1 1 A 225 225 ASP N N 438 117.877 125.287 -7.410 1 1 2163 . 2 1 1 A 226 226 ILE H H 439 9.101 8.396 0.705 1 1 2164 . 2 1 1 A 226 226 ILE HA H 439 3.621 3.787 -0.166 1 1 2174 . 2 1 1 A 226 226 ILE C C 439 176.146 177.321 -1.175 1 1 2175 . 2 1 1 A 226 226 ILE CA C 439 62.602 64.795 -2.193 1 1 2176 . 2 1 1 A 226 226 ILE CB C 439 36.530 37.423 -0.893 1 1 2180 . 2 1 1 A 226 226 ILE N N 439 118.352 123.397 -5.045 1 1 2181 . 2 1 1 A 227 227 LEU H H 440 7.814 7.924 -0.110 1 1 2182 . 2 1 1 A 227 227 LEU HA H 440 3.918 3.806 0.112 1 1 2192 . 2 1 1 A 227 227 LEU C C 440 179.397 179.206 0.191 1 1 2193 . 2 1 1 A 227 227 LEU CA C 440 58.566 58.092 0.474 1 1 2194 . 2 1 1 A 227 227 LEU CB C 440 40.819 41.711 -0.892 1 1 2198 . 2 1 1 A 227 227 LEU N N 440 119.906 121.323 -1.417 1 1 2199 . 2 1 1 A 228 228 THR H H 441 7.665 7.989 -0.324 1 1 2200 . 2 1 1 A 228 228 THR HA H 441 4.289 3.927 0.362 1 1 2205 . 2 1 1 A 228 228 THR C C 441 179.489 177.070 2.419 1 1 2206 . 2 1 1 A 228 228 THR CA C 441 61.837 65.821 -3.984 1 1 2207 . 2 1 1 A 228 228 THR CB C 441 69.979 68.379 1.600 1 1 2209 . 2 1 1 A 228 228 THR N N 441 120.011 108.798 11.213 1 1 2210 . 2 1 1 A 229 229 ILE H H 442 7.807 7.675 0.132 1 1 2211 . 2 1 1 A 229 229 ILE HA H 442 3.300 3.566 -0.266 1 1 2221 . 2 1 1 A 229 229 ILE C C 442 177.728 178.164 -0.436 1 1 2222 . 2 1 1 A 229 229 ILE CA C 442 66.069 65.204 0.865 1 1 2223 . 2 1 1 A 229 229 ILE CB C 442 38.260 37.930 0.330 1 1 2227 . 2 1 1 A 229 229 ILE N N 442 119.411 123.066 -3.655 1 1 2228 . 2 1 1 A 230 230 LEU H H 443 8.530 7.871 0.659 1 1 2229 . 2 1 1 A 230 230 LEU HA H 443 3.958 3.958 0.000 1 1 2239 . 2 1 1 A 230 230 LEU C C 443 178.689 177.952 0.737 1 1 2240 . 2 1 1 A 230 230 LEU CA C 443 57.697 57.998 -0.301 1 1 2241 . 2 1 1 A 230 230 LEU CB C 443 42.191 41.810 0.381 1 1 2245 . 2 1 1 A 230 230 LEU N N 443 116.186 120.179 -3.993 1 1 2246 . 2 1 1 A 231 231 THR H H 444 8.008 7.606 0.402 1 1 2247 . 2 1 1 A 231 231 THR HA H 444 4.153 4.159 -0.006 1 1 2252 . 2 1 1 A 231 231 THR C C 444 175.208 175.765 -0.557 1 1 2253 . 2 1 1 A 231 231 THR CA C 444 65.327 62.051 3.276 1 1 2254 . 2 1 1 A 231 231 THR CB C 444 69.718 69.493 0.225 1 1 2256 . 2 1 1 A 231 231 THR N N 444 112.075 107.244 4.831 1 1 2257 . 2 1 1 A 232 232 GLU H H 445 7.717 7.910 -0.193 1 1 2258 . 2 1 1 A 232 232 GLU HA H 445 4.186 3.883 0.303 1 1 2259 . 2 1 1 A 232 232 GLU C C 445 177.156 178.775 -1.619 1 1 2260 . 2 1 1 A 232 232 GLU CA C 445 57.891 59.254 -1.363 1 1 2261 . 2 1 1 A 232 232 GLU CB C 445 28.836 29.579 -0.743 1 1 2263 . 2 1 1 A 232 232 GLU N N 445 120.074 122.879 -2.805 1 1 2294 . 2 1 1 A 252 252 GLN H H 465 8.586 7.793 0.793 1 1 2295 . 2 1 1 A 252 252 GLN HA H 465 4.689 4.569 0.120 1 1 2296 . 2 1 1 A 252 252 GLN C C 465 174.446 175.505 -1.059 1 1 2297 . 2 1 1 A 252 252 GLN CA C 465 53.682 56.953 -3.271 1 1 2298 . 2 1 1 A 252 252 GLN CB C 465 28.537 31.506 -2.969 1 1 2300 . 2 1 1 A 252 252 GLN N N 465 121.782 115.484 6.298 1 1 2301 . 2 1 1 A 253 253 PRO HA H 466 4.902 4.757 0.145 1 1 2302 . 2 1 1 A 253 253 PRO C C 466 174.937 175.266 -0.329 1 1 2303 . 2 1 1 A 253 253 PRO CA C 466 63.075 62.695 0.380 1 1 2304 . 2 1 1 A 253 253 PRO CB C 466 32.384 33.363 -0.979 1 1 2307 . 2 1 1 A 254 254 THR H H 467 8.556 8.593 -0.037 1 1 2308 . 2 1 1 A 254 254 THR HA H 467 4.659 4.882 -0.223 1 1 2313 . 2 1 1 A 254 254 THR C C 467 172.995 174.000 -1.005 1 1 2314 . 2 1 1 A 254 254 THR CA C 467 61.740 61.327 0.413 1 1 2315 . 2 1 1 A 254 254 THR CB C 467 70.195 70.996 -0.801 1 1 2317 . 2 1 1 A 254 254 THR N N 467 115.754 116.117 -0.363 1 1 2318 . 2 1 1 A 255 255 PHE H H 468 8.560 8.463 0.097 1 1 2319 . 2 1 1 A 255 255 PHE HA H 468 5.502 5.461 0.041 1 1 2322 . 2 1 1 A 255 255 PHE C C 468 173.198 173.750 -0.552 1 1 2323 . 2 1 1 A 255 255 PHE CA C 468 56.283 55.716 0.567 1 1 2324 . 2 1 1 A 255 255 PHE CB C 468 43.426 41.552 1.874 1 1 2325 . 2 1 1 A 255 255 PHE N N 468 120.481 122.125 -1.644 1 1 2326 . 2 1 1 A 256 256 THR H H 469 9.702 8.529 1.173 1 1 2327 . 2 1 1 A 256 256 THR HA H 469 4.662 5.121 -0.459 1 1 2332 . 2 1 1 A 256 256 THR C C 469 176.561 173.436 3.125 1 1 2333 . 2 1 1 A 256 256 THR CA C 469 59.948 60.685 -0.737 1 1 2334 . 2 1 1 A 256 256 THR CB C 469 69.145 70.805 -1.660 1 1 2336 . 2 1 1 A 256 256 THR N N 469 108.601 115.542 -6.941 1 1 2337 . 2 1 1 A 257 257 LEU H H 470 7.235 8.933 -1.698 1 1 2338 . 2 1 1 A 257 257 LEU HA H 470 4.401 4.771 -0.370 1 1 2348 . 2 1 1 A 257 257 LEU C C 470 175.975 176.539 -0.564 1 1 2349 . 2 1 1 A 257 257 LEU CA C 470 55.492 53.723 1.769 1 1 2350 . 2 1 1 A 257 257 LEU CB C 470 41.850 45.810 -3.960 1 1 2354 . 2 1 1 A 257 257 LEU N N 470 120.802 127.224 -6.422 1 1 2355 . 2 1 1 A 258 258 ARG H H 471 8.228 8.491 -0.263 1 1 2356 . 2 1 1 A 258 258 ARG HA H 471 4.631 4.225 0.406 1 1 2363 . 2 1 1 A 258 258 ARG C C 471 174.114 175.839 -1.725 1 1 2364 . 2 1 1 A 258 258 ARG CA C 471 55.071 57.665 -2.594 1 1 2365 . 2 1 1 A 258 258 ARG CB C 471 32.470 30.650 1.820 1 1 2368 . 2 1 1 A 258 258 ARG N N 471 118.883 123.322 -4.439 1 1 2369 . 2 1 1 A 259 259 LYS H H 472 7.217 7.670 -0.453 1 1 2370 . 2 1 1 A 259 259 LYS HA H 472 4.260 4.705 -0.445 1 1 2379 . 2 1 1 A 259 259 LYS C C 472 174.571 175.477 -0.906 1 1 2380 . 2 1 1 A 259 259 LYS CA C 472 53.269 54.390 -1.121 1 1 2381 . 2 1 1 A 259 259 LYS CB C 472 36.332 34.413 1.919 1 1 2385 . 2 1 1 A 259 259 LYS N N 472 116.031 117.777 -1.746 1 1 2386 . 2 1 1 A 260 260 LYS H H 473 8.357 8.481 -0.124 1 1 2387 . 2 1 1 A 260 260 LYS HA H 473 4.297 4.384 -0.087 1 1 2396 . 2 1 1 A 260 260 LYS C C 473 174.137 176.247 -2.110 1 1 2397 . 2 1 1 A 260 260 LYS CA C 473 57.258 56.710 0.548 1 1 2398 . 2 1 1 A 260 260 LYS CB C 473 33.561 33.277 0.284 1 1 2402 . 2 1 1 A 260 260 LYS N N 473 119.377 122.067 -2.690 1 1 2403 . 2 1 1 A 261 261 LEU H H 474 9.288 8.799 0.489 1 1 2404 . 2 1 1 A 261 261 LEU HA H 474 5.048 4.596 0.452 1 1 2414 . 2 1 1 A 261 261 LEU C C 474 172.558 176.137 -3.579 1 1 2415 . 2 1 1 A 261 261 LEU CA C 474 53.327 53.782 -0.455 1 1 2416 . 2 1 1 A 261 261 LEU CB C 474 44.313 42.899 1.414 1 1 2420 . 2 1 1 A 261 261 LEU N N 474 126.482 127.842 -1.360 1 1 2421 . 2 1 1 A 262 262 VAL H H 475 8.876 7.321 1.555 1 1 2422 . 2 1 1 A 262 262 VAL HA H 475 4.238 4.074 0.164 1 1 2430 . 2 1 1 A 262 262 VAL C C 475 174.243 175.474 -1.231 1 1 2431 . 2 1 1 A 262 262 VAL CA C 475 59.734 63.112 -3.378 1 1 2432 . 2 1 1 A 262 262 VAL CB C 475 34.790 32.095 2.695 1 1 2435 . 2 1 1 A 262 262 VAL N N 475 124.316 120.945 3.371 1 1 2436 . 2 1 1 A 263 263 PHE H H 476 8.826 8.857 -0.031 1 1 2437 . 2 1 1 A 263 263 PHE HA H 476 5.518 4.887 0.631 1 1 2443 . 2 1 1 A 263 263 PHE C C 476 171.887 174.127 -2.240 1 1 2444 . 2 1 1 A 263 263 PHE CA C 476 52.082 55.740 -3.658 1 1 2445 . 2 1 1 A 263 263 PHE CB C 476 39.792 40.263 -0.471 1 1 2449 . 2 1 1 A 263 263 PHE N N 476 122.867 127.579 -4.712 1 1 2450 . 2 1 1 A 264 264 PRO HA H 477 4.649 4.740 -0.091 1 1 2457 . 2 1 1 A 264 264 PRO C C 477 178.322 177.480 0.842 1 1 2458 . 2 1 1 A 264 264 PRO CA C 477 62.333 62.896 -0.563 1 1 2459 . 2 1 1 A 264 264 PRO CB C 477 32.553 32.763 -0.210 1 1 2462 . 2 1 1 A 265 265 SER H H 478 8.763 8.781 -0.018 1 1 2463 . 2 1 1 A 265 265 SER HA H 478 4.494 4.332 0.162 1 1 2466 . 2 1 1 A 265 265 SER C C 478 173.725 173.722 0.003 1 1 2467 . 2 1 1 A 265 265 SER CA C 478 59.060 60.109 -1.049 1 1 2468 . 2 1 1 A 265 265 SER CB C 478 64.038 64.078 -0.040 1 1 2469 . 2 1 1 A 265 265 SER N N 478 116.725 116.971 -0.246 1 1 17 . 3 1 1 A 12 12 VAL H H 225 7.819 8.251 -0.432 1 1 18 . 3 1 1 A 12 12 VAL HA H 225 4.946 3.917 1.029 1 1 26 . 3 1 1 A 12 12 VAL C C 225 175.898 176.039 -0.141 1 1 27 . 3 1 1 A 12 12 VAL CA C 225 59.650 62.767 -3.117 1 1 28 . 3 1 1 A 12 12 VAL CB C 225 35.296 31.983 3.313 1 1 31 . 3 1 1 A 12 12 VAL N N 225 117.637 123.180 -5.543 1 1 32 . 3 1 1 A 13 13 TYR H H 226 8.318 9.005 -0.687 1 1 33 . 3 1 1 A 13 13 TYR HA H 226 4.291 4.398 -0.107 1 1 36 . 3 1 1 A 13 13 TYR C C 226 176.911 175.863 1.048 1 1 37 . 3 1 1 A 13 13 TYR CA C 226 60.063 59.057 1.006 1 1 38 . 3 1 1 A 13 13 TYR CB C 226 37.843 36.332 1.511 1 1 39 . 3 1 1 A 13 13 TYR N N 226 122.976 128.300 -5.324 1 1 40 . 3 1 1 A 14 14 GLN H H 227 9.128 7.627 1.501 1 1 41 . 3 1 1 A 14 14 GLN HA H 227 3.996 4.057 -0.061 1 1 46 . 3 1 1 A 14 14 GLN C C 227 175.052 176.792 -1.740 1 1 47 . 3 1 1 A 14 14 GLN CA C 227 57.421 58.164 -0.743 1 1 48 . 3 1 1 A 14 14 GLN CB C 227 29.550 28.680 0.870 1 1 50 . 3 1 1 A 14 14 GLN N N 227 124.676 120.531 4.145 1 1 51 . 3 1 1 A 15 15 MET H H 228 8.465 7.819 0.646 1 1 52 . 3 1 1 A 15 15 MET HA H 228 5.210 4.600 0.610 1 1 60 . 3 1 1 A 15 15 MET C C 228 172.979 175.372 -2.393 1 1 61 . 3 1 1 A 15 15 MET CA C 228 52.955 54.191 -1.236 1 1 62 . 3 1 1 A 15 15 MET CB C 228 30.751 30.644 0.107 1 1 65 . 3 1 1 A 15 15 MET N N 228 128.835 117.020 11.815 1 1 66 . 3 1 1 A 16 16 LYS H H 229 9.119 8.547 0.572 1 1 67 . 3 1 1 A 16 16 LYS HA H 229 4.558 4.412 0.146 1 1 76 . 3 1 1 A 16 16 LYS C C 229 176.209 175.486 0.723 1 1 77 . 3 1 1 A 16 16 LYS CA C 229 55.916 54.887 1.029 1 1 78 . 3 1 1 A 16 16 LYS CB C 229 35.555 31.489 4.066 1 1 82 . 3 1 1 A 16 16 LYS N N 229 120.235 124.637 -4.402 1 1 83 . 3 1 1 A 17 17 SER H H 230 9.101 8.027 1.074 1 1 84 . 3 1 1 A 17 17 SER HA H 230 4.077 4.227 -0.150 1 1 87 . 3 1 1 A 17 17 SER C C 230 172.995 174.309 -1.314 1 1 88 . 3 1 1 A 17 17 SER CA C 230 59.615 59.807 -0.192 1 1 89 . 3 1 1 A 17 17 SER CB C 230 64.482 61.072 3.410 1 1 90 . 3 1 1 A 17 17 SER N N 230 121.500 111.542 9.958 1 1 91 . 3 1 1 A 18 18 LYS H H 231 8.120 7.765 0.355 1 1 92 . 3 1 1 A 18 18 LYS HA H 231 4.373 4.073 0.300 1 1 101 . 3 1 1 A 18 18 LYS C C 231 173.565 176.230 -2.665 1 1 102 . 3 1 1 A 18 18 LYS CA C 231 53.231 61.501 -8.270 1 1 103 . 3 1 1 A 18 18 LYS CB C 231 34.596 30.896 3.700 1 1 107 . 3 1 1 A 18 18 LYS N N 231 120.561 120.641 -0.080 1 1 108 . 3 1 1 A 19 19 PRO HA H 232 4.898 4.634 0.264 1 1 115 . 3 1 1 A 19 19 PRO C C 232 176.162 176.654 -0.492 1 1 116 . 3 1 1 A 19 19 PRO CA C 232 62.838 62.721 0.117 1 1 117 . 3 1 1 A 19 19 PRO CB C 232 34.997 33.086 1.911 1 1 120 . 3 1 1 A 20 20 ARG H H 233 8.782 9.022 -0.240 1 1 121 . 3 1 1 A 20 20 ARG HA H 233 3.651 4.572 -0.921 1 1 122 . 3 1 1 A 20 20 ARG C C 233 175.210 177.246 -2.036 1 1 123 . 3 1 1 A 20 20 ARG CA C 233 56.621 56.441 0.180 1 1 124 . 3 1 1 A 20 20 ARG CB C 233 30.581 31.730 -1.149 1 1 127 . 3 1 1 A 20 20 ARG N N 233 118.785 119.441 -0.656 1 1 128 . 3 1 1 A 21 21 GLY H H 234 6.490 8.094 -1.604 1 1 129 . 3 1 1 A 21 21 GLY HA2 H 234 4.312 4.276 0.036 1 1 130 . 3 1 1 A 21 21 GLY HA3 H 234 4.662 4.309 0.353 1 1 131 . 3 1 1 A 21 21 GLY C C 234 172.012 173.267 -1.255 1 1 132 . 3 1 1 A 21 21 GLY CA C 234 43.743 44.987 -1.244 1 1 133 . 3 1 1 A 21 21 GLY N N 234 128.529 107.719 20.810 1 1 134 . 3 1 1 A 22 22 TYR H H 235 9.327 9.081 0.246 1 1 135 . 3 1 1 A 22 22 TYR HA H 235 5.260 5.121 0.139 1 1 140 . 3 1 1 A 22 22 TYR C C 235 173.931 174.982 -1.051 1 1 141 . 3 1 1 A 22 22 TYR CA C 235 58.287 56.671 1.616 1 1 142 . 3 1 1 A 22 22 TYR CB C 235 39.762 38.480 1.282 1 1 145 . 3 1 1 A 22 22 TYR N N 235 119.429 120.387 -0.958 1 1 146 . 3 1 1 A 23 23 CYS H H 236 8.665 8.030 0.635 1 1 147 . 3 1 1 A 23 23 CYS HA H 236 4.928 4.659 0.269 1 1 148 . 3 1 1 A 23 23 CYS C C 236 172.970 174.596 -1.626 1 1 149 . 3 1 1 A 23 23 CYS CA C 236 55.636 59.356 -3.720 1 1 150 . 3 1 1 A 23 23 CYS CB C 236 50.040 29.084 20.956 1 1 151 . 3 1 1 A 23 23 CYS N N 236 120.485 121.691 -1.206 1 1 152 . 3 1 1 A 24 24 LEU H H 237 8.619 8.243 0.376 1 1 153 . 3 1 1 A 24 24 LEU HA H 237 4.691 5.048 -0.357 1 1 163 . 3 1 1 A 24 24 LEU C C 237 175.850 175.685 0.165 1 1 164 . 3 1 1 A 24 24 LEU CA C 237 54.053 54.693 -0.640 1 1 165 . 3 1 1 A 24 24 LEU CB C 237 44.117 43.855 0.262 1 1 169 . 3 1 1 A 24 24 LEU N N 237 129.465 123.749 5.716 1 1 170 . 3 1 1 A 25 25 ILE H H 238 8.304 8.468 -0.164 1 1 171 . 3 1 1 A 25 25 ILE HA H 238 4.639 5.014 -0.375 1 1 179 . 3 1 1 A 25 25 ILE C C 238 174.032 175.066 -1.034 1 1 180 . 3 1 1 A 25 25 ILE CA C 238 60.879 59.883 0.996 1 1 181 . 3 1 1 A 25 25 ILE CB C 238 41.165 38.642 2.523 1 1 185 . 3 1 1 A 25 25 ILE N N 238 122.597 125.227 -2.630 1 1 186 . 3 1 1 A 26 26 ILE H H 239 9.025 9.090 -0.065 1 1 187 . 3 1 1 A 26 26 ILE HA H 239 4.778 4.871 -0.093 1 1 197 . 3 1 1 A 26 26 ILE C C 239 173.104 174.983 -1.879 1 1 198 . 3 1 1 A 26 26 ILE CA C 239 60.733 59.744 0.989 1 1 199 . 3 1 1 A 26 26 ILE CB C 239 38.237 40.753 -2.516 1 1 203 . 3 1 1 A 26 26 ILE N N 239 129.303 128.354 0.949 1 1 204 . 3 1 1 A 27 27 ASN H H 240 8.957 8.759 0.198 1 1 205 . 3 1 1 A 27 27 ASN HA H 240 5.174 5.590 -0.416 1 1 208 . 3 1 1 A 27 27 ASN C C 240 172.948 173.306 -0.358 1 1 209 . 3 1 1 A 27 27 ASN CA C 240 52.055 51.491 0.564 1 1 210 . 3 1 1 A 27 27 ASN CB C 240 40.530 42.247 -1.717 1 1 211 . 3 1 1 A 27 27 ASN N N 240 125.494 124.698 0.796 1 1 212 . 3 1 1 A 28 28 ASN H H 241 9.118 8.938 0.180 1 1 213 . 3 1 1 A 28 28 ASN HA H 241 5.106 5.325 -0.219 1 1 216 . 3 1 1 A 28 28 ASN C C 241 172.184 174.796 -2.612 1 1 217 . 3 1 1 A 28 28 ASN CA C 241 52.599 52.187 0.412 1 1 218 . 3 1 1 A 28 28 ASN CB C 241 38.296 42.708 -4.412 1 1 219 . 3 1 1 A 28 28 ASN N N 241 125.089 117.696 7.393 1 1 220 . 3 1 1 A 29 29 HIS H H 242 9.512 8.661 0.851 1 1 221 . 3 1 1 A 29 29 HIS HA H 242 4.384 4.755 -0.371 1 1 224 . 3 1 1 A 29 29 HIS C C 242 173.519 175.239 -1.720 1 1 225 . 3 1 1 A 29 29 HIS CA C 242 59.174 57.559 1.615 1 1 226 . 3 1 1 A 29 29 HIS CB C 242 28.022 32.117 -4.095 1 1 227 . 3 1 1 A 29 29 HIS N N 242 125.634 118.196 7.438 1 1 228 . 3 1 1 A 30 30 ASN H H 243 8.623 7.893 0.730 1 1 229 . 3 1 1 A 30 30 ASN HA H 243 4.148 4.386 -0.238 1 1 234 . 3 1 1 A 30 30 ASN C C 243 175.052 175.439 -0.387 1 1 235 . 3 1 1 A 30 30 ASN CA C 243 53.229 52.676 0.553 1 1 236 . 3 1 1 A 30 30 ASN CB C 243 38.980 39.521 -0.541 1 1 237 . 3 1 1 A 30 30 ASN N N 243 119.059 115.437 3.622 1 1 239 . 3 1 1 A 31 31 PHE H H 244 8.676 8.122 0.554 1 1 240 . 3 1 1 A 31 31 PHE HA H 244 4.686 5.112 -0.426 1 1 243 . 3 1 1 A 31 31 PHE C C 244 174.399 176.398 -1.999 1 1 244 . 3 1 1 A 31 31 PHE CA C 244 57.688 56.881 0.807 1 1 245 . 3 1 1 A 31 31 PHE CB C 244 39.026 40.853 -1.827 1 1 246 . 3 1 1 A 31 31 PHE N N 244 124.091 116.693 7.398 1 1 247 . 3 1 1 A 32 32 ALA H H 245 8.244 7.956 0.288 1 1 248 . 3 1 1 A 32 32 ALA HA H 245 3.869 4.201 -0.332 1 1 252 . 3 1 1 A 32 32 ALA C C 245 180.452 178.593 1.859 1 1 253 . 3 1 1 A 32 32 ALA CA C 245 56.274 54.846 1.428 1 1 254 . 3 1 1 A 32 32 ALA CB C 245 18.181 18.426 -0.245 1 1 255 . 3 1 1 A 32 32 ALA N N 245 122.713 123.847 -1.134 1 1 256 . 3 1 1 A 33 33 LYS H H 246 8.964 7.943 1.021 1 1 257 . 3 1 1 A 33 33 LYS HA H 246 4.089 4.500 -0.411 1 1 266 . 3 1 1 A 33 33 LYS C C 246 177.441 177.465 -0.024 1 1 267 . 3 1 1 A 33 33 LYS CA C 246 58.632 56.104 2.528 1 1 268 . 3 1 1 A 33 33 LYS CB C 246 30.418 32.674 -2.256 1 1 272 . 3 1 1 A 33 33 LYS N N 246 116.888 115.460 1.428 1 1 273 . 3 1 1 A 34 34 ALA H H 247 7.088 7.734 -0.646 1 1 274 . 3 1 1 A 34 34 ALA HA H 247 3.752 4.312 -0.560 1 1 278 . 3 1 1 A 34 34 ALA C C 247 177.581 178.974 -1.393 1 1 279 . 3 1 1 A 34 34 ALA CA C 247 55.502 52.784 2.718 1 1 280 . 3 1 1 A 34 34 ALA CB C 247 18.099 19.733 -1.634 1 1 281 . 3 1 1 A 34 34 ALA N N 247 122.047 121.700 0.347 1 1 282 . 3 1 1 A 35 35 ARG H H 248 7.706 8.275 -0.569 1 1 283 . 3 1 1 A 35 35 ARG HA H 248 4.338 4.140 0.198 1 1 292 . 3 1 1 A 35 35 ARG C C 248 179.094 178.041 1.053 1 1 293 . 3 1 1 A 35 35 ARG CA C 248 56.283 59.755 -3.472 1 1 294 . 3 1 1 A 35 35 ARG CB C 248 30.668 30.251 0.417 1 1 297 . 3 1 1 A 35 35 ARG N N 248 112.008 118.093 -6.085 1 1 299 . 3 1 1 A 36 36 GLU H H 249 7.707 8.145 -0.438 1 1 300 . 3 1 1 A 36 36 GLU HA H 249 4.121 4.248 -0.127 1 1 305 . 3 1 1 A 36 36 GLU C C 249 178.205 178.735 -0.530 1 1 306 . 3 1 1 A 36 36 GLU CA C 249 58.194 57.814 0.380 1 1 307 . 3 1 1 A 36 36 GLU CB C 249 30.596 29.992 0.604 1 1 309 . 3 1 1 A 36 36 GLU N N 249 116.945 117.391 -0.446 1 1 310 . 3 1 1 A 37 37 LYS H H 250 7.954 7.878 0.076 1 1 311 . 3 1 1 A 37 37 LYS HA H 250 4.381 4.247 0.134 1 1 320 . 3 1 1 A 37 37 LYS C C 250 176.772 177.377 -0.605 1 1 321 . 3 1 1 A 37 37 LYS CA C 250 57.323 58.026 -0.703 1 1 322 . 3 1 1 A 37 37 LYS CB C 250 34.892 33.424 1.468 1 1 326 . 3 1 1 A 37 37 LYS N N 250 114.798 118.766 -3.968 1 1 327 . 3 1 1 A 38 38 VAL H H 251 8.298 8.280 0.018 1 1 328 . 3 1 1 A 38 38 VAL HA H 251 4.582 4.516 0.066 1 1 336 . 3 1 1 A 38 38 VAL C C 251 174.903 175.070 -0.167 1 1 337 . 3 1 1 A 38 38 VAL CA C 251 60.316 59.273 1.043 1 1 338 . 3 1 1 A 38 38 VAL CB C 251 32.374 31.676 0.698 1 1 341 . 3 1 1 A 38 38 VAL N N 251 120.907 114.761 6.146 1 1 342 . 3 1 1 A 40 40 LYS H H 253 8.588 8.899 -0.311 1 1 343 . 3 1 1 A 40 40 LYS HA H 253 4.275 4.298 -0.023 1 1 352 . 3 1 1 A 40 40 LYS C C 253 176.447 177.535 -1.088 1 1 353 . 3 1 1 A 40 40 LYS CA C 253 58.550 58.761 -0.211 1 1 354 . 3 1 1 A 40 40 LYS CB C 253 31.568 31.712 -0.144 1 1 358 . 3 1 1 A 40 40 LYS N N 253 113.861 116.415 -2.554 1 1 359 . 3 1 1 A 41 41 LEU H H 254 7.948 7.905 0.043 1 1 360 . 3 1 1 A 41 41 LEU HA H 254 4.391 4.562 -0.171 1 1 370 . 3 1 1 A 41 41 LEU C C 254 175.989 177.937 -1.948 1 1 371 . 3 1 1 A 41 41 LEU CA C 254 53.279 54.531 -1.252 1 1 372 . 3 1 1 A 41 41 LEU CB C 254 40.369 41.543 -1.174 1 1 376 . 3 1 1 A 41 41 LEU N N 254 118.998 119.891 -0.893 1 1 377 . 3 1 1 A 42 42 HIS H H 255 7.167 8.211 -1.044 1 1 378 . 3 1 1 A 42 42 HIS HA H 255 4.376 4.501 -0.125 1 1 382 . 3 1 1 A 42 42 HIS C C 255 174.836 176.814 -1.978 1 1 383 . 3 1 1 A 42 42 HIS CA C 255 59.188 57.200 1.988 1 1 384 . 3 1 1 A 42 42 HIS CB C 255 30.311 29.740 0.571 1 1 386 . 3 1 1 A 42 42 HIS N N 255 116.251 119.550 -3.299 1 1 387 . 3 1 1 A 43 43 SER H H 256 7.735 7.859 -0.124 1 1 388 . 3 1 1 A 43 43 SER HA H 256 4.490 3.771 0.719 1 1 391 . 3 1 1 A 43 43 SER C C 256 174.045 175.958 -1.913 1 1 392 . 3 1 1 A 43 43 SER CA C 256 56.420 60.485 -4.065 1 1 393 . 3 1 1 A 43 43 SER CB C 256 64.093 62.822 1.271 1 1 394 . 3 1 1 A 43 43 SER N N 256 110.725 114.897 -4.172 1 1 395 . 3 1 1 A 44 44 ILE H H 257 7.403 7.603 -0.200 1 1 396 . 3 1 1 A 44 44 ILE HA H 257 3.806 4.129 -0.323 1 1 406 . 3 1 1 A 44 44 ILE C C 257 174.321 177.894 -3.573 1 1 407 . 3 1 1 A 44 44 ILE CA C 257 61.640 63.179 -1.539 1 1 408 . 3 1 1 A 44 44 ILE CB C 257 38.324 37.574 0.750 1 1 412 . 3 1 1 A 44 44 ILE N N 257 124.717 119.015 5.702 1 1 413 . 3 1 1 A 45 45 ARG H H 258 8.043 7.625 0.418 1 1 414 . 3 1 1 A 45 45 ARG HA H 258 4.201 3.670 0.531 1 1 421 . 3 1 1 A 45 45 ARG C C 258 177.535 176.653 0.882 1 1 422 . 3 1 1 A 45 45 ARG CA C 258 55.412 58.637 -3.225 1 1 423 . 3 1 1 A 45 45 ARG CB C 258 31.546 29.479 2.067 1 1 426 . 3 1 1 A 45 45 ARG N N 258 124.319 122.658 1.661 1 1 427 . 3 1 1 A 46 46 ASP H H 259 8.584 7.672 0.912 1 1 428 . 3 1 1 A 46 46 ASP HA H 259 5.096 4.786 0.310 1 1 431 . 3 1 1 A 46 46 ASP C C 259 177.819 175.852 1.967 1 1 432 . 3 1 1 A 46 46 ASP CA C 259 55.248 53.187 2.061 1 1 433 . 3 1 1 A 46 46 ASP CB C 259 39.614 38.840 0.774 1 1 434 . 3 1 1 A 46 46 ASP N N 259 120.371 117.304 3.067 1 1 435 . 3 1 1 A 47 47 ARG H H 260 8.632 8.374 0.258 1 1 442 . 3 1 1 A 47 47 ARG CA C 260 56.228 58.587 -2.359 1 1 443 . 3 1 1 A 47 47 ARG CB C 260 26.981 29.978 -2.997 1 1 445 . 3 1 1 A 47 47 ARG N N 260 123.120 124.683 -1.563 1 1 447 . 3 1 1 A 51 51 HIS HA H 264 4.293 4.533 -0.240 1 1 451 . 3 1 1 A 51 51 HIS C C 264 178.002 175.765 2.237 1 1 452 . 3 1 1 A 51 51 HIS CA C 264 60.062 56.868 3.194 1 1 453 . 3 1 1 A 51 51 HIS CB C 264 29.109 30.103 -0.994 1 1 455 . 3 1 1 A 52 52 LEU H H 265 7.474 7.624 -0.150 1 1 456 . 3 1 1 A 52 52 LEU HA H 265 4.125 4.080 0.045 1 1 466 . 3 1 1 A 52 52 LEU C C 265 180.623 178.520 2.103 1 1 467 . 3 1 1 A 52 52 LEU CA C 265 56.921 56.643 0.278 1 1 468 . 3 1 1 A 52 52 LEU CB C 265 40.572 41.754 -1.182 1 1 472 . 3 1 1 A 52 52 LEU N N 265 122.692 121.114 1.578 1 1 473 . 3 1 1 A 53 53 ASP H H 266 6.993 7.925 -0.932 1 1 474 . 3 1 1 A 53 53 ASP C C 266 176.536 178.046 -1.510 1 1 475 . 3 1 1 A 53 53 ASP CA C 266 56.718 56.607 0.111 1 1 476 . 3 1 1 A 53 53 ASP CB C 266 39.787 41.446 -1.659 1 1 477 . 3 1 1 A 53 53 ASP N N 266 122.192 119.836 2.356 1 1 478 . 3 1 1 A 54 54 ALA H H 267 8.217 8.085 0.132 1 1 479 . 3 1 1 A 54 54 ALA HA H 267 3.840 4.282 -0.442 1 1 483 . 3 1 1 A 54 54 ALA C C 267 180.507 180.169 0.338 1 1 484 . 3 1 1 A 54 54 ALA CA C 267 55.836 55.051 0.785 1 1 485 . 3 1 1 A 54 54 ALA CB C 267 17.386 18.949 -1.563 1 1 486 . 3 1 1 A 54 54 ALA N N 267 121.612 121.851 -0.239 1 1 487 . 3 1 1 A 55 55 GLY H H 268 8.481 8.369 0.112 1 1 488 . 3 1 1 A 55 55 GLY C C 268 174.929 176.293 -1.364 1 1 489 . 3 1 1 A 55 55 GLY CA C 268 46.546 47.122 -0.576 1 1 490 . 3 1 1 A 55 55 GLY N N 268 107.453 106.208 1.245 1 1 491 . 3 1 1 A 56 56 ALA H H 269 7.759 8.125 -0.366 1 1 492 . 3 1 1 A 56 56 ALA HA H 269 4.190 4.105 0.085 1 1 496 . 3 1 1 A 56 56 ALA C C 269 180.493 179.938 0.555 1 1 497 . 3 1 1 A 56 56 ALA CA C 269 55.311 54.419 0.892 1 1 498 . 3 1 1 A 56 56 ALA CB C 269 17.951 18.664 -0.713 1 1 499 . 3 1 1 A 56 56 ALA N N 269 125.518 125.192 0.326 1 1 500 . 3 1 1 A 57 57 LEU H H 270 8.224 8.111 0.113 1 1 501 . 3 1 1 A 57 57 LEU HA H 270 3.840 4.099 -0.259 1 1 506 . 3 1 1 A 57 57 LEU C C 270 177.499 179.398 -1.899 1 1 507 . 3 1 1 A 57 57 LEU CA C 270 58.315 57.871 0.444 1 1 508 . 3 1 1 A 57 57 LEU CB C 270 43.182 42.044 1.138 1 1 511 . 3 1 1 A 57 57 LEU N N 270 121.610 119.492 2.118 1 1 512 . 3 1 1 A 58 58 THR H H 271 7.976 8.087 -0.111 1 1 513 . 3 1 1 A 58 58 THR HA H 271 4.432 3.979 0.453 1 1 518 . 3 1 1 A 58 58 THR C C 271 174.457 176.346 -1.889 1 1 519 . 3 1 1 A 58 58 THR CA C 271 68.788 66.713 2.075 1 1 520 . 3 1 1 A 58 58 THR CB C 271 67.557 68.606 -1.049 1 1 522 . 3 1 1 A 58 58 THR N N 271 115.528 113.192 2.336 1 1 523 . 3 1 1 A 59 59 THR H H 272 8.085 8.860 -0.775 1 1 524 . 3 1 1 A 59 59 THR HA H 272 3.911 3.930 -0.019 1 1 529 . 3 1 1 A 59 59 THR C C 272 176.131 176.806 -0.675 1 1 530 . 3 1 1 A 59 59 THR CA C 272 65.908 65.503 0.405 1 1 531 . 3 1 1 A 59 59 THR CB C 272 69.045 69.066 -0.021 1 1 533 . 3 1 1 A 59 59 THR N N 272 114.864 114.342 0.522 1 1 534 . 3 1 1 A 60 60 THR H H 273 7.875 8.089 -0.214 1 1 535 . 3 1 1 A 60 60 THR HA H 273 3.423 3.822 -0.399 1 1 540 . 3 1 1 A 60 60 THR C C 273 175.166 175.933 -0.767 1 1 541 . 3 1 1 A 60 60 THR CA C 273 67.291 66.657 0.634 1 1 542 . 3 1 1 A 60 60 THR CB C 273 68.824 68.638 0.186 1 1 544 . 3 1 1 A 60 60 THR N N 273 116.718 117.222 -0.504 1 1 545 . 3 1 1 A 61 61 PHE H H 274 8.219 7.647 0.572 1 1 546 . 3 1 1 A 61 61 PHE HA H 274 4.213 4.524 -0.311 1 1 552 . 3 1 1 A 61 61 PHE C C 274 178.034 178.057 -0.023 1 1 553 . 3 1 1 A 61 61 PHE CA C 274 63.308 61.699 1.609 1 1 554 . 3 1 1 A 61 61 PHE CB C 274 37.080 38.939 -1.859 1 1 558 . 3 1 1 A 61 61 PHE N N 274 114.721 118.265 -3.544 1 1 559 . 3 1 1 A 62 62 GLU H H 275 8.810 8.698 0.112 1 1 560 . 3 1 1 A 62 62 GLU HA H 275 4.416 3.891 0.525 1 1 565 . 3 1 1 A 62 62 GLU C C 275 181.232 178.757 2.475 1 1 566 . 3 1 1 A 62 62 GLU CA C 275 60.190 59.565 0.625 1 1 567 . 3 1 1 A 62 62 GLU CB C 275 28.990 29.330 -0.340 1 1 569 . 3 1 1 A 62 62 GLU N N 275 123.787 121.622 2.165 1 1 570 . 3 1 1 A 63 63 GLU H H 276 7.698 8.082 -0.384 1 1 571 . 3 1 1 A 63 63 GLU HA H 276 3.871 4.018 -0.147 1 1 575 . 3 1 1 A 63 63 GLU C C 276 176.721 176.958 -0.237 1 1 576 . 3 1 1 A 63 63 GLU CA C 276 58.821 58.007 0.814 1 1 577 . 3 1 1 A 63 63 GLU CB C 276 29.251 28.342 0.909 1 1 579 . 3 1 1 A 63 63 GLU N N 276 120.707 116.645 4.062 1 1 580 . 3 1 1 A 64 64 LEU H H 277 6.708 7.745 -1.037 1 1 581 . 3 1 1 A 64 64 LEU HA H 277 4.148 4.269 -0.121 1 1 589 . 3 1 1 A 64 64 LEU C C 277 174.571 175.940 -1.369 1 1 590 . 3 1 1 A 64 64 LEU CA C 277 54.060 54.810 -0.750 1 1 594 . 3 1 1 A 64 64 LEU N N 277 115.451 119.296 -3.845 1 1 595 . 3 1 1 A 65 65 HIS H H 278 7.388 7.831 -0.443 1 1 596 . 3 1 1 A 65 65 HIS HA H 278 4.259 4.232 0.027 1 1 599 . 3 1 1 A 65 65 HIS C C 278 174.571 173.655 0.916 1 1 600 . 3 1 1 A 65 65 HIS CA C 278 57.737 57.240 0.497 1 1 601 . 3 1 1 A 65 65 HIS CB C 278 26.020 26.900 -0.880 1 1 602 . 3 1 1 A 65 65 HIS N N 278 107.287 115.219 -7.932 1 1 603 . 3 1 1 A 66 66 PHE H H 279 8.554 7.502 1.052 1 1 604 . 3 1 1 A 66 66 PHE HA H 279 4.462 4.955 -0.493 1 1 610 . 3 1 1 A 66 66 PHE C C 279 174.258 173.235 1.023 1 1 611 . 3 1 1 A 66 66 PHE CA C 279 58.032 56.076 1.956 1 1 612 . 3 1 1 A 66 66 PHE CB C 279 39.809 41.435 -1.626 1 1 616 . 3 1 1 A 66 66 PHE N N 279 117.992 113.410 4.582 1 1 617 . 3 1 1 A 67 67 GLU H H 280 8.403 9.255 -0.852 1 1 618 . 3 1 1 A 67 67 GLU HA H 280 4.631 4.402 0.229 1 1 621 . 3 1 1 A 67 67 GLU C C 280 174.640 175.678 -1.038 1 1 622 . 3 1 1 A 67 67 GLU CA C 280 55.467 56.737 -1.270 1 1 623 . 3 1 1 A 67 67 GLU CB C 280 30.671 30.324 0.347 1 1 625 . 3 1 1 A 67 67 GLU N N 280 120.980 122.418 -1.438 1 1 626 . 3 1 1 A 68 68 ILE H H 281 8.988 8.547 0.441 1 1 627 . 3 1 1 A 68 68 ILE HA H 281 4.491 4.139 0.352 1 1 636 . 3 1 1 A 68 68 ILE C C 281 176.177 175.468 0.709 1 1 637 . 3 1 1 A 68 68 ILE CA C 281 59.688 60.849 -1.161 1 1 638 . 3 1 1 A 68 68 ILE CB C 281 35.090 39.894 -4.804 1 1 642 . 3 1 1 A 68 68 ILE N N 281 127.994 124.274 3.720 1 1 643 . 3 1 1 A 69 69 LYS H H 282 8.559 7.729 0.830 1 1 644 . 3 1 1 A 69 69 LYS HA H 282 4.981 3.752 1.229 1 1 645 . 3 1 1 A 69 69 LYS CA C 282 50.465 56.850 -6.385 1 1 646 . 3 1 1 A 69 69 LYS CB C 282 32.762 30.779 1.983 1 1 649 . 3 1 1 A 69 69 LYS N N 282 126.350 121.623 4.727 1 1 650 . 3 1 1 A 70 70 PRO HA H 283 5.133 4.644 0.489 1 1 651 . 3 1 1 A 70 70 PRO C C 283 176.378 176.876 -0.498 1 1 652 . 3 1 1 A 70 70 PRO CA C 283 62.027 62.410 -0.383 1 1 653 . 3 1 1 A 70 70 PRO CB C 283 32.856 29.620 3.236 1 1 655 . 3 1 1 A 71 71 HIS H H 284 8.967 8.310 0.657 1 1 656 . 3 1 1 A 71 71 HIS HA H 284 4.465 4.802 -0.337 1 1 660 . 3 1 1 A 71 71 HIS C C 284 172.714 175.551 -2.837 1 1 661 . 3 1 1 A 71 71 HIS CA C 284 55.994 56.630 -0.636 1 1 662 . 3 1 1 A 71 71 HIS CB C 284 33.678 30.433 3.245 1 1 664 . 3 1 1 A 71 71 HIS N N 284 121.708 122.652 -0.944 1 1 665 . 3 1 1 A 72 72 ASP H H 285 8.625 8.447 0.178 1 1 666 . 3 1 1 A 72 72 ASP HA H 285 5.695 4.706 0.989 1 1 669 . 3 1 1 A 72 72 ASP C C 285 175.881 175.476 0.405 1 1 670 . 3 1 1 A 72 72 ASP CA C 285 53.201 52.487 0.714 1 1 671 . 3 1 1 A 72 72 ASP CB C 285 43.758 41.360 2.398 1 1 672 . 3 1 1 A 72 72 ASP N N 285 122.941 120.532 2.409 1 1 673 . 3 1 1 A 73 73 ASP H H 286 9.212 8.677 0.535 1 1 674 . 3 1 1 A 73 73 ASP HA H 286 4.263 4.769 -0.506 1 1 676 . 3 1 1 A 73 73 ASP C C 286 174.368 175.895 -1.527 1 1 677 . 3 1 1 A 73 73 ASP CA C 286 56.488 54.836 1.652 1 1 678 . 3 1 1 A 73 73 ASP CB C 286 39.083 40.880 -1.797 1 1 679 . 3 1 1 A 73 73 ASP N N 286 119.175 118.484 0.691 1 1 680 . 3 1 1 A 74 74 CYS H H 287 8.750 8.746 0.004 1 1 681 . 3 1 1 A 74 74 CYS HA H 287 4.854 5.285 -0.431 1 1 684 . 3 1 1 A 74 74 CYS C C 287 176.146 173.830 2.316 1 1 685 . 3 1 1 A 74 74 CYS CA C 287 58.552 58.013 0.539 1 1 686 . 3 1 1 A 74 74 CYS CB C 287 53.204 29.878 23.326 1 1 687 . 3 1 1 A 74 74 CYS N N 287 119.631 121.826 -2.195 1 1 688 . 3 1 1 A 75 75 THR H H 288 8.535 8.782 -0.247 1 1 689 . 3 1 1 A 75 75 THR HA H 288 4.163 4.510 -0.347 1 1 694 . 3 1 1 A 75 75 THR C C 288 174.663 175.577 -0.914 1 1 695 . 3 1 1 A 75 75 THR CA C 288 61.353 61.477 -0.124 1 1 696 . 3 1 1 A 75 75 THR CB C 288 70.100 70.784 -0.684 1 1 698 . 3 1 1 A 75 75 THR N N 288 115.998 116.803 -0.805 1 1 699 . 3 1 1 A 76 76 VAL H H 289 8.083 8.753 -0.670 1 1 700 . 3 1 1 A 76 76 VAL HA H 289 3.414 3.922 -0.508 1 1 708 . 3 1 1 A 76 76 VAL C C 289 176.443 177.427 -0.984 1 1 709 . 3 1 1 A 76 76 VAL CA C 289 69.066 65.371 3.695 1 1 710 . 3 1 1 A 76 76 VAL CB C 289 30.361 31.652 -1.291 1 1 713 . 3 1 1 A 76 76 VAL N N 289 120.599 122.154 -1.555 1 1 714 . 3 1 1 A 77 77 GLU H H 290 9.095 8.391 0.704 1 1 715 . 3 1 1 A 77 77 GLU HA H 290 4.027 3.829 0.198 1 1 720 . 3 1 1 A 77 77 GLU C C 290 179.172 178.717 0.455 1 1 721 . 3 1 1 A 77 77 GLU CA C 290 59.831 59.727 0.104 1 1 722 . 3 1 1 A 77 77 GLU CB C 290 29.493 29.096 0.397 1 1 724 . 3 1 1 A 77 77 GLU N N 290 119.191 122.588 -3.397 1 1 725 . 3 1 1 A 78 78 GLN H H 291 7.523 7.770 -0.247 1 1 726 . 3 1 1 A 78 78 GLN HA H 291 4.079 4.192 -0.113 1 1 731 . 3 1 1 A 78 78 GLN C C 291 177.815 178.351 -0.536 1 1 732 . 3 1 1 A 78 78 GLN CA C 291 58.920 58.216 0.704 1 1 734 . 3 1 1 A 78 78 GLN N N 291 117.101 117.840 -0.739 1 1 735 . 3 1 1 A 79 79 ILE H H 292 8.368 7.978 0.390 1 1 736 . 3 1 1 A 79 79 ILE HA H 292 3.427 3.770 -0.343 1 1 746 . 3 1 1 A 79 79 ILE C C 292 177.133 177.611 -0.478 1 1 747 . 3 1 1 A 79 79 ILE CA C 292 67.132 65.472 1.660 1 1 748 . 3 1 1 A 79 79 ILE CB C 292 37.163 37.707 -0.544 1 1 752 . 3 1 1 A 79 79 ILE N N 292 120.006 120.339 -0.333 1 1 753 . 3 1 1 A 80 80 TYR H H 293 8.302 8.589 -0.287 1 1 754 . 3 1 1 A 80 80 TYR HA H 293 4.179 4.415 -0.236 1 1 759 . 3 1 1 A 80 80 TYR C C 293 178.907 178.515 0.392 1 1 760 . 3 1 1 A 80 80 TYR CA C 293 61.737 60.253 1.484 1 1 761 . 3 1 1 A 80 80 TYR CB C 293 37.201 37.783 -0.582 1 1 764 . 3 1 1 A 80 80 TYR N N 293 116.291 120.237 -3.946 1 1 765 . 3 1 1 A 81 81 GLU H H 294 8.170 8.193 -0.023 1 1 766 . 3 1 1 A 81 81 GLU HA H 294 4.036 4.165 -0.129 1 1 771 . 3 1 1 A 81 81 GLU C C 294 178.414 178.647 -0.233 1 1 772 . 3 1 1 A 81 81 GLU CA C 294 59.768 58.699 1.069 1 1 773 . 3 1 1 A 81 81 GLU CB C 294 29.489 29.153 0.336 1 1 775 . 3 1 1 A 81 81 GLU N N 294 120.325 120.009 0.316 1 1 776 . 3 1 1 A 82 82 ILE H H 295 8.501 7.816 0.685 1 1 777 . 3 1 1 A 82 82 ILE HA H 295 3.675 3.648 0.027 1 1 787 . 3 1 1 A 82 82 ILE C C 295 177.751 177.625 0.126 1 1 788 . 3 1 1 A 82 82 ILE CA C 295 65.288 64.394 0.894 1 1 789 . 3 1 1 A 82 82 ILE CB C 295 38.497 36.884 1.613 1 1 793 . 3 1 1 A 82 82 ILE N N 295 120.434 121.032 -0.598 1 1 794 . 3 1 1 A 83 83 LEU H H 296 8.508 8.043 0.465 1 1 795 . 3 1 1 A 83 83 LEU HA H 296 4.289 3.563 0.726 1 1 805 . 3 1 1 A 83 83 LEU C C 296 178.393 179.460 -1.067 1 1 806 . 3 1 1 A 83 83 LEU CA C 296 58.937 57.136 1.801 1 1 807 . 3 1 1 A 83 83 LEU CB C 296 39.626 40.922 -1.296 1 1 811 . 3 1 1 A 83 83 LEU N N 296 116.807 120.575 -3.768 1 1 812 . 3 1 1 A 84 84 LYS H H 297 8.048 8.034 0.014 1 1 813 . 3 1 1 A 84 84 LYS HA H 297 3.967 3.985 -0.018 1 1 820 . 3 1 1 A 84 84 LYS C C 297 177.773 178.832 -1.059 1 1 821 . 3 1 1 A 84 84 LYS CA C 297 58.890 58.910 -0.020 1 1 822 . 3 1 1 A 84 84 LYS CB C 297 31.169 32.053 -0.884 1 1 826 . 3 1 1 A 84 84 LYS N N 297 118.687 118.322 0.365 1 1 827 . 3 1 1 A 85 85 ILE H H 298 7.694 7.329 0.365 1 1 828 . 3 1 1 A 85 85 ILE HA H 298 3.456 3.728 -0.272 1 1 838 . 3 1 1 A 85 85 ILE C C 298 179.100 177.843 1.257 1 1 839 . 3 1 1 A 85 85 ILE CA C 298 65.307 64.608 0.699 1 1 840 . 3 1 1 A 85 85 ILE CB C 298 36.965 37.335 -0.370 1 1 844 . 3 1 1 A 85 85 ILE N N 298 118.157 120.706 -2.549 1 1 845 . 3 1 1 A 86 86 TYR H H 299 7.613 7.060 0.553 1 1 846 . 3 1 1 A 86 86 TYR HA H 299 4.103 4.364 -0.261 1 1 851 . 3 1 1 A 86 86 TYR C C 299 177.425 177.857 -0.432 1 1 852 . 3 1 1 A 86 86 TYR CA C 299 63.129 60.338 2.791 1 1 853 . 3 1 1 A 86 86 TYR CB C 299 38.745 37.849 0.896 1 1 856 . 3 1 1 A 86 86 TYR N N 299 115.499 120.646 -5.147 1 1 857 . 3 1 1 A 87 87 GLN H H 300 9.112 8.545 0.567 1 1 858 . 3 1 1 A 87 87 GLN HA H 300 3.977 4.051 -0.074 1 1 861 . 3 1 1 A 87 87 GLN C C 300 176.380 176.684 -0.304 1 1 862 . 3 1 1 A 87 87 GLN CA C 300 58.976 57.698 1.278 1 1 863 . 3 1 1 A 87 87 GLN CB C 300 28.819 28.174 0.645 1 1 865 . 3 1 1 A 87 87 GLN N N 300 125.039 117.068 7.971 1 1 866 . 3 1 1 A 88 88 LEU H H 301 7.536 7.873 -0.337 1 1 867 . 3 1 1 A 88 88 LEU HA H 301 4.309 4.198 0.111 1 1 877 . 3 1 1 A 88 88 LEU C C 301 177.129 178.722 -1.593 1 1 878 . 3 1 1 A 88 88 LEU CA C 301 55.142 55.748 -0.606 1 1 879 . 3 1 1 A 88 88 LEU CB C 301 41.809 42.176 -0.367 1 1 883 . 3 1 1 A 88 88 LEU N N 301 115.623 119.601 -3.978 1 1 884 . 3 1 1 A 89 89 MET H H 302 7.025 7.677 -0.652 1 1 885 . 3 1 1 A 89 89 MET HA H 302 4.031 3.865 0.166 1 1 893 . 3 1 1 A 89 89 MET C C 302 172.664 175.355 -2.691 1 1 894 . 3 1 1 A 89 89 MET CA C 302 55.513 58.787 -3.274 1 1 895 . 3 1 1 A 89 89 MET CB C 302 33.748 32.500 1.248 1 1 898 . 3 1 1 A 89 89 MET N N 302 120.789 119.030 1.759 1 1 899 . 3 1 1 A 90 90 ASP H H 303 8.056 7.859 0.197 1 1 900 . 3 1 1 A 90 90 ASP HA H 303 4.746 4.201 0.545 1 1 903 . 3 1 1 A 90 90 ASP C C 303 177.139 175.205 1.934 1 1 904 . 3 1 1 A 90 90 ASP CA C 303 54.411 55.178 -0.767 1 1 905 . 3 1 1 A 90 90 ASP CB C 303 40.987 39.059 1.928 1 1 906 . 3 1 1 A 90 90 ASP N N 303 117.873 116.236 1.637 1 1 907 . 3 1 1 A 91 91 HIS H H 304 9.371 7.729 1.642 1 1 908 . 3 1 1 A 91 91 HIS HA H 304 4.657 4.397 0.260 1 1 912 . 3 1 1 A 91 91 HIS C C 304 177.332 175.864 1.468 1 1 913 . 3 1 1 A 91 91 HIS CA C 304 56.031 57.149 -1.118 1 1 914 . 3 1 1 A 91 91 HIS CB C 304 31.150 29.918 1.232 1 1 916 . 3 1 1 A 91 91 HIS N N 304 126.666 117.696 8.970 1 1 917 . 3 1 1 A 92 92 SER H H 305 8.952 8.969 -0.017 1 1 918 . 3 1 1 A 92 92 SER HA H 305 4.055 4.472 -0.417 1 1 921 . 3 1 1 A 92 92 SER CA C 305 63.687 59.060 4.627 1 1 922 . 3 1 1 A 92 92 SER CB C 305 62.694 64.318 -1.624 1 1 923 . 3 1 1 A 92 92 SER N N 305 118.610 116.833 1.777 1 1 924 . 3 1 1 A 93 93 ASN H H 306 8.745 8.122 0.623 1 1 925 . 3 1 1 A 93 93 ASN HA H 306 4.803 4.898 -0.095 1 1 928 . 3 1 1 A 93 93 ASN C C 306 173.428 175.522 -2.094 1 1 929 . 3 1 1 A 93 93 ASN CA C 306 53.018 53.060 -0.042 1 1 930 . 3 1 1 A 93 93 ASN CB C 306 38.033 40.044 -2.011 1 1 931 . 3 1 1 A 93 93 ASN N N 306 116.257 118.620 -2.363 1 1 932 . 3 1 1 A 94 94 MET H H 307 7.942 7.762 0.180 1 1 933 . 3 1 1 A 94 94 MET HA H 307 4.683 4.599 0.084 1 1 939 . 3 1 1 A 94 94 MET C C 307 174.640 175.955 -1.315 1 1 940 . 3 1 1 A 94 94 MET CA C 307 53.564 54.362 -0.798 1 1 941 . 3 1 1 A 94 94 MET CB C 307 33.988 33.378 0.610 1 1 944 . 3 1 1 A 94 94 MET N N 307 117.799 121.334 -3.535 1 1 945 . 3 1 1 A 95 95 ASP H H 308 8.276 8.883 -0.607 1 1 946 . 3 1 1 A 95 95 ASP HA H 308 5.172 4.950 0.222 1 1 949 . 3 1 1 A 95 95 ASP C C 308 176.264 174.734 1.530 1 1 950 . 3 1 1 A 95 95 ASP CA C 308 55.617 54.064 1.553 1 1 951 . 3 1 1 A 95 95 ASP CB C 308 45.114 42.185 2.929 1 1 952 . 3 1 1 A 95 95 ASP N N 308 119.567 126.215 -6.648 1 1 953 . 3 1 1 A 96 96 CYS H H 309 8.215 7.634 0.581 1 1 954 . 3 1 1 A 96 96 CYS HA H 309 4.680 4.551 0.129 1 1 957 . 3 1 1 A 96 96 CYS C C 309 170.157 173.105 -2.948 1 1 958 . 3 1 1 A 96 96 CYS CA C 309 57.203 56.557 0.646 1 1 959 . 3 1 1 A 96 96 CYS CB C 309 52.974 29.636 23.338 1 1 960 . 3 1 1 A 96 96 CYS N N 309 118.264 118.822 -0.558 1 1 961 . 3 1 1 A 97 97 PHE H H 310 8.108 8.210 -0.102 1 1 962 . 3 1 1 A 97 97 PHE HA H 310 5.071 5.252 -0.181 1 1 967 . 3 1 1 A 97 97 PHE C C 310 171.279 172.805 -1.526 1 1 968 . 3 1 1 A 97 97 PHE CA C 310 57.910 56.326 1.584 1 1 969 . 3 1 1 A 97 97 PHE CB C 310 44.724 40.654 4.070 1 1 972 . 3 1 1 A 97 97 PHE N N 310 125.767 120.987 4.780 1 1 973 . 3 1 1 A 98 98 ILE H H 311 7.647 8.240 -0.593 1 1 974 . 3 1 1 A 98 98 ILE HA H 311 4.581 4.818 -0.237 1 1 984 . 3 1 1 A 98 98 ILE C C 311 172.012 174.929 -2.917 1 1 985 . 3 1 1 A 98 98 ILE CA C 311 58.312 59.937 -1.625 1 1 986 . 3 1 1 A 98 98 ILE CB C 311 39.964 42.273 -2.309 1 1 990 . 3 1 1 A 98 98 ILE N N 311 125.102 119.709 5.393 1 1 991 . 3 1 1 A 99 99 CYS H H 312 8.309 8.897 -0.588 1 1 992 . 3 1 1 A 99 99 CYS HA H 312 4.471 4.970 -0.499 1 1 993 . 3 1 1 A 99 99 CYS C C 312 171.965 173.310 -1.345 1 1 994 . 3 1 1 A 99 99 CYS CA C 312 56.347 57.385 -1.038 1 1 995 . 3 1 1 A 99 99 CYS CB C 312 51.093 27.883 23.210 1 1 996 . 3 1 1 A 99 99 CYS N N 312 124.548 125.652 -1.104 1 1 997 . 3 1 1 A 100 100 CYS H H 313 9.116 8.169 0.947 1 1 998 . 3 1 1 A 100 100 CYS HA H 313 5.880 5.030 0.850 1 1 1001 . 3 1 1 A 100 100 CYS C C 313 173.635 174.191 -0.556 1 1 1002 . 3 1 1 A 100 100 CYS CA C 313 55.906 57.244 -1.338 1 1 1003 . 3 1 1 A 100 100 CYS CB C 313 52.685 29.403 23.282 1 1 1004 . 3 1 1 A 100 100 CYS N N 313 127.015 122.846 4.169 1 1 1005 . 3 1 1 A 101 101 ILE H H 314 8.896 8.851 0.045 1 1 1006 . 3 1 1 A 101 101 ILE HA H 314 4.737 4.979 -0.242 1 1 1016 . 3 1 1 A 101 101 ILE C C 314 172.277 175.837 -3.560 1 1 1017 . 3 1 1 A 101 101 ILE CA C 314 60.937 58.592 2.345 1 1 1018 . 3 1 1 A 101 101 ILE CB C 314 40.848 41.666 -0.818 1 1 1022 . 3 1 1 A 101 101 ILE N N 314 121.994 121.282 0.712 1 1 1023 . 3 1 1 A 102 102 LEU H H 315 8.951 8.319 0.632 1 1 1024 . 3 1 1 A 102 102 LEU HA H 315 5.285 4.717 0.568 1 1 1029 . 3 1 1 A 102 102 LEU C C 315 174.789 175.504 -0.715 1 1 1030 . 3 1 1 A 102 102 LEU CA C 315 52.489 54.096 -1.607 1 1 1031 . 3 1 1 A 102 102 LEU CB C 315 40.041 41.776 -1.735 1 1 1034 . 3 1 1 A 102 102 LEU N N 315 127.404 122.409 4.995 1 1 1035 . 3 1 1 A 103 103 SER H H 316 9.096 7.602 1.494 1 1 1036 . 3 1 1 A 103 103 SER HA H 316 4.680 4.840 -0.160 1 1 1039 . 3 1 1 A 103 103 SER C C 316 174.555 173.369 1.186 1 1 1040 . 3 1 1 A 103 103 SER CA C 316 56.403 56.971 -0.568 1 1 1041 . 3 1 1 A 103 103 SER CB C 316 63.224 66.152 -2.928 1 1 1042 . 3 1 1 A 103 103 SER N N 316 113.273 115.591 -2.318 1 1 1043 . 3 1 1 A 104 104 HIS H H 317 7.515 8.217 -0.702 1 1 1044 . 3 1 1 A 104 104 HIS HA H 317 5.214 4.536 0.678 1 1 1048 . 3 1 1 A 104 104 HIS C C 317 175.667 176.326 -0.659 1 1 1049 . 3 1 1 A 104 104 HIS CA C 317 56.371 56.949 -0.578 1 1 1050 . 3 1 1 A 104 104 HIS CB C 317 34.676 27.176 7.500 1 1 1052 . 3 1 1 A 104 104 HIS N N 317 114.740 116.145 -1.405 1 1 1053 . 3 1 1 A 105 105 GLY H H 318 8.368 8.013 0.355 1 1 1054 . 3 1 1 A 105 105 GLY C C 318 169.470 173.979 -4.509 1 1 1055 . 3 1 1 A 105 105 GLY CA C 318 45.558 47.444 -1.886 1 1 1056 . 3 1 1 A 105 105 GLY N N 318 107.330 105.739 1.591 1 1 1057 . 3 1 1 A 106 106 ASP H H 319 7.943 7.916 0.027 1 1 1058 . 3 1 1 A 106 106 ASP HA H 319 4.622 4.921 -0.299 1 1 1061 . 3 1 1 A 106 106 ASP C C 319 175.179 174.608 0.571 1 1 1062 . 3 1 1 A 106 106 ASP CA C 319 53.188 53.379 -0.191 1 1 1063 . 3 1 1 A 106 106 ASP CB C 319 43.555 43.801 -0.246 1 1 1064 . 3 1 1 A 106 106 ASP N N 319 116.893 117.240 -0.347 1 1 1065 . 3 1 1 A 107 107 LYS H H 320 9.376 8.557 0.819 1 1 1066 . 3 1 1 A 107 107 LYS HA H 320 3.956 4.427 -0.471 1 1 1075 . 3 1 1 A 107 107 LYS C C 320 176.864 177.389 -0.525 1 1 1076 . 3 1 1 A 107 107 LYS CA C 320 58.567 57.495 1.072 1 1 1077 . 3 1 1 A 107 107 LYS CB C 320 30.568 32.235 -1.667 1 1 1081 . 3 1 1 A 107 107 LYS N N 320 122.539 121.357 1.182 1 1 1082 . 3 1 1 A 108 108 GLY H H 321 9.025 7.968 1.057 1 1 1083 . 3 1 1 A 108 108 GLY C C 321 173.633 174.111 -0.478 1 1 1084 . 3 1 1 A 108 108 GLY CA C 321 45.491 45.370 0.121 1 1 1085 . 3 1 1 A 108 108 GLY N N 321 111.919 106.954 4.965 1 1 1086 . 3 1 1 A 109 109 ILE H H 322 8.157 7.285 0.872 1 1 1087 . 3 1 1 A 109 109 ILE HA H 322 4.994 4.166 0.828 1 1 1097 . 3 1 1 A 109 109 ILE C C 322 174.524 176.497 -1.973 1 1 1098 . 3 1 1 A 109 109 ILE CA C 322 59.009 61.340 -2.331 1 1 1099 . 3 1 1 A 109 109 ILE CB C 322 43.375 38.282 5.093 1 1 1103 . 3 1 1 A 109 109 ILE N N 322 116.465 120.169 -3.704 1 1 1104 . 3 1 1 A 110 110 ILE H H 323 8.443 8.450 -0.007 1 1 1105 . 3 1 1 A 110 110 ILE HA H 323 4.530 4.092 0.438 1 1 1115 . 3 1 1 A 110 110 ILE C C 323 174.337 177.011 -2.674 1 1 1116 . 3 1 1 A 110 110 ILE CA C 323 58.547 61.497 -2.950 1 1 1117 . 3 1 1 A 110 110 ILE CB C 323 41.604 37.835 3.769 1 1 1121 . 3 1 1 A 110 110 ILE N N 323 116.661 125.469 -8.808 1 1 1122 . 3 1 1 A 111 111 TYR H H 324 8.584 8.580 0.004 1 1 1123 . 3 1 1 A 111 111 TYR HA H 324 5.557 4.551 1.006 1 1 1128 . 3 1 1 A 111 111 TYR C C 324 178.528 176.192 2.336 1 1 1129 . 3 1 1 A 111 111 TYR CA C 324 56.571 57.881 -1.310 1 1 1130 . 3 1 1 A 111 111 TYR CB C 324 39.984 38.354 1.630 1 1 1133 . 3 1 1 A 111 111 TYR N N 324 119.472 124.666 -5.194 1 1 1134 . 3 1 1 A 112 112 GLY H H 325 8.522 8.547 -0.025 1 1 1135 . 3 1 1 A 112 112 GLY C C 325 174.755 175.501 -0.746 1 1 1136 . 3 1 1 A 112 112 GLY CA C 325 43.145 45.504 -2.359 1 1 1137 . 3 1 1 A 112 112 GLY N N 325 107.078 109.025 -1.947 1 1 1138 . 3 1 1 A 113 113 THR H H 326 8.245 8.598 -0.353 1 1 1139 . 3 1 1 A 113 113 THR HA H 326 3.186 4.039 -0.853 1 1 1144 . 3 1 1 A 113 113 THR C C 326 173.264 175.582 -2.318 1 1 1145 . 3 1 1 A 113 113 THR CA C 326 64.857 65.433 -0.576 1 1 1146 . 3 1 1 A 113 113 THR CB C 326 66.749 69.151 -2.402 1 1 1148 . 3 1 1 A 113 113 THR N N 326 113.146 115.287 -2.141 1 1 1149 . 3 1 1 A 114 114 ASP H H 327 8.801 8.110 0.691 1 1 1150 . 3 1 1 A 114 114 ASP HA H 327 4.099 4.894 -0.795 1 1 1153 . 3 1 1 A 114 114 ASP C C 327 176.262 176.706 -0.444 1 1 1154 . 3 1 1 A 114 114 ASP CA C 327 52.768 53.504 -0.736 1 1 1155 . 3 1 1 A 114 114 ASP CB C 327 39.312 41.571 -2.259 1 1 1156 . 3 1 1 A 114 114 ASP N N 327 112.026 119.486 -7.460 1 1 1157 . 3 1 1 A 115 115 GLY H H 328 8.462 7.524 0.938 1 1 1158 . 3 1 1 A 115 115 GLY HA2 H 328 4.010 4.097 -0.087 1 1 1159 . 3 1 1 A 115 115 GLY HA3 H 328 4.010 4.099 -0.089 1 1 1160 . 3 1 1 A 115 115 GLY C C 328 171.918 172.971 -1.053 1 1 1161 . 3 1 1 A 115 115 GLY CA C 328 45.463 45.790 -0.327 1 1 1162 . 3 1 1 A 115 115 GLY N N 328 107.749 106.607 1.142 1 1 1163 . 3 1 1 A 116 116 GLN H H 329 6.657 8.484 -1.827 1 1 1164 . 3 1 1 A 116 116 GLN HA H 329 4.441 4.492 -0.051 1 1 1170 . 3 1 1 A 116 116 GLN C C 329 174.196 175.194 -0.998 1 1 1171 . 3 1 1 A 116 116 GLN CA C 329 55.204 56.064 -0.860 1 1 1172 . 3 1 1 A 116 116 GLN CB C 329 28.541 30.612 -2.071 1 1 1174 . 3 1 1 A 116 116 GLN N N 329 115.146 120.203 -5.057 1 1 1176 . 3 1 1 A 117 117 GLU H H 330 8.624 8.551 0.073 1 1 1177 . 3 1 1 A 117 117 GLU HA H 330 4.733 5.324 -0.591 1 1 1178 . 3 1 1 A 117 117 GLU C C 330 175.357 175.306 0.051 1 1 1179 . 3 1 1 A 117 117 GLU CA C 330 55.191 55.130 0.061 1 1 1180 . 3 1 1 A 117 117 GLU CB C 330 32.586 33.760 -1.174 1 1 1182 . 3 1 1 A 117 117 GLU N N 330 119.031 119.638 -0.607 1 1 1183 . 3 1 1 A 118 118 ALA H H 331 8.995 8.641 0.354 1 1 1184 . 3 1 1 A 118 118 ALA HA H 331 5.165 4.842 0.323 1 1 1188 . 3 1 1 A 118 118 ALA C C 331 173.650 174.148 -0.498 1 1 1189 . 3 1 1 A 118 118 ALA CA C 331 48.343 50.507 -2.164 1 1 1190 . 3 1 1 A 118 118 ALA CB C 331 20.353 22.462 -2.109 1 1 1191 . 3 1 1 A 118 118 ALA N N 331 123.550 121.704 1.846 1 1 1192 . 3 1 1 A 119 119 PRO HA H 332 4.819 4.737 0.082 1 1 1193 . 3 1 1 A 119 119 PRO C C 332 177.819 177.749 0.070 1 1 1194 . 3 1 1 A 119 119 PRO CA C 332 62.007 62.249 -0.242 1 1 1195 . 3 1 1 A 119 119 PRO CB C 332 32.081 30.548 1.533 1 1 1197 . 3 1 1 A 120 120 ILE H H 333 8.574 8.089 0.485 1 1 1198 . 3 1 1 A 120 120 ILE HA H 333 3.278 3.651 -0.373 1 1 1206 . 3 1 1 A 120 120 ILE C C 333 177.316 176.705 0.611 1 1 1207 . 3 1 1 A 120 120 ILE CA C 333 66.025 63.580 2.445 1 1 1208 . 3 1 1 A 120 120 ILE CB C 333 37.991 37.460 0.531 1 1 1212 . 3 1 1 A 120 120 ILE N N 333 126.740 123.205 3.535 1 1 1213 . 3 1 1 A 121 121 TYR H H 334 9.192 7.851 1.341 1 1 1214 . 3 1 1 A 121 121 TYR HA H 334 3.942 4.398 -0.456 1 1 1219 . 3 1 1 A 121 121 TYR C C 334 177.847 176.006 1.841 1 1 1220 . 3 1 1 A 121 121 TYR CA C 334 60.688 57.987 2.701 1 1 1221 . 3 1 1 A 121 121 TYR CB C 334 38.803 38.204 0.599 1 1 1224 . 3 1 1 A 121 121 TYR N N 334 117.479 119.449 -1.970 1 1 1225 . 3 1 1 A 122 122 GLU H H 335 7.178 8.362 -1.184 1 1 1226 . 3 1 1 A 122 122 GLU HA H 335 3.751 4.660 -0.909 1 1 1228 . 3 1 1 A 122 122 GLU C C 335 176.427 178.365 -1.938 1 1 1229 . 3 1 1 A 122 122 GLU CA C 335 58.378 56.966 1.412 1 1 1230 . 3 1 1 A 122 122 GLU CB C 335 29.477 32.586 -3.109 1 1 1232 . 3 1 1 A 122 122 GLU N N 335 115.885 119.460 -3.575 1 1 1233 . 3 1 1 A 123 123 LEU H H 336 7.440 7.892 -0.452 1 1 1234 . 3 1 1 A 123 123 LEU HA H 336 4.123 3.976 0.147 1 1 1244 . 3 1 1 A 123 123 LEU C C 336 177.925 178.882 -0.957 1 1 1245 . 3 1 1 A 123 123 LEU CA C 336 56.646 57.378 -0.732 1 1 1246 . 3 1 1 A 123 123 LEU CB C 336 40.661 41.682 -1.021 1 1 1250 . 3 1 1 A 123 123 LEU N N 336 115.934 119.855 -3.921 1 1 1251 . 3 1 1 A 124 124 THR H H 337 8.009 8.211 -0.202 1 1 1252 . 3 1 1 A 124 124 THR HA H 337 3.597 4.066 -0.469 1 1 1257 . 3 1 1 A 124 124 THR C C 337 177.568 176.634 0.934 1 1 1258 . 3 1 1 A 124 124 THR CA C 337 64.110 64.563 -0.453 1 1 1259 . 3 1 1 A 124 124 THR CB C 337 67.603 68.422 -0.819 1 1 1261 . 3 1 1 A 124 124 THR N N 337 107.827 112.653 -4.826 1 1 1262 . 3 1 1 A 125 125 SER H H 338 7.435 8.432 -0.997 1 1 1263 . 3 1 1 A 125 125 SER HA H 338 3.723 4.255 -0.532 1 1 1266 . 3 1 1 A 125 125 SER C C 338 174.040 176.940 -2.900 1 1 1267 . 3 1 1 A 125 125 SER CA C 338 60.514 61.310 -0.796 1 1 1268 . 3 1 1 A 125 125 SER CB C 338 62.391 62.471 -0.080 1 1 1269 . 3 1 1 A 125 125 SER N N 338 112.670 115.251 -2.581 1 1 1270 . 3 1 1 A 126 126 GLN H H 339 7.071 7.851 -0.780 1 1 1271 . 3 1 1 A 126 126 GLN HA H 339 3.850 4.191 -0.341 1 1 1276 . 3 1 1 A 126 126 GLN C C 339 173.915 177.864 -3.949 1 1 1277 . 3 1 1 A 126 126 GLN CA C 339 56.106 58.143 -2.037 1 1 1278 . 3 1 1 A 126 126 GLN CB C 339 27.028 28.684 -1.656 1 1 1280 . 3 1 1 A 126 126 GLN N N 339 117.347 120.654 -3.307 1 1 1281 . 3 1 1 A 127 127 PHE H H 340 7.355 8.035 -0.680 1 1 1282 . 3 1 1 A 127 127 PHE HA H 340 4.515 4.502 0.013 1 1 1285 . 3 1 1 A 127 127 PHE C C 340 175.241 176.105 -0.864 1 1 1286 . 3 1 1 A 127 127 PHE CA C 340 57.914 60.199 -2.285 1 1 1287 . 3 1 1 A 127 127 PHE CB C 340 38.496 38.303 0.193 1 1 1288 . 3 1 1 A 127 127 PHE N N 340 110.412 116.238 -5.826 1 1 1289 . 3 1 1 A 128 128 THR H H 341 6.785 7.422 -0.637 1 1 1290 . 3 1 1 A 128 128 THR HA H 341 4.294 4.260 0.034 1 1 1295 . 3 1 1 A 128 128 THR C C 341 174.727 176.299 -1.572 1 1 1296 . 3 1 1 A 128 128 THR CA C 341 62.016 63.957 -1.941 1 1 1297 . 3 1 1 A 128 128 THR CB C 341 69.757 69.485 0.272 1 1 1299 . 3 1 1 A 128 128 THR N N 341 107.455 114.464 -7.009 1 1 1300 . 3 1 1 A 129 129 GLY H H 342 10.506 8.971 1.535 1 1 1301 . 3 1 1 A 129 129 GLY HA2 H 342 3.841 3.853 -0.012 1 1 1302 . 3 1 1 A 129 129 GLY HA3 H 342 3.648 3.862 -0.214 1 1 1303 . 3 1 1 A 129 129 GLY C C 342 175.631 174.872 0.759 1 1 1304 . 3 1 1 A 129 129 GLY CA C 342 47.056 46.920 0.136 1 1 1305 . 3 1 1 A 129 129 GLY N N 342 111.023 114.168 -3.145 1 1 1306 . 3 1 1 A 130 130 LEU H H 343 8.003 7.945 0.058 1 1 1307 . 3 1 1 A 130 130 LEU HA H 343 4.135 4.287 -0.152 1 1 1317 . 3 1 1 A 130 130 LEU C C 343 178.627 177.398 1.229 1 1 1318 . 3 1 1 A 130 130 LEU CA C 343 56.606 55.393 1.213 1 1 1319 . 3 1 1 A 130 130 LEU CB C 343 42.399 42.016 0.383 1 1 1323 . 3 1 1 A 130 130 LEU N N 343 116.983 121.042 -4.059 1 1 1324 . 3 1 1 A 131 131 LYS H H 344 6.961 8.051 -1.090 1 1 1325 . 3 1 1 A 131 131 LYS HA H 344 4.001 4.482 -0.481 1 1 1333 . 3 1 1 A 131 131 LYS C C 344 176.224 176.752 -0.528 1 1 1334 . 3 1 1 A 131 131 LYS CA C 344 57.534 56.510 1.024 1 1 1335 . 3 1 1 A 131 131 LYS CB C 344 33.404 35.268 -1.864 1 1 1339 . 3 1 1 A 131 131 LYS N N 344 116.907 116.046 0.861 1 1 1340 . 3 1 1 A 132 132 CYS H H 345 8.564 8.327 0.237 1 1 1341 . 3 1 1 A 132 132 CYS HA H 345 4.930 4.766 0.164 1 1 1344 . 3 1 1 A 132 132 CYS C C 345 172.261 172.350 -0.089 1 1 1345 . 3 1 1 A 132 132 CYS CA C 345 56.566 56.928 -0.362 1 1 1346 . 3 1 1 A 132 132 CYS CB C 345 49.011 27.877 21.134 1 1 1347 . 3 1 1 A 132 132 CYS N N 345 117.718 116.400 1.318 1 1 1348 . 3 1 1 A 133 133 PRO HA H 346 4.719 4.699 0.020 1 1 1354 . 3 1 1 A 133 133 PRO C C 346 179.500 176.367 3.133 1 1 1355 . 3 1 1 A 133 133 PRO CA C 346 62.681 62.287 0.394 1 1 1356 . 3 1 1 A 133 133 PRO CB C 346 34.366 29.298 5.068 1 1 1359 . 3 1 1 A 134 134 SER H H 347 8.896 8.913 -0.017 1 1 1360 . 3 1 1 A 134 134 SER HA H 347 4.415 4.788 -0.373 1 1 1363 . 3 1 1 A 134 134 SER C C 347 174.434 175.287 -0.853 1 1 1364 . 3 1 1 A 134 134 SER CA C 347 60.509 59.128 1.381 1 1 1365 . 3 1 1 A 134 134 SER CB C 347 62.207 66.024 -3.817 1 1 1366 . 3 1 1 A 134 134 SER N N 347 112.882 120.129 -7.247 1 1 1367 . 3 1 1 A 135 135 LEU H H 348 7.549 7.812 -0.263 1 1 1368 . 3 1 1 A 135 135 LEU HA H 348 4.466 4.705 -0.239 1 1 1378 . 3 1 1 A 135 135 LEU C C 348 176.458 177.490 -1.032 1 1 1379 . 3 1 1 A 135 135 LEU CA C 348 53.787 54.646 -0.859 1 1 1380 . 3 1 1 A 135 135 LEU CB C 348 44.189 42.415 1.774 1 1 1384 . 3 1 1 A 135 135 LEU N N 348 118.501 118.418 0.083 1 1 1385 . 3 1 1 A 136 136 ALA H H 349 7.776 8.011 -0.235 1 1 1386 . 3 1 1 A 136 136 ALA HA H 349 4.056 4.396 -0.340 1 1 1390 . 3 1 1 A 136 136 ALA C C 349 178.620 179.204 -0.584 1 1 1391 . 3 1 1 A 136 136 ALA CA C 349 54.406 54.475 -0.069 1 1 1392 . 3 1 1 A 136 136 ALA CB C 349 17.934 18.964 -1.030 1 1 1393 . 3 1 1 A 136 136 ALA N N 349 125.801 122.808 2.993 1 1 1394 . 3 1 1 A 137 137 GLY H H 350 9.371 8.214 1.157 1 1 1395 . 3 1 1 A 137 137 GLY C C 350 173.026 173.726 -0.700 1 1 1396 . 3 1 1 A 137 137 GLY CA C 350 45.132 45.409 -0.277 1 1 1397 . 3 1 1 A 137 137 GLY N N 350 111.181 106.134 5.047 1 1 1398 . 3 1 1 A 138 138 LYS H H 351 8.038 7.811 0.227 1 1 1399 . 3 1 1 A 138 138 LYS HA H 351 4.660 4.891 -0.231 1 1 1400 . 3 1 1 A 138 138 LYS C C 351 172.078 175.028 -2.950 1 1 1401 . 3 1 1 A 138 138 LYS CA C 351 52.728 53.361 -0.633 1 1 1402 . 3 1 1 A 138 138 LYS CB C 351 32.069 35.229 -3.160 1 1 1404 . 3 1 1 A 138 138 LYS N N 351 119.821 117.236 2.585 1 1 1405 . 3 1 1 A 139 139 PRO HA H 352 4.300 4.329 -0.029 1 1 1412 . 3 1 1 A 139 139 PRO C C 352 173.954 175.855 -1.901 1 1 1413 . 3 1 1 A 139 139 PRO CA C 352 62.595 62.182 0.413 1 1 1414 . 3 1 1 A 139 139 PRO CB C 352 31.399 33.134 -1.735 1 1 1417 . 3 1 1 A 140 140 LYS H H 353 8.188 8.894 -0.706 1 1 1418 . 3 1 1 A 140 140 LYS HA H 353 4.610 5.244 -0.634 1 1 1419 . 3 1 1 A 140 140 LYS C C 353 173.494 174.416 -0.922 1 1 1420 . 3 1 1 A 140 140 LYS CA C 353 55.344 55.712 -0.368 1 1 1421 . 3 1 1 A 140 140 LYS CB C 353 32.527 36.625 -4.098 1 1 1423 . 3 1 1 A 140 140 LYS N N 353 123.304 120.891 2.413 1 1 1424 . 3 1 1 A 141 141 VAL H H 354 8.344 8.653 -0.309 1 1 1425 . 3 1 1 A 141 141 VAL HA H 354 4.533 5.115 -0.582 1 1 1433 . 3 1 1 A 141 141 VAL C C 354 172.277 174.559 -2.282 1 1 1434 . 3 1 1 A 141 141 VAL CA C 354 60.596 60.887 -0.291 1 1 1435 . 3 1 1 A 141 141 VAL CB C 354 33.580 35.047 -1.467 1 1 1438 . 3 1 1 A 141 141 VAL N N 354 122.550 125.050 -2.500 1 1 1439 . 3 1 1 A 142 142 PHE H H 355 8.985 8.720 0.265 1 1 1440 . 3 1 1 A 142 142 PHE HA H 355 5.436 5.032 0.404 1 1 1441 . 3 1 1 A 142 142 PHE C C 355 173.666 173.204 0.462 1 1 1442 . 3 1 1 A 142 142 PHE CA C 355 54.968 56.796 -1.828 1 1 1443 . 3 1 1 A 142 142 PHE CB C 355 42.877 42.583 0.294 1 1 1444 . 3 1 1 A 142 142 PHE N N 355 123.850 127.289 -3.439 1 1 1445 . 3 1 1 A 143 143 PHE H H 356 8.584 8.606 -0.022 1 1 1446 . 3 1 1 A 143 143 PHE HA H 356 5.934 5.114 0.820 1 1 1449 . 3 1 1 A 143 143 PHE C C 356 174.526 175.033 -0.507 1 1 1450 . 3 1 1 A 143 143 PHE CA C 356 55.909 56.022 -0.113 1 1 1451 . 3 1 1 A 143 143 PHE CB C 356 39.923 41.920 -1.997 1 1 1454 . 3 1 1 A 143 143 PHE N N 356 119.801 125.547 -5.746 1 1 1455 . 3 1 1 A 144 144 ILE H H 357 9.020 9.172 -0.152 1 1 1456 . 3 1 1 A 144 144 ILE HA H 357 5.040 4.836 0.204 1 1 1466 . 3 1 1 A 144 144 ILE C C 357 173.323 174.790 -1.467 1 1 1467 . 3 1 1 A 144 144 ILE CA C 357 59.479 60.196 -0.717 1 1 1468 . 3 1 1 A 144 144 ILE CB C 357 40.898 42.524 -1.626 1 1 1472 . 3 1 1 A 144 144 ILE N N 357 121.194 123.457 -2.263 1 1 1473 . 3 1 1 A 145 145 GLN H H 358 8.856 8.652 0.204 1 1 1474 . 3 1 1 A 145 145 GLN HA H 358 4.670 4.983 -0.313 1 1 1475 . 3 1 1 A 145 145 GLN C C 358 171.591 175.329 -3.738 1 1 1476 . 3 1 1 A 145 145 GLN CA C 358 53.648 55.221 -1.573 1 1 1477 . 3 1 1 A 145 145 GLN CB C 358 30.373 29.845 0.528 1 1 1479 . 3 1 1 A 145 145 GLN N N 358 128.880 126.262 2.618 1 1 1480 . 3 1 1 A 146 146 ALA H H 359 8.418 8.930 -0.512 1 1 1481 . 3 1 1 A 146 146 ALA HA H 359 5.247 5.235 0.012 1 1 1485 . 3 1 1 A 146 146 ALA C C 359 175.319 175.596 -0.277 1 1 1486 . 3 1 1 A 146 146 ALA CA C 359 50.243 51.035 -0.792 1 1 1487 . 3 1 1 A 146 146 ALA CB C 359 18.786 23.119 -4.333 1 1 1488 . 3 1 1 A 146 146 ALA N N 359 128.349 126.276 2.073 1 1 1489 . 3 1 1 A 147 147 ALA H H 360 8.161 8.820 -0.659 1 1 1490 . 3 1 1 A 147 147 ALA HA H 360 4.343 5.075 -0.732 1 1 1494 . 3 1 1 A 147 147 ALA C C 360 177.238 175.719 1.519 1 1 1495 . 3 1 1 A 147 147 ALA CA C 360 52.078 51.066 1.012 1 1 1496 . 3 1 1 A 147 147 ALA CB C 360 20.003 24.035 -4.032 1 1 1497 . 3 1 1 A 147 147 ALA N N 360 123.005 121.515 1.490 1 1 1498 . 3 1 1 A 148 148 GLN H H 361 8.461 8.817 -0.356 1 1 1499 . 3 1 1 A 148 148 GLN HA H 361 4.663 5.298 -0.635 1 1 1504 . 3 1 1 A 148 148 GLN C C 361 176.333 173.998 2.335 1 1 1505 . 3 1 1 A 148 148 GLN CA C 361 55.760 53.767 1.993 1 1 1506 . 3 1 1 A 148 148 GLN CB C 361 29.937 33.114 -3.177 1 1 1508 . 3 1 1 A 148 148 GLN N N 361 120.296 115.661 4.635 1 1 1509 . 3 1 1 A 149 149 GLY H H 362 8.631 8.528 0.103 1 1 1510 . 3 1 1 A 149 149 GLY HA2 H 362 3.858 4.429 -0.571 1 1 1511 . 3 1 1 A 149 149 GLY HA3 H 362 3.858 4.436 -0.578 1 1 1512 . 3 1 1 A 149 149 GLY C C 362 172.022 172.086 -0.064 1 1 1513 . 3 1 1 A 149 149 GLY CA C 362 44.969 44.205 0.764 1 1 1514 . 3 1 1 A 149 149 GLY N N 362 109.782 106.620 3.162 1 1 1515 . 3 1 1 A 150 150 ASP H H 363 7.566 8.605 -1.039 1 1 1516 . 3 1 1 A 150 150 ASP HA H 363 4.661 4.591 0.070 1 1 1519 . 3 1 1 A 150 150 ASP C C 363 174.446 175.979 -1.533 1 1 1520 . 3 1 1 A 150 150 ASP CA C 363 57.776 54.116 3.660 1 1 1521 . 3 1 1 A 150 150 ASP CB C 363 39.423 41.996 -2.573 1 1 1522 . 3 1 1 A 150 150 ASP N N 363 118.182 119.732 -1.550 1 1 1523 . 3 1 1 A 153 153 GLN HA H 366 4.665 4.359 0.306 1 1 1530 . 3 1 1 A 153 153 GLN CA C 366 53.779 58.075 -4.296 1 1 1531 . 3 1 1 A 153 153 GLN CB C 366 28.988 30.069 -1.081 1 1 1534 . 3 1 1 A 155 155 GLY HA2 H 368 3.899 3.922 -0.023 1 1 1535 . 3 1 1 A 155 155 GLY HA3 H 368 3.899 4.076 -0.177 1 1 1536 . 3 1 1 A 155 155 GLY CA C 368 45.013 44.496 0.517 1 1 1537 . 3 1 1 A 156 156 ILE H H 369 7.871 8.414 -0.543 1 1 1538 . 3 1 1 A 156 156 ILE HA H 369 4.428 4.754 -0.326 1 1 1548 . 3 1 1 A 156 156 ILE C C 369 174.196 175.351 -1.155 1 1 1549 . 3 1 1 A 156 156 ILE CA C 369 58.676 57.158 1.518 1 1 1550 . 3 1 1 A 156 156 ILE CB C 369 38.516 39.797 -1.281 1 1 1554 . 3 1 1 A 156 156 ILE N N 369 120.958 117.669 3.289 1 1 1555 . 3 1 1 A 157 157 PRO HA H 370 4.386 4.556 -0.170 1 1 1562 . 3 1 1 A 157 157 PRO C C 370 176.218 176.638 -0.420 1 1 1563 . 3 1 1 A 157 157 PRO CA C 370 63.431 64.051 -0.620 1 1 1564 . 3 1 1 A 157 157 PRO CB C 370 31.913 31.859 0.054 1 1 1567 . 3 1 1 A 158 158 VAL H H 371 8.137 7.553 0.584 1 1 1568 . 3 1 1 A 158 158 VAL HA H 371 4.089 4.128 -0.039 1 1 1576 . 3 1 1 A 158 158 VAL C C 371 175.904 175.683 0.221 1 1 1577 . 3 1 1 A 158 158 VAL CA C 371 62.121 61.074 1.047 1 1 1578 . 3 1 1 A 158 158 VAL CB C 371 32.958 33.044 -0.086 1 1 1581 . 3 1 1 A 158 158 VAL N N 371 119.640 116.006 3.634 1 1 1582 . 3 1 1 A 159 159 GLU H H 372 8.523 8.484 0.039 1 1 1583 . 3 1 1 A 159 159 GLU HA H 372 4.345 4.343 0.002 1 1 1588 . 3 1 1 A 159 159 GLU C C 372 176.068 176.117 -0.049 1 1 1589 . 3 1 1 A 159 159 GLU CA C 372 56.474 55.621 0.853 1 1 1590 . 3 1 1 A 159 159 GLU CB C 372 30.078 30.115 -0.037 1 1 1592 . 3 1 1 A 159 159 GLU N N 372 123.765 120.920 2.845 1 1 1593 . 3 1 1 A 160 160 THR H H 373 8.096 8.512 -0.416 1 1 1594 . 3 1 1 A 160 160 THR HA H 373 4.311 4.380 -0.069 1 1 1599 . 3 1 1 A 160 160 THR C C 373 173.701 174.063 -0.362 1 1 1600 . 3 1 1 A 160 160 THR CA C 373 61.845 62.072 -0.227 1 1 1601 . 3 1 1 A 160 160 THR CB C 373 69.760 69.148 0.612 1 1 1603 . 3 1 1 A 160 160 THR N N 373 114.143 112.062 2.081 1 1 1604 . 3 1 1 A 161 161 ASP H H 374 8.387 8.920 -0.533 1 1 1605 . 3 1 1 A 161 161 ASP HA H 374 4.625 4.789 -0.164 1 1 1608 . 3 1 1 A 161 161 ASP C C 374 175.806 175.155 0.651 1 1 1609 . 3 1 1 A 161 161 ASP CA C 374 54.478 55.565 -1.087 1 1 1610 . 3 1 1 A 161 161 ASP CB C 374 41.096 42.043 -0.947 1 1 1611 . 3 1 1 A 161 161 ASP N N 374 122.070 125.353 -3.283 1 1 1612 . 3 1 1 A 162 162 SER H H 375 8.175 8.077 0.098 1 1 1613 . 3 1 1 A 162 162 SER HA H 375 4.385 4.559 -0.174 1 1 1616 . 3 1 1 A 162 162 SER C C 375 174.169 174.768 -0.599 1 1 1617 . 3 1 1 A 162 162 SER CA C 375 58.631 57.788 0.843 1 1 1618 . 3 1 1 A 162 162 SER CB C 375 63.814 62.392 1.422 1 1 1619 . 3 1 1 A 162 162 SER N N 375 115.346 112.731 2.615 1 1 1620 . 3 1 1 A 163 163 GLU H H 376 8.424 8.231 0.193 1 1 1621 . 3 1 1 A 163 163 GLU HA H 376 4.263 4.738 -0.475 1 1 1626 . 3 1 1 A 163 163 GLU C C 376 175.959 177.758 -1.799 1 1 1627 . 3 1 1 A 163 163 GLU CA C 376 56.567 55.105 1.462 1 1 1628 . 3 1 1 A 163 163 GLU CB C 376 30.044 29.299 0.745 1 1 1630 . 3 1 1 A 163 163 GLU N N 376 122.034 121.204 0.830 1 1 1631 . 3 1 1 A 164 164 GLU H H 377 8.298 8.252 0.046 1 1 1632 . 3 1 1 A 164 164 GLU HA H 377 4.224 4.012 0.212 1 1 1637 . 3 1 1 A 164 164 GLU C C 377 175.816 178.076 -2.260 1 1 1638 . 3 1 1 A 164 164 GLU CA C 377 56.489 59.492 -3.003 1 1 1639 . 3 1 1 A 164 164 GLU CB C 377 30.220 29.477 0.743 1 1 1641 . 3 1 1 A 164 164 GLU N N 377 120.980 121.710 -0.730 1 1 1642 . 3 1 1 A 165 165 GLN H H 378 8.340 7.954 0.386 1 1 1643 . 3 1 1 A 165 165 GLN HA H 378 4.563 4.432 0.131 1 1 1645 . 3 1 1 A 165 165 GLN C C 378 173.510 176.241 -2.731 1 1 1646 . 3 1 1 A 165 165 GLN CA C 378 53.530 57.854 -4.324 1 1 1647 . 3 1 1 A 165 165 GLN CB C 378 28.816 30.488 -1.672 1 1 1649 . 3 1 1 A 165 165 GLN N N 378 121.693 115.551 6.142 1 1 1650 . 3 1 1 A 166 166 PRO HA H 379 4.381 4.763 -0.382 1 1 1657 . 3 1 1 A 166 166 PRO C C 379 176.081 176.010 0.071 1 1 1658 . 3 1 1 A 166 166 PRO CA C 379 63.260 62.420 0.840 1 1 1659 . 3 1 1 A 166 166 PRO CB C 379 32.010 29.051 2.959 1 1 1662 . 3 1 1 A 167 167 TYR H H 380 8.116 8.693 -0.577 1 1 1663 . 3 1 1 A 167 167 TYR HA H 380 4.513 4.615 -0.102 1 1 1668 . 3 1 1 A 167 167 TYR C C 380 174.992 175.115 -0.123 1 1 1669 . 3 1 1 A 167 167 TYR CA C 380 57.699 57.544 0.155 1 1 1670 . 3 1 1 A 167 167 TYR CB C 380 38.344 39.816 -1.472 1 1 1673 . 3 1 1 A 167 167 TYR N N 380 119.531 119.743 -0.212 1 1 1674 . 3 1 1 A 168 168 LEU H H 381 7.953 8.438 -0.485 1 1 1675 . 3 1 1 A 168 168 LEU HA H 381 4.267 4.631 -0.364 1 1 1685 . 3 1 1 A 168 168 LEU C C 381 176.162 176.051 0.111 1 1 1686 . 3 1 1 A 168 168 LEU CA C 381 54.808 53.631 1.177 1 1 1687 . 3 1 1 A 168 168 LEU CB C 381 42.735 43.415 -0.680 1 1 1691 . 3 1 1 A 168 168 LEU N N 381 124.133 120.513 3.620 1 1 1692 . 3 1 1 A 169 169 GLU H H 382 8.190 8.680 -0.490 1 1 1693 . 3 1 1 A 169 169 GLU HA H 382 4.167 4.483 -0.316 1 1 1698 . 3 1 1 A 169 169 GLU C C 382 175.881 176.350 -0.469 1 1 1699 . 3 1 1 A 169 169 GLU CA C 382 56.655 55.495 1.160 1 1 1700 . 3 1 1 A 169 169 GLU CB C 382 30.058 29.412 0.646 1 1 1702 . 3 1 1 A 169 169 GLU N N 382 121.131 119.476 1.655 1 1 1703 . 3 1 1 A 170 170 MET H H 383 8.214 7.709 0.505 1 1 1704 . 3 1 1 A 170 170 MET HA H 383 4.377 4.924 -0.547 1 1 1709 . 3 1 1 A 170 170 MET C C 383 175.132 175.440 -0.308 1 1 1710 . 3 1 1 A 170 170 MET CA C 383 55.606 53.872 1.734 1 1 1711 . 3 1 1 A 170 170 MET CB C 383 33.091 36.015 -2.924 1 1 1713 . 3 1 1 A 170 170 MET N N 383 120.601 119.341 1.260 1 1 1714 . 3 1 1 A 171 171 ASP H H 384 8.358 8.555 -0.197 1 1 1715 . 3 1 1 A 171 171 ASP HA H 384 4.575 4.662 -0.087 1 1 1718 . 3 1 1 A 171 171 ASP C C 384 175.966 175.602 0.364 1 1 1719 . 3 1 1 A 171 171 ASP CA C 384 53.741 54.412 -0.671 1 1 1720 . 3 1 1 A 171 171 ASP CB C 384 40.571 42.025 -1.454 1 1 1721 . 3 1 1 A 171 171 ASP N N 384 121.104 121.339 -0.235 1 1 1722 . 3 1 1 A 172 172 LEU H H 385 8.285 8.463 -0.178 1 1 1723 . 3 1 1 A 172 172 LEU HA H 385 4.305 4.817 -0.512 1 1 1733 . 3 1 1 A 172 172 LEU C C 385 177.140 175.927 1.213 1 1 1734 . 3 1 1 A 172 172 LEU CA C 385 55.122 53.556 1.566 1 1 1735 . 3 1 1 A 172 172 LEU CB C 385 41.851 45.028 -3.177 1 1 1739 . 3 1 1 A 172 172 LEU N N 385 123.115 119.216 3.899 1 1 1740 . 3 1 1 A 173 173 SER H H 386 8.290 9.303 -1.013 1 1 1741 . 3 1 1 A 173 173 SER N N 386 115.101 115.748 -0.647 1 1 1742 . 3 1 1 A 176 176 GLN HA H 389 4.383 4.406 -0.023 1 1 1749 . 3 1 1 A 176 176 GLN CA C 389 55.991 55.769 0.222 1 1 1750 . 3 1 1 A 176 176 GLN CB C 389 29.280 29.409 -0.129 1 1 1753 . 3 1 1 A 177 177 THR H H 390 6.958 8.622 -1.664 1 1 1754 . 3 1 1 A 177 177 THR HA H 390 3.970 4.584 -0.614 1 1 1759 . 3 1 1 A 177 177 THR C C 390 172.764 173.213 -0.449 1 1 1760 . 3 1 1 A 177 177 THR CA C 390 62.221 61.024 1.197 1 1 1761 . 3 1 1 A 177 177 THR CB C 390 69.382 70.395 -1.013 1 1 1763 . 3 1 1 A 177 177 THR N N 390 115.463 120.836 -5.373 1 1 1764 . 3 1 1 A 178 178 ARG H H 391 7.873 8.627 -0.754 1 1 1765 . 3 1 1 A 178 178 ARG C C 391 174.982 174.939 0.043 1 1 1766 . 3 1 1 A 178 178 ARG CA C 391 55.266 54.071 1.195 1 1 1767 . 3 1 1 A 178 178 ARG CB C 391 31.052 33.982 -2.930 1 1 1769 . 3 1 1 A 178 178 ARG N N 391 122.116 125.362 -3.246 1 1 1770 . 3 1 1 A 179 179 TYR H H 392 8.812 8.678 0.134 1 1 1771 . 3 1 1 A 179 179 TYR HA H 392 4.621 5.865 -1.244 1 1 1776 . 3 1 1 A 179 179 TYR C C 392 174.337 173.301 1.036 1 1 1777 . 3 1 1 A 179 179 TYR CA C 392 57.444 55.265 2.179 1 1 1778 . 3 1 1 A 179 179 TYR CB C 392 40.623 42.141 -1.518 1 1 1781 . 3 1 1 A 179 179 TYR N N 392 118.296 119.146 -0.850 1 1 1782 . 3 1 1 A 180 180 ILE H H 393 7.254 8.912 -1.658 1 1 1783 . 3 1 1 A 180 180 ILE HA H 393 4.610 4.602 0.008 1 1 1793 . 3 1 1 A 180 180 ILE C C 393 171.654 173.197 -1.543 1 1 1794 . 3 1 1 A 180 180 ILE CA C 393 56.916 57.187 -0.271 1 1 1795 . 3 1 1 A 180 180 ILE CB C 393 39.736 40.902 -1.166 1 1 1799 . 3 1 1 A 180 180 ILE N N 393 108.609 116.486 -7.877 1 1 1800 . 3 1 1 A 181 181 PRO HA H 394 4.709 4.744 -0.035 1 1 1807 . 3 1 1 A 181 181 PRO C C 394 173.910 176.921 -3.011 1 1 1808 . 3 1 1 A 181 181 PRO CA C 394 62.144 62.671 -0.527 1 1 1809 . 3 1 1 A 181 181 PRO CB C 394 32.527 32.116 0.411 1 1 1812 . 3 1 1 A 182 182 ASP H H 395 8.296 9.001 -0.705 1 1 1813 . 3 1 1 A 182 182 ASP HA H 395 4.665 4.688 -0.023 1 1 1816 . 3 1 1 A 182 182 ASP C C 395 175.120 176.112 -0.992 1 1 1817 . 3 1 1 A 182 182 ASP CA C 395 52.455 54.408 -1.953 1 1 1818 . 3 1 1 A 182 182 ASP CB C 395 38.742 41.168 -2.426 1 1 1819 . 3 1 1 A 182 182 ASP N N 395 120.042 120.449 -0.407 1 1 1820 . 3 1 1 A 183 183 GLU H H 396 7.651 7.585 0.066 1 1 1821 . 3 1 1 A 183 183 GLU HA H 396 4.492 4.567 -0.075 1 1 1826 . 3 1 1 A 183 183 GLU C C 396 173.702 175.258 -1.556 1 1 1827 . 3 1 1 A 183 183 GLU CA C 396 54.897 54.753 0.144 1 1 1828 . 3 1 1 A 183 183 GLU CB C 396 32.509 30.726 1.783 1 1 1830 . 3 1 1 A 183 183 GLU N N 396 117.840 117.997 -0.157 1 1 1831 . 3 1 1 A 184 184 ALA H H 397 8.365 8.670 -0.305 1 1 1832 . 3 1 1 A 184 184 ALA HA H 397 4.394 4.944 -0.550 1 1 1836 . 3 1 1 A 184 184 ALA C C 397 175.829 176.356 -0.527 1 1 1837 . 3 1 1 A 184 184 ALA CA C 397 52.770 50.577 2.193 1 1 1838 . 3 1 1 A 184 184 ALA CB C 397 20.682 22.839 -2.157 1 1 1839 . 3 1 1 A 184 184 ALA N N 397 121.613 121.235 0.378 1 1 1840 . 3 1 1 A 185 185 ASP H H 398 7.245 9.062 -1.817 1 1 1841 . 3 1 1 A 185 185 ASP HA H 398 4.092 4.138 -0.046 1 1 1844 . 3 1 1 A 185 185 ASP C C 398 172.730 174.425 -1.695 1 1 1845 . 3 1 1 A 185 185 ASP CA C 398 56.144 55.298 0.846 1 1 1846 . 3 1 1 A 185 185 ASP CB C 398 39.841 39.953 -0.112 1 1 1847 . 3 1 1 A 185 185 ASP N N 398 105.829 117.655 -11.826 1 1 1848 . 3 1 1 A 186 186 PHE H H 399 8.467 7.511 0.956 1 1 1849 . 3 1 1 A 186 186 PHE HA H 399 5.486 5.262 0.224 1 1 1852 . 3 1 1 A 186 186 PHE C C 399 176.218 174.243 1.975 1 1 1853 . 3 1 1 A 186 186 PHE CA C 399 57.959 56.402 1.557 1 1 1854 . 3 1 1 A 186 186 PHE CB C 399 44.529 43.408 1.121 1 1 1855 . 3 1 1 A 186 186 PHE N N 399 116.177 118.505 -2.328 1 1 1856 . 3 1 1 A 187 187 LEU H H 400 8.964 9.137 -0.173 1 1 1857 . 3 1 1 A 187 187 LEU HA H 400 4.963 5.199 -0.236 1 1 1867 . 3 1 1 A 187 187 LEU C C 400 171.747 174.804 -3.057 1 1 1868 . 3 1 1 A 187 187 LEU CA C 400 55.422 53.978 1.444 1 1 1869 . 3 1 1 A 187 187 LEU CB C 400 45.641 44.653 0.988 1 1 1873 . 3 1 1 A 187 187 LEU N N 400 121.383 124.104 -2.721 1 1 1874 . 3 1 1 A 188 188 LEU H H 401 9.312 9.035 0.277 1 1 1875 . 3 1 1 A 188 188 LEU HA H 401 5.580 5.099 0.481 1 1 1885 . 3 1 1 A 188 188 LEU C C 401 173.853 176.959 -3.106 1 1 1886 . 3 1 1 A 188 188 LEU CA C 401 53.421 53.918 -0.497 1 1 1887 . 3 1 1 A 188 188 LEU CB C 401 45.403 45.228 0.175 1 1 1891 . 3 1 1 A 188 188 LEU N N 401 128.151 127.991 0.160 1 1 1892 . 3 1 1 A 189 189 GLY H H 402 9.415 9.224 0.191 1 1 1893 . 3 1 1 A 189 189 GLY HA2 H 402 4.670 4.159 0.511 1 1 1894 . 3 1 1 A 189 189 GLY HA3 H 402 3.663 4.307 -0.644 1 1 1895 . 3 1 1 A 189 189 GLY C C 402 171.014 175.119 -4.105 1 1 1896 . 3 1 1 A 189 189 GLY CA C 402 44.967 45.528 -0.561 1 1 1897 . 3 1 1 A 189 189 GLY N N 402 115.881 115.124 0.757 1 1 1898 . 3 1 1 A 190 190 MET H H 403 8.118 7.870 0.248 1 1 1899 . 3 1 1 A 190 190 MET HA H 403 5.314 4.321 0.993 1 1 1907 . 3 1 1 A 190 190 MET C C 403 173.744 178.349 -4.605 1 1 1908 . 3 1 1 A 190 190 MET CA C 403 53.284 57.864 -4.580 1 1 1909 . 3 1 1 A 190 190 MET CB C 403 36.614 32.512 4.102 1 1 1912 . 3 1 1 A 190 190 MET N N 403 122.165 119.717 2.448 1 1 1934 . 3 1 1 A 203 203 ALA H H 416 8.076 8.296 -0.220 1 1 1935 . 3 1 1 A 203 203 ALA HA H 416 4.228 4.522 -0.294 1 1 1939 . 3 1 1 A 203 203 ALA C C 416 176.895 178.956 -2.061 1 1 1940 . 3 1 1 A 203 203 ALA CA C 416 52.743 51.801 0.942 1 1 1941 . 3 1 1 A 203 203 ALA CB C 416 18.723 19.804 -1.081 1 1 1942 . 3 1 1 A 203 203 ALA N N 416 119.053 124.625 -5.572 1 1 1943 . 3 1 1 A 204 204 GLU H H 417 7.784 8.559 -0.775 1 1 1944 . 3 1 1 A 204 204 GLU HA H 417 4.350 4.099 0.251 1 1 1949 . 3 1 1 A 204 204 GLU C C 417 175.678 176.602 -0.924 1 1 1950 . 3 1 1 A 204 204 GLU CA C 417 55.650 56.553 -0.903 1 1 1951 . 3 1 1 A 204 204 GLU CB C 417 30.312 30.074 0.238 1 1 1953 . 3 1 1 A 204 204 GLU N N 417 116.458 119.132 -2.674 1 1 1954 . 3 1 1 A 205 205 GLY H H 418 7.910 7.848 0.062 1 1 1955 . 3 1 1 A 205 205 GLY CA C 418 43.804 45.003 -1.199 1 1 1956 . 3 1 1 A 205 205 GLY N N 418 108.024 108.586 -0.562 1 1 1957 . 3 1 1 A 206 206 THR H H 419 8.364 8.378 -0.014 1 1 1958 . 3 1 1 A 206 206 THR HA H 419 4.316 5.015 -0.699 1 1 1963 . 3 1 1 A 206 206 THR CA C 419 64.682 60.664 4.018 1 1 1964 . 3 1 1 A 206 206 THR CB C 419 69.304 70.918 -1.614 1 1 1966 . 3 1 1 A 206 206 THR N N 419 115.417 109.637 5.780 1 1 1967 . 3 1 1 A 207 207 TRP HA H 420 4.116 5.384 -1.268 1 1 1976 . 3 1 1 A 207 207 TRP CA C 420 61.178 55.126 6.052 1 1 1977 . 3 1 1 A 207 207 TRP CB C 420 28.670 32.842 -4.172 1 1 1984 . 3 1 1 A 209 209 ILE H H 422 6.744 8.932 -2.188 1 1 1985 . 3 1 1 A 209 209 ILE HA H 422 3.349 4.213 -0.864 1 1 1993 . 3 1 1 A 209 209 ILE C C 422 178.143 177.302 0.841 1 1 1994 . 3 1 1 A 209 209 ILE CA C 422 60.865 62.279 -1.414 1 1 1995 . 3 1 1 A 209 209 ILE CB C 422 34.371 38.171 -3.800 1 1 1999 . 3 1 1 A 209 209 ILE N N 422 113.211 124.537 -11.326 1 1 2000 . 3 1 1 A 210 210 GLN H H 423 8.252 8.242 0.010 1 1 2001 . 3 1 1 A 210 210 GLN HA H 423 3.548 4.097 -0.549 1 1 2006 . 3 1 1 A 210 210 GLN C C 423 179.079 177.572 1.507 1 1 2007 . 3 1 1 A 210 210 GLN CA C 423 58.795 58.716 0.079 1 1 2008 . 3 1 1 A 210 210 GLN CB C 423 26.704 28.221 -1.517 1 1 2010 . 3 1 1 A 210 210 GLN N N 423 116.455 122.701 -6.246 1 1 2011 . 3 1 1 A 211 211 SER H H 424 8.162 8.076 0.086 1 1 2012 . 3 1 1 A 211 211 SER HA H 424 3.961 4.679 -0.718 1 1 2015 . 3 1 1 A 211 211 SER C C 424 179.150 175.355 3.795 1 1 2016 . 3 1 1 A 211 211 SER CA C 424 61.850 58.623 3.227 1 1 2017 . 3 1 1 A 211 211 SER CB C 424 62.214 63.684 -1.470 1 1 2018 . 3 1 1 A 211 211 SER N N 424 115.041 115.179 -0.138 1 1 2019 . 3 1 1 A 212 212 LEU H H 425 8.061 8.178 -0.117 1 1 2020 . 3 1 1 A 212 212 LEU HA H 425 3.540 4.240 -0.700 1 1 2030 . 3 1 1 A 212 212 LEU C C 425 177.566 178.113 -0.547 1 1 2031 . 3 1 1 A 212 212 LEU CA C 425 58.548 57.274 1.274 1 1 2032 . 3 1 1 A 212 212 LEU CB C 425 41.665 42.378 -0.713 1 1 2036 . 3 1 1 A 212 212 LEU N N 425 124.082 122.412 1.670 1 1 2037 . 3 1 1 A 213 213 CYS H H 426 7.940 7.753 0.187 1 1 2038 . 3 1 1 A 213 213 CYS HA H 426 3.628 4.109 -0.481 1 1 2041 . 3 1 1 A 213 213 CYS C C 426 175.741 176.743 -1.002 1 1 2042 . 3 1 1 A 213 213 CYS CA C 426 65.159 62.553 2.606 1 1 2043 . 3 1 1 A 213 213 CYS CB C 426 49.251 27.137 22.114 1 1 2044 . 3 1 1 A 213 213 CYS N N 426 114.351 118.375 -4.024 1 1 2045 . 3 1 1 A 214 214 GLN H H 427 7.510 8.272 -0.762 1 1 2046 . 3 1 1 A 214 214 GLN HA H 427 3.772 4.158 -0.386 1 1 2051 . 3 1 1 A 214 214 GLN C C 427 177.769 178.006 -0.237 1 1 2052 . 3 1 1 A 214 214 GLN CA C 427 59.019 57.741 1.278 1 1 2053 . 3 1 1 A 214 214 GLN CB C 427 27.718 27.510 0.208 1 1 2055 . 3 1 1 A 214 214 GLN N N 427 117.399 118.628 -1.229 1 1 2056 . 3 1 1 A 215 215 SER H H 428 7.906 8.011 -0.105 1 1 2057 . 3 1 1 A 215 215 SER HA H 428 4.173 4.217 -0.044 1 1 2060 . 3 1 1 A 215 215 SER CA C 428 62.653 62.412 0.241 1 1 2061 . 3 1 1 A 215 215 SER CB C 428 62.889 63.496 -0.607 1 1 2062 . 3 1 1 A 215 215 SER N N 428 113.799 117.995 -4.196 1 1 2063 . 3 1 1 A 216 216 LEU H H 429 8.505 8.260 0.245 1 1 2064 . 3 1 1 A 216 216 LEU HA H 429 4.156 3.925 0.231 1 1 2071 . 3 1 1 A 216 216 LEU C C 429 178.848 178.253 0.595 1 1 2072 . 3 1 1 A 216 216 LEU CA C 429 58.053 58.016 0.037 1 1 2073 . 3 1 1 A 216 216 LEU CB C 429 41.222 41.529 -0.307 1 1 2076 . 3 1 1 A 216 216 LEU N N 429 121.357 119.740 1.617 1 1 2077 . 3 1 1 A 217 217 ARG H H 430 7.972 8.483 -0.511 1 1 2078 . 3 1 1 A 217 217 ARG HA H 430 3.850 3.683 0.167 1 1 2085 . 3 1 1 A 217 217 ARG C C 430 178.237 177.684 0.553 1 1 2086 . 3 1 1 A 217 217 ARG CA C 430 59.472 58.829 0.643 1 1 2087 . 3 1 1 A 217 217 ARG CB C 430 30.256 29.618 0.638 1 1 2090 . 3 1 1 A 217 217 ARG N N 430 116.018 121.214 -5.196 1 1 2091 . 3 1 1 A 218 218 GLU H H 431 7.583 8.180 -0.597 1 1 2092 . 3 1 1 A 218 218 GLU HA H 431 4.119 4.089 0.030 1 1 2096 . 3 1 1 A 218 218 GLU C C 431 178.377 177.347 1.030 1 1 2097 . 3 1 1 A 218 218 GLU CA C 431 58.207 57.640 0.567 1 1 2098 . 3 1 1 A 218 218 GLU CB C 431 30.548 29.269 1.279 1 1 2100 . 3 1 1 A 218 218 GLU N N 431 113.645 117.946 -4.301 1 1 2101 . 3 1 1 A 219 219 ARG H H 432 8.621 7.953 0.668 1 1 2102 . 3 1 1 A 219 219 ARG HA H 432 4.180 4.426 -0.246 1 1 2103 . 3 1 1 A 219 219 ARG C C 432 178.455 177.947 0.508 1 1 2104 . 3 1 1 A 219 219 ARG CA C 432 58.428 57.489 0.939 1 1 2105 . 3 1 1 A 219 219 ARG CB C 432 30.936 31.514 -0.578 1 1 2107 . 3 1 1 A 219 219 ARG N N 432 114.272 119.142 -4.870 1 1 2108 . 3 1 1 A 220 220 CYS H H 433 8.828 8.322 0.506 1 1 2109 . 3 1 1 A 220 220 CYS HA H 433 4.464 4.130 0.334 1 1 2112 . 3 1 1 A 220 220 CYS C C 433 176.708 176.098 0.610 1 1 2113 . 3 1 1 A 220 220 CYS CA C 433 66.312 63.912 2.400 1 1 2114 . 3 1 1 A 220 220 CYS CB C 433 47.095 25.926 21.169 1 1 2115 . 3 1 1 A 220 220 CYS N N 433 120.012 119.703 0.309 1 1 2116 . 3 1 1 A 221 221 PRO HA H 434 4.463 4.660 -0.197 1 1 2123 . 3 1 1 A 221 221 PRO C C 434 177.064 175.658 1.406 1 1 2124 . 3 1 1 A 221 221 PRO CA C 434 65.717 62.485 3.232 1 1 2125 . 3 1 1 A 221 221 PRO CB C 434 31.169 29.259 1.910 1 1 2128 . 3 1 1 A 222 222 ARG H H 435 6.904 8.990 -2.086 1 1 2129 . 3 1 1 A 222 222 ARG HA H 435 4.331 4.604 -0.273 1 1 2136 . 3 1 1 A 222 222 ARG C C 435 176.536 176.867 -0.331 1 1 2137 . 3 1 1 A 222 222 ARG CA C 435 55.901 55.692 0.209 1 1 2138 . 3 1 1 A 222 222 ARG CB C 435 30.116 33.030 -2.914 1 1 2141 . 3 1 1 A 222 222 ARG N N 435 112.486 122.282 -9.796 1 1 2142 . 3 1 1 A 223 223 GLY H H 436 8.160 8.378 -0.218 1 1 2143 . 3 1 1 A 223 223 GLY HA2 H 436 4.237 4.066 0.171 1 1 2144 . 3 1 1 A 223 223 GLY HA3 H 436 3.643 4.077 -0.434 1 1 2145 . 3 1 1 A 223 223 GLY C C 436 173.338 173.589 -0.251 1 1 2146 . 3 1 1 A 223 223 GLY CA C 436 43.988 45.098 -1.110 1 1 2147 . 3 1 1 A 223 223 GLY N N 436 105.931 107.786 -1.855 1 1 2148 . 3 1 1 A 224 224 ASP H H 437 6.891 7.919 -1.028 1 1 2149 . 3 1 1 A 224 224 ASP HA H 437 4.500 5.028 -0.528 1 1 2151 . 3 1 1 A 224 224 ASP C C 437 173.806 175.525 -1.719 1 1 2152 . 3 1 1 A 224 224 ASP CA C 437 54.576 52.895 1.681 1 1 2153 . 3 1 1 A 224 224 ASP CB C 437 40.588 43.673 -3.085 1 1 2154 . 3 1 1 A 224 224 ASP N N 437 119.342 120.229 -0.887 1 1 2155 . 3 1 1 A 225 225 ASP H H 438 8.054 8.702 -0.648 1 1 2156 . 3 1 1 A 225 225 ASP HA H 438 4.912 4.635 0.277 1 1 2159 . 3 1 1 A 225 225 ASP C C 438 175.631 176.643 -1.012 1 1 2160 . 3 1 1 A 225 225 ASP CA C 438 52.579 54.231 -1.652 1 1 2161 . 3 1 1 A 225 225 ASP CB C 438 42.616 41.569 1.047 1 1 2162 . 3 1 1 A 225 225 ASP N N 438 117.877 122.516 -4.639 1 1 2163 . 3 1 1 A 226 226 ILE H H 439 9.101 8.253 0.848 1 1 2164 . 3 1 1 A 226 226 ILE HA H 439 3.621 3.823 -0.202 1 1 2174 . 3 1 1 A 226 226 ILE C C 439 176.146 177.804 -1.658 1 1 2175 . 3 1 1 A 226 226 ILE CA C 439 62.602 63.441 -0.839 1 1 2176 . 3 1 1 A 226 226 ILE CB C 439 36.530 37.824 -1.294 1 1 2180 . 3 1 1 A 226 226 ILE N N 439 118.352 121.881 -3.529 1 1 2181 . 3 1 1 A 227 227 LEU H H 440 7.814 7.535 0.279 1 1 2182 . 3 1 1 A 227 227 LEU HA H 440 3.918 3.589 0.329 1 1 2192 . 3 1 1 A 227 227 LEU C C 440 179.397 177.092 2.305 1 1 2193 . 3 1 1 A 227 227 LEU CA C 440 58.566 56.467 2.099 1 1 2194 . 3 1 1 A 227 227 LEU CB C 440 40.819 41.571 -0.752 1 1 2198 . 3 1 1 A 227 227 LEU N N 440 119.906 120.245 -0.339 1 1 2199 . 3 1 1 A 228 228 THR H H 441 7.665 7.965 -0.300 1 1 2200 . 3 1 1 A 228 228 THR HA H 441 4.289 4.538 -0.249 1 1 2205 . 3 1 1 A 228 228 THR C C 441 179.489 175.249 4.240 1 1 2206 . 3 1 1 A 228 228 THR CA C 441 61.837 61.127 0.710 1 1 2207 . 3 1 1 A 228 228 THR CB C 441 69.979 69.540 0.439 1 1 2209 . 3 1 1 A 228 228 THR N N 441 120.011 112.656 7.355 1 1 2210 . 3 1 1 A 229 229 ILE H H 442 7.807 7.546 0.261 1 1 2211 . 3 1 1 A 229 229 ILE HA H 442 3.300 4.185 -0.885 1 1 2221 . 3 1 1 A 229 229 ILE C C 442 177.728 175.877 1.851 1 1 2222 . 3 1 1 A 229 229 ILE CA C 442 66.069 61.807 4.262 1 1 2223 . 3 1 1 A 229 229 ILE CB C 442 38.260 38.956 -0.696 1 1 2227 . 3 1 1 A 229 229 ILE N N 442 119.411 120.581 -1.170 1 1 2228 . 3 1 1 A 230 230 LEU H H 443 8.530 7.141 1.389 1 1 2229 . 3 1 1 A 230 230 LEU HA H 443 3.958 3.898 0.060 1 1 2239 . 3 1 1 A 230 230 LEU C C 443 178.689 177.592 1.097 1 1 2240 . 3 1 1 A 230 230 LEU CA C 443 57.697 55.318 2.379 1 1 2241 . 3 1 1 A 230 230 LEU CB C 443 42.191 42.225 -0.034 1 1 2245 . 3 1 1 A 230 230 LEU N N 443 116.186 122.809 -6.623 1 1 2246 . 3 1 1 A 231 231 THR H H 444 8.008 8.935 -0.927 1 1 2247 . 3 1 1 A 231 231 THR HA H 444 4.153 4.108 0.045 1 1 2252 . 3 1 1 A 231 231 THR C C 444 175.208 175.389 -0.181 1 1 2253 . 3 1 1 A 231 231 THR CA C 444 65.327 63.104 2.223 1 1 2254 . 3 1 1 A 231 231 THR CB C 444 69.718 68.489 1.229 1 1 2256 . 3 1 1 A 231 231 THR N N 444 112.075 120.995 -8.920 1 1 2257 . 3 1 1 A 232 232 GLU H H 445 7.717 8.238 -0.521 1 1 2258 . 3 1 1 A 232 232 GLU HA H 445 4.186 4.214 -0.028 1 1 2259 . 3 1 1 A 232 232 GLU C C 445 177.156 178.419 -1.263 1 1 2260 . 3 1 1 A 232 232 GLU CA C 445 57.891 58.685 -0.794 1 1 2261 . 3 1 1 A 232 232 GLU CB C 445 28.836 29.212 -0.376 1 1 2263 . 3 1 1 A 232 232 GLU N N 445 120.074 120.805 -0.731 1 1 2294 . 3 1 1 A 252 252 GLN H H 465 8.586 7.953 0.633 1 1 2295 . 3 1 1 A 252 252 GLN HA H 465 4.689 3.943 0.746 1 1 2296 . 3 1 1 A 252 252 GLN C C 465 174.446 175.004 -0.558 1 1 2297 . 3 1 1 A 252 252 GLN CA C 465 53.682 56.626 -2.944 1 1 2298 . 3 1 1 A 252 252 GLN CB C 465 28.537 27.227 1.310 1 1 2300 . 3 1 1 A 252 252 GLN N N 465 121.782 118.352 3.430 1 1 2301 . 3 1 1 A 253 253 PRO HA H 466 4.902 4.586 0.316 1 1 2302 . 3 1 1 A 253 253 PRO C C 466 174.937 176.342 -1.405 1 1 2303 . 3 1 1 A 253 253 PRO CA C 466 63.075 62.782 0.293 1 1 2304 . 3 1 1 A 253 253 PRO CB C 466 32.384 32.620 -0.236 1 1 2307 . 3 1 1 A 254 254 THR H H 467 8.556 8.680 -0.124 1 1 2308 . 3 1 1 A 254 254 THR HA H 467 4.659 4.522 0.137 1 1 2313 . 3 1 1 A 254 254 THR C C 467 172.995 173.807 -0.812 1 1 2314 . 3 1 1 A 254 254 THR CA C 467 61.740 60.413 1.327 1 1 2315 . 3 1 1 A 254 254 THR CB C 467 70.195 68.713 1.482 1 1 2317 . 3 1 1 A 254 254 THR N N 467 115.754 116.142 -0.388 1 1 2318 . 3 1 1 A 255 255 PHE H H 468 8.560 7.280 1.280 1 1 2319 . 3 1 1 A 255 255 PHE HA H 468 5.502 5.821 -0.319 1 1 2322 . 3 1 1 A 255 255 PHE C C 468 173.198 173.461 -0.263 1 1 2323 . 3 1 1 A 255 255 PHE CA C 468 56.283 55.223 1.060 1 1 2324 . 3 1 1 A 255 255 PHE CB C 468 43.426 43.197 0.229 1 1 2325 . 3 1 1 A 255 255 PHE N N 468 120.481 117.296 3.185 1 1 2326 . 3 1 1 A 256 256 THR H H 469 9.702 8.757 0.945 1 1 2327 . 3 1 1 A 256 256 THR HA H 469 4.662 5.189 -0.527 1 1 2332 . 3 1 1 A 256 256 THR C C 469 176.561 173.439 3.122 1 1 2333 . 3 1 1 A 256 256 THR CA C 469 59.948 60.653 -0.705 1 1 2334 . 3 1 1 A 256 256 THR CB C 469 69.145 71.362 -2.217 1 1 2336 . 3 1 1 A 256 256 THR N N 469 108.601 111.734 -3.133 1 1 2337 . 3 1 1 A 257 257 LEU H H 470 7.235 8.822 -1.587 1 1 2338 . 3 1 1 A 257 257 LEU HA H 470 4.401 4.929 -0.528 1 1 2348 . 3 1 1 A 257 257 LEU C C 470 175.975 176.589 -0.614 1 1 2349 . 3 1 1 A 257 257 LEU CA C 470 55.492 53.585 1.907 1 1 2350 . 3 1 1 A 257 257 LEU CB C 470 41.850 45.560 -3.710 1 1 2354 . 3 1 1 A 257 257 LEU N N 470 120.802 125.696 -4.894 1 1 2355 . 3 1 1 A 258 258 ARG H H 471 8.228 9.244 -1.016 1 1 2356 . 3 1 1 A 258 258 ARG HA H 471 4.631 4.300 0.331 1 1 2363 . 3 1 1 A 258 258 ARG C C 471 174.114 176.234 -2.120 1 1 2364 . 3 1 1 A 258 258 ARG CA C 471 55.071 57.983 -2.912 1 1 2365 . 3 1 1 A 258 258 ARG CB C 471 32.470 30.657 1.813 1 1 2368 . 3 1 1 A 258 258 ARG N N 471 118.883 122.386 -3.503 1 1 2369 . 3 1 1 A 259 259 LYS H H 472 7.217 7.531 -0.314 1 1 2370 . 3 1 1 A 259 259 LYS HA H 472 4.260 4.414 -0.154 1 1 2379 . 3 1 1 A 259 259 LYS C C 472 174.571 175.734 -1.163 1 1 2380 . 3 1 1 A 259 259 LYS CA C 472 53.269 55.593 -2.324 1 1 2381 . 3 1 1 A 259 259 LYS CB C 472 36.332 33.662 2.670 1 1 2385 . 3 1 1 A 259 259 LYS N N 472 116.031 116.583 -0.552 1 1 2386 . 3 1 1 A 260 260 LYS H H 473 8.357 8.384 -0.027 1 1 2387 . 3 1 1 A 260 260 LYS HA H 473 4.297 4.621 -0.324 1 1 2396 . 3 1 1 A 260 260 LYS C C 473 174.137 175.213 -1.076 1 1 2397 . 3 1 1 A 260 260 LYS CA C 473 57.258 55.248 2.010 1 1 2398 . 3 1 1 A 260 260 LYS CB C 473 33.561 33.220 0.341 1 1 2402 . 3 1 1 A 260 260 LYS N N 473 119.377 121.266 -1.889 1 1 2403 . 3 1 1 A 261 261 LEU H H 474 9.288 8.853 0.435 1 1 2404 . 3 1 1 A 261 261 LEU HA H 474 5.048 4.782 0.266 1 1 2414 . 3 1 1 A 261 261 LEU C C 474 172.558 174.917 -2.359 1 1 2415 . 3 1 1 A 261 261 LEU CA C 474 53.327 54.508 -1.181 1 1 2416 . 3 1 1 A 261 261 LEU CB C 474 44.313 42.023 2.290 1 1 2420 . 3 1 1 A 261 261 LEU N N 474 126.482 128.795 -2.313 1 1 2421 . 3 1 1 A 262 262 VAL H H 475 8.876 8.401 0.475 1 1 2422 . 3 1 1 A 262 262 VAL HA H 475 4.238 4.437 -0.199 1 1 2430 . 3 1 1 A 262 262 VAL C C 475 174.243 175.662 -1.419 1 1 2431 . 3 1 1 A 262 262 VAL CA C 475 59.734 61.469 -1.735 1 1 2432 . 3 1 1 A 262 262 VAL CB C 475 34.790 32.702 2.088 1 1 2435 . 3 1 1 A 262 262 VAL N N 475 124.316 127.483 -3.167 1 1 2436 . 3 1 1 A 263 263 PHE H H 476 8.826 8.574 0.252 1 1 2437 . 3 1 1 A 263 263 PHE HA H 476 5.518 4.182 1.336 1 1 2443 . 3 1 1 A 263 263 PHE C C 476 171.887 176.292 -4.405 1 1 2444 . 3 1 1 A 263 263 PHE CA C 476 52.082 61.119 -9.037 1 1 2445 . 3 1 1 A 263 263 PHE CB C 476 39.792 38.731 1.061 1 1 2449 . 3 1 1 A 263 263 PHE N N 476 122.867 127.289 -4.422 1 1 2450 . 3 1 1 A 264 264 PRO HA H 477 4.649 4.523 0.126 1 1 2457 . 3 1 1 A 264 264 PRO C C 477 178.322 177.567 0.755 1 1 2458 . 3 1 1 A 264 264 PRO CA C 477 62.333 62.863 -0.530 1 1 2459 . 3 1 1 A 264 264 PRO CB C 477 32.553 32.713 -0.160 1 1 2462 . 3 1 1 A 265 265 SER H H 478 8.763 8.766 -0.003 1 1 2463 . 3 1 1 A 265 265 SER HA H 478 4.494 4.220 0.274 1 1 2466 . 3 1 1 A 265 265 SER C C 478 173.725 174.943 -1.218 1 1 2467 . 3 1 1 A 265 265 SER CA C 478 59.060 60.693 -1.633 1 1 2468 . 3 1 1 A 265 265 SER CB C 478 64.038 63.212 0.826 1 1 2469 . 3 1 1 A 265 265 SER N N 478 116.725 114.431 2.294 1 1 17 . 4 1 1 A 12 12 VAL H H 225 7.819 7.792 0.027 1 1 18 . 4 1 1 A 12 12 VAL HA H 225 4.946 4.473 0.473 1 1 26 . 4 1 1 A 12 12 VAL C C 225 175.898 174.744 1.154 1 1 27 . 4 1 1 A 12 12 VAL CA C 225 59.650 60.941 -1.291 1 1 28 . 4 1 1 A 12 12 VAL CB C 225 35.296 34.451 0.845 1 1 31 . 4 1 1 A 12 12 VAL N N 225 117.637 117.518 0.119 1 1 32 . 4 1 1 A 13 13 TYR H H 226 8.318 9.051 -0.733 1 1 33 . 4 1 1 A 13 13 TYR HA H 226 4.291 4.124 0.167 1 1 36 . 4 1 1 A 13 13 TYR C C 226 176.911 175.885 1.026 1 1 37 . 4 1 1 A 13 13 TYR CA C 226 60.063 58.719 1.344 1 1 38 . 4 1 1 A 13 13 TYR CB C 226 37.843 36.722 1.121 1 1 39 . 4 1 1 A 13 13 TYR N N 226 122.976 127.266 -4.290 1 1 40 . 4 1 1 A 14 14 GLN H H 227 9.128 7.994 1.134 1 1 41 . 4 1 1 A 14 14 GLN HA H 227 3.996 4.388 -0.392 1 1 46 . 4 1 1 A 14 14 GLN C C 227 175.052 176.710 -1.658 1 1 47 . 4 1 1 A 14 14 GLN CA C 227 57.421 57.463 -0.042 1 1 48 . 4 1 1 A 14 14 GLN CB C 227 29.550 28.849 0.701 1 1 50 . 4 1 1 A 14 14 GLN N N 227 124.676 120.745 3.931 1 1 51 . 4 1 1 A 15 15 MET H H 228 8.465 7.960 0.505 1 1 52 . 4 1 1 A 15 15 MET HA H 228 5.210 4.415 0.795 1 1 60 . 4 1 1 A 15 15 MET C C 228 172.979 176.605 -3.626 1 1 61 . 4 1 1 A 15 15 MET CA C 228 52.955 53.973 -1.018 1 1 62 . 4 1 1 A 15 15 MET CB C 228 30.751 30.653 0.098 1 1 65 . 4 1 1 A 15 15 MET N N 228 128.835 119.653 9.182 1 1 66 . 4 1 1 A 16 16 LYS H H 229 9.119 8.219 0.900 1 1 67 . 4 1 1 A 16 16 LYS HA H 229 4.558 4.512 0.046 1 1 76 . 4 1 1 A 16 16 LYS C C 229 176.209 176.741 -0.532 1 1 77 . 4 1 1 A 16 16 LYS CA C 229 55.916 57.011 -1.095 1 1 78 . 4 1 1 A 16 16 LYS CB C 229 35.555 32.222 3.333 1 1 82 . 4 1 1 A 16 16 LYS N N 229 120.235 121.998 -1.763 1 1 83 . 4 1 1 A 17 17 SER H H 230 9.101 7.690 1.411 1 1 84 . 4 1 1 A 17 17 SER HA H 230 4.077 4.495 -0.418 1 1 87 . 4 1 1 A 17 17 SER C C 230 172.995 174.206 -1.211 1 1 88 . 4 1 1 A 17 17 SER CA C 230 59.615 58.820 0.795 1 1 89 . 4 1 1 A 17 17 SER CB C 230 64.482 64.331 0.151 1 1 90 . 4 1 1 A 17 17 SER N N 230 121.500 116.874 4.626 1 1 91 . 4 1 1 A 18 18 LYS H H 231 8.120 8.324 -0.204 1 1 92 . 4 1 1 A 18 18 LYS HA H 231 4.373 4.601 -0.228 1 1 101 . 4 1 1 A 18 18 LYS C C 231 173.565 176.090 -2.525 1 1 102 . 4 1 1 A 18 18 LYS CA C 231 53.231 54.515 -1.284 1 1 103 . 4 1 1 A 18 18 LYS CB C 231 34.596 32.733 1.863 1 1 107 . 4 1 1 A 18 18 LYS N N 231 120.561 122.333 -1.772 1 1 108 . 4 1 1 A 19 19 PRO HA H 232 4.898 4.627 0.271 1 1 115 . 4 1 1 A 19 19 PRO C C 232 176.162 176.971 -0.809 1 1 116 . 4 1 1 A 19 19 PRO CA C 232 62.838 62.319 0.519 1 1 117 . 4 1 1 A 19 19 PRO CB C 232 34.997 32.749 2.248 1 1 120 . 4 1 1 A 20 20 ARG H H 233 8.782 8.965 -0.183 1 1 121 . 4 1 1 A 20 20 ARG HA H 233 3.651 3.922 -0.271 1 1 122 . 4 1 1 A 20 20 ARG C C 233 175.210 175.837 -0.627 1 1 123 . 4 1 1 A 20 20 ARG CA C 233 56.621 57.495 -0.874 1 1 124 . 4 1 1 A 20 20 ARG CB C 233 30.581 27.947 2.634 1 1 127 . 4 1 1 A 20 20 ARG N N 233 118.785 116.078 2.707 1 1 128 . 4 1 1 A 21 21 GLY H H 234 6.490 8.251 -1.761 1 1 129 . 4 1 1 A 21 21 GLY HA2 H 234 4.312 3.579 0.733 1 1 130 . 4 1 1 A 21 21 GLY HA3 H 234 4.662 4.042 0.620 1 1 131 . 4 1 1 A 21 21 GLY C C 234 172.012 172.548 -0.536 1 1 132 . 4 1 1 A 21 21 GLY CA C 234 43.743 44.849 -1.106 1 1 133 . 4 1 1 A 21 21 GLY N N 234 128.529 106.549 21.980 1 1 134 . 4 1 1 A 22 22 TYR H H 235 9.327 8.222 1.105 1 1 135 . 4 1 1 A 22 22 TYR HA H 235 5.260 5.000 0.260 1 1 140 . 4 1 1 A 22 22 TYR C C 235 173.931 175.860 -1.929 1 1 141 . 4 1 1 A 22 22 TYR CA C 235 58.287 56.453 1.834 1 1 142 . 4 1 1 A 22 22 TYR CB C 235 39.762 39.274 0.488 1 1 145 . 4 1 1 A 22 22 TYR N N 235 119.429 119.454 -0.025 1 1 146 . 4 1 1 A 23 23 CYS H H 236 8.665 8.289 0.376 1 1 147 . 4 1 1 A 23 23 CYS HA H 236 4.928 4.701 0.227 1 1 148 . 4 1 1 A 23 23 CYS C C 236 172.970 174.590 -1.620 1 1 149 . 4 1 1 A 23 23 CYS CA C 236 55.636 59.130 -3.494 1 1 150 . 4 1 1 A 23 23 CYS CB C 236 50.040 29.054 20.986 1 1 151 . 4 1 1 A 23 23 CYS N N 236 120.485 123.337 -2.852 1 1 152 . 4 1 1 A 24 24 LEU H H 237 8.619 8.362 0.257 1 1 153 . 4 1 1 A 24 24 LEU HA H 237 4.691 4.986 -0.295 1 1 163 . 4 1 1 A 24 24 LEU C C 237 175.850 175.392 0.458 1 1 164 . 4 1 1 A 24 24 LEU CA C 237 54.053 54.026 0.027 1 1 165 . 4 1 1 A 24 24 LEU CB C 237 44.117 43.467 0.650 1 1 169 . 4 1 1 A 24 24 LEU N N 237 129.465 122.334 7.131 1 1 170 . 4 1 1 A 25 25 ILE H H 238 8.304 9.244 -0.940 1 1 171 . 4 1 1 A 25 25 ILE HA H 238 4.639 5.020 -0.381 1 1 179 . 4 1 1 A 25 25 ILE C C 238 174.032 175.364 -1.332 1 1 180 . 4 1 1 A 25 25 ILE CA C 238 60.879 59.776 1.103 1 1 181 . 4 1 1 A 25 25 ILE CB C 238 41.165 40.808 0.357 1 1 185 . 4 1 1 A 25 25 ILE N N 238 122.597 125.378 -2.781 1 1 186 . 4 1 1 A 26 26 ILE H H 239 9.025 8.764 0.261 1 1 187 . 4 1 1 A 26 26 ILE HA H 239 4.778 5.008 -0.230 1 1 197 . 4 1 1 A 26 26 ILE C C 239 173.104 174.253 -1.149 1 1 198 . 4 1 1 A 26 26 ILE CA C 239 60.733 60.128 0.605 1 1 199 . 4 1 1 A 26 26 ILE CB C 239 38.237 41.047 -2.810 1 1 203 . 4 1 1 A 26 26 ILE N N 239 129.303 126.676 2.627 1 1 204 . 4 1 1 A 27 27 ASN H H 240 8.957 9.189 -0.232 1 1 205 . 4 1 1 A 27 27 ASN HA H 240 5.174 5.579 -0.405 1 1 208 . 4 1 1 A 27 27 ASN C C 240 172.948 173.526 -0.578 1 1 209 . 4 1 1 A 27 27 ASN CA C 240 52.055 51.842 0.213 1 1 210 . 4 1 1 A 27 27 ASN CB C 240 40.530 42.448 -1.918 1 1 211 . 4 1 1 A 27 27 ASN N N 240 125.494 126.955 -1.461 1 1 212 . 4 1 1 A 28 28 ASN H H 241 9.118 8.632 0.486 1 1 213 . 4 1 1 A 28 28 ASN HA H 241 5.106 5.445 -0.339 1 1 216 . 4 1 1 A 28 28 ASN C C 241 172.184 174.483 -2.299 1 1 217 . 4 1 1 A 28 28 ASN CA C 241 52.599 51.765 0.834 1 1 218 . 4 1 1 A 28 28 ASN CB C 241 38.296 42.762 -4.466 1 1 219 . 4 1 1 A 28 28 ASN N N 241 125.089 121.395 3.694 1 1 220 . 4 1 1 A 29 29 HIS H H 242 9.512 8.779 0.733 1 1 221 . 4 1 1 A 29 29 HIS HA H 242 4.384 4.876 -0.492 1 1 224 . 4 1 1 A 29 29 HIS C C 242 173.519 175.294 -1.775 1 1 225 . 4 1 1 A 29 29 HIS CA C 242 59.174 55.413 3.761 1 1 226 . 4 1 1 A 29 29 HIS CB C 242 28.022 30.424 -2.402 1 1 227 . 4 1 1 A 29 29 HIS N N 242 125.634 120.156 5.478 1 1 228 . 4 1 1 A 30 30 ASN H H 243 8.623 7.966 0.657 1 1 229 . 4 1 1 A 30 30 ASN HA H 243 4.148 4.723 -0.575 1 1 234 . 4 1 1 A 30 30 ASN C C 243 175.052 175.579 -0.527 1 1 235 . 4 1 1 A 30 30 ASN CA C 243 53.229 53.209 0.020 1 1 236 . 4 1 1 A 30 30 ASN CB C 243 38.980 39.682 -0.702 1 1 237 . 4 1 1 A 30 30 ASN N N 243 119.059 118.400 0.659 1 1 239 . 4 1 1 A 31 31 PHE H H 244 8.676 8.688 -0.012 1 1 240 . 4 1 1 A 31 31 PHE HA H 244 4.686 4.747 -0.061 1 1 243 . 4 1 1 A 31 31 PHE C C 244 174.399 176.518 -2.119 1 1 244 . 4 1 1 A 31 31 PHE CA C 244 57.688 58.634 -0.946 1 1 245 . 4 1 1 A 31 31 PHE CB C 244 39.026 40.557 -1.531 1 1 246 . 4 1 1 A 31 31 PHE N N 244 124.091 124.412 -0.321 1 1 247 . 4 1 1 A 32 32 ALA H H 245 8.244 8.133 0.111 1 1 248 . 4 1 1 A 32 32 ALA HA H 245 3.869 4.091 -0.222 1 1 252 . 4 1 1 A 32 32 ALA C C 245 180.452 177.754 2.698 1 1 253 . 4 1 1 A 32 32 ALA CA C 245 56.274 54.773 1.501 1 1 254 . 4 1 1 A 32 32 ALA CB C 245 18.181 18.795 -0.614 1 1 255 . 4 1 1 A 32 32 ALA N N 245 122.713 121.461 1.252 1 1 256 . 4 1 1 A 33 33 LYS H H 246 8.964 7.701 1.263 1 1 257 . 4 1 1 A 33 33 LYS HA H 246 4.089 4.355 -0.266 1 1 266 . 4 1 1 A 33 33 LYS C C 246 177.441 177.034 0.407 1 1 267 . 4 1 1 A 33 33 LYS CA C 246 58.632 55.901 2.731 1 1 268 . 4 1 1 A 33 33 LYS CB C 246 30.418 33.078 -2.660 1 1 272 . 4 1 1 A 33 33 LYS N N 246 116.888 117.021 -0.133 1 1 273 . 4 1 1 A 34 34 ALA H H 247 7.088 7.717 -0.629 1 1 274 . 4 1 1 A 34 34 ALA HA H 247 3.752 4.397 -0.645 1 1 278 . 4 1 1 A 34 34 ALA C C 247 177.581 177.365 0.216 1 1 279 . 4 1 1 A 34 34 ALA CA C 247 55.502 51.990 3.512 1 1 280 . 4 1 1 A 34 34 ALA CB C 247 18.099 20.044 -1.945 1 1 281 . 4 1 1 A 34 34 ALA N N 247 122.047 122.642 -0.595 1 1 282 . 4 1 1 A 35 35 ARG H H 248 7.706 7.297 0.409 1 1 283 . 4 1 1 A 35 35 ARG HA H 248 4.338 4.019 0.319 1 1 292 . 4 1 1 A 35 35 ARG C C 248 179.094 176.407 2.687 1 1 293 . 4 1 1 A 35 35 ARG CA C 248 56.283 56.357 -0.074 1 1 294 . 4 1 1 A 35 35 ARG CB C 248 30.668 29.289 1.379 1 1 297 . 4 1 1 A 35 35 ARG N N 248 112.008 116.148 -4.140 1 1 299 . 4 1 1 A 36 36 GLU H H 249 7.707 8.853 -1.146 1 1 300 . 4 1 1 A 36 36 GLU HA H 249 4.121 4.164 -0.043 1 1 305 . 4 1 1 A 36 36 GLU C C 249 178.205 177.402 0.803 1 1 306 . 4 1 1 A 36 36 GLU CA C 249 58.194 57.904 0.290 1 1 307 . 4 1 1 A 36 36 GLU CB C 249 30.596 29.336 1.260 1 1 309 . 4 1 1 A 36 36 GLU N N 249 116.945 120.365 -3.420 1 1 310 . 4 1 1 A 37 37 LYS H H 250 7.954 8.014 -0.060 1 1 311 . 4 1 1 A 37 37 LYS HA H 250 4.381 4.184 0.197 1 1 320 . 4 1 1 A 37 37 LYS C C 250 176.772 176.273 0.499 1 1 321 . 4 1 1 A 37 37 LYS CA C 250 57.323 58.071 -0.748 1 1 322 . 4 1 1 A 37 37 LYS CB C 250 34.892 32.716 2.176 1 1 326 . 4 1 1 A 37 37 LYS N N 250 114.798 117.700 -2.902 1 1 327 . 4 1 1 A 38 38 VAL H H 251 8.298 7.345 0.953 1 1 328 . 4 1 1 A 38 38 VAL HA H 251 4.582 4.466 0.116 1 1 336 . 4 1 1 A 38 38 VAL C C 251 174.903 174.743 0.160 1 1 337 . 4 1 1 A 38 38 VAL CA C 251 60.316 59.060 1.256 1 1 338 . 4 1 1 A 38 38 VAL CB C 251 32.374 34.985 -2.611 1 1 341 . 4 1 1 A 38 38 VAL N N 251 120.907 118.706 2.201 1 1 342 . 4 1 1 A 40 40 LYS H H 253 8.588 8.890 -0.302 1 1 343 . 4 1 1 A 40 40 LYS HA H 253 4.275 4.176 0.099 1 1 352 . 4 1 1 A 40 40 LYS C C 253 176.447 177.188 -0.741 1 1 353 . 4 1 1 A 40 40 LYS CA C 253 58.550 58.051 0.499 1 1 354 . 4 1 1 A 40 40 LYS CB C 253 31.568 31.317 0.251 1 1 358 . 4 1 1 A 40 40 LYS N N 253 113.861 115.850 -1.989 1 1 359 . 4 1 1 A 41 41 LEU H H 254 7.948 7.601 0.347 1 1 360 . 4 1 1 A 41 41 LEU HA H 254 4.391 4.537 -0.146 1 1 370 . 4 1 1 A 41 41 LEU C C 254 175.989 177.498 -1.509 1 1 371 . 4 1 1 A 41 41 LEU CA C 254 53.279 54.650 -1.371 1 1 372 . 4 1 1 A 41 41 LEU CB C 254 40.369 41.816 -1.447 1 1 376 . 4 1 1 A 41 41 LEU N N 254 118.998 119.519 -0.521 1 1 377 . 4 1 1 A 42 42 HIS H H 255 7.167 7.839 -0.672 1 1 378 . 4 1 1 A 42 42 HIS HA H 255 4.376 4.358 0.018 1 1 382 . 4 1 1 A 42 42 HIS C C 255 174.836 177.300 -2.464 1 1 383 . 4 1 1 A 42 42 HIS CA C 255 59.188 59.158 0.030 1 1 384 . 4 1 1 A 42 42 HIS CB C 255 30.311 30.101 0.210 1 1 386 . 4 1 1 A 42 42 HIS N N 255 116.251 120.367 -4.116 1 1 387 . 4 1 1 A 43 43 SER H H 256 7.735 7.766 -0.031 1 1 388 . 4 1 1 A 43 43 SER HA H 256 4.490 3.867 0.623 1 1 391 . 4 1 1 A 43 43 SER C C 256 174.045 173.880 0.165 1 1 392 . 4 1 1 A 43 43 SER CA C 256 56.420 59.952 -3.532 1 1 393 . 4 1 1 A 43 43 SER CB C 256 64.093 63.130 0.963 1 1 394 . 4 1 1 A 43 43 SER N N 256 110.725 112.279 -1.554 1 1 395 . 4 1 1 A 44 44 ILE H H 257 7.403 7.379 0.024 1 1 396 . 4 1 1 A 44 44 ILE HA H 257 3.806 4.670 -0.864 1 1 406 . 4 1 1 A 44 44 ILE C C 257 174.321 174.488 -0.167 1 1 407 . 4 1 1 A 44 44 ILE CA C 257 61.640 59.509 2.131 1 1 408 . 4 1 1 A 44 44 ILE CB C 257 38.324 41.258 -2.934 1 1 412 . 4 1 1 A 44 44 ILE N N 257 124.717 122.628 2.089 1 1 413 . 4 1 1 A 45 45 ARG H H 258 8.043 8.645 -0.602 1 1 414 . 4 1 1 A 45 45 ARG HA H 258 4.201 4.214 -0.013 1 1 421 . 4 1 1 A 45 45 ARG C C 258 177.535 176.443 1.092 1 1 422 . 4 1 1 A 45 45 ARG CA C 258 55.412 53.828 1.584 1 1 423 . 4 1 1 A 45 45 ARG CB C 258 31.546 32.312 -0.766 1 1 426 . 4 1 1 A 45 45 ARG N N 258 124.319 127.015 -2.696 1 1 427 . 4 1 1 A 46 46 ASP H H 259 8.584 8.513 0.071 1 1 428 . 4 1 1 A 46 46 ASP HA H 259 5.096 4.352 0.744 1 1 431 . 4 1 1 A 46 46 ASP C C 259 177.819 176.104 1.715 1 1 432 . 4 1 1 A 46 46 ASP CA C 259 55.248 56.927 -1.679 1 1 433 . 4 1 1 A 46 46 ASP CB C 259 39.614 40.091 -0.477 1 1 434 . 4 1 1 A 46 46 ASP N N 259 120.371 120.930 -0.559 1 1 435 . 4 1 1 A 47 47 ARG H H 260 8.632 7.637 0.995 1 1 442 . 4 1 1 A 47 47 ARG CA C 260 56.228 57.605 -1.377 1 1 443 . 4 1 1 A 47 47 ARG CB C 260 26.981 29.996 -3.015 1 1 445 . 4 1 1 A 47 47 ARG N N 260 123.120 120.336 2.784 1 1 447 . 4 1 1 A 51 51 HIS HA H 264 4.293 4.542 -0.249 1 1 451 . 4 1 1 A 51 51 HIS C C 264 178.002 176.681 1.321 1 1 452 . 4 1 1 A 51 51 HIS CA C 264 60.062 57.306 2.756 1 1 453 . 4 1 1 A 51 51 HIS CB C 264 29.109 29.521 -0.412 1 1 455 . 4 1 1 A 52 52 LEU H H 265 7.474 7.897 -0.423 1 1 456 . 4 1 1 A 52 52 LEU HA H 265 4.125 4.082 0.043 1 1 466 . 4 1 1 A 52 52 LEU C C 265 180.623 179.154 1.469 1 1 467 . 4 1 1 A 52 52 LEU CA C 265 56.921 57.391 -0.470 1 1 468 . 4 1 1 A 52 52 LEU CB C 265 40.572 41.451 -0.879 1 1 472 . 4 1 1 A 52 52 LEU N N 265 122.692 121.416 1.276 1 1 473 . 4 1 1 A 53 53 ASP H H 266 6.993 7.978 -0.985 1 1 474 . 4 1 1 A 53 53 ASP C C 266 176.536 177.722 -1.186 1 1 475 . 4 1 1 A 53 53 ASP CA C 266 56.718 56.527 0.191 1 1 476 . 4 1 1 A 53 53 ASP CB C 266 39.787 41.557 -1.770 1 1 477 . 4 1 1 A 53 53 ASP N N 266 122.192 119.947 2.245 1 1 478 . 4 1 1 A 54 54 ALA H H 267 8.217 8.356 -0.139 1 1 479 . 4 1 1 A 54 54 ALA HA H 267 3.840 4.096 -0.256 1 1 483 . 4 1 1 A 54 54 ALA C C 267 180.507 180.178 0.329 1 1 484 . 4 1 1 A 54 54 ALA CA C 267 55.836 54.934 0.902 1 1 485 . 4 1 1 A 54 54 ALA CB C 267 17.386 18.683 -1.297 1 1 486 . 4 1 1 A 54 54 ALA N N 267 121.612 121.542 0.070 1 1 487 . 4 1 1 A 55 55 GLY H H 268 8.481 8.288 0.193 1 1 488 . 4 1 1 A 55 55 GLY C C 268 174.929 176.330 -1.401 1 1 489 . 4 1 1 A 55 55 GLY CA C 268 46.546 46.915 -0.369 1 1 490 . 4 1 1 A 55 55 GLY N N 268 107.453 106.909 0.544 1 1 491 . 4 1 1 A 56 56 ALA H H 269 7.759 7.735 0.024 1 1 492 . 4 1 1 A 56 56 ALA HA H 269 4.190 4.054 0.136 1 1 496 . 4 1 1 A 56 56 ALA C C 269 180.493 180.475 0.018 1 1 497 . 4 1 1 A 56 56 ALA CA C 269 55.311 54.541 0.770 1 1 498 . 4 1 1 A 56 56 ALA CB C 269 17.951 18.857 -0.906 1 1 499 . 4 1 1 A 56 56 ALA N N 269 125.518 125.075 0.443 1 1 500 . 4 1 1 A 57 57 LEU H H 270 8.224 7.779 0.445 1 1 501 . 4 1 1 A 57 57 LEU HA H 270 3.840 4.018 -0.178 1 1 506 . 4 1 1 A 57 57 LEU C C 270 177.499 179.429 -1.930 1 1 507 . 4 1 1 A 57 57 LEU CA C 270 58.315 57.974 0.341 1 1 508 . 4 1 1 A 57 57 LEU CB C 270 43.182 42.396 0.786 1 1 511 . 4 1 1 A 57 57 LEU N N 270 121.610 119.285 2.325 1 1 512 . 4 1 1 A 58 58 THR H H 271 7.976 8.259 -0.283 1 1 513 . 4 1 1 A 58 58 THR HA H 271 4.432 4.092 0.340 1 1 518 . 4 1 1 A 58 58 THR C C 271 174.457 176.630 -2.173 1 1 519 . 4 1 1 A 58 58 THR CA C 271 68.788 66.947 1.841 1 1 520 . 4 1 1 A 58 58 THR CB C 271 67.557 68.848 -1.291 1 1 522 . 4 1 1 A 58 58 THR N N 271 115.528 115.746 -0.218 1 1 523 . 4 1 1 A 59 59 THR H H 272 8.085 8.997 -0.912 1 1 524 . 4 1 1 A 59 59 THR HA H 272 3.911 4.025 -0.114 1 1 529 . 4 1 1 A 59 59 THR C C 272 176.131 176.656 -0.525 1 1 530 . 4 1 1 A 59 59 THR CA C 272 65.908 65.169 0.739 1 1 531 . 4 1 1 A 59 59 THR CB C 272 69.045 68.762 0.283 1 1 533 . 4 1 1 A 59 59 THR N N 272 114.864 114.041 0.823 1 1 534 . 4 1 1 A 60 60 THR H H 273 7.875 7.592 0.283 1 1 535 . 4 1 1 A 60 60 THR HA H 273 3.423 3.759 -0.336 1 1 540 . 4 1 1 A 60 60 THR C C 273 175.166 175.545 -0.379 1 1 541 . 4 1 1 A 60 60 THR CA C 273 67.291 66.125 1.166 1 1 542 . 4 1 1 A 60 60 THR CB C 273 68.824 68.181 0.643 1 1 544 . 4 1 1 A 60 60 THR N N 273 116.718 117.172 -0.454 1 1 545 . 4 1 1 A 61 61 PHE H H 274 8.219 7.860 0.359 1 1 546 . 4 1 1 A 61 61 PHE HA H 274 4.213 4.534 -0.321 1 1 552 . 4 1 1 A 61 61 PHE C C 274 178.034 177.562 0.472 1 1 553 . 4 1 1 A 61 61 PHE CA C 274 63.308 60.453 2.855 1 1 554 . 4 1 1 A 61 61 PHE CB C 274 37.080 40.617 -3.537 1 1 558 . 4 1 1 A 61 61 PHE N N 274 114.721 117.264 -2.543 1 1 559 . 4 1 1 A 62 62 GLU H H 275 8.810 9.198 -0.388 1 1 560 . 4 1 1 A 62 62 GLU HA H 275 4.416 4.126 0.290 1 1 565 . 4 1 1 A 62 62 GLU C C 275 181.232 178.997 2.235 1 1 566 . 4 1 1 A 62 62 GLU CA C 275 60.190 60.445 -0.255 1 1 567 . 4 1 1 A 62 62 GLU CB C 275 28.990 29.221 -0.231 1 1 569 . 4 1 1 A 62 62 GLU N N 275 123.787 120.824 2.963 1 1 570 . 4 1 1 A 63 63 GLU H H 276 7.698 8.095 -0.397 1 1 571 . 4 1 1 A 63 63 GLU HA H 276 3.871 4.063 -0.192 1 1 575 . 4 1 1 A 63 63 GLU C C 276 176.721 177.323 -0.602 1 1 576 . 4 1 1 A 63 63 GLU CA C 276 58.821 58.583 0.238 1 1 577 . 4 1 1 A 63 63 GLU CB C 276 29.251 28.324 0.927 1 1 579 . 4 1 1 A 63 63 GLU N N 276 120.707 117.674 3.033 1 1 580 . 4 1 1 A 64 64 LEU H H 277 6.708 8.016 -1.308 1 1 581 . 4 1 1 A 64 64 LEU HA H 277 4.148 4.035 0.113 1 1 589 . 4 1 1 A 64 64 LEU C C 277 174.571 176.079 -1.508 1 1 590 . 4 1 1 A 64 64 LEU CA C 277 54.060 55.071 -1.011 1 1 594 . 4 1 1 A 64 64 LEU N N 277 115.451 119.210 -3.759 1 1 595 . 4 1 1 A 65 65 HIS H H 278 7.388 8.266 -0.878 1 1 596 . 4 1 1 A 65 65 HIS HA H 278 4.259 4.257 0.002 1 1 599 . 4 1 1 A 65 65 HIS C C 278 174.571 174.070 0.501 1 1 600 . 4 1 1 A 65 65 HIS CA C 278 57.737 56.933 0.804 1 1 601 . 4 1 1 A 65 65 HIS CB C 278 26.020 26.695 -0.675 1 1 602 . 4 1 1 A 65 65 HIS N N 278 107.287 115.483 -8.196 1 1 603 . 4 1 1 A 66 66 PHE H H 279 8.554 8.005 0.549 1 1 604 . 4 1 1 A 66 66 PHE HA H 279 4.462 5.216 -0.754 1 1 610 . 4 1 1 A 66 66 PHE C C 279 174.258 172.612 1.646 1 1 611 . 4 1 1 A 66 66 PHE CA C 279 58.032 55.278 2.754 1 1 612 . 4 1 1 A 66 66 PHE CB C 279 39.809 41.561 -1.752 1 1 616 . 4 1 1 A 66 66 PHE N N 279 117.992 114.090 3.902 1 1 617 . 4 1 1 A 67 67 GLU H H 280 8.403 8.288 0.115 1 1 618 . 4 1 1 A 67 67 GLU HA H 280 4.631 4.407 0.224 1 1 621 . 4 1 1 A 67 67 GLU C C 280 174.640 174.727 -0.087 1 1 622 . 4 1 1 A 67 67 GLU CA C 280 55.467 56.269 -0.802 1 1 623 . 4 1 1 A 67 67 GLU CB C 280 30.671 30.860 -0.189 1 1 625 . 4 1 1 A 67 67 GLU N N 280 120.980 119.226 1.754 1 1 626 . 4 1 1 A 68 68 ILE H H 281 8.988 8.735 0.253 1 1 627 . 4 1 1 A 68 68 ILE HA H 281 4.491 4.487 0.004 1 1 636 . 4 1 1 A 68 68 ILE C C 281 176.177 174.207 1.970 1 1 637 . 4 1 1 A 68 68 ILE CA C 281 59.688 60.375 -0.687 1 1 638 . 4 1 1 A 68 68 ILE CB C 281 35.090 40.217 -5.127 1 1 642 . 4 1 1 A 68 68 ILE N N 281 127.994 126.728 1.266 1 1 643 . 4 1 1 A 69 69 LYS H H 282 8.559 8.934 -0.375 1 1 644 . 4 1 1 A 69 69 LYS HA H 282 4.981 4.937 0.044 1 1 645 . 4 1 1 A 69 69 LYS CA C 282 50.465 52.628 -2.163 1 1 646 . 4 1 1 A 69 69 LYS CB C 282 32.762 33.662 -0.900 1 1 649 . 4 1 1 A 69 69 LYS N N 282 126.350 129.699 -3.349 1 1 650 . 4 1 1 A 70 70 PRO HA H 283 5.133 4.612 0.521 1 1 651 . 4 1 1 A 70 70 PRO C C 283 176.378 177.111 -0.733 1 1 652 . 4 1 1 A 70 70 PRO CA C 283 62.027 62.925 -0.898 1 1 653 . 4 1 1 A 70 70 PRO CB C 283 32.856 31.703 1.153 1 1 655 . 4 1 1 A 71 71 HIS H H 284 8.967 8.681 0.286 1 1 656 . 4 1 1 A 71 71 HIS HA H 284 4.465 4.706 -0.241 1 1 660 . 4 1 1 A 71 71 HIS C C 284 172.714 175.563 -2.849 1 1 661 . 4 1 1 A 71 71 HIS CA C 284 55.994 56.782 -0.788 1 1 662 . 4 1 1 A 71 71 HIS CB C 284 33.678 30.665 3.013 1 1 664 . 4 1 1 A 71 71 HIS N N 284 121.708 122.233 -0.525 1 1 665 . 4 1 1 A 72 72 ASP H H 285 8.625 8.427 0.198 1 1 666 . 4 1 1 A 72 72 ASP HA H 285 5.695 4.568 1.127 1 1 669 . 4 1 1 A 72 72 ASP C C 285 175.881 175.372 0.509 1 1 670 . 4 1 1 A 72 72 ASP CA C 285 53.201 52.545 0.656 1 1 671 . 4 1 1 A 72 72 ASP CB C 285 43.758 41.384 2.374 1 1 672 . 4 1 1 A 72 72 ASP N N 285 122.941 120.670 2.271 1 1 673 . 4 1 1 A 73 73 ASP H H 286 9.212 8.538 0.674 1 1 674 . 4 1 1 A 73 73 ASP HA H 286 4.263 4.707 -0.444 1 1 676 . 4 1 1 A 73 73 ASP C C 286 174.368 176.062 -1.694 1 1 677 . 4 1 1 A 73 73 ASP CA C 286 56.488 54.754 1.734 1 1 678 . 4 1 1 A 73 73 ASP CB C 286 39.083 40.654 -1.571 1 1 679 . 4 1 1 A 73 73 ASP N N 286 119.175 118.641 0.534 1 1 680 . 4 1 1 A 74 74 CYS H H 287 8.750 8.938 -0.188 1 1 681 . 4 1 1 A 74 74 CYS HA H 287 4.854 5.275 -0.421 1 1 684 . 4 1 1 A 74 74 CYS C C 287 176.146 174.588 1.558 1 1 685 . 4 1 1 A 74 74 CYS CA C 287 58.552 57.719 0.833 1 1 686 . 4 1 1 A 74 74 CYS CB C 287 53.204 29.732 23.472 1 1 687 . 4 1 1 A 74 74 CYS N N 287 119.631 123.915 -4.284 1 1 688 . 4 1 1 A 75 75 THR H H 288 8.535 8.751 -0.216 1 1 689 . 4 1 1 A 75 75 THR HA H 288 4.163 4.517 -0.354 1 1 694 . 4 1 1 A 75 75 THR C C 288 174.663 175.521 -0.858 1 1 695 . 4 1 1 A 75 75 THR CA C 288 61.353 61.515 -0.162 1 1 696 . 4 1 1 A 75 75 THR CB C 288 70.100 70.930 -0.830 1 1 698 . 4 1 1 A 75 75 THR N N 288 115.998 118.797 -2.799 1 1 699 . 4 1 1 A 76 76 VAL H H 289 8.083 8.749 -0.666 1 1 700 . 4 1 1 A 76 76 VAL HA H 289 3.414 3.891 -0.477 1 1 708 . 4 1 1 A 76 76 VAL C C 289 176.443 177.026 -0.583 1 1 709 . 4 1 1 A 76 76 VAL CA C 289 69.066 65.290 3.776 1 1 710 . 4 1 1 A 76 76 VAL CB C 289 30.361 31.476 -1.115 1 1 713 . 4 1 1 A 76 76 VAL N N 289 120.599 122.110 -1.511 1 1 714 . 4 1 1 A 77 77 GLU H H 290 9.095 8.167 0.928 1 1 715 . 4 1 1 A 77 77 GLU HA H 290 4.027 3.861 0.166 1 1 720 . 4 1 1 A 77 77 GLU C C 290 179.172 178.977 0.195 1 1 721 . 4 1 1 A 77 77 GLU CA C 290 59.831 59.063 0.768 1 1 722 . 4 1 1 A 77 77 GLU CB C 290 29.493 29.248 0.245 1 1 724 . 4 1 1 A 77 77 GLU N N 290 119.191 121.021 -1.830 1 1 725 . 4 1 1 A 78 78 GLN H H 291 7.523 7.796 -0.273 1 1 726 . 4 1 1 A 78 78 GLN HA H 291 4.079 4.132 -0.053 1 1 731 . 4 1 1 A 78 78 GLN C C 291 177.815 178.704 -0.889 1 1 732 . 4 1 1 A 78 78 GLN CA C 291 58.920 58.330 0.590 1 1 734 . 4 1 1 A 78 78 GLN N N 291 117.101 118.845 -1.744 1 1 735 . 4 1 1 A 79 79 ILE H H 292 8.368 7.929 0.439 1 1 736 . 4 1 1 A 79 79 ILE HA H 292 3.427 3.689 -0.262 1 1 746 . 4 1 1 A 79 79 ILE C C 292 177.133 178.015 -0.882 1 1 747 . 4 1 1 A 79 79 ILE CA C 292 67.132 65.406 1.726 1 1 748 . 4 1 1 A 79 79 ILE CB C 292 37.163 37.801 -0.638 1 1 752 . 4 1 1 A 79 79 ILE N N 292 120.006 120.241 -0.235 1 1 753 . 4 1 1 A 80 80 TYR H H 293 8.302 8.359 -0.057 1 1 754 . 4 1 1 A 80 80 TYR HA H 293 4.179 4.365 -0.186 1 1 759 . 4 1 1 A 80 80 TYR C C 293 178.907 177.960 0.947 1 1 760 . 4 1 1 A 80 80 TYR CA C 293 61.737 60.483 1.254 1 1 761 . 4 1 1 A 80 80 TYR CB C 293 37.201 38.041 -0.840 1 1 764 . 4 1 1 A 80 80 TYR N N 293 116.291 120.318 -4.027 1 1 765 . 4 1 1 A 81 81 GLU H H 294 8.170 8.276 -0.106 1 1 766 . 4 1 1 A 81 81 GLU HA H 294 4.036 4.254 -0.218 1 1 771 . 4 1 1 A 81 81 GLU C C 294 178.414 177.316 1.098 1 1 772 . 4 1 1 A 81 81 GLU CA C 294 59.768 57.947 1.821 1 1 773 . 4 1 1 A 81 81 GLU CB C 294 29.489 29.662 -0.173 1 1 775 . 4 1 1 A 81 81 GLU N N 294 120.325 119.111 1.214 1 1 776 . 4 1 1 A 82 82 ILE H H 295 8.501 7.778 0.723 1 1 777 . 4 1 1 A 82 82 ILE HA H 295 3.675 4.006 -0.331 1 1 787 . 4 1 1 A 82 82 ILE C C 295 177.751 178.270 -0.519 1 1 788 . 4 1 1 A 82 82 ILE CA C 295 65.288 63.450 1.838 1 1 789 . 4 1 1 A 82 82 ILE CB C 295 38.497 37.946 0.551 1 1 793 . 4 1 1 A 82 82 ILE N N 295 120.434 118.673 1.761 1 1 794 . 4 1 1 A 83 83 LEU H H 296 8.508 7.863 0.645 1 1 795 . 4 1 1 A 83 83 LEU HA H 296 4.289 3.570 0.719 1 1 805 . 4 1 1 A 83 83 LEU C C 296 178.393 179.455 -1.062 1 1 806 . 4 1 1 A 83 83 LEU CA C 296 58.937 57.292 1.645 1 1 807 . 4 1 1 A 83 83 LEU CB C 296 39.626 41.313 -1.687 1 1 811 . 4 1 1 A 83 83 LEU N N 296 116.807 121.299 -4.492 1 1 812 . 4 1 1 A 84 84 LYS H H 297 8.048 8.249 -0.201 1 1 813 . 4 1 1 A 84 84 LYS HA H 297 3.967 4.089 -0.122 1 1 820 . 4 1 1 A 84 84 LYS C C 297 177.773 178.402 -0.629 1 1 821 . 4 1 1 A 84 84 LYS CA C 297 58.890 58.989 -0.099 1 1 822 . 4 1 1 A 84 84 LYS CB C 297 31.169 31.763 -0.594 1 1 826 . 4 1 1 A 84 84 LYS N N 297 118.687 118.556 0.131 1 1 827 . 4 1 1 A 85 85 ILE H H 298 7.694 8.029 -0.335 1 1 828 . 4 1 1 A 85 85 ILE HA H 298 3.456 3.751 -0.295 1 1 838 . 4 1 1 A 85 85 ILE C C 298 179.100 178.049 1.051 1 1 839 . 4 1 1 A 85 85 ILE CA C 298 65.307 64.278 1.029 1 1 840 . 4 1 1 A 85 85 ILE CB C 298 36.965 36.758 0.207 1 1 844 . 4 1 1 A 85 85 ILE N N 298 118.157 120.887 -2.730 1 1 845 . 4 1 1 A 86 86 TYR H H 299 7.613 8.227 -0.614 1 1 846 . 4 1 1 A 86 86 TYR HA H 299 4.103 4.438 -0.335 1 1 851 . 4 1 1 A 86 86 TYR C C 299 177.425 178.161 -0.736 1 1 852 . 4 1 1 A 86 86 TYR CA C 299 63.129 60.577 2.552 1 1 853 . 4 1 1 A 86 86 TYR CB C 299 38.745 37.746 0.999 1 1 856 . 4 1 1 A 86 86 TYR N N 299 115.499 120.407 -4.908 1 1 857 . 4 1 1 A 87 87 GLN H H 300 9.112 8.153 0.959 1 1 858 . 4 1 1 A 87 87 GLN HA H 300 3.977 4.161 -0.184 1 1 861 . 4 1 1 A 87 87 GLN C C 300 176.380 178.371 -1.991 1 1 862 . 4 1 1 A 87 87 GLN CA C 300 58.976 58.361 0.615 1 1 863 . 4 1 1 A 87 87 GLN CB C 300 28.819 28.555 0.264 1 1 865 . 4 1 1 A 87 87 GLN N N 300 125.039 120.663 4.376 1 1 866 . 4 1 1 A 88 88 LEU H H 301 7.536 7.832 -0.296 1 1 867 . 4 1 1 A 88 88 LEU HA H 301 4.309 4.100 0.209 1 1 877 . 4 1 1 A 88 88 LEU C C 301 177.129 179.955 -2.826 1 1 878 . 4 1 1 A 88 88 LEU CA C 301 55.142 57.861 -2.719 1 1 879 . 4 1 1 A 88 88 LEU CB C 301 41.809 40.919 0.890 1 1 883 . 4 1 1 A 88 88 LEU N N 301 115.623 119.355 -3.732 1 1 884 . 4 1 1 A 89 89 MET H H 302 7.025 8.082 -1.057 1 1 885 . 4 1 1 A 89 89 MET HA H 302 4.031 4.167 -0.136 1 1 893 . 4 1 1 A 89 89 MET C C 302 172.664 176.135 -3.471 1 1 894 . 4 1 1 A 89 89 MET CA C 302 55.513 59.182 -3.669 1 1 895 . 4 1 1 A 89 89 MET CB C 302 33.748 32.606 1.142 1 1 898 . 4 1 1 A 89 89 MET N N 302 120.789 118.686 2.103 1 1 899 . 4 1 1 A 90 90 ASP H H 303 8.056 8.155 -0.099 1 1 900 . 4 1 1 A 90 90 ASP HA H 303 4.746 4.180 0.566 1 1 903 . 4 1 1 A 90 90 ASP C C 303 177.139 175.957 1.182 1 1 904 . 4 1 1 A 90 90 ASP CA C 303 54.411 55.197 -0.786 1 1 905 . 4 1 1 A 90 90 ASP CB C 303 40.987 40.095 0.892 1 1 906 . 4 1 1 A 90 90 ASP N N 303 117.873 119.179 -1.306 1 1 907 . 4 1 1 A 91 91 HIS H H 304 9.371 7.836 1.535 1 1 908 . 4 1 1 A 91 91 HIS HA H 304 4.657 4.471 0.186 1 1 912 . 4 1 1 A 91 91 HIS C C 304 177.332 176.031 1.301 1 1 913 . 4 1 1 A 91 91 HIS CA C 304 56.031 56.105 -0.074 1 1 914 . 4 1 1 A 91 91 HIS CB C 304 31.150 29.842 1.308 1 1 916 . 4 1 1 A 91 91 HIS N N 304 126.666 116.980 9.686 1 1 917 . 4 1 1 A 92 92 SER H H 305 8.952 8.964 -0.012 1 1 918 . 4 1 1 A 92 92 SER HA H 305 4.055 4.355 -0.300 1 1 921 . 4 1 1 A 92 92 SER CA C 305 63.687 59.588 4.099 1 1 922 . 4 1 1 A 92 92 SER CB C 305 62.694 63.391 -0.697 1 1 923 . 4 1 1 A 92 92 SER N N 305 118.610 116.337 2.273 1 1 924 . 4 1 1 A 93 93 ASN H H 306 8.745 8.232 0.513 1 1 925 . 4 1 1 A 93 93 ASN HA H 306 4.803 4.786 0.017 1 1 928 . 4 1 1 A 93 93 ASN C C 306 173.428 175.804 -2.376 1 1 929 . 4 1 1 A 93 93 ASN CA C 306 53.018 54.811 -1.793 1 1 930 . 4 1 1 A 93 93 ASN CB C 306 38.033 39.940 -1.907 1 1 931 . 4 1 1 A 93 93 ASN N N 306 116.257 118.098 -1.841 1 1 932 . 4 1 1 A 94 94 MET H H 307 7.942 8.015 -0.073 1 1 933 . 4 1 1 A 94 94 MET HA H 307 4.683 4.539 0.144 1 1 939 . 4 1 1 A 94 94 MET C C 307 174.640 175.549 -0.909 1 1 940 . 4 1 1 A 94 94 MET CA C 307 53.564 54.965 -1.401 1 1 941 . 4 1 1 A 94 94 MET CB C 307 33.988 33.725 0.263 1 1 944 . 4 1 1 A 94 94 MET N N 307 117.799 118.119 -0.320 1 1 945 . 4 1 1 A 95 95 ASP H H 308 8.276 9.155 -0.879 1 1 946 . 4 1 1 A 95 95 ASP HA H 308 5.172 5.116 0.056 1 1 949 . 4 1 1 A 95 95 ASP C C 308 176.264 175.533 0.731 1 1 950 . 4 1 1 A 95 95 ASP CA C 308 55.617 55.111 0.506 1 1 951 . 4 1 1 A 95 95 ASP CB C 308 45.114 43.310 1.804 1 1 952 . 4 1 1 A 95 95 ASP N N 308 119.567 119.426 0.141 1 1 953 . 4 1 1 A 96 96 CYS H H 309 8.215 7.708 0.507 1 1 954 . 4 1 1 A 96 96 CYS HA H 309 4.680 4.640 0.040 1 1 957 . 4 1 1 A 96 96 CYS C C 309 170.157 172.764 -2.607 1 1 958 . 4 1 1 A 96 96 CYS CA C 309 57.203 56.960 0.243 1 1 959 . 4 1 1 A 96 96 CYS CB C 309 52.974 30.285 22.689 1 1 960 . 4 1 1 A 96 96 CYS N N 309 118.264 113.612 4.652 1 1 961 . 4 1 1 A 97 97 PHE H H 310 8.108 8.563 -0.455 1 1 962 . 4 1 1 A 97 97 PHE HA H 310 5.071 5.227 -0.156 1 1 967 . 4 1 1 A 97 97 PHE C C 310 171.279 172.764 -1.485 1 1 968 . 4 1 1 A 97 97 PHE CA C 310 57.910 56.396 1.514 1 1 969 . 4 1 1 A 97 97 PHE CB C 310 44.724 40.796 3.928 1 1 972 . 4 1 1 A 97 97 PHE N N 310 125.767 116.884 8.883 1 1 973 . 4 1 1 A 98 98 ILE H H 311 7.647 8.533 -0.886 1 1 974 . 4 1 1 A 98 98 ILE HA H 311 4.581 4.921 -0.340 1 1 984 . 4 1 1 A 98 98 ILE C C 311 172.012 174.643 -2.631 1 1 985 . 4 1 1 A 98 98 ILE CA C 311 58.312 60.267 -1.955 1 1 986 . 4 1 1 A 98 98 ILE CB C 311 39.964 41.873 -1.909 1 1 990 . 4 1 1 A 98 98 ILE N N 311 125.102 119.330 5.772 1 1 991 . 4 1 1 A 99 99 CYS H H 312 8.309 9.406 -1.097 1 1 992 . 4 1 1 A 99 99 CYS HA H 312 4.471 5.451 -0.980 1 1 993 . 4 1 1 A 99 99 CYS C C 312 171.965 173.069 -1.104 1 1 994 . 4 1 1 A 99 99 CYS CA C 312 56.347 57.487 -1.140 1 1 995 . 4 1 1 A 99 99 CYS CB C 312 51.093 29.229 21.864 1 1 996 . 4 1 1 A 99 99 CYS N N 312 124.548 124.755 -0.207 1 1 997 . 4 1 1 A 100 100 CYS H H 313 9.116 9.512 -0.396 1 1 998 . 4 1 1 A 100 100 CYS HA H 313 5.880 4.874 1.006 1 1 1001 . 4 1 1 A 100 100 CYS C C 313 173.635 173.673 -0.038 1 1 1002 . 4 1 1 A 100 100 CYS CA C 313 55.906 58.089 -2.183 1 1 1003 . 4 1 1 A 100 100 CYS CB C 313 52.685 27.033 25.652 1 1 1004 . 4 1 1 A 100 100 CYS N N 313 127.015 126.266 0.749 1 1 1005 . 4 1 1 A 101 101 ILE H H 314 8.896 8.886 0.010 1 1 1006 . 4 1 1 A 101 101 ILE HA H 314 4.737 4.304 0.433 1 1 1016 . 4 1 1 A 101 101 ILE C C 314 172.277 175.918 -3.641 1 1 1017 . 4 1 1 A 101 101 ILE CA C 314 60.937 61.379 -0.442 1 1 1018 . 4 1 1 A 101 101 ILE CB C 314 40.848 36.982 3.866 1 1 1022 . 4 1 1 A 101 101 ILE N N 314 121.994 127.914 -5.920 1 1 1023 . 4 1 1 A 102 102 LEU H H 315 8.951 8.581 0.370 1 1 1024 . 4 1 1 A 102 102 LEU HA H 315 5.285 4.683 0.602 1 1 1029 . 4 1 1 A 102 102 LEU C C 315 174.789 177.350 -2.561 1 1 1030 . 4 1 1 A 102 102 LEU CA C 315 52.489 54.361 -1.872 1 1 1031 . 4 1 1 A 102 102 LEU CB C 315 40.041 42.960 -2.919 1 1 1034 . 4 1 1 A 102 102 LEU N N 315 127.404 128.390 -0.986 1 1 1035 . 4 1 1 A 103 103 SER H H 316 9.096 8.154 0.942 1 1 1036 . 4 1 1 A 103 103 SER HA H 316 4.680 4.254 0.426 1 1 1039 . 4 1 1 A 103 103 SER C C 316 174.555 174.375 0.180 1 1 1040 . 4 1 1 A 103 103 SER CA C 316 56.403 61.410 -5.007 1 1 1041 . 4 1 1 A 103 103 SER CB C 316 63.224 63.246 -0.022 1 1 1042 . 4 1 1 A 103 103 SER N N 316 113.273 115.866 -2.593 1 1 1043 . 4 1 1 A 104 104 HIS H H 317 7.515 7.692 -0.177 1 1 1044 . 4 1 1 A 104 104 HIS HA H 317 5.214 4.860 0.354 1 1 1048 . 4 1 1 A 104 104 HIS C C 317 175.667 175.790 -0.123 1 1 1049 . 4 1 1 A 104 104 HIS CA C 317 56.371 54.854 1.517 1 1 1050 . 4 1 1 A 104 104 HIS CB C 317 34.676 30.008 4.668 1 1 1052 . 4 1 1 A 104 104 HIS N N 317 114.740 115.954 -1.214 1 1 1053 . 4 1 1 A 105 105 GLY H H 318 8.368 8.777 -0.409 1 1 1054 . 4 1 1 A 105 105 GLY C C 318 169.470 174.141 -4.671 1 1 1055 . 4 1 1 A 105 105 GLY CA C 318 45.558 47.835 -2.277 1 1 1056 . 4 1 1 A 105 105 GLY N N 318 107.330 109.918 -2.588 1 1 1057 . 4 1 1 A 106 106 ASP H H 319 7.943 7.913 0.030 1 1 1058 . 4 1 1 A 106 106 ASP HA H 319 4.622 5.046 -0.424 1 1 1061 . 4 1 1 A 106 106 ASP C C 319 175.179 174.945 0.234 1 1 1062 . 4 1 1 A 106 106 ASP CA C 319 53.188 52.995 0.193 1 1 1063 . 4 1 1 A 106 106 ASP CB C 319 43.555 44.584 -1.029 1 1 1064 . 4 1 1 A 106 106 ASP N N 319 116.893 117.643 -0.750 1 1 1065 . 4 1 1 A 107 107 LYS H H 320 9.376 8.807 0.569 1 1 1066 . 4 1 1 A 107 107 LYS HA H 320 3.956 4.590 -0.634 1 1 1075 . 4 1 1 A 107 107 LYS C C 320 176.864 178.156 -1.292 1 1 1076 . 4 1 1 A 107 107 LYS CA C 320 58.567 56.413 2.154 1 1 1077 . 4 1 1 A 107 107 LYS CB C 320 30.568 34.000 -3.432 1 1 1081 . 4 1 1 A 107 107 LYS N N 320 122.539 120.835 1.704 1 1 1082 . 4 1 1 A 108 108 GLY H H 321 9.025 8.031 0.994 1 1 1083 . 4 1 1 A 108 108 GLY C C 321 173.633 174.351 -0.718 1 1 1084 . 4 1 1 A 108 108 GLY CA C 321 45.491 45.219 0.272 1 1 1085 . 4 1 1 A 108 108 GLY N N 321 111.919 107.277 4.642 1 1 1086 . 4 1 1 A 109 109 ILE H H 322 8.157 7.544 0.613 1 1 1087 . 4 1 1 A 109 109 ILE HA H 322 4.994 4.243 0.751 1 1 1097 . 4 1 1 A 109 109 ILE C C 322 174.524 175.574 -1.050 1 1 1098 . 4 1 1 A 109 109 ILE CA C 322 59.009 60.810 -1.801 1 1 1099 . 4 1 1 A 109 109 ILE CB C 322 43.375 39.406 3.969 1 1 1103 . 4 1 1 A 109 109 ILE N N 322 116.465 118.358 -1.893 1 1 1104 . 4 1 1 A 110 110 ILE H H 323 8.443 8.526 -0.083 1 1 1105 . 4 1 1 A 110 110 ILE HA H 323 4.530 4.559 -0.029 1 1 1115 . 4 1 1 A 110 110 ILE C C 323 174.337 176.088 -1.751 1 1 1116 . 4 1 1 A 110 110 ILE CA C 323 58.547 60.281 -1.734 1 1 1117 . 4 1 1 A 110 110 ILE CB C 323 41.604 39.189 2.415 1 1 1121 . 4 1 1 A 110 110 ILE N N 323 116.661 123.198 -6.537 1 1 1122 . 4 1 1 A 111 111 TYR H H 324 8.584 8.843 -0.259 1 1 1123 . 4 1 1 A 111 111 TYR HA H 324 5.557 4.638 0.919 1 1 1128 . 4 1 1 A 111 111 TYR C C 324 178.528 175.248 3.280 1 1 1129 . 4 1 1 A 111 111 TYR CA C 324 56.571 57.865 -1.294 1 1 1130 . 4 1 1 A 111 111 TYR CB C 324 39.984 39.478 0.506 1 1 1133 . 4 1 1 A 111 111 TYR N N 324 119.472 125.659 -6.187 1 1 1134 . 4 1 1 A 112 112 GLY H H 325 8.522 8.529 -0.007 1 1 1135 . 4 1 1 A 112 112 GLY C C 325 174.755 173.205 1.550 1 1 1136 . 4 1 1 A 112 112 GLY CA C 325 43.145 46.127 -2.982 1 1 1137 . 4 1 1 A 112 112 GLY N N 325 107.078 107.594 -0.516 1 1 1138 . 4 1 1 A 113 113 THR H H 326 8.245 8.431 -0.186 1 1 1139 . 4 1 1 A 113 113 THR HA H 326 3.186 4.694 -1.508 1 1 1144 . 4 1 1 A 113 113 THR C C 326 173.264 175.679 -2.415 1 1 1145 . 4 1 1 A 113 113 THR CA C 326 64.857 63.309 1.548 1 1 1146 . 4 1 1 A 113 113 THR CB C 326 66.749 70.912 -4.163 1 1 1148 . 4 1 1 A 113 113 THR N N 326 113.146 119.013 -5.867 1 1 1149 . 4 1 1 A 114 114 ASP H H 327 8.801 8.264 0.537 1 1 1150 . 4 1 1 A 114 114 ASP HA H 327 4.099 4.409 -0.310 1 1 1153 . 4 1 1 A 114 114 ASP C C 327 176.262 178.177 -1.915 1 1 1154 . 4 1 1 A 114 114 ASP CA C 327 52.768 56.762 -3.994 1 1 1155 . 4 1 1 A 114 114 ASP CB C 327 39.312 41.435 -2.123 1 1 1156 . 4 1 1 A 114 114 ASP N N 327 112.026 121.593 -9.567 1 1 1157 . 4 1 1 A 115 115 GLY H H 328 8.462 7.914 0.548 1 1 1158 . 4 1 1 A 115 115 GLY HA2 H 328 4.010 3.871 0.139 1 1 1159 . 4 1 1 A 115 115 GLY HA3 H 328 4.010 3.899 0.111 1 1 1160 . 4 1 1 A 115 115 GLY C C 328 171.918 173.865 -1.947 1 1 1161 . 4 1 1 A 115 115 GLY CA C 328 45.463 46.502 -1.039 1 1 1162 . 4 1 1 A 115 115 GLY N N 328 107.749 107.405 0.344 1 1 1163 . 4 1 1 A 116 116 GLN H H 329 6.657 8.149 -1.492 1 1 1164 . 4 1 1 A 116 116 GLN HA H 329 4.441 4.464 -0.023 1 1 1170 . 4 1 1 A 116 116 GLN C C 329 174.196 175.432 -1.236 1 1 1171 . 4 1 1 A 116 116 GLN CA C 329 55.204 56.173 -0.969 1 1 1172 . 4 1 1 A 116 116 GLN CB C 329 28.541 30.240 -1.699 1 1 1174 . 4 1 1 A 116 116 GLN N N 329 115.146 118.911 -3.765 1 1 1176 . 4 1 1 A 117 117 GLU H H 330 8.624 9.052 -0.428 1 1 1177 . 4 1 1 A 117 117 GLU HA H 330 4.733 5.342 -0.609 1 1 1178 . 4 1 1 A 117 117 GLU C C 330 175.357 174.659 0.698 1 1 1179 . 4 1 1 A 117 117 GLU CA C 330 55.191 54.124 1.067 1 1 1180 . 4 1 1 A 117 117 GLU CB C 330 32.586 34.273 -1.687 1 1 1182 . 4 1 1 A 117 117 GLU N N 330 119.031 117.759 1.272 1 1 1183 . 4 1 1 A 118 118 ALA H H 331 8.995 8.423 0.572 1 1 1184 . 4 1 1 A 118 118 ALA HA H 331 5.165 4.714 0.451 1 1 1188 . 4 1 1 A 118 118 ALA C C 331 173.650 174.152 -0.502 1 1 1189 . 4 1 1 A 118 118 ALA CA C 331 48.343 50.396 -2.053 1 1 1190 . 4 1 1 A 118 118 ALA CB C 331 20.353 22.269 -1.916 1 1 1191 . 4 1 1 A 118 118 ALA N N 331 123.550 121.813 1.737 1 1 1192 . 4 1 1 A 119 119 PRO HA H 332 4.819 4.734 0.085 1 1 1193 . 4 1 1 A 119 119 PRO C C 332 177.819 177.300 0.519 1 1 1194 . 4 1 1 A 119 119 PRO CA C 332 62.007 62.219 -0.212 1 1 1195 . 4 1 1 A 119 119 PRO CB C 332 32.081 29.643 2.438 1 1 1197 . 4 1 1 A 120 120 ILE H H 333 8.574 8.453 0.121 1 1 1198 . 4 1 1 A 120 120 ILE HA H 333 3.278 3.827 -0.549 1 1 1206 . 4 1 1 A 120 120 ILE C C 333 177.316 177.162 0.154 1 1 1207 . 4 1 1 A 120 120 ILE CA C 333 66.025 63.738 2.287 1 1 1208 . 4 1 1 A 120 120 ILE CB C 333 37.991 38.094 -0.103 1 1 1212 . 4 1 1 A 120 120 ILE N N 333 126.740 126.043 0.697 1 1 1213 . 4 1 1 A 121 121 TYR H H 334 9.192 7.919 1.273 1 1 1214 . 4 1 1 A 121 121 TYR HA H 334 3.942 4.131 -0.189 1 1 1219 . 4 1 1 A 121 121 TYR C C 334 177.847 178.330 -0.483 1 1 1220 . 4 1 1 A 121 121 TYR CA C 334 60.688 60.673 0.015 1 1 1221 . 4 1 1 A 121 121 TYR CB C 334 38.803 37.706 1.097 1 1 1224 . 4 1 1 A 121 121 TYR N N 334 117.479 121.131 -3.652 1 1 1225 . 4 1 1 A 122 122 GLU H H 335 7.178 8.119 -0.941 1 1 1226 . 4 1 1 A 122 122 GLU HA H 335 3.751 4.222 -0.471 1 1 1228 . 4 1 1 A 122 122 GLU C C 335 176.427 179.029 -2.602 1 1 1229 . 4 1 1 A 122 122 GLU CA C 335 58.378 58.863 -0.485 1 1 1230 . 4 1 1 A 122 122 GLU CB C 335 29.477 29.728 -0.251 1 1 1232 . 4 1 1 A 122 122 GLU N N 335 115.885 120.403 -4.518 1 1 1233 . 4 1 1 A 123 123 LEU H H 336 7.440 8.135 -0.695 1 1 1234 . 4 1 1 A 123 123 LEU HA H 336 4.123 3.887 0.236 1 1 1244 . 4 1 1 A 123 123 LEU C C 336 177.925 179.382 -1.457 1 1 1245 . 4 1 1 A 123 123 LEU CA C 336 56.646 57.778 -1.132 1 1 1246 . 4 1 1 A 123 123 LEU CB C 336 40.661 41.740 -1.079 1 1 1250 . 4 1 1 A 123 123 LEU N N 336 115.934 120.503 -4.569 1 1 1251 . 4 1 1 A 124 124 THR H H 337 8.009 8.103 -0.094 1 1 1252 . 4 1 1 A 124 124 THR HA H 337 3.597 4.074 -0.477 1 1 1257 . 4 1 1 A 124 124 THR C C 337 177.568 177.119 0.449 1 1 1258 . 4 1 1 A 124 124 THR CA C 337 64.110 64.862 -0.752 1 1 1259 . 4 1 1 A 124 124 THR CB C 337 67.603 68.512 -0.909 1 1 1261 . 4 1 1 A 124 124 THR N N 337 107.827 109.553 -1.726 1 1 1262 . 4 1 1 A 125 125 SER H H 338 7.435 7.838 -0.403 1 1 1263 . 4 1 1 A 125 125 SER HA H 338 3.723 4.159 -0.436 1 1 1266 . 4 1 1 A 125 125 SER C C 338 174.040 176.788 -2.748 1 1 1267 . 4 1 1 A 125 125 SER CA C 338 60.514 61.889 -1.375 1 1 1268 . 4 1 1 A 125 125 SER CB C 338 62.391 63.019 -0.628 1 1 1269 . 4 1 1 A 125 125 SER N N 338 112.670 117.645 -4.975 1 1 1270 . 4 1 1 A 126 126 GLN H H 339 7.071 8.277 -1.206 1 1 1271 . 4 1 1 A 126 126 GLN HA H 339 3.850 4.227 -0.377 1 1 1276 . 4 1 1 A 126 126 GLN C C 339 173.915 176.475 -2.560 1 1 1277 . 4 1 1 A 126 126 GLN CA C 339 56.106 57.511 -1.405 1 1 1278 . 4 1 1 A 126 126 GLN CB C 339 27.028 27.334 -0.306 1 1 1280 . 4 1 1 A 126 126 GLN N N 339 117.347 118.607 -1.260 1 1 1281 . 4 1 1 A 127 127 PHE H H 340 7.355 7.758 -0.403 1 1 1282 . 4 1 1 A 127 127 PHE HA H 340 4.515 4.509 0.006 1 1 1285 . 4 1 1 A 127 127 PHE C C 340 175.241 175.824 -0.583 1 1 1286 . 4 1 1 A 127 127 PHE CA C 340 57.914 59.128 -1.214 1 1 1287 . 4 1 1 A 127 127 PHE CB C 340 38.496 38.615 -0.119 1 1 1288 . 4 1 1 A 127 127 PHE N N 340 110.412 120.015 -9.603 1 1 1289 . 4 1 1 A 128 128 THR H H 341 6.785 7.213 -0.428 1 1 1290 . 4 1 1 A 128 128 THR HA H 341 4.294 4.239 0.055 1 1 1295 . 4 1 1 A 128 128 THR C C 341 174.727 176.380 -1.653 1 1 1296 . 4 1 1 A 128 128 THR CA C 341 62.016 63.503 -1.487 1 1 1297 . 4 1 1 A 128 128 THR CB C 341 69.757 69.312 0.445 1 1 1299 . 4 1 1 A 128 128 THR N N 341 107.455 114.282 -6.827 1 1 1300 . 4 1 1 A 129 129 GLY H H 342 10.506 8.760 1.746 1 1 1301 . 4 1 1 A 129 129 GLY HA2 H 342 3.841 3.754 0.087 1 1 1302 . 4 1 1 A 129 129 GLY HA3 H 342 3.648 3.803 -0.155 1 1 1303 . 4 1 1 A 129 129 GLY C C 342 175.631 174.592 1.039 1 1 1304 . 4 1 1 A 129 129 GLY CA C 342 47.056 46.632 0.424 1 1 1305 . 4 1 1 A 129 129 GLY N N 342 111.023 113.923 -2.900 1 1 1306 . 4 1 1 A 130 130 LEU H H 343 8.003 7.859 0.144 1 1 1307 . 4 1 1 A 130 130 LEU HA H 343 4.135 4.364 -0.229 1 1 1317 . 4 1 1 A 130 130 LEU C C 343 178.627 177.758 0.869 1 1 1318 . 4 1 1 A 130 130 LEU CA C 343 56.606 55.272 1.334 1 1 1319 . 4 1 1 A 130 130 LEU CB C 343 42.399 42.525 -0.126 1 1 1323 . 4 1 1 A 130 130 LEU N N 343 116.983 119.637 -2.654 1 1 1324 . 4 1 1 A 131 131 LYS H H 344 6.961 7.917 -0.956 1 1 1325 . 4 1 1 A 131 131 LYS HA H 344 4.001 4.438 -0.437 1 1 1333 . 4 1 1 A 131 131 LYS C C 344 176.224 176.327 -0.103 1 1 1334 . 4 1 1 A 131 131 LYS CA C 344 57.534 55.833 1.701 1 1 1335 . 4 1 1 A 131 131 LYS CB C 344 33.404 34.511 -1.107 1 1 1339 . 4 1 1 A 131 131 LYS N N 344 116.907 115.854 1.053 1 1 1340 . 4 1 1 A 132 132 CYS H H 345 8.564 8.139 0.425 1 1 1341 . 4 1 1 A 132 132 CYS HA H 345 4.930 4.800 0.130 1 1 1344 . 4 1 1 A 132 132 CYS C C 345 172.261 172.723 -0.462 1 1 1345 . 4 1 1 A 132 132 CYS CA C 345 56.566 56.784 -0.218 1 1 1346 . 4 1 1 A 132 132 CYS CB C 345 49.011 27.654 21.357 1 1 1347 . 4 1 1 A 132 132 CYS N N 345 117.718 118.028 -0.310 1 1 1348 . 4 1 1 A 133 133 PRO HA H 346 4.719 4.371 0.348 1 1 1354 . 4 1 1 A 133 133 PRO C C 346 179.500 176.384 3.116 1 1 1355 . 4 1 1 A 133 133 PRO CA C 346 62.681 64.005 -1.324 1 1 1356 . 4 1 1 A 133 133 PRO CB C 346 34.366 31.706 2.660 1 1 1359 . 4 1 1 A 134 134 SER H H 347 8.896 7.811 1.085 1 1 1360 . 4 1 1 A 134 134 SER HA H 347 4.415 4.594 -0.179 1 1 1363 . 4 1 1 A 134 134 SER C C 347 174.434 174.898 -0.464 1 1 1364 . 4 1 1 A 134 134 SER CA C 347 60.509 58.339 2.170 1 1 1365 . 4 1 1 A 134 134 SER CB C 347 62.207 61.588 0.619 1 1 1366 . 4 1 1 A 134 134 SER N N 347 112.882 114.919 -2.037 1 1 1367 . 4 1 1 A 135 135 LEU H H 348 7.549 8.643 -1.094 1 1 1368 . 4 1 1 A 135 135 LEU HA H 348 4.466 3.991 0.475 1 1 1378 . 4 1 1 A 135 135 LEU C C 348 176.458 176.817 -0.359 1 1 1379 . 4 1 1 A 135 135 LEU CA C 348 53.787 56.294 -2.507 1 1 1380 . 4 1 1 A 135 135 LEU CB C 348 44.189 39.453 4.736 1 1 1384 . 4 1 1 A 135 135 LEU N N 348 118.501 124.672 -6.171 1 1 1385 . 4 1 1 A 136 136 ALA H H 349 7.776 7.733 0.043 1 1 1386 . 4 1 1 A 136 136 ALA HA H 349 4.056 3.101 0.955 1 1 1390 . 4 1 1 A 136 136 ALA C C 349 178.620 180.076 -1.456 1 1 1391 . 4 1 1 A 136 136 ALA CA C 349 54.406 54.878 -0.472 1 1 1392 . 4 1 1 A 136 136 ALA CB C 349 17.934 18.095 -0.161 1 1 1393 . 4 1 1 A 136 136 ALA N N 349 125.801 121.103 4.698 1 1 1394 . 4 1 1 A 137 137 GLY H H 350 9.371 8.219 1.152 1 1 1395 . 4 1 1 A 137 137 GLY C C 350 173.026 174.369 -1.343 1 1 1396 . 4 1 1 A 137 137 GLY CA C 350 45.132 45.618 -0.486 1 1 1397 . 4 1 1 A 137 137 GLY N N 350 111.181 105.899 5.282 1 1 1398 . 4 1 1 A 138 138 LYS H H 351 8.038 7.129 0.909 1 1 1399 . 4 1 1 A 138 138 LYS HA H 351 4.660 4.543 0.117 1 1 1400 . 4 1 1 A 138 138 LYS C C 351 172.078 175.009 -2.931 1 1 1401 . 4 1 1 A 138 138 LYS CA C 351 52.728 54.468 -1.740 1 1 1402 . 4 1 1 A 138 138 LYS CB C 351 32.069 31.697 0.372 1 1 1404 . 4 1 1 A 138 138 LYS N N 351 119.821 120.382 -0.561 1 1 1405 . 4 1 1 A 139 139 PRO HA H 352 4.300 4.734 -0.434 1 1 1412 . 4 1 1 A 139 139 PRO C C 352 173.954 175.991 -2.037 1 1 1413 . 4 1 1 A 139 139 PRO CA C 352 62.595 62.417 0.178 1 1 1414 . 4 1 1 A 139 139 PRO CB C 352 31.399 32.833 -1.434 1 1 1417 . 4 1 1 A 140 140 LYS H H 353 8.188 8.478 -0.290 1 1 1418 . 4 1 1 A 140 140 LYS HA H 353 4.610 4.814 -0.204 1 1 1419 . 4 1 1 A 140 140 LYS C C 353 173.494 174.408 -0.914 1 1 1420 . 4 1 1 A 140 140 LYS CA C 353 55.344 54.380 0.964 1 1 1421 . 4 1 1 A 140 140 LYS CB C 353 32.527 36.444 -3.917 1 1 1423 . 4 1 1 A 140 140 LYS N N 353 123.304 116.947 6.357 1 1 1424 . 4 1 1 A 141 141 VAL H H 354 8.344 8.440 -0.096 1 1 1425 . 4 1 1 A 141 141 VAL HA H 354 4.533 4.756 -0.223 1 1 1433 . 4 1 1 A 141 141 VAL C C 354 172.277 174.209 -1.932 1 1 1434 . 4 1 1 A 141 141 VAL CA C 354 60.596 61.012 -0.416 1 1 1435 . 4 1 1 A 141 141 VAL CB C 354 33.580 34.464 -0.884 1 1 1438 . 4 1 1 A 141 141 VAL N N 354 122.550 121.042 1.508 1 1 1439 . 4 1 1 A 142 142 PHE H H 355 8.985 8.513 0.472 1 1 1440 . 4 1 1 A 142 142 PHE HA H 355 5.436 5.277 0.159 1 1 1441 . 4 1 1 A 142 142 PHE C C 355 173.666 173.819 -0.153 1 1 1442 . 4 1 1 A 142 142 PHE CA C 355 54.968 54.013 0.955 1 1 1443 . 4 1 1 A 142 142 PHE CB C 355 42.877 41.449 1.428 1 1 1444 . 4 1 1 A 142 142 PHE N N 355 123.850 128.067 -4.217 1 1 1445 . 4 1 1 A 143 143 PHE H H 356 8.584 8.911 -0.327 1 1 1446 . 4 1 1 A 143 143 PHE HA H 356 5.934 4.675 1.259 1 1 1449 . 4 1 1 A 143 143 PHE C C 356 174.526 175.284 -0.758 1 1 1450 . 4 1 1 A 143 143 PHE CA C 356 55.909 56.946 -1.037 1 1 1451 . 4 1 1 A 143 143 PHE CB C 356 39.923 38.577 1.346 1 1 1454 . 4 1 1 A 143 143 PHE N N 356 119.801 125.964 -6.163 1 1 1455 . 4 1 1 A 144 144 ILE H H 357 9.020 8.006 1.014 1 1 1456 . 4 1 1 A 144 144 ILE HA H 357 5.040 3.781 1.259 1 1 1466 . 4 1 1 A 144 144 ILE C C 357 173.323 175.747 -2.424 1 1 1467 . 4 1 1 A 144 144 ILE CA C 357 59.479 61.493 -2.014 1 1 1468 . 4 1 1 A 144 144 ILE CB C 357 40.898 38.640 2.258 1 1 1472 . 4 1 1 A 144 144 ILE N N 357 121.194 125.450 -4.256 1 1 1473 . 4 1 1 A 145 145 GLN H H 358 8.856 8.603 0.253 1 1 1474 . 4 1 1 A 145 145 GLN HA H 358 4.670 4.595 0.075 1 1 1475 . 4 1 1 A 145 145 GLN C C 358 171.591 176.853 -5.262 1 1 1476 . 4 1 1 A 145 145 GLN CA C 358 53.648 54.903 -1.255 1 1 1477 . 4 1 1 A 145 145 GLN CB C 358 30.373 29.159 1.214 1 1 1479 . 4 1 1 A 145 145 GLN N N 358 128.880 128.480 0.400 1 1 1480 . 4 1 1 A 146 146 ALA H H 359 8.418 8.106 0.312 1 1 1481 . 4 1 1 A 146 146 ALA HA H 359 5.247 4.486 0.761 1 1 1485 . 4 1 1 A 146 146 ALA C C 359 175.319 177.052 -1.733 1 1 1486 . 4 1 1 A 146 146 ALA CA C 359 50.243 51.585 -1.342 1 1 1487 . 4 1 1 A 146 146 ALA CB C 359 18.786 19.079 -0.293 1 1 1488 . 4 1 1 A 146 146 ALA N N 359 128.349 122.736 5.613 1 1 1489 . 4 1 1 A 147 147 ALA H H 360 8.161 7.310 0.851 1 1 1490 . 4 1 1 A 147 147 ALA HA H 360 4.343 4.113 0.230 1 1 1494 . 4 1 1 A 147 147 ALA C C 360 177.238 176.917 0.321 1 1 1495 . 4 1 1 A 147 147 ALA CA C 360 52.078 52.515 -0.437 1 1 1496 . 4 1 1 A 147 147 ALA CB C 360 20.003 19.375 0.628 1 1 1497 . 4 1 1 A 147 147 ALA N N 360 123.005 121.879 1.126 1 1 1498 . 4 1 1 A 148 148 GLN H H 361 8.461 8.297 0.164 1 1 1499 . 4 1 1 A 148 148 GLN HA H 361 4.663 4.554 0.109 1 1 1504 . 4 1 1 A 148 148 GLN C C 361 176.333 174.034 2.299 1 1 1505 . 4 1 1 A 148 148 GLN CA C 361 55.760 54.316 1.444 1 1 1506 . 4 1 1 A 148 148 GLN CB C 361 29.937 31.320 -1.383 1 1 1508 . 4 1 1 A 148 148 GLN N N 361 120.296 118.929 1.367 1 1 1509 . 4 1 1 A 149 149 GLY H H 362 8.631 8.370 0.261 1 1 1510 . 4 1 1 A 149 149 GLY HA2 H 362 3.858 3.280 0.578 1 1 1511 . 4 1 1 A 149 149 GLY HA3 H 362 3.858 3.943 -0.085 1 1 1512 . 4 1 1 A 149 149 GLY C C 362 172.022 173.542 -1.520 1 1 1513 . 4 1 1 A 149 149 GLY CA C 362 44.969 46.043 -1.074 1 1 1514 . 4 1 1 A 149 149 GLY N N 362 109.782 107.382 2.400 1 1 1515 . 4 1 1 A 150 150 ASP H H 363 7.566 8.047 -0.481 1 1 1516 . 4 1 1 A 150 150 ASP HA H 363 4.661 4.602 0.059 1 1 1519 . 4 1 1 A 150 150 ASP C C 363 174.446 177.216 -2.770 1 1 1520 . 4 1 1 A 150 150 ASP CA C 363 57.776 54.888 2.888 1 1 1521 . 4 1 1 A 150 150 ASP CB C 363 39.423 41.088 -1.665 1 1 1522 . 4 1 1 A 150 150 ASP N N 363 118.182 121.720 -3.538 1 1 1523 . 4 1 1 A 153 153 GLN HA H 366 4.665 4.364 0.301 1 1 1530 . 4 1 1 A 153 153 GLN CA C 366 53.779 55.321 -1.542 1 1 1531 . 4 1 1 A 153 153 GLN CB C 366 28.988 30.616 -1.628 1 1 1534 . 4 1 1 A 155 155 GLY HA2 H 368 3.899 3.893 0.006 1 1 1535 . 4 1 1 A 155 155 GLY HA3 H 368 3.899 3.908 -0.009 1 1 1536 . 4 1 1 A 155 155 GLY CA C 368 45.013 44.701 0.312 1 1 1537 . 4 1 1 A 156 156 ILE H H 369 7.871 8.348 -0.477 1 1 1538 . 4 1 1 A 156 156 ILE HA H 369 4.428 4.789 -0.361 1 1 1548 . 4 1 1 A 156 156 ILE C C 369 174.196 175.376 -1.180 1 1 1549 . 4 1 1 A 156 156 ILE CA C 369 58.676 57.330 1.346 1 1 1550 . 4 1 1 A 156 156 ILE CB C 369 38.516 40.355 -1.839 1 1 1554 . 4 1 1 A 156 156 ILE N N 369 120.958 116.583 4.375 1 1 1555 . 4 1 1 A 157 157 PRO HA H 370 4.386 4.633 -0.247 1 1 1562 . 4 1 1 A 157 157 PRO C C 370 176.218 176.375 -0.157 1 1 1563 . 4 1 1 A 157 157 PRO CA C 370 63.431 63.739 -0.308 1 1 1564 . 4 1 1 A 157 157 PRO CB C 370 31.913 31.798 0.115 1 1 1567 . 4 1 1 A 158 158 VAL H H 371 8.137 7.579 0.558 1 1 1568 . 4 1 1 A 158 158 VAL HA H 371 4.089 4.156 -0.067 1 1 1576 . 4 1 1 A 158 158 VAL C C 371 175.904 175.517 0.387 1 1 1577 . 4 1 1 A 158 158 VAL CA C 371 62.121 60.464 1.657 1 1 1578 . 4 1 1 A 158 158 VAL CB C 371 32.958 33.337 -0.379 1 1 1581 . 4 1 1 A 158 158 VAL N N 371 119.640 114.978 4.662 1 1 1582 . 4 1 1 A 159 159 GLU H H 372 8.523 8.510 0.013 1 1 1583 . 4 1 1 A 159 159 GLU HA H 372 4.345 4.312 0.033 1 1 1588 . 4 1 1 A 159 159 GLU C C 372 176.068 176.325 -0.257 1 1 1589 . 4 1 1 A 159 159 GLU CA C 372 56.474 55.200 1.274 1 1 1590 . 4 1 1 A 159 159 GLU CB C 372 30.078 31.820 -1.742 1 1 1592 . 4 1 1 A 159 159 GLU N N 372 123.765 122.162 1.603 1 1 1593 . 4 1 1 A 160 160 THR H H 373 8.096 8.405 -0.309 1 1 1594 . 4 1 1 A 160 160 THR HA H 373 4.311 4.216 0.095 1 1 1599 . 4 1 1 A 160 160 THR C C 373 173.701 174.857 -1.156 1 1 1600 . 4 1 1 A 160 160 THR CA C 373 61.845 62.745 -0.900 1 1 1601 . 4 1 1 A 160 160 THR CB C 373 69.760 69.497 0.263 1 1 1603 . 4 1 1 A 160 160 THR N N 373 114.143 117.589 -3.446 1 1 1604 . 4 1 1 A 161 161 ASP H H 374 8.387 8.260 0.127 1 1 1605 . 4 1 1 A 161 161 ASP HA H 374 4.625 4.625 0.000 1 1 1608 . 4 1 1 A 161 161 ASP C C 374 175.806 176.588 -0.782 1 1 1609 . 4 1 1 A 161 161 ASP CA C 374 54.478 54.260 0.218 1 1 1610 . 4 1 1 A 161 161 ASP CB C 374 41.096 41.766 -0.670 1 1 1611 . 4 1 1 A 161 161 ASP N N 374 122.070 124.243 -2.173 1 1 1612 . 4 1 1 A 162 162 SER H H 375 8.175 8.341 -0.166 1 1 1613 . 4 1 1 A 162 162 SER HA H 375 4.385 4.304 0.081 1 1 1616 . 4 1 1 A 162 162 SER C C 375 174.169 174.166 0.003 1 1 1617 . 4 1 1 A 162 162 SER CA C 375 58.631 60.211 -1.580 1 1 1618 . 4 1 1 A 162 162 SER CB C 375 63.814 63.160 0.654 1 1 1619 . 4 1 1 A 162 162 SER N N 375 115.346 117.232 -1.886 1 1 1620 . 4 1 1 A 163 163 GLU H H 376 8.424 8.142 0.282 1 1 1621 . 4 1 1 A 163 163 GLU HA H 376 4.263 4.904 -0.641 1 1 1626 . 4 1 1 A 163 163 GLU C C 376 175.959 175.478 0.481 1 1 1627 . 4 1 1 A 163 163 GLU CA C 376 56.567 55.391 1.176 1 1 1628 . 4 1 1 A 163 163 GLU CB C 376 30.044 31.881 -1.837 1 1 1630 . 4 1 1 A 163 163 GLU N N 376 122.034 125.423 -3.389 1 1 1631 . 4 1 1 A 164 164 GLU H H 377 8.298 8.695 -0.397 1 1 1632 . 4 1 1 A 164 164 GLU HA H 377 4.224 4.431 -0.207 1 1 1637 . 4 1 1 A 164 164 GLU C C 377 175.816 177.867 -2.051 1 1 1638 . 4 1 1 A 164 164 GLU CA C 377 56.489 55.341 1.148 1 1 1639 . 4 1 1 A 164 164 GLU CB C 377 30.220 31.098 -0.878 1 1 1641 . 4 1 1 A 164 164 GLU N N 377 120.980 123.564 -2.584 1 1 1642 . 4 1 1 A 165 165 GLN H H 378 8.340 8.622 -0.282 1 1 1643 . 4 1 1 A 165 165 GLN HA H 378 4.563 4.012 0.551 1 1 1645 . 4 1 1 A 165 165 GLN C C 378 173.510 176.969 -3.459 1 1 1646 . 4 1 1 A 165 165 GLN CA C 378 53.530 60.847 -7.317 1 1 1647 . 4 1 1 A 165 165 GLN CB C 378 28.816 28.018 0.798 1 1 1649 . 4 1 1 A 165 165 GLN N N 378 121.693 122.703 -1.010 1 1 1650 . 4 1 1 A 166 166 PRO HA H 379 4.381 4.747 -0.366 1 1 1657 . 4 1 1 A 166 166 PRO C C 379 176.081 176.153 -0.072 1 1 1658 . 4 1 1 A 166 166 PRO CA C 379 63.260 62.400 0.860 1 1 1659 . 4 1 1 A 166 166 PRO CB C 379 32.010 29.312 2.698 1 1 1662 . 4 1 1 A 167 167 TYR H H 380 8.116 8.469 -0.353 1 1 1663 . 4 1 1 A 167 167 TYR HA H 380 4.513 4.594 -0.081 1 1 1668 . 4 1 1 A 167 167 TYR C C 380 174.992 175.023 -0.031 1 1 1669 . 4 1 1 A 167 167 TYR CA C 380 57.699 57.572 0.127 1 1 1670 . 4 1 1 A 167 167 TYR CB C 380 38.344 39.722 -1.378 1 1 1673 . 4 1 1 A 167 167 TYR N N 380 119.531 119.434 0.097 1 1 1674 . 4 1 1 A 168 168 LEU H H 381 7.953 8.373 -0.420 1 1 1675 . 4 1 1 A 168 168 LEU HA H 381 4.267 4.485 -0.218 1 1 1685 . 4 1 1 A 168 168 LEU C C 381 176.162 176.247 -0.085 1 1 1686 . 4 1 1 A 168 168 LEU CA C 381 54.808 53.554 1.254 1 1 1687 . 4 1 1 A 168 168 LEU CB C 381 42.735 43.619 -0.884 1 1 1691 . 4 1 1 A 168 168 LEU N N 381 124.133 121.068 3.065 1 1 1692 . 4 1 1 A 169 169 GLU H H 382 8.190 8.624 -0.434 1 1 1693 . 4 1 1 A 169 169 GLU HA H 382 4.167 3.835 0.332 1 1 1698 . 4 1 1 A 169 169 GLU C C 382 175.881 176.722 -0.841 1 1 1699 . 4 1 1 A 169 169 GLU CA C 382 56.655 57.976 -1.321 1 1 1700 . 4 1 1 A 169 169 GLU CB C 382 30.058 30.280 -0.222 1 1 1702 . 4 1 1 A 169 169 GLU N N 382 121.131 125.022 -3.891 1 1 1703 . 4 1 1 A 170 170 MET H H 383 8.214 7.551 0.663 1 1 1704 . 4 1 1 A 170 170 MET HA H 383 4.377 4.581 -0.204 1 1 1709 . 4 1 1 A 170 170 MET C C 383 175.132 174.150 0.982 1 1 1710 . 4 1 1 A 170 170 MET CA C 383 55.606 54.360 1.246 1 1 1711 . 4 1 1 A 170 170 MET CB C 383 33.091 34.601 -1.510 1 1 1713 . 4 1 1 A 170 170 MET N N 383 120.601 113.469 7.132 1 1 1714 . 4 1 1 A 171 171 ASP H H 384 8.358 8.685 -0.327 1 1 1715 . 4 1 1 A 171 171 ASP HA H 384 4.575 4.936 -0.361 1 1 1718 . 4 1 1 A 171 171 ASP C C 384 175.966 175.742 0.224 1 1 1719 . 4 1 1 A 171 171 ASP CA C 384 53.741 51.772 1.969 1 1 1720 . 4 1 1 A 171 171 ASP CB C 384 40.571 42.169 -1.598 1 1 1721 . 4 1 1 A 171 171 ASP N N 384 121.104 119.411 1.693 1 1 1722 . 4 1 1 A 172 172 LEU H H 385 8.285 8.232 0.053 1 1 1723 . 4 1 1 A 172 172 LEU HA H 385 4.305 4.341 -0.036 1 1 1733 . 4 1 1 A 172 172 LEU C C 385 177.140 177.666 -0.526 1 1 1734 . 4 1 1 A 172 172 LEU CA C 385 55.122 54.298 0.824 1 1 1735 . 4 1 1 A 172 172 LEU CB C 385 41.851 43.620 -1.769 1 1 1739 . 4 1 1 A 172 172 LEU N N 385 123.115 117.957 5.158 1 1 1740 . 4 1 1 A 173 173 SER H H 386 8.290 8.826 -0.536 1 1 1741 . 4 1 1 A 173 173 SER N N 386 115.101 115.888 -0.787 1 1 1742 . 4 1 1 A 176 176 GLN HA H 389 4.383 4.478 -0.095 1 1 1749 . 4 1 1 A 176 176 GLN CA C 389 55.991 55.263 0.728 1 1 1750 . 4 1 1 A 176 176 GLN CB C 389 29.280 29.488 -0.208 1 1 1753 . 4 1 1 A 177 177 THR H H 390 6.958 8.570 -1.612 1 1 1754 . 4 1 1 A 177 177 THR HA H 390 3.970 4.306 -0.336 1 1 1759 . 4 1 1 A 177 177 THR C C 390 172.764 174.735 -1.971 1 1 1760 . 4 1 1 A 177 177 THR CA C 390 62.221 62.474 -0.253 1 1 1761 . 4 1 1 A 177 177 THR CB C 390 69.382 68.915 0.467 1 1 1763 . 4 1 1 A 177 177 THR N N 390 115.463 116.138 -0.675 1 1 1764 . 4 1 1 A 178 178 ARG H H 391 7.873 8.574 -0.701 1 1 1765 . 4 1 1 A 178 178 ARG C C 391 174.982 175.030 -0.048 1 1 1766 . 4 1 1 A 178 178 ARG CA C 391 55.266 56.748 -1.482 1 1 1767 . 4 1 1 A 178 178 ARG CB C 391 31.052 31.761 -0.709 1 1 1769 . 4 1 1 A 178 178 ARG N N 391 122.116 126.801 -4.685 1 1 1770 . 4 1 1 A 179 179 TYR H H 392 8.812 8.952 -0.140 1 1 1771 . 4 1 1 A 179 179 TYR HA H 392 4.621 5.436 -0.815 1 1 1776 . 4 1 1 A 179 179 TYR C C 392 174.337 174.005 0.332 1 1 1777 . 4 1 1 A 179 179 TYR CA C 392 57.444 56.860 0.584 1 1 1778 . 4 1 1 A 179 179 TYR CB C 392 40.623 41.816 -1.193 1 1 1781 . 4 1 1 A 179 179 TYR N N 392 118.296 122.923 -4.627 1 1 1782 . 4 1 1 A 180 180 ILE H H 393 7.254 8.647 -1.393 1 1 1783 . 4 1 1 A 180 180 ILE HA H 393 4.610 4.651 -0.041 1 1 1793 . 4 1 1 A 180 180 ILE C C 393 171.654 173.844 -2.190 1 1 1794 . 4 1 1 A 180 180 ILE CA C 393 56.916 58.678 -1.762 1 1 1795 . 4 1 1 A 180 180 ILE CB C 393 39.736 38.988 0.748 1 1 1799 . 4 1 1 A 180 180 ILE N N 393 108.609 127.742 -19.133 1 1 1800 . 4 1 1 A 181 181 PRO HA H 394 4.709 4.825 -0.116 1 1 1807 . 4 1 1 A 181 181 PRO C C 394 173.910 176.805 -2.895 1 1 1808 . 4 1 1 A 181 181 PRO CA C 394 62.144 62.542 -0.398 1 1 1809 . 4 1 1 A 181 181 PRO CB C 394 32.527 32.980 -0.453 1 1 1812 . 4 1 1 A 182 182 ASP H H 395 8.296 8.946 -0.650 1 1 1813 . 4 1 1 A 182 182 ASP HA H 395 4.665 4.903 -0.238 1 1 1816 . 4 1 1 A 182 182 ASP C C 395 175.120 175.739 -0.619 1 1 1817 . 4 1 1 A 182 182 ASP CA C 395 52.455 54.014 -1.559 1 1 1818 . 4 1 1 A 182 182 ASP CB C 395 38.742 41.501 -2.759 1 1 1819 . 4 1 1 A 182 182 ASP N N 395 120.042 120.223 -0.181 1 1 1820 . 4 1 1 A 183 183 GLU H H 396 7.651 7.404 0.247 1 1 1821 . 4 1 1 A 183 183 GLU HA H 396 4.492 4.345 0.147 1 1 1826 . 4 1 1 A 183 183 GLU C C 396 173.702 175.560 -1.858 1 1 1827 . 4 1 1 A 183 183 GLU CA C 396 54.897 55.133 -0.236 1 1 1828 . 4 1 1 A 183 183 GLU CB C 396 32.509 30.481 2.028 1 1 1830 . 4 1 1 A 183 183 GLU N N 396 117.840 118.601 -0.761 1 1 1831 . 4 1 1 A 184 184 ALA H H 397 8.365 8.618 -0.253 1 1 1832 . 4 1 1 A 184 184 ALA HA H 397 4.394 5.096 -0.702 1 1 1836 . 4 1 1 A 184 184 ALA C C 397 175.829 176.410 -0.581 1 1 1837 . 4 1 1 A 184 184 ALA CA C 397 52.770 50.933 1.837 1 1 1838 . 4 1 1 A 184 184 ALA CB C 397 20.682 23.155 -2.473 1 1 1839 . 4 1 1 A 184 184 ALA N N 397 121.613 121.320 0.293 1 1 1840 . 4 1 1 A 185 185 ASP H H 398 7.245 9.167 -1.922 1 1 1841 . 4 1 1 A 185 185 ASP HA H 398 4.092 4.337 -0.245 1 1 1844 . 4 1 1 A 185 185 ASP C C 398 172.730 175.027 -2.297 1 1 1845 . 4 1 1 A 185 185 ASP CA C 398 56.144 55.410 0.734 1 1 1846 . 4 1 1 A 185 185 ASP CB C 398 39.841 40.292 -0.451 1 1 1847 . 4 1 1 A 185 185 ASP N N 398 105.829 118.076 -12.247 1 1 1848 . 4 1 1 A 186 186 PHE H H 399 8.467 7.380 1.087 1 1 1849 . 4 1 1 A 186 186 PHE HA H 399 5.486 5.294 0.192 1 1 1852 . 4 1 1 A 186 186 PHE C C 399 176.218 172.930 3.288 1 1 1853 . 4 1 1 A 186 186 PHE CA C 399 57.959 55.722 2.237 1 1 1854 . 4 1 1 A 186 186 PHE CB C 399 44.529 42.303 2.226 1 1 1855 . 4 1 1 A 186 186 PHE N N 399 116.177 114.261 1.916 1 1 1856 . 4 1 1 A 187 187 LEU H H 400 8.964 8.357 0.607 1 1 1857 . 4 1 1 A 187 187 LEU HA H 400 4.963 4.836 0.127 1 1 1867 . 4 1 1 A 187 187 LEU C C 400 171.747 174.787 -3.040 1 1 1868 . 4 1 1 A 187 187 LEU CA C 400 55.422 53.840 1.582 1 1 1869 . 4 1 1 A 187 187 LEU CB C 400 45.641 45.740 -0.099 1 1 1873 . 4 1 1 A 187 187 LEU N N 400 121.383 122.469 -1.086 1 1 1874 . 4 1 1 A 188 188 LEU H H 401 9.312 8.422 0.890 1 1 1875 . 4 1 1 A 188 188 LEU HA H 401 5.580 5.124 0.456 1 1 1885 . 4 1 1 A 188 188 LEU C C 401 173.853 177.392 -3.539 1 1 1886 . 4 1 1 A 188 188 LEU CA C 401 53.421 52.917 0.504 1 1 1887 . 4 1 1 A 188 188 LEU CB C 401 45.403 45.316 0.087 1 1 1891 . 4 1 1 A 188 188 LEU N N 401 128.151 123.771 4.380 1 1 1892 . 4 1 1 A 189 189 GLY H H 402 9.415 8.687 0.728 1 1 1893 . 4 1 1 A 189 189 GLY HA2 H 402 4.670 3.771 0.899 1 1 1894 . 4 1 1 A 189 189 GLY HA3 H 402 3.663 3.873 -0.210 1 1 1895 . 4 1 1 A 189 189 GLY C C 402 171.014 174.689 -3.675 1 1 1896 . 4 1 1 A 189 189 GLY CA C 402 44.967 47.300 -2.333 1 1 1897 . 4 1 1 A 189 189 GLY N N 402 115.881 108.417 7.464 1 1 1898 . 4 1 1 A 190 190 MET H H 403 8.118 7.757 0.361 1 1 1899 . 4 1 1 A 190 190 MET HA H 403 5.314 4.419 0.895 1 1 1907 . 4 1 1 A 190 190 MET C C 403 173.744 175.842 -2.098 1 1 1908 . 4 1 1 A 190 190 MET CA C 403 53.284 55.802 -2.518 1 1 1909 . 4 1 1 A 190 190 MET CB C 403 36.614 33.022 3.592 1 1 1912 . 4 1 1 A 190 190 MET N N 403 122.165 117.514 4.651 1 1 1934 . 4 1 1 A 203 203 ALA H H 416 8.076 8.574 -0.498 1 1 1935 . 4 1 1 A 203 203 ALA HA H 416 4.228 4.244 -0.016 1 1 1939 . 4 1 1 A 203 203 ALA C C 416 176.895 178.262 -1.367 1 1 1940 . 4 1 1 A 203 203 ALA CA C 416 52.743 54.668 -1.925 1 1 1941 . 4 1 1 A 203 203 ALA CB C 416 18.723 19.119 -0.396 1 1 1942 . 4 1 1 A 203 203 ALA N N 416 119.053 125.468 -6.415 1 1 1943 . 4 1 1 A 204 204 GLU H H 417 7.784 8.274 -0.490 1 1 1944 . 4 1 1 A 204 204 GLU HA H 417 4.350 4.359 -0.009 1 1 1949 . 4 1 1 A 204 204 GLU C C 417 175.678 176.708 -1.030 1 1 1950 . 4 1 1 A 204 204 GLU CA C 417 55.650 55.632 0.018 1 1 1951 . 4 1 1 A 204 204 GLU CB C 417 30.312 28.676 1.636 1 1 1953 . 4 1 1 A 204 204 GLU N N 417 116.458 113.517 2.941 1 1 1954 . 4 1 1 A 205 205 GLY H H 418 7.910 7.971 -0.061 1 1 1955 . 4 1 1 A 205 205 GLY CA C 418 43.804 45.777 -1.973 1 1 1956 . 4 1 1 A 205 205 GLY N N 418 108.024 109.602 -1.578 1 1 1957 . 4 1 1 A 206 206 THR H H 419 8.364 8.327 0.037 1 1 1958 . 4 1 1 A 206 206 THR HA H 419 4.316 4.811 -0.495 1 1 1963 . 4 1 1 A 206 206 THR CA C 419 64.682 60.656 4.026 1 1 1964 . 4 1 1 A 206 206 THR CB C 419 69.304 70.544 -1.240 1 1 1966 . 4 1 1 A 206 206 THR N N 419 115.417 112.936 2.481 1 1 1967 . 4 1 1 A 207 207 TRP HA H 420 4.116 4.956 -0.840 1 1 1976 . 4 1 1 A 207 207 TRP CA C 420 61.178 56.450 4.728 1 1 1977 . 4 1 1 A 207 207 TRP CB C 420 28.670 31.388 -2.718 1 1 1984 . 4 1 1 A 209 209 ILE H H 422 6.744 7.965 -1.221 1 1 1985 . 4 1 1 A 209 209 ILE HA H 422 3.349 4.045 -0.696 1 1 1993 . 4 1 1 A 209 209 ILE C C 422 178.143 178.130 0.013 1 1 1994 . 4 1 1 A 209 209 ILE CA C 422 60.865 63.252 -2.387 1 1 1995 . 4 1 1 A 209 209 ILE CB C 422 34.371 37.991 -3.620 1 1 1999 . 4 1 1 A 209 209 ILE N N 422 113.211 119.930 -6.719 1 1 2000 . 4 1 1 A 210 210 GLN H H 423 8.252 8.481 -0.229 1 1 2001 . 4 1 1 A 210 210 GLN HA H 423 3.548 4.087 -0.539 1 1 2006 . 4 1 1 A 210 210 GLN C C 423 179.079 176.851 2.228 1 1 2007 . 4 1 1 A 210 210 GLN CA C 423 58.795 58.390 0.405 1 1 2008 . 4 1 1 A 210 210 GLN CB C 423 26.704 28.706 -2.002 1 1 2010 . 4 1 1 A 210 210 GLN N N 423 116.455 120.736 -4.281 1 1 2011 . 4 1 1 A 211 211 SER H H 424 8.162 7.907 0.255 1 1 2012 . 4 1 1 A 211 211 SER HA H 424 3.961 4.515 -0.554 1 1 2015 . 4 1 1 A 211 211 SER C C 424 179.150 175.654 3.496 1 1 2016 . 4 1 1 A 211 211 SER CA C 424 61.850 59.283 2.567 1 1 2017 . 4 1 1 A 211 211 SER CB C 424 62.214 64.209 -1.995 1 1 2018 . 4 1 1 A 211 211 SER N N 424 115.041 115.114 -0.073 1 1 2019 . 4 1 1 A 212 212 LEU H H 425 8.061 8.214 -0.153 1 1 2020 . 4 1 1 A 212 212 LEU HA H 425 3.540 4.230 -0.690 1 1 2030 . 4 1 1 A 212 212 LEU C C 425 177.566 178.219 -0.653 1 1 2031 . 4 1 1 A 212 212 LEU CA C 425 58.548 57.932 0.616 1 1 2032 . 4 1 1 A 212 212 LEU CB C 425 41.665 41.639 0.026 1 1 2036 . 4 1 1 A 212 212 LEU N N 425 124.082 122.315 1.767 1 1 2037 . 4 1 1 A 213 213 CYS H H 426 7.940 8.168 -0.228 1 1 2038 . 4 1 1 A 213 213 CYS HA H 426 3.628 3.944 -0.316 1 1 2041 . 4 1 1 A 213 213 CYS C C 426 175.741 177.300 -1.559 1 1 2042 . 4 1 1 A 213 213 CYS CA C 426 65.159 62.032 3.127 1 1 2043 . 4 1 1 A 213 213 CYS CB C 426 49.251 27.146 22.105 1 1 2044 . 4 1 1 A 213 213 CYS N N 426 114.351 117.487 -3.136 1 1 2045 . 4 1 1 A 214 214 GLN H H 427 7.510 8.190 -0.680 1 1 2046 . 4 1 1 A 214 214 GLN HA H 427 3.772 4.038 -0.266 1 1 2051 . 4 1 1 A 214 214 GLN C C 427 177.769 177.655 0.114 1 1 2052 . 4 1 1 A 214 214 GLN CA C 427 59.019 58.245 0.774 1 1 2053 . 4 1 1 A 214 214 GLN CB C 427 27.718 27.886 -0.168 1 1 2055 . 4 1 1 A 214 214 GLN N N 427 117.399 118.275 -0.876 1 1 2056 . 4 1 1 A 215 215 SER H H 428 7.906 7.980 -0.074 1 1 2057 . 4 1 1 A 215 215 SER HA H 428 4.173 4.257 -0.084 1 1 2060 . 4 1 1 A 215 215 SER CA C 428 62.653 61.332 1.321 1 1 2061 . 4 1 1 A 215 215 SER CB C 428 62.889 62.730 0.159 1 1 2062 . 4 1 1 A 215 215 SER N N 428 113.799 114.923 -1.124 1 1 2063 . 4 1 1 A 216 216 LEU H H 429 8.505 8.108 0.397 1 1 2064 . 4 1 1 A 216 216 LEU HA H 429 4.156 4.050 0.106 1 1 2071 . 4 1 1 A 216 216 LEU C C 429 178.848 177.916 0.932 1 1 2072 . 4 1 1 A 216 216 LEU CA C 429 58.053 56.838 1.215 1 1 2073 . 4 1 1 A 216 216 LEU CB C 429 41.222 41.140 0.082 1 1 2076 . 4 1 1 A 216 216 LEU N N 429 121.357 119.830 1.527 1 1 2077 . 4 1 1 A 217 217 ARG H H 430 7.972 7.633 0.339 1 1 2078 . 4 1 1 A 217 217 ARG HA H 430 3.850 4.169 -0.319 1 1 2085 . 4 1 1 A 217 217 ARG C C 430 178.237 176.721 1.516 1 1 2086 . 4 1 1 A 217 217 ARG CA C 430 59.472 57.356 2.116 1 1 2087 . 4 1 1 A 217 217 ARG CB C 430 30.256 30.447 -0.191 1 1 2090 . 4 1 1 A 217 217 ARG N N 430 116.018 119.045 -3.027 1 1 2091 . 4 1 1 A 218 218 GLU H H 431 7.583 7.868 -0.285 1 1 2092 . 4 1 1 A 218 218 GLU HA H 431 4.119 4.307 -0.188 1 1 2096 . 4 1 1 A 218 218 GLU C C 431 178.377 175.591 2.786 1 1 2097 . 4 1 1 A 218 218 GLU CA C 431 58.207 55.990 2.217 1 1 2098 . 4 1 1 A 218 218 GLU CB C 431 30.548 28.562 1.986 1 1 2100 . 4 1 1 A 218 218 GLU N N 431 113.645 117.138 -3.493 1 1 2101 . 4 1 1 A 219 219 ARG H H 432 8.621 7.796 0.825 1 1 2102 . 4 1 1 A 219 219 ARG HA H 432 4.180 3.900 0.280 1 1 2103 . 4 1 1 A 219 219 ARG C C 432 178.455 176.063 2.392 1 1 2104 . 4 1 1 A 219 219 ARG CA C 432 58.428 56.723 1.705 1 1 2105 . 4 1 1 A 219 219 ARG CB C 432 30.936 27.440 3.496 1 1 2107 . 4 1 1 A 219 219 ARG N N 432 114.272 114.408 -0.136 1 1 2108 . 4 1 1 A 220 220 CYS H H 433 8.828 7.749 1.079 1 1 2109 . 4 1 1 A 220 220 CYS HA H 433 4.464 4.150 0.314 1 1 2112 . 4 1 1 A 220 220 CYS C C 433 176.708 175.346 1.362 1 1 2113 . 4 1 1 A 220 220 CYS CA C 433 66.312 63.627 2.685 1 1 2114 . 4 1 1 A 220 220 CYS CB C 433 47.095 25.661 21.434 1 1 2115 . 4 1 1 A 220 220 CYS N N 433 120.012 117.269 2.743 1 1 2116 . 4 1 1 A 221 221 PRO HA H 434 4.463 4.855 -0.392 1 1 2123 . 4 1 1 A 221 221 PRO C C 434 177.064 176.631 0.433 1 1 2124 . 4 1 1 A 221 221 PRO CA C 434 65.717 62.413 3.304 1 1 2125 . 4 1 1 A 221 221 PRO CB C 434 31.169 31.265 -0.096 1 1 2128 . 4 1 1 A 222 222 ARG H H 435 6.904 9.036 -2.132 1 1 2129 . 4 1 1 A 222 222 ARG HA H 435 4.331 4.624 -0.293 1 1 2136 . 4 1 1 A 222 222 ARG C C 435 176.536 176.530 0.006 1 1 2137 . 4 1 1 A 222 222 ARG CA C 435 55.901 56.312 -0.411 1 1 2138 . 4 1 1 A 222 222 ARG CB C 435 30.116 33.203 -3.087 1 1 2141 . 4 1 1 A 222 222 ARG N N 435 112.486 121.473 -8.987 1 1 2142 . 4 1 1 A 223 223 GLY H H 436 8.160 7.596 0.564 1 1 2143 . 4 1 1 A 223 223 GLY HA2 H 436 4.237 4.019 0.218 1 1 2144 . 4 1 1 A 223 223 GLY HA3 H 436 3.643 4.035 -0.392 1 1 2145 . 4 1 1 A 223 223 GLY C C 436 173.338 174.465 -1.127 1 1 2146 . 4 1 1 A 223 223 GLY CA C 436 43.988 45.490 -1.502 1 1 2147 . 4 1 1 A 223 223 GLY N N 436 105.931 106.113 -0.182 1 1 2148 . 4 1 1 A 224 224 ASP H H 437 6.891 7.992 -1.101 1 1 2149 . 4 1 1 A 224 224 ASP HA H 437 4.500 4.694 -0.194 1 1 2151 . 4 1 1 A 224 224 ASP C C 437 173.806 175.839 -2.033 1 1 2152 . 4 1 1 A 224 224 ASP CA C 437 54.576 54.907 -0.331 1 1 2153 . 4 1 1 A 224 224 ASP CB C 437 40.588 41.469 -0.881 1 1 2154 . 4 1 1 A 224 224 ASP N N 437 119.342 121.606 -2.264 1 1 2155 . 4 1 1 A 225 225 ASP H H 438 8.054 8.615 -0.561 1 1 2156 . 4 1 1 A 225 225 ASP HA H 438 4.912 4.721 0.191 1 1 2159 . 4 1 1 A 225 225 ASP C C 438 175.631 176.448 -0.817 1 1 2160 . 4 1 1 A 225 225 ASP CA C 438 52.579 54.298 -1.719 1 1 2161 . 4 1 1 A 225 225 ASP CB C 438 42.616 41.579 1.037 1 1 2162 . 4 1 1 A 225 225 ASP N N 438 117.877 121.837 -3.960 1 1 2163 . 4 1 1 A 226 226 ILE H H 439 9.101 8.624 0.477 1 1 2164 . 4 1 1 A 226 226 ILE HA H 439 3.621 3.902 -0.281 1 1 2174 . 4 1 1 A 226 226 ILE C C 439 176.146 177.721 -1.575 1 1 2175 . 4 1 1 A 226 226 ILE CA C 439 62.602 63.546 -0.944 1 1 2176 . 4 1 1 A 226 226 ILE CB C 439 36.530 38.036 -1.506 1 1 2180 . 4 1 1 A 226 226 ILE N N 439 118.352 122.352 -4.000 1 1 2181 . 4 1 1 A 227 227 LEU H H 440 7.814 7.920 -0.106 1 1 2182 . 4 1 1 A 227 227 LEU HA H 440 3.918 3.836 0.082 1 1 2192 . 4 1 1 A 227 227 LEU C C 440 179.397 179.216 0.181 1 1 2193 . 4 1 1 A 227 227 LEU CA C 440 58.566 57.554 1.012 1 1 2194 . 4 1 1 A 227 227 LEU CB C 440 40.819 41.204 -0.385 1 1 2198 . 4 1 1 A 227 227 LEU N N 440 119.906 121.033 -1.127 1 1 2199 . 4 1 1 A 228 228 THR H H 441 7.665 7.992 -0.327 1 1 2200 . 4 1 1 A 228 228 THR HA H 441 4.289 3.992 0.297 1 1 2205 . 4 1 1 A 228 228 THR C C 441 179.489 176.738 2.751 1 1 2206 . 4 1 1 A 228 228 THR CA C 441 61.837 64.941 -3.104 1 1 2207 . 4 1 1 A 228 228 THR CB C 441 69.979 68.653 1.326 1 1 2209 . 4 1 1 A 228 228 THR N N 441 120.011 110.586 9.425 1 1 2210 . 4 1 1 A 229 229 ILE H H 442 7.807 7.669 0.138 1 1 2211 . 4 1 1 A 229 229 ILE HA H 442 3.300 3.721 -0.421 1 1 2221 . 4 1 1 A 229 229 ILE C C 442 177.728 177.080 0.648 1 1 2222 . 4 1 1 A 229 229 ILE CA C 442 66.069 64.990 1.079 1 1 2223 . 4 1 1 A 229 229 ILE CB C 442 38.260 37.342 0.918 1 1 2227 . 4 1 1 A 229 229 ILE N N 442 119.411 122.635 -3.224 1 1 2228 . 4 1 1 A 230 230 LEU H H 443 8.530 7.264 1.266 1 1 2229 . 4 1 1 A 230 230 LEU HA H 443 3.958 4.053 -0.095 1 1 2239 . 4 1 1 A 230 230 LEU C C 443 178.689 177.604 1.085 1 1 2240 . 4 1 1 A 230 230 LEU CA C 443 57.697 56.230 1.467 1 1 2241 . 4 1 1 A 230 230 LEU CB C 443 42.191 42.181 0.010 1 1 2245 . 4 1 1 A 230 230 LEU N N 443 116.186 123.270 -7.084 1 1 2246 . 4 1 1 A 231 231 THR H H 444 8.008 8.759 -0.751 1 1 2247 . 4 1 1 A 231 231 THR HA H 444 4.153 4.099 0.054 1 1 2252 . 4 1 1 A 231 231 THR C C 444 175.208 175.033 0.175 1 1 2253 . 4 1 1 A 231 231 THR CA C 444 65.327 63.028 2.299 1 1 2254 . 4 1 1 A 231 231 THR CB C 444 69.718 67.906 1.812 1 1 2256 . 4 1 1 A 231 231 THR N N 444 112.075 118.918 -6.843 1 1 2257 . 4 1 1 A 232 232 GLU H H 445 7.717 8.122 -0.405 1 1 2258 . 4 1 1 A 232 232 GLU HA H 445 4.186 4.181 0.005 1 1 2259 . 4 1 1 A 232 232 GLU C C 445 177.156 179.118 -1.962 1 1 2260 . 4 1 1 A 232 232 GLU CA C 445 57.891 58.327 -0.436 1 1 2261 . 4 1 1 A 232 232 GLU CB C 445 28.836 29.850 -1.014 1 1 2263 . 4 1 1 A 232 232 GLU N N 445 120.074 121.520 -1.446 1 1 2294 . 4 1 1 A 252 252 GLN H H 465 8.586 7.714 0.872 1 1 2295 . 4 1 1 A 252 252 GLN HA H 465 4.689 4.610 0.079 1 1 2296 . 4 1 1 A 252 252 GLN C C 465 174.446 173.300 1.146 1 1 2297 . 4 1 1 A 252 252 GLN CA C 465 53.682 53.836 -0.154 1 1 2298 . 4 1 1 A 252 252 GLN CB C 465 28.537 28.793 -0.256 1 1 2300 . 4 1 1 A 252 252 GLN N N 465 121.782 116.483 5.299 1 1 2301 . 4 1 1 A 253 253 PRO HA H 466 4.902 4.576 0.326 1 1 2302 . 4 1 1 A 253 253 PRO C C 466 174.937 176.482 -1.545 1 1 2303 . 4 1 1 A 253 253 PRO CA C 466 63.075 62.640 0.435 1 1 2304 . 4 1 1 A 253 253 PRO CB C 466 32.384 32.237 0.147 1 1 2307 . 4 1 1 A 254 254 THR H H 467 8.556 8.281 0.275 1 1 2308 . 4 1 1 A 254 254 THR HA H 467 4.659 4.423 0.236 1 1 2313 . 4 1 1 A 254 254 THR C C 467 172.995 174.920 -1.925 1 1 2314 . 4 1 1 A 254 254 THR CA C 467 61.740 61.615 0.125 1 1 2315 . 4 1 1 A 254 254 THR CB C 467 70.195 69.977 0.218 1 1 2317 . 4 1 1 A 254 254 THR N N 467 115.754 109.945 5.809 1 1 2318 . 4 1 1 A 255 255 PHE H H 468 8.560 7.620 0.940 1 1 2319 . 4 1 1 A 255 255 PHE HA H 468 5.502 4.218 1.284 1 1 2322 . 4 1 1 A 255 255 PHE C C 468 173.198 175.282 -2.084 1 1 2323 . 4 1 1 A 255 255 PHE CA C 468 56.283 57.573 -1.290 1 1 2324 . 4 1 1 A 255 255 PHE CB C 468 43.426 39.513 3.913 1 1 2325 . 4 1 1 A 255 255 PHE N N 468 120.481 122.349 -1.868 1 1 2326 . 4 1 1 A 256 256 THR H H 469 9.702 7.866 1.836 1 1 2327 . 4 1 1 A 256 256 THR HA H 469 4.662 5.039 -0.377 1 1 2332 . 4 1 1 A 256 256 THR C C 469 176.561 173.160 3.401 1 1 2333 . 4 1 1 A 256 256 THR CA C 469 59.948 60.248 -0.300 1 1 2334 . 4 1 1 A 256 256 THR CB C 469 69.145 70.097 -0.952 1 1 2336 . 4 1 1 A 256 256 THR N N 469 108.601 113.241 -4.640 1 1 2337 . 4 1 1 A 257 257 LEU H H 470 7.235 8.829 -1.594 1 1 2338 . 4 1 1 A 257 257 LEU HA H 470 4.401 5.025 -0.624 1 1 2348 . 4 1 1 A 257 257 LEU C C 470 175.975 177.182 -1.207 1 1 2349 . 4 1 1 A 257 257 LEU CA C 470 55.492 53.148 2.344 1 1 2350 . 4 1 1 A 257 257 LEU CB C 470 41.850 44.683 -2.833 1 1 2354 . 4 1 1 A 257 257 LEU N N 470 120.802 128.323 -7.521 1 1 2355 . 4 1 1 A 258 258 ARG H H 471 8.228 8.720 -0.492 1 1 2356 . 4 1 1 A 258 258 ARG HA H 471 4.631 4.230 0.401 1 1 2363 . 4 1 1 A 258 258 ARG C C 471 174.114 176.077 -1.963 1 1 2364 . 4 1 1 A 258 258 ARG CA C 471 55.071 57.862 -2.791 1 1 2365 . 4 1 1 A 258 258 ARG CB C 471 32.470 30.753 1.717 1 1 2368 . 4 1 1 A 258 258 ARG N N 471 118.883 122.468 -3.585 1 1 2369 . 4 1 1 A 259 259 LYS H H 472 7.217 7.559 -0.342 1 1 2370 . 4 1 1 A 259 259 LYS HA H 472 4.260 4.824 -0.564 1 1 2379 . 4 1 1 A 259 259 LYS C C 472 174.571 174.528 0.043 1 1 2380 . 4 1 1 A 259 259 LYS CA C 472 53.269 54.514 -1.245 1 1 2381 . 4 1 1 A 259 259 LYS CB C 472 36.332 37.516 -1.184 1 1 2385 . 4 1 1 A 259 259 LYS N N 472 116.031 117.596 -1.565 1 1 2386 . 4 1 1 A 260 260 LYS H H 473 8.357 8.745 -0.388 1 1 2387 . 4 1 1 A 260 260 LYS HA H 473 4.297 4.492 -0.195 1 1 2396 . 4 1 1 A 260 260 LYS C C 473 174.137 175.473 -1.336 1 1 2397 . 4 1 1 A 260 260 LYS CA C 473 57.258 56.146 1.112 1 1 2398 . 4 1 1 A 260 260 LYS CB C 473 33.561 33.194 0.367 1 1 2402 . 4 1 1 A 260 260 LYS N N 473 119.377 122.636 -3.259 1 1 2403 . 4 1 1 A 261 261 LEU H H 474 9.288 8.852 0.436 1 1 2404 . 4 1 1 A 261 261 LEU HA H 474 5.048 4.718 0.330 1 1 2414 . 4 1 1 A 261 261 LEU C C 474 172.558 174.841 -2.283 1 1 2415 . 4 1 1 A 261 261 LEU CA C 474 53.327 54.152 -0.825 1 1 2416 . 4 1 1 A 261 261 LEU CB C 474 44.313 42.835 1.478 1 1 2420 . 4 1 1 A 261 261 LEU N N 474 126.482 129.218 -2.736 1 1 2421 . 4 1 1 A 262 262 VAL H H 475 8.876 8.552 0.324 1 1 2422 . 4 1 1 A 262 262 VAL HA H 475 4.238 4.632 -0.394 1 1 2430 . 4 1 1 A 262 262 VAL C C 475 174.243 175.450 -1.207 1 1 2431 . 4 1 1 A 262 262 VAL CA C 475 59.734 61.564 -1.830 1 1 2432 . 4 1 1 A 262 262 VAL CB C 475 34.790 32.974 1.816 1 1 2435 . 4 1 1 A 262 262 VAL N N 475 124.316 127.431 -3.115 1 1 2436 . 4 1 1 A 263 263 PHE H H 476 8.826 8.533 0.293 1 1 2437 . 4 1 1 A 263 263 PHE HA H 476 5.518 5.025 0.493 1 1 2443 . 4 1 1 A 263 263 PHE C C 476 171.887 173.460 -1.573 1 1 2444 . 4 1 1 A 263 263 PHE CA C 476 52.082 55.085 -3.003 1 1 2445 . 4 1 1 A 263 263 PHE CB C 476 39.792 39.583 0.209 1 1 2449 . 4 1 1 A 263 263 PHE N N 476 122.867 125.983 -3.116 1 1 2450 . 4 1 1 A 264 264 PRO HA H 477 4.649 4.662 -0.013 1 1 2457 . 4 1 1 A 264 264 PRO C C 477 178.322 176.192 2.130 1 1 2458 . 4 1 1 A 264 264 PRO CA C 477 62.333 62.240 0.093 1 1 2459 . 4 1 1 A 264 264 PRO CB C 477 32.553 32.810 -0.257 1 1 2462 . 4 1 1 A 265 265 SER H H 478 8.763 8.219 0.544 1 1 2463 . 4 1 1 A 265 265 SER HA H 478 4.494 4.480 0.014 1 1 2466 . 4 1 1 A 265 265 SER C C 478 173.725 174.138 -0.413 1 1 2467 . 4 1 1 A 265 265 SER CA C 478 59.060 58.064 0.996 1 1 2468 . 4 1 1 A 265 265 SER CB C 478 64.038 63.593 0.445 1 1 2469 . 4 1 1 A 265 265 SER N N 478 116.725 113.181 3.544 1 1 17 . 5 1 1 A 12 12 VAL H H 225 7.819 8.562 -0.743 1 1 18 . 5 1 1 A 12 12 VAL HA H 225 4.946 3.699 1.247 1 1 26 . 5 1 1 A 12 12 VAL C C 225 175.898 177.349 -1.451 1 1 27 . 5 1 1 A 12 12 VAL CA C 225 59.650 66.693 -7.043 1 1 28 . 5 1 1 A 12 12 VAL CB C 225 35.296 32.211 3.085 1 1 31 . 5 1 1 A 12 12 VAL N N 225 117.637 124.948 -7.311 1 1 32 . 5 1 1 A 13 13 TYR H H 226 8.318 8.590 -0.272 1 1 33 . 5 1 1 A 13 13 TYR HA H 226 4.291 4.402 -0.111 1 1 36 . 5 1 1 A 13 13 TYR C C 226 176.911 177.464 -0.553 1 1 37 . 5 1 1 A 13 13 TYR CA C 226 60.063 59.971 0.092 1 1 38 . 5 1 1 A 13 13 TYR CB C 226 37.843 36.893 0.950 1 1 39 . 5 1 1 A 13 13 TYR N N 226 122.976 119.292 3.684 1 1 40 . 5 1 1 A 14 14 GLN H H 227 9.128 7.808 1.320 1 1 41 . 5 1 1 A 14 14 GLN HA H 227 3.996 3.848 0.148 1 1 46 . 5 1 1 A 14 14 GLN C C 227 175.052 175.670 -0.618 1 1 47 . 5 1 1 A 14 14 GLN CA C 227 57.421 57.575 -0.154 1 1 48 . 5 1 1 A 14 14 GLN CB C 227 29.550 29.246 0.304 1 1 50 . 5 1 1 A 14 14 GLN N N 227 124.676 120.179 4.497 1 1 51 . 5 1 1 A 15 15 MET H H 228 8.465 7.857 0.608 1 1 52 . 5 1 1 A 15 15 MET HA H 228 5.210 4.368 0.842 1 1 60 . 5 1 1 A 15 15 MET C C 228 172.979 176.293 -3.314 1 1 61 . 5 1 1 A 15 15 MET CA C 228 52.955 54.997 -2.042 1 1 62 . 5 1 1 A 15 15 MET CB C 228 30.751 32.055 -1.304 1 1 65 . 5 1 1 A 15 15 MET N N 228 128.835 115.426 13.409 1 1 66 . 5 1 1 A 16 16 LYS H H 229 9.119 8.574 0.545 1 1 67 . 5 1 1 A 16 16 LYS HA H 229 4.558 4.676 -0.118 1 1 76 . 5 1 1 A 16 16 LYS C C 229 176.209 175.774 0.435 1 1 77 . 5 1 1 A 16 16 LYS CA C 229 55.916 54.631 1.285 1 1 78 . 5 1 1 A 16 16 LYS CB C 229 35.555 35.640 -0.085 1 1 82 . 5 1 1 A 16 16 LYS N N 229 120.235 125.394 -5.159 1 1 83 . 5 1 1 A 17 17 SER H H 230 9.101 8.649 0.452 1 1 84 . 5 1 1 A 17 17 SER HA H 230 4.077 4.079 -0.002 1 1 87 . 5 1 1 A 17 17 SER C C 230 172.995 172.638 0.357 1 1 88 . 5 1 1 A 17 17 SER CA C 230 59.615 59.405 0.210 1 1 89 . 5 1 1 A 17 17 SER CB C 230 64.482 61.930 2.552 1 1 90 . 5 1 1 A 17 17 SER N N 230 121.500 112.849 8.651 1 1 91 . 5 1 1 A 18 18 LYS H H 231 8.120 7.760 0.360 1 1 92 . 5 1 1 A 18 18 LYS HA H 231 4.373 4.791 -0.418 1 1 101 . 5 1 1 A 18 18 LYS C C 231 173.565 174.927 -1.362 1 1 102 . 5 1 1 A 18 18 LYS CA C 231 53.231 53.001 0.230 1 1 103 . 5 1 1 A 18 18 LYS CB C 231 34.596 33.176 1.420 1 1 107 . 5 1 1 A 18 18 LYS N N 231 120.561 120.537 0.024 1 1 108 . 5 1 1 A 19 19 PRO HA H 232 4.898 4.806 0.092 1 1 115 . 5 1 1 A 19 19 PRO C C 232 176.162 176.979 -0.817 1 1 116 . 5 1 1 A 19 19 PRO CA C 232 62.838 62.500 0.338 1 1 117 . 5 1 1 A 19 19 PRO CB C 232 34.997 32.731 2.266 1 1 120 . 5 1 1 A 20 20 ARG H H 233 8.782 8.780 0.002 1 1 121 . 5 1 1 A 20 20 ARG HA H 233 3.651 3.808 -0.157 1 1 122 . 5 1 1 A 20 20 ARG C C 233 175.210 175.420 -0.210 1 1 123 . 5 1 1 A 20 20 ARG CA C 233 56.621 57.714 -1.093 1 1 124 . 5 1 1 A 20 20 ARG CB C 233 30.581 27.686 2.895 1 1 127 . 5 1 1 A 20 20 ARG N N 233 118.785 115.856 2.929 1 1 128 . 5 1 1 A 21 21 GLY H H 234 6.490 7.920 -1.430 1 1 129 . 5 1 1 A 21 21 GLY HA2 H 234 4.312 2.904 1.408 1 1 130 . 5 1 1 A 21 21 GLY HA3 H 234 4.662 3.200 1.462 1 1 131 . 5 1 1 A 21 21 GLY C C 234 172.012 172.824 -0.812 1 1 132 . 5 1 1 A 21 21 GLY CA C 234 43.743 45.548 -1.805 1 1 133 . 5 1 1 A 21 21 GLY N N 234 128.529 105.971 22.558 1 1 134 . 5 1 1 A 22 22 TYR H H 235 9.327 8.146 1.181 1 1 135 . 5 1 1 A 22 22 TYR HA H 235 5.260 4.825 0.435 1 1 140 . 5 1 1 A 22 22 TYR C C 235 173.931 174.827 -0.896 1 1 141 . 5 1 1 A 22 22 TYR CA C 235 58.287 58.393 -0.106 1 1 142 . 5 1 1 A 22 22 TYR CB C 235 39.762 38.906 0.856 1 1 145 . 5 1 1 A 22 22 TYR N N 235 119.429 124.819 -5.390 1 1 146 . 5 1 1 A 23 23 CYS H H 236 8.665 8.419 0.246 1 1 147 . 5 1 1 A 23 23 CYS HA H 236 4.928 4.488 0.440 1 1 148 . 5 1 1 A 23 23 CYS C C 236 172.970 172.610 0.360 1 1 149 . 5 1 1 A 23 23 CYS CA C 236 55.636 57.314 -1.678 1 1 150 . 5 1 1 A 23 23 CYS CB C 236 50.040 29.929 20.111 1 1 151 . 5 1 1 A 23 23 CYS N N 236 120.485 123.406 -2.921 1 1 152 . 5 1 1 A 24 24 LEU H H 237 8.619 8.583 0.036 1 1 153 . 5 1 1 A 24 24 LEU HA H 237 4.691 5.097 -0.406 1 1 163 . 5 1 1 A 24 24 LEU C C 237 175.850 175.813 0.037 1 1 164 . 5 1 1 A 24 24 LEU CA C 237 54.053 53.751 0.302 1 1 165 . 5 1 1 A 24 24 LEU CB C 237 44.117 43.113 1.004 1 1 169 . 5 1 1 A 24 24 LEU N N 237 129.465 126.870 2.595 1 1 170 . 5 1 1 A 25 25 ILE H H 238 8.304 8.503 -0.199 1 1 171 . 5 1 1 A 25 25 ILE HA H 238 4.639 4.796 -0.157 1 1 179 . 5 1 1 A 25 25 ILE C C 238 174.032 174.467 -0.435 1 1 180 . 5 1 1 A 25 25 ILE CA C 238 60.879 60.520 0.359 1 1 181 . 5 1 1 A 25 25 ILE CB C 238 41.165 41.851 -0.686 1 1 185 . 5 1 1 A 25 25 ILE N N 238 122.597 123.817 -1.220 1 1 186 . 5 1 1 A 26 26 ILE H H 239 9.025 9.026 -0.001 1 1 187 . 5 1 1 A 26 26 ILE HA H 239 4.778 4.958 -0.180 1 1 197 . 5 1 1 A 26 26 ILE C C 239 173.104 174.966 -1.862 1 1 198 . 5 1 1 A 26 26 ILE CA C 239 60.733 59.686 1.047 1 1 199 . 5 1 1 A 26 26 ILE CB C 239 38.237 40.626 -2.389 1 1 203 . 5 1 1 A 26 26 ILE N N 239 129.303 126.869 2.434 1 1 204 . 5 1 1 A 27 27 ASN H H 240 8.957 9.120 -0.163 1 1 205 . 5 1 1 A 27 27 ASN HA H 240 5.174 5.621 -0.447 1 1 208 . 5 1 1 A 27 27 ASN C C 240 172.948 173.579 -0.631 1 1 209 . 5 1 1 A 27 27 ASN CA C 240 52.055 51.784 0.271 1 1 210 . 5 1 1 A 27 27 ASN CB C 240 40.530 42.757 -2.227 1 1 211 . 5 1 1 A 27 27 ASN N N 240 125.494 124.688 0.806 1 1 212 . 5 1 1 A 28 28 ASN H H 241 9.118 9.036 0.082 1 1 213 . 5 1 1 A 28 28 ASN HA H 241 5.106 5.580 -0.474 1 1 216 . 5 1 1 A 28 28 ASN C C 241 172.184 175.109 -2.925 1 1 217 . 5 1 1 A 28 28 ASN CA C 241 52.599 51.465 1.134 1 1 218 . 5 1 1 A 28 28 ASN CB C 241 38.296 42.813 -4.517 1 1 219 . 5 1 1 A 28 28 ASN N N 241 125.089 119.267 5.822 1 1 220 . 5 1 1 A 29 29 HIS H H 242 9.512 8.844 0.668 1 1 221 . 5 1 1 A 29 29 HIS HA H 242 4.384 4.787 -0.403 1 1 224 . 5 1 1 A 29 29 HIS C C 242 173.519 175.448 -1.929 1 1 225 . 5 1 1 A 29 29 HIS CA C 242 59.174 57.611 1.563 1 1 226 . 5 1 1 A 29 29 HIS CB C 242 28.022 31.935 -3.913 1 1 227 . 5 1 1 A 29 29 HIS N N 242 125.634 121.041 4.593 1 1 228 . 5 1 1 A 30 30 ASN H H 243 8.623 7.904 0.719 1 1 229 . 5 1 1 A 30 30 ASN HA H 243 4.148 5.000 -0.852 1 1 234 . 5 1 1 A 30 30 ASN C C 243 175.052 175.972 -0.920 1 1 235 . 5 1 1 A 30 30 ASN CA C 243 53.229 52.517 0.712 1 1 236 . 5 1 1 A 30 30 ASN CB C 243 38.980 36.799 2.181 1 1 237 . 5 1 1 A 30 30 ASN N N 243 119.059 116.245 2.814 1 1 239 . 5 1 1 A 31 31 PHE H H 244 8.676 7.960 0.716 1 1 240 . 5 1 1 A 31 31 PHE HA H 244 4.686 4.742 -0.056 1 1 243 . 5 1 1 A 31 31 PHE C C 244 174.399 177.003 -2.604 1 1 244 . 5 1 1 A 31 31 PHE CA C 244 57.688 57.200 0.488 1 1 245 . 5 1 1 A 31 31 PHE CB C 244 39.026 39.481 -0.455 1 1 246 . 5 1 1 A 31 31 PHE N N 244 124.091 120.578 3.513 1 1 247 . 5 1 1 A 32 32 ALA H H 245 8.244 7.594 0.650 1 1 248 . 5 1 1 A 32 32 ALA HA H 245 3.869 3.760 0.109 1 1 252 . 5 1 1 A 32 32 ALA C C 245 180.452 178.380 2.072 1 1 253 . 5 1 1 A 32 32 ALA CA C 245 56.274 54.369 1.905 1 1 254 . 5 1 1 A 32 32 ALA CB C 245 18.181 18.409 -0.228 1 1 255 . 5 1 1 A 32 32 ALA N N 245 122.713 124.113 -1.400 1 1 256 . 5 1 1 A 33 33 LYS H H 246 8.964 7.815 1.149 1 1 257 . 5 1 1 A 33 33 LYS HA H 246 4.089 4.415 -0.326 1 1 266 . 5 1 1 A 33 33 LYS C C 246 177.441 178.086 -0.645 1 1 267 . 5 1 1 A 33 33 LYS CA C 246 58.632 56.411 2.221 1 1 268 . 5 1 1 A 33 33 LYS CB C 246 30.418 33.992 -3.574 1 1 272 . 5 1 1 A 33 33 LYS N N 246 116.888 115.616 1.272 1 1 273 . 5 1 1 A 34 34 ALA H H 247 7.088 8.418 -1.330 1 1 274 . 5 1 1 A 34 34 ALA HA H 247 3.752 4.082 -0.330 1 1 278 . 5 1 1 A 34 34 ALA C C 247 177.581 179.637 -2.056 1 1 279 . 5 1 1 A 34 34 ALA CA C 247 55.502 54.969 0.533 1 1 280 . 5 1 1 A 34 34 ALA CB C 247 18.099 18.575 -0.476 1 1 281 . 5 1 1 A 34 34 ALA N N 247 122.047 122.958 -0.911 1 1 282 . 5 1 1 A 35 35 ARG H H 248 7.706 8.012 -0.306 1 1 283 . 5 1 1 A 35 35 ARG HA H 248 4.338 4.245 0.093 1 1 292 . 5 1 1 A 35 35 ARG C C 248 179.094 177.930 1.164 1 1 293 . 5 1 1 A 35 35 ARG CA C 248 56.283 59.188 -2.905 1 1 294 . 5 1 1 A 35 35 ARG CB C 248 30.668 29.972 0.696 1 1 297 . 5 1 1 A 35 35 ARG N N 248 112.008 117.110 -5.102 1 1 299 . 5 1 1 A 36 36 GLU H H 249 7.707 7.438 0.269 1 1 300 . 5 1 1 A 36 36 GLU HA H 249 4.121 4.240 -0.119 1 1 305 . 5 1 1 A 36 36 GLU C C 249 178.205 179.243 -1.038 1 1 306 . 5 1 1 A 36 36 GLU CA C 249 58.194 58.547 -0.353 1 1 307 . 5 1 1 A 36 36 GLU CB C 249 30.596 30.217 0.379 1 1 309 . 5 1 1 A 36 36 GLU N N 249 116.945 119.262 -2.317 1 1 310 . 5 1 1 A 37 37 LYS H H 250 7.954 7.190 0.764 1 1 311 . 5 1 1 A 37 37 LYS HA H 250 4.381 3.908 0.473 1 1 320 . 5 1 1 A 37 37 LYS C C 250 176.772 176.753 0.019 1 1 321 . 5 1 1 A 37 37 LYS CA C 250 57.323 58.684 -1.361 1 1 322 . 5 1 1 A 37 37 LYS CB C 250 34.892 32.816 2.076 1 1 326 . 5 1 1 A 37 37 LYS N N 250 114.798 119.459 -4.661 1 1 327 . 5 1 1 A 38 38 VAL H H 251 8.298 7.970 0.328 1 1 328 . 5 1 1 A 38 38 VAL HA H 251 4.582 4.347 0.235 1 1 336 . 5 1 1 A 38 38 VAL C C 251 174.903 174.542 0.361 1 1 337 . 5 1 1 A 38 38 VAL CA C 251 60.316 58.425 1.891 1 1 338 . 5 1 1 A 38 38 VAL CB C 251 32.374 34.225 -1.851 1 1 341 . 5 1 1 A 38 38 VAL N N 251 120.907 116.090 4.817 1 1 342 . 5 1 1 A 40 40 LYS H H 253 8.588 8.095 0.493 1 1 343 . 5 1 1 A 40 40 LYS HA H 253 4.275 4.108 0.167 1 1 352 . 5 1 1 A 40 40 LYS C C 253 176.447 179.437 -2.990 1 1 353 . 5 1 1 A 40 40 LYS CA C 253 58.550 59.702 -1.152 1 1 354 . 5 1 1 A 40 40 LYS CB C 253 31.568 32.375 -0.807 1 1 358 . 5 1 1 A 40 40 LYS N N 253 113.861 118.742 -4.881 1 1 359 . 5 1 1 A 41 41 LEU H H 254 7.948 8.441 -0.493 1 1 360 . 5 1 1 A 41 41 LEU HA H 254 4.391 4.218 0.173 1 1 370 . 5 1 1 A 41 41 LEU C C 254 175.989 178.771 -2.782 1 1 371 . 5 1 1 A 41 41 LEU CA C 254 53.279 56.466 -3.187 1 1 372 . 5 1 1 A 41 41 LEU CB C 254 40.369 41.526 -1.157 1 1 376 . 5 1 1 A 41 41 LEU N N 254 118.998 119.254 -0.256 1 1 377 . 5 1 1 A 42 42 HIS H H 255 7.167 8.222 -1.055 1 1 378 . 5 1 1 A 42 42 HIS HA H 255 4.376 4.355 0.021 1 1 382 . 5 1 1 A 42 42 HIS C C 255 174.836 177.494 -2.658 1 1 383 . 5 1 1 A 42 42 HIS CA C 255 59.188 58.909 0.279 1 1 384 . 5 1 1 A 42 42 HIS CB C 255 30.311 29.957 0.354 1 1 386 . 5 1 1 A 42 42 HIS N N 255 116.251 120.198 -3.947 1 1 387 . 5 1 1 A 43 43 SER H H 256 7.735 7.422 0.313 1 1 388 . 5 1 1 A 43 43 SER HA H 256 4.490 4.083 0.407 1 1 391 . 5 1 1 A 43 43 SER C C 256 174.045 173.916 0.129 1 1 392 . 5 1 1 A 43 43 SER CA C 256 56.420 60.465 -4.045 1 1 393 . 5 1 1 A 43 43 SER CB C 256 64.093 63.660 0.433 1 1 394 . 5 1 1 A 43 43 SER N N 256 110.725 113.265 -2.540 1 1 395 . 5 1 1 A 44 44 ILE H H 257 7.403 6.708 0.695 1 1 396 . 5 1 1 A 44 44 ILE HA H 257 3.806 4.034 -0.228 1 1 406 . 5 1 1 A 44 44 ILE C C 257 174.321 175.570 -1.249 1 1 407 . 5 1 1 A 44 44 ILE CA C 257 61.640 60.937 0.703 1 1 408 . 5 1 1 A 44 44 ILE CB C 257 38.324 38.449 -0.125 1 1 412 . 5 1 1 A 44 44 ILE N N 257 124.717 117.966 6.751 1 1 413 . 5 1 1 A 45 45 ARG H H 258 8.043 8.789 -0.746 1 1 414 . 5 1 1 A 45 45 ARG HA H 258 4.201 3.897 0.304 1 1 421 . 5 1 1 A 45 45 ARG C C 258 177.535 176.139 1.396 1 1 422 . 5 1 1 A 45 45 ARG CA C 258 55.412 56.773 -1.361 1 1 423 . 5 1 1 A 45 45 ARG CB C 258 31.546 28.902 2.644 1 1 426 . 5 1 1 A 45 45 ARG N N 258 124.319 121.976 2.343 1 1 427 . 5 1 1 A 46 46 ASP H H 259 8.584 7.868 0.716 1 1 428 . 5 1 1 A 46 46 ASP HA H 259 5.096 4.294 0.802 1 1 431 . 5 1 1 A 46 46 ASP C C 259 177.819 175.774 2.045 1 1 432 . 5 1 1 A 46 46 ASP CA C 259 55.248 56.996 -1.748 1 1 433 . 5 1 1 A 46 46 ASP CB C 259 39.614 41.163 -1.549 1 1 434 . 5 1 1 A 46 46 ASP N N 259 120.371 120.842 -0.471 1 1 435 . 5 1 1 A 47 47 ARG H H 260 8.632 7.685 0.947 1 1 442 . 5 1 1 A 47 47 ARG CA C 260 56.228 54.072 2.156 1 1 443 . 5 1 1 A 47 47 ARG CB C 260 26.981 34.830 -7.849 1 1 445 . 5 1 1 A 47 47 ARG N N 260 123.120 116.596 6.524 1 1 447 . 5 1 1 A 51 51 HIS HA H 264 4.293 4.413 -0.120 1 1 451 . 5 1 1 A 51 51 HIS C C 264 178.002 175.045 2.957 1 1 452 . 5 1 1 A 51 51 HIS CA C 264 60.062 57.214 2.848 1 1 453 . 5 1 1 A 51 51 HIS CB C 264 29.109 27.644 1.465 1 1 455 . 5 1 1 A 52 52 LEU H H 265 7.474 7.922 -0.448 1 1 456 . 5 1 1 A 52 52 LEU HA H 265 4.125 4.062 0.063 1 1 466 . 5 1 1 A 52 52 LEU C C 265 180.623 178.711 1.912 1 1 467 . 5 1 1 A 52 52 LEU CA C 265 56.921 56.824 0.097 1 1 468 . 5 1 1 A 52 52 LEU CB C 265 40.572 42.274 -1.702 1 1 472 . 5 1 1 A 52 52 LEU N N 265 122.692 120.583 2.109 1 1 473 . 5 1 1 A 53 53 ASP H H 266 6.993 8.059 -1.066 1 1 474 . 5 1 1 A 53 53 ASP C C 266 176.536 178.221 -1.685 1 1 475 . 5 1 1 A 53 53 ASP CA C 266 56.718 56.914 -0.196 1 1 476 . 5 1 1 A 53 53 ASP CB C 266 39.787 40.871 -1.084 1 1 477 . 5 1 1 A 53 53 ASP N N 266 122.192 119.867 2.325 1 1 478 . 5 1 1 A 54 54 ALA H H 267 8.217 8.274 -0.057 1 1 479 . 5 1 1 A 54 54 ALA HA H 267 3.840 4.115 -0.275 1 1 483 . 5 1 1 A 54 54 ALA C C 267 180.507 180.184 0.323 1 1 484 . 5 1 1 A 54 54 ALA CA C 267 55.836 54.956 0.880 1 1 485 . 5 1 1 A 54 54 ALA CB C 267 17.386 18.620 -1.234 1 1 486 . 5 1 1 A 54 54 ALA N N 267 121.612 121.956 -0.344 1 1 487 . 5 1 1 A 55 55 GLY H H 268 8.481 8.103 0.378 1 1 488 . 5 1 1 A 55 55 GLY C C 268 174.929 176.319 -1.390 1 1 489 . 5 1 1 A 55 55 GLY CA C 268 46.546 47.024 -0.478 1 1 490 . 5 1 1 A 55 55 GLY N N 268 107.453 106.108 1.345 1 1 491 . 5 1 1 A 56 56 ALA H H 269 7.759 8.073 -0.314 1 1 492 . 5 1 1 A 56 56 ALA HA H 269 4.190 4.044 0.146 1 1 496 . 5 1 1 A 56 56 ALA C C 269 180.493 180.238 0.255 1 1 497 . 5 1 1 A 56 56 ALA CA C 269 55.311 54.545 0.766 1 1 498 . 5 1 1 A 56 56 ALA CB C 269 17.951 18.392 -0.441 1 1 499 . 5 1 1 A 56 56 ALA N N 269 125.518 124.622 0.896 1 1 500 . 5 1 1 A 57 57 LEU H H 270 8.224 7.931 0.293 1 1 501 . 5 1 1 A 57 57 LEU HA H 270 3.840 4.157 -0.317 1 1 506 . 5 1 1 A 57 57 LEU C C 270 177.499 179.129 -1.630 1 1 507 . 5 1 1 A 57 57 LEU CA C 270 58.315 57.797 0.518 1 1 508 . 5 1 1 A 57 57 LEU CB C 270 43.182 42.148 1.034 1 1 511 . 5 1 1 A 57 57 LEU N N 270 121.610 120.344 1.266 1 1 512 . 5 1 1 A 58 58 THR H H 271 7.976 8.003 -0.027 1 1 513 . 5 1 1 A 58 58 THR HA H 271 4.432 4.050 0.382 1 1 518 . 5 1 1 A 58 58 THR C C 271 174.457 176.435 -1.978 1 1 519 . 5 1 1 A 58 58 THR CA C 271 68.788 66.768 2.020 1 1 520 . 5 1 1 A 58 58 THR CB C 271 67.557 68.589 -1.032 1 1 522 . 5 1 1 A 58 58 THR N N 271 115.528 115.984 -0.456 1 1 523 . 5 1 1 A 59 59 THR H H 272 8.085 8.901 -0.816 1 1 524 . 5 1 1 A 59 59 THR HA H 272 3.911 4.016 -0.105 1 1 529 . 5 1 1 A 59 59 THR C C 272 176.131 177.100 -0.969 1 1 530 . 5 1 1 A 59 59 THR CA C 272 65.908 65.108 0.800 1 1 531 . 5 1 1 A 59 59 THR CB C 272 69.045 68.868 0.177 1 1 533 . 5 1 1 A 59 59 THR N N 272 114.864 114.288 0.576 1 1 534 . 5 1 1 A 60 60 THR H H 273 7.875 7.965 -0.090 1 1 535 . 5 1 1 A 60 60 THR HA H 273 3.423 3.971 -0.548 1 1 540 . 5 1 1 A 60 60 THR C C 273 175.166 175.966 -0.800 1 1 541 . 5 1 1 A 60 60 THR CA C 273 67.291 66.682 0.609 1 1 542 . 5 1 1 A 60 60 THR CB C 273 68.824 68.901 -0.077 1 1 544 . 5 1 1 A 60 60 THR N N 273 116.718 117.434 -0.716 1 1 545 . 5 1 1 A 61 61 PHE H H 274 8.219 7.831 0.388 1 1 546 . 5 1 1 A 61 61 PHE HA H 274 4.213 4.613 -0.400 1 1 552 . 5 1 1 A 61 61 PHE C C 274 178.034 178.169 -0.135 1 1 553 . 5 1 1 A 61 61 PHE CA C 274 63.308 60.895 2.413 1 1 554 . 5 1 1 A 61 61 PHE CB C 274 37.080 40.111 -3.031 1 1 558 . 5 1 1 A 61 61 PHE N N 274 114.721 117.722 -3.001 1 1 559 . 5 1 1 A 62 62 GLU H H 275 8.810 8.645 0.165 1 1 560 . 5 1 1 A 62 62 GLU HA H 275 4.416 4.058 0.358 1 1 565 . 5 1 1 A 62 62 GLU C C 275 181.232 178.990 2.242 1 1 566 . 5 1 1 A 62 62 GLU CA C 275 60.190 59.700 0.490 1 1 567 . 5 1 1 A 62 62 GLU CB C 275 28.990 28.995 -0.005 1 1 569 . 5 1 1 A 62 62 GLU N N 275 123.787 121.303 2.484 1 1 570 . 5 1 1 A 63 63 GLU H H 276 7.698 8.991 -1.293 1 1 571 . 5 1 1 A 63 63 GLU HA H 276 3.871 4.056 -0.185 1 1 575 . 5 1 1 A 63 63 GLU C C 276 176.721 177.209 -0.488 1 1 576 . 5 1 1 A 63 63 GLU CA C 276 58.821 58.775 0.046 1 1 577 . 5 1 1 A 63 63 GLU CB C 276 29.251 28.442 0.809 1 1 579 . 5 1 1 A 63 63 GLU N N 276 120.707 117.873 2.834 1 1 580 . 5 1 1 A 64 64 LEU H H 277 6.708 7.610 -0.902 1 1 581 . 5 1 1 A 64 64 LEU HA H 277 4.148 4.051 0.097 1 1 589 . 5 1 1 A 64 64 LEU C C 277 174.571 175.785 -1.214 1 1 590 . 5 1 1 A 64 64 LEU CA C 277 54.060 54.529 -0.469 1 1 594 . 5 1 1 A 64 64 LEU N N 277 115.451 118.454 -3.003 1 1 595 . 5 1 1 A 65 65 HIS H H 278 7.388 8.085 -0.697 1 1 596 . 5 1 1 A 65 65 HIS HA H 278 4.259 4.030 0.229 1 1 599 . 5 1 1 A 65 65 HIS C C 278 174.571 173.758 0.813 1 1 600 . 5 1 1 A 65 65 HIS CA C 278 57.737 56.456 1.281 1 1 601 . 5 1 1 A 65 65 HIS CB C 278 26.020 28.045 -2.025 1 1 602 . 5 1 1 A 65 65 HIS N N 278 107.287 116.716 -9.429 1 1 603 . 5 1 1 A 66 66 PHE H H 279 8.554 7.335 1.219 1 1 604 . 5 1 1 A 66 66 PHE HA H 279 4.462 4.874 -0.412 1 1 610 . 5 1 1 A 66 66 PHE C C 279 174.258 174.588 -0.330 1 1 611 . 5 1 1 A 66 66 PHE CA C 279 58.032 56.842 1.190 1 1 612 . 5 1 1 A 66 66 PHE CB C 279 39.809 43.095 -3.286 1 1 616 . 5 1 1 A 66 66 PHE N N 279 117.992 117.934 0.058 1 1 617 . 5 1 1 A 67 67 GLU H H 280 8.403 8.703 -0.300 1 1 618 . 5 1 1 A 67 67 GLU HA H 280 4.631 4.739 -0.108 1 1 621 . 5 1 1 A 67 67 GLU C C 280 174.640 175.192 -0.552 1 1 622 . 5 1 1 A 67 67 GLU CA C 280 55.467 55.777 -0.310 1 1 623 . 5 1 1 A 67 67 GLU CB C 280 30.671 29.956 0.715 1 1 625 . 5 1 1 A 67 67 GLU N N 280 120.980 120.507 0.473 1 1 626 . 5 1 1 A 68 68 ILE H H 281 8.988 8.906 0.082 1 1 627 . 5 1 1 A 68 68 ILE HA H 281 4.491 4.868 -0.377 1 1 636 . 5 1 1 A 68 68 ILE C C 281 176.177 175.126 1.051 1 1 637 . 5 1 1 A 68 68 ILE CA C 281 59.688 60.216 -0.528 1 1 638 . 5 1 1 A 68 68 ILE CB C 281 35.090 40.534 -5.444 1 1 642 . 5 1 1 A 68 68 ILE N N 281 127.994 126.454 1.540 1 1 643 . 5 1 1 A 69 69 LYS H H 282 8.559 8.497 0.062 1 1 644 . 5 1 1 A 69 69 LYS HA H 282 4.981 5.005 -0.024 1 1 645 . 5 1 1 A 69 69 LYS CA C 282 50.465 53.456 -2.991 1 1 646 . 5 1 1 A 69 69 LYS CB C 282 32.762 33.365 -0.603 1 1 649 . 5 1 1 A 69 69 LYS N N 282 126.350 126.691 -0.341 1 1 650 . 5 1 1 A 70 70 PRO HA H 283 5.133 4.993 0.140 1 1 651 . 5 1 1 A 70 70 PRO C C 283 176.378 176.736 -0.358 1 1 652 . 5 1 1 A 70 70 PRO CA C 283 62.027 62.392 -0.365 1 1 653 . 5 1 1 A 70 70 PRO CB C 283 32.856 29.822 3.034 1 1 655 . 5 1 1 A 71 71 HIS H H 284 8.967 8.653 0.314 1 1 656 . 5 1 1 A 71 71 HIS HA H 284 4.465 4.813 -0.348 1 1 660 . 5 1 1 A 71 71 HIS C C 284 172.714 175.445 -2.731 1 1 661 . 5 1 1 A 71 71 HIS CA C 284 55.994 56.574 -0.580 1 1 662 . 5 1 1 A 71 71 HIS CB C 284 33.678 30.477 3.201 1 1 664 . 5 1 1 A 71 71 HIS N N 284 121.708 122.665 -0.957 1 1 665 . 5 1 1 A 72 72 ASP H H 285 8.625 8.789 -0.164 1 1 666 . 5 1 1 A 72 72 ASP HA H 285 5.695 4.822 0.873 1 1 669 . 5 1 1 A 72 72 ASP C C 285 175.881 174.975 0.906 1 1 670 . 5 1 1 A 72 72 ASP CA C 285 53.201 53.503 -0.302 1 1 671 . 5 1 1 A 72 72 ASP CB C 285 43.758 42.327 1.431 1 1 672 . 5 1 1 A 72 72 ASP N N 285 122.941 121.721 1.220 1 1 673 . 5 1 1 A 73 73 ASP H H 286 9.212 8.712 0.500 1 1 674 . 5 1 1 A 73 73 ASP HA H 286 4.263 4.779 -0.516 1 1 676 . 5 1 1 A 73 73 ASP C C 286 174.368 176.199 -1.831 1 1 677 . 5 1 1 A 73 73 ASP CA C 286 56.488 54.878 1.610 1 1 678 . 5 1 1 A 73 73 ASP CB C 286 39.083 40.734 -1.651 1 1 679 . 5 1 1 A 73 73 ASP N N 286 119.175 121.168 -1.993 1 1 680 . 5 1 1 A 74 74 CYS H H 287 8.750 8.878 -0.128 1 1 681 . 5 1 1 A 74 74 CYS HA H 287 4.854 5.127 -0.273 1 1 684 . 5 1 1 A 74 74 CYS C C 287 176.146 174.105 2.041 1 1 685 . 5 1 1 A 74 74 CYS CA C 287 58.552 58.087 0.465 1 1 686 . 5 1 1 A 74 74 CYS CB C 287 53.204 29.926 23.278 1 1 687 . 5 1 1 A 74 74 CYS N N 287 119.631 123.938 -4.307 1 1 688 . 5 1 1 A 75 75 THR H H 288 8.535 8.762 -0.227 1 1 689 . 5 1 1 A 75 75 THR HA H 288 4.163 4.393 -0.230 1 1 694 . 5 1 1 A 75 75 THR C C 288 174.663 175.986 -1.323 1 1 695 . 5 1 1 A 75 75 THR CA C 288 61.353 61.950 -0.597 1 1 696 . 5 1 1 A 75 75 THR CB C 288 70.100 69.756 0.344 1 1 698 . 5 1 1 A 75 75 THR N N 288 115.998 121.509 -5.511 1 1 699 . 5 1 1 A 76 76 VAL H H 289 8.083 8.773 -0.690 1 1 700 . 5 1 1 A 76 76 VAL HA H 289 3.414 3.915 -0.501 1 1 708 . 5 1 1 A 76 76 VAL C C 289 176.443 177.427 -0.984 1 1 709 . 5 1 1 A 76 76 VAL CA C 289 69.066 65.306 3.760 1 1 710 . 5 1 1 A 76 76 VAL CB C 289 30.361 31.618 -1.257 1 1 713 . 5 1 1 A 76 76 VAL N N 289 120.599 125.488 -4.889 1 1 714 . 5 1 1 A 77 77 GLU H H 290 9.095 8.293 0.802 1 1 715 . 5 1 1 A 77 77 GLU HA H 290 4.027 3.789 0.238 1 1 720 . 5 1 1 A 77 77 GLU C C 290 179.172 178.988 0.184 1 1 721 . 5 1 1 A 77 77 GLU CA C 290 59.831 59.508 0.323 1 1 722 . 5 1 1 A 77 77 GLU CB C 290 29.493 28.999 0.494 1 1 724 . 5 1 1 A 77 77 GLU N N 290 119.191 122.569 -3.378 1 1 725 . 5 1 1 A 78 78 GLN H H 291 7.523 7.801 -0.278 1 1 726 . 5 1 1 A 78 78 GLN HA H 291 4.079 4.138 -0.059 1 1 731 . 5 1 1 A 78 78 GLN C C 291 177.815 178.423 -0.608 1 1 732 . 5 1 1 A 78 78 GLN CA C 291 58.920 58.351 0.569 1 1 734 . 5 1 1 A 78 78 GLN N N 291 117.101 118.713 -1.612 1 1 735 . 5 1 1 A 79 79 ILE H H 292 8.368 7.991 0.377 1 1 736 . 5 1 1 A 79 79 ILE HA H 292 3.427 3.723 -0.296 1 1 746 . 5 1 1 A 79 79 ILE C C 292 177.133 177.885 -0.752 1 1 747 . 5 1 1 A 79 79 ILE CA C 292 67.132 65.623 1.509 1 1 748 . 5 1 1 A 79 79 ILE CB C 292 37.163 37.989 -0.826 1 1 752 . 5 1 1 A 79 79 ILE N N 292 120.006 120.163 -0.157 1 1 753 . 5 1 1 A 80 80 TYR H H 293 8.302 8.166 0.136 1 1 754 . 5 1 1 A 80 80 TYR HA H 293 4.179 4.359 -0.180 1 1 759 . 5 1 1 A 80 80 TYR C C 293 178.907 178.382 0.525 1 1 760 . 5 1 1 A 80 80 TYR CA C 293 61.737 60.241 1.496 1 1 761 . 5 1 1 A 80 80 TYR CB C 293 37.201 37.895 -0.694 1 1 764 . 5 1 1 A 80 80 TYR N N 293 116.291 119.940 -3.649 1 1 765 . 5 1 1 A 81 81 GLU H H 294 8.170 8.595 -0.425 1 1 766 . 5 1 1 A 81 81 GLU HA H 294 4.036 4.200 -0.164 1 1 771 . 5 1 1 A 81 81 GLU C C 294 178.414 177.479 0.935 1 1 772 . 5 1 1 A 81 81 GLU CA C 294 59.768 58.614 1.154 1 1 773 . 5 1 1 A 81 81 GLU CB C 294 29.489 29.335 0.154 1 1 775 . 5 1 1 A 81 81 GLU N N 294 120.325 119.531 0.794 1 1 776 . 5 1 1 A 82 82 ILE H H 295 8.501 7.629 0.872 1 1 777 . 5 1 1 A 82 82 ILE HA H 295 3.675 3.773 -0.098 1 1 787 . 5 1 1 A 82 82 ILE C C 295 177.751 178.029 -0.278 1 1 788 . 5 1 1 A 82 82 ILE CA C 295 65.288 63.796 1.492 1 1 789 . 5 1 1 A 82 82 ILE CB C 295 38.497 37.908 0.589 1 1 793 . 5 1 1 A 82 82 ILE N N 295 120.434 118.579 1.855 1 1 794 . 5 1 1 A 83 83 LEU H H 296 8.508 8.009 0.499 1 1 795 . 5 1 1 A 83 83 LEU HA H 296 4.289 3.763 0.526 1 1 805 . 5 1 1 A 83 83 LEU C C 296 178.393 179.499 -1.106 1 1 806 . 5 1 1 A 83 83 LEU CA C 296 58.937 57.271 1.666 1 1 807 . 5 1 1 A 83 83 LEU CB C 296 39.626 41.297 -1.671 1 1 811 . 5 1 1 A 83 83 LEU N N 296 116.807 120.320 -3.513 1 1 812 . 5 1 1 A 84 84 LYS H H 297 8.048 7.690 0.358 1 1 813 . 5 1 1 A 84 84 LYS HA H 297 3.967 3.944 0.023 1 1 820 . 5 1 1 A 84 84 LYS C C 297 177.773 178.850 -1.077 1 1 821 . 5 1 1 A 84 84 LYS CA C 297 58.890 58.903 -0.013 1 1 822 . 5 1 1 A 84 84 LYS CB C 297 31.169 31.671 -0.502 1 1 826 . 5 1 1 A 84 84 LYS N N 297 118.687 118.107 0.580 1 1 827 . 5 1 1 A 85 85 ILE H H 298 7.694 7.639 0.055 1 1 828 . 5 1 1 A 85 85 ILE HA H 298 3.456 3.564 -0.108 1 1 838 . 5 1 1 A 85 85 ILE C C 298 179.100 177.841 1.259 1 1 839 . 5 1 1 A 85 85 ILE CA C 298 65.307 65.131 0.176 1 1 840 . 5 1 1 A 85 85 ILE CB C 298 36.965 37.652 -0.687 1 1 844 . 5 1 1 A 85 85 ILE N N 298 118.157 120.538 -2.381 1 1 845 . 5 1 1 A 86 86 TYR H H 299 7.613 7.330 0.283 1 1 846 . 5 1 1 A 86 86 TYR HA H 299 4.103 4.484 -0.381 1 1 851 . 5 1 1 A 86 86 TYR C C 299 177.425 178.160 -0.735 1 1 852 . 5 1 1 A 86 86 TYR CA C 299 63.129 60.567 2.562 1 1 853 . 5 1 1 A 86 86 TYR CB C 299 38.745 37.904 0.841 1 1 856 . 5 1 1 A 86 86 TYR N N 299 115.499 119.793 -4.294 1 1 857 . 5 1 1 A 87 87 GLN H H 300 9.112 8.005 1.107 1 1 858 . 5 1 1 A 87 87 GLN HA H 300 3.977 4.066 -0.089 1 1 861 . 5 1 1 A 87 87 GLN C C 300 176.380 178.551 -2.171 1 1 862 . 5 1 1 A 87 87 GLN CA C 300 58.976 58.340 0.636 1 1 863 . 5 1 1 A 87 87 GLN CB C 300 28.819 28.423 0.396 1 1 865 . 5 1 1 A 87 87 GLN N N 300 125.039 121.055 3.984 1 1 866 . 5 1 1 A 88 88 LEU H H 301 7.536 8.395 -0.859 1 1 867 . 5 1 1 A 88 88 LEU HA H 301 4.309 4.037 0.272 1 1 877 . 5 1 1 A 88 88 LEU C C 301 177.129 180.060 -2.931 1 1 878 . 5 1 1 A 88 88 LEU CA C 301 55.142 57.619 -2.477 1 1 879 . 5 1 1 A 88 88 LEU CB C 301 41.809 41.334 0.475 1 1 883 . 5 1 1 A 88 88 LEU N N 301 115.623 119.723 -4.100 1 1 884 . 5 1 1 A 89 89 MET H H 302 7.025 7.930 -0.905 1 1 885 . 5 1 1 A 89 89 MET HA H 302 4.031 4.257 -0.226 1 1 893 . 5 1 1 A 89 89 MET C C 302 172.664 175.509 -2.845 1 1 894 . 5 1 1 A 89 89 MET CA C 302 55.513 58.807 -3.294 1 1 895 . 5 1 1 A 89 89 MET CB C 302 33.748 32.168 1.580 1 1 898 . 5 1 1 A 89 89 MET N N 302 120.789 118.811 1.978 1 1 899 . 5 1 1 A 90 90 ASP H H 303 8.056 7.935 0.121 1 1 900 . 5 1 1 A 90 90 ASP HA H 303 4.746 4.239 0.507 1 1 903 . 5 1 1 A 90 90 ASP C C 303 177.139 175.070 2.069 1 1 904 . 5 1 1 A 90 90 ASP CA C 303 54.411 55.464 -1.053 1 1 905 . 5 1 1 A 90 90 ASP CB C 303 40.987 39.336 1.651 1 1 906 . 5 1 1 A 90 90 ASP N N 303 117.873 116.335 1.538 1 1 907 . 5 1 1 A 91 91 HIS H H 304 9.371 7.812 1.559 1 1 908 . 5 1 1 A 91 91 HIS HA H 304 4.657 4.496 0.161 1 1 912 . 5 1 1 A 91 91 HIS C C 304 177.332 175.186 2.146 1 1 913 . 5 1 1 A 91 91 HIS CA C 304 56.031 55.566 0.465 1 1 914 . 5 1 1 A 91 91 HIS CB C 304 31.150 31.081 0.069 1 1 916 . 5 1 1 A 91 91 HIS N N 304 126.666 116.352 10.314 1 1 917 . 5 1 1 A 92 92 SER H H 305 8.952 8.945 0.007 1 1 918 . 5 1 1 A 92 92 SER HA H 305 4.055 4.706 -0.651 1 1 921 . 5 1 1 A 92 92 SER CA C 305 63.687 58.056 5.631 1 1 922 . 5 1 1 A 92 92 SER CB C 305 62.694 64.231 -1.537 1 1 923 . 5 1 1 A 92 92 SER N N 305 118.610 113.270 5.340 1 1 924 . 5 1 1 A 93 93 ASN H H 306 8.745 7.794 0.951 1 1 925 . 5 1 1 A 93 93 ASN HA H 306 4.803 5.310 -0.507 1 1 928 . 5 1 1 A 93 93 ASN C C 306 173.428 173.436 -0.008 1 1 929 . 5 1 1 A 93 93 ASN CA C 306 53.018 52.976 0.042 1 1 930 . 5 1 1 A 93 93 ASN CB C 306 38.033 40.279 -2.246 1 1 931 . 5 1 1 A 93 93 ASN N N 306 116.257 119.785 -3.528 1 1 932 . 5 1 1 A 94 94 MET H H 307 7.942 8.421 -0.479 1 1 933 . 5 1 1 A 94 94 MET HA H 307 4.683 4.870 -0.187 1 1 939 . 5 1 1 A 94 94 MET C C 307 174.640 175.519 -0.879 1 1 940 . 5 1 1 A 94 94 MET CA C 307 53.564 55.115 -1.551 1 1 941 . 5 1 1 A 94 94 MET CB C 307 33.988 32.720 1.268 1 1 944 . 5 1 1 A 94 94 MET N N 307 117.799 124.420 -6.621 1 1 945 . 5 1 1 A 95 95 ASP H H 308 8.276 8.837 -0.561 1 1 946 . 5 1 1 A 95 95 ASP HA H 308 5.172 4.636 0.536 1 1 949 . 5 1 1 A 95 95 ASP C C 308 176.264 176.180 0.084 1 1 950 . 5 1 1 A 95 95 ASP CA C 308 55.617 55.566 0.051 1 1 951 . 5 1 1 A 95 95 ASP CB C 308 45.114 41.189 3.925 1 1 952 . 5 1 1 A 95 95 ASP N N 308 119.567 124.441 -4.874 1 1 953 . 5 1 1 A 96 96 CYS H H 309 8.215 7.699 0.516 1 1 954 . 5 1 1 A 96 96 CYS HA H 309 4.680 4.904 -0.224 1 1 957 . 5 1 1 A 96 96 CYS C C 309 170.157 172.760 -2.603 1 1 958 . 5 1 1 A 96 96 CYS CA C 309 57.203 57.454 -0.251 1 1 959 . 5 1 1 A 96 96 CYS CB C 309 52.974 30.409 22.565 1 1 960 . 5 1 1 A 96 96 CYS N N 309 118.264 115.535 2.729 1 1 961 . 5 1 1 A 97 97 PHE H H 310 8.108 8.811 -0.703 1 1 962 . 5 1 1 A 97 97 PHE HA H 310 5.071 4.932 0.139 1 1 967 . 5 1 1 A 97 97 PHE C C 310 171.279 173.181 -1.902 1 1 968 . 5 1 1 A 97 97 PHE CA C 310 57.910 57.786 0.124 1 1 969 . 5 1 1 A 97 97 PHE CB C 310 44.724 42.619 2.105 1 1 972 . 5 1 1 A 97 97 PHE N N 310 125.767 126.647 -0.880 1 1 973 . 5 1 1 A 98 98 ILE H H 311 7.647 7.691 -0.044 1 1 974 . 5 1 1 A 98 98 ILE HA H 311 4.581 4.643 -0.062 1 1 984 . 5 1 1 A 98 98 ILE C C 311 172.012 174.188 -2.176 1 1 985 . 5 1 1 A 98 98 ILE CA C 311 58.312 59.610 -1.298 1 1 986 . 5 1 1 A 98 98 ILE CB C 311 39.964 42.325 -2.361 1 1 990 . 5 1 1 A 98 98 ILE N N 311 125.102 124.437 0.665 1 1 991 . 5 1 1 A 99 99 CYS H H 312 8.309 8.543 -0.234 1 1 992 . 5 1 1 A 99 99 CYS HA H 312 4.471 4.811 -0.340 1 1 993 . 5 1 1 A 99 99 CYS C C 312 171.965 173.810 -1.845 1 1 994 . 5 1 1 A 99 99 CYS CA C 312 56.347 57.061 -0.714 1 1 995 . 5 1 1 A 99 99 CYS CB C 312 51.093 28.852 22.241 1 1 996 . 5 1 1 A 99 99 CYS N N 312 124.548 126.675 -2.127 1 1 997 . 5 1 1 A 100 100 CYS H H 313 9.116 8.547 0.569 1 1 998 . 5 1 1 A 100 100 CYS HA H 313 5.880 5.187 0.693 1 1 1001 . 5 1 1 A 100 100 CYS C C 313 173.635 174.395 -0.760 1 1 1002 . 5 1 1 A 100 100 CYS CA C 313 55.906 57.790 -1.884 1 1 1003 . 5 1 1 A 100 100 CYS CB C 313 52.685 29.423 23.262 1 1 1004 . 5 1 1 A 100 100 CYS N N 313 127.015 125.812 1.203 1 1 1005 . 5 1 1 A 101 101 ILE H H 314 8.896 8.618 0.278 1 1 1006 . 5 1 1 A 101 101 ILE HA H 314 4.737 4.602 0.135 1 1 1016 . 5 1 1 A 101 101 ILE C C 314 172.277 176.863 -4.586 1 1 1017 . 5 1 1 A 101 101 ILE CA C 314 60.937 60.687 0.250 1 1 1018 . 5 1 1 A 101 101 ILE CB C 314 40.848 39.780 1.068 1 1 1022 . 5 1 1 A 101 101 ILE N N 314 121.994 123.516 -1.522 1 1 1023 . 5 1 1 A 102 102 LEU H H 315 8.951 8.764 0.187 1 1 1024 . 5 1 1 A 102 102 LEU HA H 315 5.285 4.309 0.976 1 1 1029 . 5 1 1 A 102 102 LEU C C 315 174.789 177.404 -2.615 1 1 1030 . 5 1 1 A 102 102 LEU CA C 315 52.489 57.475 -4.986 1 1 1031 . 5 1 1 A 102 102 LEU CB C 315 40.041 42.271 -2.230 1 1 1034 . 5 1 1 A 102 102 LEU N N 315 127.404 125.028 2.376 1 1 1035 . 5 1 1 A 103 103 SER H H 316 9.096 7.807 1.289 1 1 1036 . 5 1 1 A 103 103 SER HA H 316 4.680 4.513 0.167 1 1 1039 . 5 1 1 A 103 103 SER C C 316 174.555 175.696 -1.141 1 1 1040 . 5 1 1 A 103 103 SER CA C 316 56.403 57.340 -0.937 1 1 1041 . 5 1 1 A 103 103 SER CB C 316 63.224 65.203 -1.979 1 1 1042 . 5 1 1 A 103 103 SER N N 316 113.273 115.136 -1.863 1 1 1043 . 5 1 1 A 104 104 HIS H H 317 7.515 8.707 -1.192 1 1 1044 . 5 1 1 A 104 104 HIS HA H 317 5.214 4.391 0.823 1 1 1048 . 5 1 1 A 104 104 HIS C C 317 175.667 175.948 -0.281 1 1 1049 . 5 1 1 A 104 104 HIS CA C 317 56.371 58.217 -1.846 1 1 1050 . 5 1 1 A 104 104 HIS CB C 317 34.676 30.417 4.259 1 1 1052 . 5 1 1 A 104 104 HIS N N 317 114.740 118.213 -3.473 1 1 1053 . 5 1 1 A 105 105 GLY H H 318 8.368 7.221 1.147 1 1 1054 . 5 1 1 A 105 105 GLY C C 318 169.470 174.714 -5.244 1 1 1055 . 5 1 1 A 105 105 GLY CA C 318 45.558 46.843 -1.285 1 1 1056 . 5 1 1 A 105 105 GLY N N 318 107.330 108.586 -1.256 1 1 1057 . 5 1 1 A 106 106 ASP H H 319 7.943 8.314 -0.371 1 1 1058 . 5 1 1 A 106 106 ASP HA H 319 4.622 4.285 0.337 1 1 1061 . 5 1 1 A 106 106 ASP C C 319 175.179 176.274 -1.095 1 1 1062 . 5 1 1 A 106 106 ASP CA C 319 53.188 56.540 -3.352 1 1 1063 . 5 1 1 A 106 106 ASP CB C 319 43.555 41.108 2.447 1 1 1064 . 5 1 1 A 106 106 ASP N N 319 116.893 118.059 -1.166 1 1 1065 . 5 1 1 A 107 107 LYS H H 320 9.376 7.461 1.915 1 1 1066 . 5 1 1 A 107 107 LYS HA H 320 3.956 3.846 0.110 1 1 1075 . 5 1 1 A 107 107 LYS C C 320 176.864 176.492 0.372 1 1 1076 . 5 1 1 A 107 107 LYS CA C 320 58.567 54.810 3.757 1 1 1077 . 5 1 1 A 107 107 LYS CB C 320 30.568 33.194 -2.626 1 1 1081 . 5 1 1 A 107 107 LYS N N 320 122.539 117.836 4.703 1 1 1082 . 5 1 1 A 108 108 GLY H H 321 9.025 7.861 1.164 1 1 1083 . 5 1 1 A 108 108 GLY C C 321 173.633 175.061 -1.428 1 1 1084 . 5 1 1 A 108 108 GLY CA C 321 45.491 46.947 -1.456 1 1 1085 . 5 1 1 A 108 108 GLY N N 321 111.919 108.184 3.735 1 1 1086 . 5 1 1 A 109 109 ILE H H 322 8.157 7.829 0.328 1 1 1087 . 5 1 1 A 109 109 ILE HA H 322 4.994 3.952 1.042 1 1 1097 . 5 1 1 A 109 109 ILE C C 322 174.524 175.989 -1.465 1 1 1098 . 5 1 1 A 109 109 ILE CA C 322 59.009 61.510 -2.501 1 1 1099 . 5 1 1 A 109 109 ILE CB C 322 43.375 38.266 5.109 1 1 1103 . 5 1 1 A 109 109 ILE N N 322 116.465 120.075 -3.610 1 1 1104 . 5 1 1 A 110 110 ILE H H 323 8.443 8.361 0.082 1 1 1105 . 5 1 1 A 110 110 ILE HA H 323 4.530 3.730 0.800 1 1 1115 . 5 1 1 A 110 110 ILE C C 323 174.337 175.214 -0.877 1 1 1116 . 5 1 1 A 110 110 ILE CA C 323 58.547 60.648 -2.101 1 1 1117 . 5 1 1 A 110 110 ILE CB C 323 41.604 38.970 2.634 1 1 1121 . 5 1 1 A 110 110 ILE N N 323 116.661 123.811 -7.150 1 1 1122 . 5 1 1 A 111 111 TYR H H 324 8.584 8.259 0.325 1 1 1123 . 5 1 1 A 111 111 TYR HA H 324 5.557 4.826 0.731 1 1 1128 . 5 1 1 A 111 111 TYR C C 324 178.528 176.178 2.350 1 1 1129 . 5 1 1 A 111 111 TYR CA C 324 56.571 57.934 -1.363 1 1 1130 . 5 1 1 A 111 111 TYR CB C 324 39.984 39.845 0.139 1 1 1133 . 5 1 1 A 111 111 TYR N N 324 119.472 123.428 -3.956 1 1 1134 . 5 1 1 A 112 112 GLY H H 325 8.522 8.288 0.234 1 1 1135 . 5 1 1 A 112 112 GLY C C 325 174.755 173.942 0.813 1 1 1136 . 5 1 1 A 112 112 GLY CA C 325 43.145 45.554 -2.409 1 1 1137 . 5 1 1 A 112 112 GLY N N 325 107.078 109.576 -2.498 1 1 1138 . 5 1 1 A 113 113 THR H H 326 8.245 8.129 0.116 1 1 1139 . 5 1 1 A 113 113 THR HA H 326 3.186 4.894 -1.708 1 1 1144 . 5 1 1 A 113 113 THR C C 326 173.264 174.835 -1.571 1 1 1145 . 5 1 1 A 113 113 THR CA C 326 64.857 59.948 4.909 1 1 1146 . 5 1 1 A 113 113 THR CB C 326 66.749 71.829 -5.080 1 1 1148 . 5 1 1 A 113 113 THR N N 326 113.146 112.989 0.157 1 1 1149 . 5 1 1 A 114 114 ASP H H 327 8.801 9.207 -0.406 1 1 1150 . 5 1 1 A 114 114 ASP HA H 327 4.099 4.382 -0.283 1 1 1153 . 5 1 1 A 114 114 ASP C C 327 176.262 177.939 -1.677 1 1 1154 . 5 1 1 A 114 114 ASP CA C 327 52.768 57.054 -4.286 1 1 1155 . 5 1 1 A 114 114 ASP CB C 327 39.312 39.990 -0.678 1 1 1156 . 5 1 1 A 114 114 ASP N N 327 112.026 122.626 -10.600 1 1 1157 . 5 1 1 A 115 115 GLY H H 328 8.462 8.247 0.215 1 1 1158 . 5 1 1 A 115 115 GLY HA2 H 328 4.010 4.039 -0.029 1 1 1159 . 5 1 1 A 115 115 GLY HA3 H 328 4.010 4.094 -0.084 1 1 1160 . 5 1 1 A 115 115 GLY C C 328 171.918 173.774 -1.856 1 1 1161 . 5 1 1 A 115 115 GLY CA C 328 45.463 47.260 -1.797 1 1 1162 . 5 1 1 A 115 115 GLY N N 328 107.749 106.723 1.026 1 1 1163 . 5 1 1 A 116 116 GLN H H 329 6.657 8.187 -1.530 1 1 1164 . 5 1 1 A 116 116 GLN HA H 329 4.441 5.242 -0.801 1 1 1170 . 5 1 1 A 116 116 GLN C C 329 174.196 174.325 -0.129 1 1 1171 . 5 1 1 A 116 116 GLN CA C 329 55.204 54.332 0.872 1 1 1172 . 5 1 1 A 116 116 GLN CB C 329 28.541 32.173 -3.632 1 1 1174 . 5 1 1 A 116 116 GLN N N 329 115.146 117.717 -2.571 1 1 1176 . 5 1 1 A 117 117 GLU H H 330 8.624 8.771 -0.147 1 1 1177 . 5 1 1 A 117 117 GLU HA H 330 4.733 4.897 -0.164 1 1 1178 . 5 1 1 A 117 117 GLU C C 330 175.357 174.423 0.934 1 1 1179 . 5 1 1 A 117 117 GLU CA C 330 55.191 55.686 -0.495 1 1 1180 . 5 1 1 A 117 117 GLU CB C 330 32.586 33.868 -1.282 1 1 1182 . 5 1 1 A 117 117 GLU N N 330 119.031 120.536 -1.505 1 1 1183 . 5 1 1 A 118 118 ALA H H 331 8.995 8.657 0.338 1 1 1184 . 5 1 1 A 118 118 ALA HA H 331 5.165 4.835 0.330 1 1 1188 . 5 1 1 A 118 118 ALA C C 331 173.650 175.437 -1.787 1 1 1189 . 5 1 1 A 118 118 ALA CA C 331 48.343 50.304 -1.961 1 1 1190 . 5 1 1 A 118 118 ALA CB C 331 20.353 20.243 0.110 1 1 1191 . 5 1 1 A 118 118 ALA N N 331 123.550 125.389 -1.839 1 1 1192 . 5 1 1 A 119 119 PRO HA H 332 4.819 4.724 0.095 1 1 1193 . 5 1 1 A 119 119 PRO C C 332 177.819 178.173 -0.354 1 1 1194 . 5 1 1 A 119 119 PRO CA C 332 62.007 62.915 -0.908 1 1 1195 . 5 1 1 A 119 119 PRO CB C 332 32.081 32.601 -0.520 1 1 1197 . 5 1 1 A 120 120 ILE H H 333 8.574 9.150 -0.576 1 1 1198 . 5 1 1 A 120 120 ILE HA H 333 3.278 3.965 -0.687 1 1 1206 . 5 1 1 A 120 120 ILE C C 333 177.316 177.405 -0.089 1 1 1207 . 5 1 1 A 120 120 ILE CA C 333 66.025 63.916 2.109 1 1 1208 . 5 1 1 A 120 120 ILE CB C 333 37.991 37.918 0.073 1 1 1212 . 5 1 1 A 120 120 ILE N N 333 126.740 125.398 1.342 1 1 1213 . 5 1 1 A 121 121 TYR H H 334 9.192 8.053 1.139 1 1 1214 . 5 1 1 A 121 121 TYR HA H 334 3.942 4.434 -0.492 1 1 1219 . 5 1 1 A 121 121 TYR C C 334 177.847 177.116 0.731 1 1 1220 . 5 1 1 A 121 121 TYR CA C 334 60.688 61.659 -0.971 1 1 1221 . 5 1 1 A 121 121 TYR CB C 334 38.803 37.540 1.263 1 1 1224 . 5 1 1 A 121 121 TYR N N 334 117.479 121.049 -3.570 1 1 1225 . 5 1 1 A 122 122 GLU H H 335 7.178 8.371 -1.193 1 1 1226 . 5 1 1 A 122 122 GLU HA H 335 3.751 4.413 -0.662 1 1 1228 . 5 1 1 A 122 122 GLU C C 335 176.427 178.619 -2.192 1 1 1229 . 5 1 1 A 122 122 GLU CA C 335 58.378 57.823 0.555 1 1 1230 . 5 1 1 A 122 122 GLU CB C 335 29.477 30.406 -0.929 1 1 1232 . 5 1 1 A 122 122 GLU N N 335 115.885 120.400 -4.515 1 1 1233 . 5 1 1 A 123 123 LEU H H 336 7.440 7.769 -0.329 1 1 1234 . 5 1 1 A 123 123 LEU HA H 336 4.123 3.873 0.250 1 1 1244 . 5 1 1 A 123 123 LEU C C 336 177.925 179.284 -1.359 1 1 1245 . 5 1 1 A 123 123 LEU CA C 336 56.646 57.875 -1.229 1 1 1246 . 5 1 1 A 123 123 LEU CB C 336 40.661 42.142 -1.481 1 1 1250 . 5 1 1 A 123 123 LEU N N 336 115.934 120.660 -4.726 1 1 1251 . 5 1 1 A 124 124 THR H H 337 8.009 8.300 -0.291 1 1 1252 . 5 1 1 A 124 124 THR HA H 337 3.597 4.437 -0.840 1 1 1257 . 5 1 1 A 124 124 THR C C 337 177.568 176.865 0.703 1 1 1258 . 5 1 1 A 124 124 THR CA C 337 64.110 64.026 0.084 1 1 1259 . 5 1 1 A 124 124 THR CB C 337 67.603 68.554 -0.951 1 1 1261 . 5 1 1 A 124 124 THR N N 337 107.827 109.194 -1.367 1 1 1262 . 5 1 1 A 125 125 SER H H 338 7.435 8.093 -0.658 1 1 1263 . 5 1 1 A 125 125 SER HA H 338 3.723 4.023 -0.300 1 1 1266 . 5 1 1 A 125 125 SER C C 338 174.040 176.242 -2.202 1 1 1267 . 5 1 1 A 125 125 SER CA C 338 60.514 61.225 -0.711 1 1 1268 . 5 1 1 A 125 125 SER CB C 338 62.391 63.123 -0.732 1 1 1269 . 5 1 1 A 125 125 SER N N 338 112.670 117.282 -4.612 1 1 1270 . 5 1 1 A 126 126 GLN H H 339 7.071 7.670 -0.599 1 1 1271 . 5 1 1 A 126 126 GLN HA H 339 3.850 4.074 -0.224 1 1 1276 . 5 1 1 A 126 126 GLN C C 339 173.915 176.848 -2.933 1 1 1277 . 5 1 1 A 126 126 GLN CA C 339 56.106 56.999 -0.893 1 1 1278 . 5 1 1 A 126 126 GLN CB C 339 27.028 27.907 -0.879 1 1 1280 . 5 1 1 A 126 126 GLN N N 339 117.347 118.889 -1.542 1 1 1281 . 5 1 1 A 127 127 PHE H H 340 7.355 8.331 -0.976 1 1 1282 . 5 1 1 A 127 127 PHE HA H 340 4.515 4.756 -0.241 1 1 1285 . 5 1 1 A 127 127 PHE C C 340 175.241 175.738 -0.497 1 1 1286 . 5 1 1 A 127 127 PHE CA C 340 57.914 57.063 0.851 1 1 1287 . 5 1 1 A 127 127 PHE CB C 340 38.496 39.057 -0.561 1 1 1288 . 5 1 1 A 127 127 PHE N N 340 110.412 115.889 -5.477 1 1 1289 . 5 1 1 A 128 128 THR H H 341 6.785 7.075 -0.290 1 1 1290 . 5 1 1 A 128 128 THR HA H 341 4.294 4.254 0.040 1 1 1295 . 5 1 1 A 128 128 THR C C 341 174.727 176.349 -1.622 1 1 1296 . 5 1 1 A 128 128 THR CA C 341 62.016 63.552 -1.536 1 1 1297 . 5 1 1 A 128 128 THR CB C 341 69.757 69.605 0.152 1 1 1299 . 5 1 1 A 128 128 THR N N 341 107.455 115.162 -7.707 1 1 1300 . 5 1 1 A 129 129 GLY H H 342 10.506 8.840 1.666 1 1 1301 . 5 1 1 A 129 129 GLY HA2 H 342 3.841 3.889 -0.048 1 1 1302 . 5 1 1 A 129 129 GLY HA3 H 342 3.648 3.895 -0.247 1 1 1303 . 5 1 1 A 129 129 GLY C C 342 175.631 174.747 0.884 1 1 1304 . 5 1 1 A 129 129 GLY CA C 342 47.056 46.701 0.355 1 1 1305 . 5 1 1 A 129 129 GLY N N 342 111.023 114.103 -3.080 1 1 1306 . 5 1 1 A 130 130 LEU H H 343 8.003 7.879 0.124 1 1 1307 . 5 1 1 A 130 130 LEU HA H 343 4.135 4.357 -0.222 1 1 1317 . 5 1 1 A 130 130 LEU C C 343 178.627 177.273 1.354 1 1 1318 . 5 1 1 A 130 130 LEU CA C 343 56.606 55.230 1.376 1 1 1319 . 5 1 1 A 130 130 LEU CB C 343 42.399 42.204 0.195 1 1 1323 . 5 1 1 A 130 130 LEU N N 343 116.983 120.165 -3.182 1 1 1324 . 5 1 1 A 131 131 LYS H H 344 6.961 8.043 -1.082 1 1 1325 . 5 1 1 A 131 131 LYS HA H 344 4.001 4.433 -0.432 1 1 1333 . 5 1 1 A 131 131 LYS C C 344 176.224 176.995 -0.771 1 1 1334 . 5 1 1 A 131 131 LYS CA C 344 57.534 56.679 0.855 1 1 1335 . 5 1 1 A 131 131 LYS CB C 344 33.404 35.093 -1.689 1 1 1339 . 5 1 1 A 131 131 LYS N N 344 116.907 116.028 0.879 1 1 1340 . 5 1 1 A 132 132 CYS H H 345 8.564 8.147 0.417 1 1 1341 . 5 1 1 A 132 132 CYS HA H 345 4.930 4.794 0.136 1 1 1344 . 5 1 1 A 132 132 CYS C C 345 172.261 172.839 -0.578 1 1 1345 . 5 1 1 A 132 132 CYS CA C 345 56.566 57.011 -0.445 1 1 1346 . 5 1 1 A 132 132 CYS CB C 345 49.011 27.890 21.121 1 1 1347 . 5 1 1 A 132 132 CYS N N 345 117.718 116.332 1.386 1 1 1348 . 5 1 1 A 133 133 PRO HA H 346 4.719 4.374 0.345 1 1 1354 . 5 1 1 A 133 133 PRO C C 346 179.500 178.067 1.433 1 1 1355 . 5 1 1 A 133 133 PRO CA C 346 62.681 64.425 -1.744 1 1 1356 . 5 1 1 A 133 133 PRO CB C 346 34.366 32.050 2.316 1 1 1359 . 5 1 1 A 134 134 SER H H 347 8.896 8.385 0.511 1 1 1360 . 5 1 1 A 134 134 SER HA H 347 4.415 4.142 0.273 1 1 1363 . 5 1 1 A 134 134 SER C C 347 174.434 175.455 -1.021 1 1 1364 . 5 1 1 A 134 134 SER CA C 347 60.509 61.561 -1.052 1 1 1365 . 5 1 1 A 134 134 SER CB C 347 62.207 62.967 -0.760 1 1 1366 . 5 1 1 A 134 134 SER N N 347 112.882 114.207 -1.325 1 1 1367 . 5 1 1 A 135 135 LEU H H 348 7.549 7.187 0.362 1 1 1368 . 5 1 1 A 135 135 LEU HA H 348 4.466 4.425 0.041 1 1 1378 . 5 1 1 A 135 135 LEU C C 348 176.458 177.410 -0.952 1 1 1379 . 5 1 1 A 135 135 LEU CA C 348 53.787 54.594 -0.807 1 1 1380 . 5 1 1 A 135 135 LEU CB C 348 44.189 42.392 1.797 1 1 1384 . 5 1 1 A 135 135 LEU N N 348 118.501 118.165 0.336 1 1 1385 . 5 1 1 A 136 136 ALA H H 349 7.776 7.745 0.031 1 1 1386 . 5 1 1 A 136 136 ALA HA H 349 4.056 4.358 -0.302 1 1 1390 . 5 1 1 A 136 136 ALA C C 349 178.620 179.648 -1.028 1 1 1391 . 5 1 1 A 136 136 ALA CA C 349 54.406 53.730 0.676 1 1 1392 . 5 1 1 A 136 136 ALA CB C 349 17.934 19.349 -1.415 1 1 1393 . 5 1 1 A 136 136 ALA N N 349 125.801 121.893 3.908 1 1 1394 . 5 1 1 A 137 137 GLY H H 350 9.371 8.245 1.126 1 1 1395 . 5 1 1 A 137 137 GLY C C 350 173.026 174.326 -1.300 1 1 1396 . 5 1 1 A 137 137 GLY CA C 350 45.132 45.407 -0.275 1 1 1397 . 5 1 1 A 137 137 GLY N N 350 111.181 105.884 5.297 1 1 1398 . 5 1 1 A 138 138 LYS H H 351 8.038 7.459 0.579 1 1 1399 . 5 1 1 A 138 138 LYS HA H 351 4.660 4.541 0.119 1 1 1400 . 5 1 1 A 138 138 LYS C C 351 172.078 174.358 -2.280 1 1 1401 . 5 1 1 A 138 138 LYS CA C 351 52.728 53.934 -1.206 1 1 1402 . 5 1 1 A 138 138 LYS CB C 351 32.069 31.369 0.700 1 1 1404 . 5 1 1 A 138 138 LYS N N 351 119.821 120.244 -0.423 1 1 1405 . 5 1 1 A 139 139 PRO HA H 352 4.300 4.607 -0.307 1 1 1412 . 5 1 1 A 139 139 PRO C C 352 173.954 175.984 -2.030 1 1 1413 . 5 1 1 A 139 139 PRO CA C 352 62.595 62.976 -0.381 1 1 1414 . 5 1 1 A 139 139 PRO CB C 352 31.399 32.861 -1.462 1 1 1417 . 5 1 1 A 140 140 LYS H H 353 8.188 8.934 -0.746 1 1 1418 . 5 1 1 A 140 140 LYS HA H 353 4.610 4.902 -0.292 1 1 1419 . 5 1 1 A 140 140 LYS C C 353 173.494 175.409 -1.915 1 1 1420 . 5 1 1 A 140 140 LYS CA C 353 55.344 55.029 0.315 1 1 1421 . 5 1 1 A 140 140 LYS CB C 353 32.527 37.396 -4.869 1 1 1423 . 5 1 1 A 140 140 LYS N N 353 123.304 121.633 1.671 1 1 1424 . 5 1 1 A 141 141 VAL H H 354 8.344 8.102 0.242 1 1 1425 . 5 1 1 A 141 141 VAL HA H 354 4.533 4.856 -0.323 1 1 1433 . 5 1 1 A 141 141 VAL C C 354 172.277 174.488 -2.211 1 1 1434 . 5 1 1 A 141 141 VAL CA C 354 60.596 60.927 -0.331 1 1 1435 . 5 1 1 A 141 141 VAL CB C 354 33.580 34.599 -1.019 1 1 1438 . 5 1 1 A 141 141 VAL N N 354 122.550 121.276 1.274 1 1 1439 . 5 1 1 A 142 142 PHE H H 355 8.985 8.784 0.201 1 1 1440 . 5 1 1 A 142 142 PHE HA H 355 5.436 5.025 0.411 1 1 1441 . 5 1 1 A 142 142 PHE C C 355 173.666 174.757 -1.091 1 1 1442 . 5 1 1 A 142 142 PHE CA C 355 54.968 56.245 -1.277 1 1 1443 . 5 1 1 A 142 142 PHE CB C 355 42.877 40.698 2.179 1 1 1444 . 5 1 1 A 142 142 PHE N N 355 123.850 125.451 -1.601 1 1 1445 . 5 1 1 A 143 143 PHE H H 356 8.584 8.907 -0.323 1 1 1446 . 5 1 1 A 143 143 PHE HA H 356 5.934 5.001 0.933 1 1 1449 . 5 1 1 A 143 143 PHE C C 356 174.526 174.909 -0.383 1 1 1450 . 5 1 1 A 143 143 PHE CA C 356 55.909 57.405 -1.496 1 1 1451 . 5 1 1 A 143 143 PHE CB C 356 39.923 38.817 1.106 1 1 1454 . 5 1 1 A 143 143 PHE N N 356 119.801 124.053 -4.252 1 1 1455 . 5 1 1 A 144 144 ILE H H 357 9.020 9.056 -0.036 1 1 1456 . 5 1 1 A 144 144 ILE HA H 357 5.040 5.005 0.035 1 1 1466 . 5 1 1 A 144 144 ILE C C 357 173.323 174.509 -1.186 1 1 1467 . 5 1 1 A 144 144 ILE CA C 357 59.479 59.980 -0.501 1 1 1468 . 5 1 1 A 144 144 ILE CB C 357 40.898 41.312 -0.414 1 1 1472 . 5 1 1 A 144 144 ILE N N 357 121.194 125.524 -4.330 1 1 1473 . 5 1 1 A 145 145 GLN H H 358 8.856 8.809 0.047 1 1 1474 . 5 1 1 A 145 145 GLN HA H 358 4.670 4.850 -0.180 1 1 1475 . 5 1 1 A 145 145 GLN C C 358 171.591 176.112 -4.521 1 1 1476 . 5 1 1 A 145 145 GLN CA C 358 53.648 54.459 -0.811 1 1 1477 . 5 1 1 A 145 145 GLN CB C 358 30.373 30.447 -0.074 1 1 1479 . 5 1 1 A 145 145 GLN N N 358 128.880 128.378 0.502 1 1 1480 . 5 1 1 A 146 146 ALA H H 359 8.418 8.969 -0.551 1 1 1481 . 5 1 1 A 146 146 ALA HA H 359 5.247 4.686 0.561 1 1 1485 . 5 1 1 A 146 146 ALA C C 359 175.319 177.994 -2.675 1 1 1486 . 5 1 1 A 146 146 ALA CA C 359 50.243 51.734 -1.491 1 1 1487 . 5 1 1 A 146 146 ALA CB C 359 18.786 19.225 -0.439 1 1 1488 . 5 1 1 A 146 146 ALA N N 359 128.349 129.370 -1.021 1 1 1489 . 5 1 1 A 147 147 ALA H H 360 8.161 7.771 0.390 1 1 1490 . 5 1 1 A 147 147 ALA HA H 360 4.343 4.022 0.321 1 1 1494 . 5 1 1 A 147 147 ALA C C 360 177.238 179.672 -2.434 1 1 1495 . 5 1 1 A 147 147 ALA CA C 360 52.078 54.818 -2.740 1 1 1496 . 5 1 1 A 147 147 ALA CB C 360 20.003 18.496 1.507 1 1 1497 . 5 1 1 A 147 147 ALA N N 360 123.005 121.559 1.446 1 1 1498 . 5 1 1 A 148 148 GLN H H 361 8.461 7.784 0.677 1 1 1499 . 5 1 1 A 148 148 GLN HA H 361 4.663 4.022 0.641 1 1 1504 . 5 1 1 A 148 148 GLN C C 361 176.333 179.533 -3.200 1 1 1505 . 5 1 1 A 148 148 GLN CA C 361 55.760 58.713 -2.953 1 1 1506 . 5 1 1 A 148 148 GLN CB C 361 29.937 28.431 1.506 1 1 1508 . 5 1 1 A 148 148 GLN N N 361 120.296 117.580 2.716 1 1 1509 . 5 1 1 A 149 149 GLY H H 362 8.631 8.267 0.364 1 1 1510 . 5 1 1 A 149 149 GLY HA2 H 362 3.858 3.748 0.110 1 1 1511 . 5 1 1 A 149 149 GLY HA3 H 362 3.858 3.760 0.098 1 1 1512 . 5 1 1 A 149 149 GLY C C 362 172.022 174.649 -2.627 1 1 1513 . 5 1 1 A 149 149 GLY CA C 362 44.969 47.039 -2.070 1 1 1514 . 5 1 1 A 149 149 GLY N N 362 109.782 108.681 1.101 1 1 1515 . 5 1 1 A 150 150 ASP H H 363 7.566 7.766 -0.200 1 1 1516 . 5 1 1 A 150 150 ASP HA H 363 4.661 4.553 0.108 1 1 1519 . 5 1 1 A 150 150 ASP C C 363 174.446 175.369 -0.923 1 1 1520 . 5 1 1 A 150 150 ASP CA C 363 57.776 54.419 3.357 1 1 1521 . 5 1 1 A 150 150 ASP CB C 363 39.423 41.206 -1.783 1 1 1522 . 5 1 1 A 150 150 ASP N N 363 118.182 119.903 -1.721 1 1 1523 . 5 1 1 A 153 153 GLN HA H 366 4.665 4.438 0.227 1 1 1530 . 5 1 1 A 153 153 GLN CA C 366 53.779 55.062 -1.283 1 1 1531 . 5 1 1 A 153 153 GLN CB C 366 28.988 28.878 0.110 1 1 1534 . 5 1 1 A 155 155 GLY HA2 H 368 3.899 3.868 0.031 1 1 1535 . 5 1 1 A 155 155 GLY HA3 H 368 3.899 3.997 -0.098 1 1 1536 . 5 1 1 A 155 155 GLY CA C 368 45.013 44.931 0.082 1 1 1537 . 5 1 1 A 156 156 ILE H H 369 7.871 8.316 -0.445 1 1 1538 . 5 1 1 A 156 156 ILE HA H 369 4.428 4.258 0.170 1 1 1548 . 5 1 1 A 156 156 ILE C C 369 174.196 176.583 -2.387 1 1 1549 . 5 1 1 A 156 156 ILE CA C 369 58.676 59.995 -1.319 1 1 1550 . 5 1 1 A 156 156 ILE CB C 369 38.516 37.843 0.673 1 1 1554 . 5 1 1 A 156 156 ILE N N 369 120.958 117.582 3.376 1 1 1555 . 5 1 1 A 157 157 PRO HA H 370 4.386 4.527 -0.141 1 1 1562 . 5 1 1 A 157 157 PRO C C 370 176.218 176.972 -0.754 1 1 1563 . 5 1 1 A 157 157 PRO CA C 370 63.431 64.258 -0.827 1 1 1564 . 5 1 1 A 157 157 PRO CB C 370 31.913 31.741 0.172 1 1 1567 . 5 1 1 A 158 158 VAL H H 371 8.137 8.021 0.116 1 1 1568 . 5 1 1 A 158 158 VAL HA H 371 4.089 4.147 -0.058 1 1 1576 . 5 1 1 A 158 158 VAL C C 371 175.904 177.081 -1.177 1 1 1577 . 5 1 1 A 158 158 VAL CA C 371 62.121 61.888 0.233 1 1 1578 . 5 1 1 A 158 158 VAL CB C 371 32.958 31.925 1.033 1 1 1581 . 5 1 1 A 158 158 VAL N N 371 119.640 116.402 3.238 1 1 1582 . 5 1 1 A 159 159 GLU H H 372 8.523 7.675 0.848 1 1 1583 . 5 1 1 A 159 159 GLU HA H 372 4.345 4.054 0.291 1 1 1588 . 5 1 1 A 159 159 GLU C C 372 176.068 177.708 -1.640 1 1 1589 . 5 1 1 A 159 159 GLU CA C 372 56.474 59.172 -2.698 1 1 1590 . 5 1 1 A 159 159 GLU CB C 372 30.078 29.703 0.375 1 1 1592 . 5 1 1 A 159 159 GLU N N 372 123.765 122.419 1.346 1 1 1593 . 5 1 1 A 160 160 THR H H 373 8.096 7.611 0.485 1 1 1594 . 5 1 1 A 160 160 THR HA H 373 4.311 4.857 -0.546 1 1 1599 . 5 1 1 A 160 160 THR C C 373 173.701 174.028 -0.327 1 1 1600 . 5 1 1 A 160 160 THR CA C 373 61.845 60.644 1.201 1 1 1601 . 5 1 1 A 160 160 THR CB C 373 69.760 68.855 0.905 1 1 1603 . 5 1 1 A 160 160 THR N N 373 114.143 110.468 3.675 1 1 1604 . 5 1 1 A 161 161 ASP H H 374 8.387 8.933 -0.546 1 1 1605 . 5 1 1 A 161 161 ASP HA H 374 4.625 4.967 -0.342 1 1 1608 . 5 1 1 A 161 161 ASP C C 374 175.806 176.303 -0.497 1 1 1609 . 5 1 1 A 161 161 ASP CA C 374 54.478 55.703 -1.225 1 1 1610 . 5 1 1 A 161 161 ASP CB C 374 41.096 43.192 -2.096 1 1 1611 . 5 1 1 A 161 161 ASP N N 374 122.070 124.317 -2.247 1 1 1612 . 5 1 1 A 162 162 SER H H 375 8.175 7.943 0.232 1 1 1613 . 5 1 1 A 162 162 SER HA H 375 4.385 4.407 -0.022 1 1 1616 . 5 1 1 A 162 162 SER C C 375 174.169 172.563 1.606 1 1 1617 . 5 1 1 A 162 162 SER CA C 375 58.631 57.429 1.202 1 1 1618 . 5 1 1 A 162 162 SER CB C 375 63.814 61.444 2.370 1 1 1619 . 5 1 1 A 162 162 SER N N 375 115.346 113.970 1.376 1 1 1620 . 5 1 1 A 163 163 GLU H H 376 8.424 7.913 0.511 1 1 1621 . 5 1 1 A 163 163 GLU HA H 376 4.263 4.609 -0.346 1 1 1626 . 5 1 1 A 163 163 GLU C C 376 175.959 174.818 1.141 1 1 1627 . 5 1 1 A 163 163 GLU CA C 376 56.567 54.424 2.143 1 1 1628 . 5 1 1 A 163 163 GLU CB C 376 30.044 31.602 -1.558 1 1 1630 . 5 1 1 A 163 163 GLU N N 376 122.034 122.622 -0.588 1 1 1631 . 5 1 1 A 164 164 GLU H H 377 8.298 8.534 -0.236 1 1 1632 . 5 1 1 A 164 164 GLU HA H 377 4.224 4.281 -0.057 1 1 1637 . 5 1 1 A 164 164 GLU C C 377 175.816 177.664 -1.848 1 1 1638 . 5 1 1 A 164 164 GLU CA C 377 56.489 55.064 1.425 1 1 1639 . 5 1 1 A 164 164 GLU CB C 377 30.220 31.532 -1.312 1 1 1641 . 5 1 1 A 164 164 GLU N N 377 120.980 125.930 -4.950 1 1 1642 . 5 1 1 A 165 165 GLN H H 378 8.340 8.557 -0.217 1 1 1643 . 5 1 1 A 165 165 GLN HA H 378 4.563 4.121 0.442 1 1 1645 . 5 1 1 A 165 165 GLN C C 378 173.510 176.998 -3.488 1 1 1646 . 5 1 1 A 165 165 GLN CA C 378 53.530 60.699 -7.169 1 1 1647 . 5 1 1 A 165 165 GLN CB C 378 28.816 27.990 0.826 1 1 1649 . 5 1 1 A 165 165 GLN N N 378 121.693 122.927 -1.234 1 1 1650 . 5 1 1 A 166 166 PRO HA H 379 4.381 4.666 -0.285 1 1 1657 . 5 1 1 A 166 166 PRO C C 379 176.081 176.150 -0.069 1 1 1658 . 5 1 1 A 166 166 PRO CA C 379 63.260 62.376 0.884 1 1 1659 . 5 1 1 A 166 166 PRO CB C 379 32.010 29.094 2.916 1 1 1662 . 5 1 1 A 167 167 TYR H H 380 8.116 8.470 -0.354 1 1 1663 . 5 1 1 A 167 167 TYR HA H 380 4.513 4.756 -0.243 1 1 1668 . 5 1 1 A 167 167 TYR C C 380 174.992 176.213 -1.221 1 1 1669 . 5 1 1 A 167 167 TYR CA C 380 57.699 58.158 -0.459 1 1 1670 . 5 1 1 A 167 167 TYR CB C 380 38.344 38.999 -0.655 1 1 1673 . 5 1 1 A 167 167 TYR N N 380 119.531 123.934 -4.403 1 1 1674 . 5 1 1 A 168 168 LEU H H 381 7.953 9.052 -1.099 1 1 1675 . 5 1 1 A 168 168 LEU HA H 381 4.267 4.914 -0.647 1 1 1685 . 5 1 1 A 168 168 LEU C C 381 176.162 175.845 0.317 1 1 1686 . 5 1 1 A 168 168 LEU CA C 381 54.808 54.079 0.729 1 1 1687 . 5 1 1 A 168 168 LEU CB C 381 42.735 43.784 -1.049 1 1 1691 . 5 1 1 A 168 168 LEU N N 381 124.133 121.781 2.352 1 1 1692 . 5 1 1 A 169 169 GLU H H 382 8.190 8.997 -0.807 1 1 1693 . 5 1 1 A 169 169 GLU HA H 382 4.167 5.361 -1.194 1 1 1698 . 5 1 1 A 169 169 GLU C C 382 175.881 175.196 0.685 1 1 1699 . 5 1 1 A 169 169 GLU CA C 382 56.655 54.893 1.762 1 1 1700 . 5 1 1 A 169 169 GLU CB C 382 30.058 32.058 -2.000 1 1 1702 . 5 1 1 A 169 169 GLU N N 382 121.131 123.740 -2.609 1 1 1703 . 5 1 1 A 170 170 MET H H 383 8.214 8.695 -0.481 1 1 1704 . 5 1 1 A 170 170 MET HA H 383 4.377 5.118 -0.741 1 1 1709 . 5 1 1 A 170 170 MET C C 383 175.132 174.083 1.049 1 1 1710 . 5 1 1 A 170 170 MET CA C 383 55.606 54.569 1.037 1 1 1711 . 5 1 1 A 170 170 MET CB C 383 33.091 36.712 -3.621 1 1 1713 . 5 1 1 A 170 170 MET N N 383 120.601 124.207 -3.606 1 1 1714 . 5 1 1 A 171 171 ASP H H 384 8.358 8.921 -0.563 1 1 1715 . 5 1 1 A 171 171 ASP HA H 384 4.575 5.254 -0.679 1 1 1718 . 5 1 1 A 171 171 ASP C C 384 175.966 174.889 1.077 1 1 1719 . 5 1 1 A 171 171 ASP CA C 384 53.741 53.284 0.457 1 1 1720 . 5 1 1 A 171 171 ASP CB C 384 40.571 42.248 -1.677 1 1 1721 . 5 1 1 A 171 171 ASP N N 384 121.104 122.950 -1.846 1 1 1722 . 5 1 1 A 172 172 LEU H H 385 8.285 8.905 -0.620 1 1 1723 . 5 1 1 A 172 172 LEU HA H 385 4.305 5.002 -0.697 1 1 1733 . 5 1 1 A 172 172 LEU C C 385 177.140 176.149 0.991 1 1 1734 . 5 1 1 A 172 172 LEU CA C 385 55.122 54.155 0.967 1 1 1735 . 5 1 1 A 172 172 LEU CB C 385 41.851 44.486 -2.635 1 1 1739 . 5 1 1 A 172 172 LEU N N 385 123.115 125.251 -2.136 1 1 1740 . 5 1 1 A 173 173 SER H H 386 8.290 8.592 -0.302 1 1 1741 . 5 1 1 A 173 173 SER N N 386 115.101 117.533 -2.432 1 1 1742 . 5 1 1 A 176 176 GLN HA H 389 4.383 4.550 -0.167 1 1 1749 . 5 1 1 A 176 176 GLN CA C 389 55.991 55.660 0.331 1 1 1750 . 5 1 1 A 176 176 GLN CB C 389 29.280 30.725 -1.445 1 1 1753 . 5 1 1 A 177 177 THR H H 390 6.958 7.863 -0.905 1 1 1754 . 5 1 1 A 177 177 THR HA H 390 3.970 4.892 -0.922 1 1 1759 . 5 1 1 A 177 177 THR C C 390 172.764 173.932 -1.168 1 1 1760 . 5 1 1 A 177 177 THR CA C 390 62.221 61.043 1.178 1 1 1761 . 5 1 1 A 177 177 THR CB C 390 69.382 72.592 -3.210 1 1 1763 . 5 1 1 A 177 177 THR N N 390 115.463 113.858 1.605 1 1 1764 . 5 1 1 A 178 178 ARG H H 391 7.873 8.499 -0.626 1 1 1765 . 5 1 1 A 178 178 ARG C C 391 174.982 175.918 -0.936 1 1 1766 . 5 1 1 A 178 178 ARG CA C 391 55.266 56.376 -1.110 1 1 1767 . 5 1 1 A 178 178 ARG CB C 391 31.052 30.391 0.661 1 1 1769 . 5 1 1 A 178 178 ARG N N 391 122.116 124.345 -2.229 1 1 1770 . 5 1 1 A 179 179 TYR H H 392 8.812 8.916 -0.104 1 1 1771 . 5 1 1 A 179 179 TYR HA H 392 4.621 4.918 -0.297 1 1 1776 . 5 1 1 A 179 179 TYR C C 392 174.337 175.258 -0.921 1 1 1777 . 5 1 1 A 179 179 TYR CA C 392 57.444 57.554 -0.110 1 1 1778 . 5 1 1 A 179 179 TYR CB C 392 40.623 39.018 1.605 1 1 1781 . 5 1 1 A 179 179 TYR N N 392 118.296 125.487 -7.191 1 1 1782 . 5 1 1 A 180 180 ILE H H 393 7.254 7.548 -0.294 1 1 1783 . 5 1 1 A 180 180 ILE HA H 393 4.610 4.440 0.170 1 1 1793 . 5 1 1 A 180 180 ILE C C 393 171.654 175.871 -4.217 1 1 1794 . 5 1 1 A 180 180 ILE CA C 393 56.916 57.613 -0.697 1 1 1795 . 5 1 1 A 180 180 ILE CB C 393 39.736 39.332 0.404 1 1 1799 . 5 1 1 A 180 180 ILE N N 393 108.609 121.554 -12.945 1 1 1800 . 5 1 1 A 181 181 PRO HA H 394 4.709 4.142 0.567 1 1 1807 . 5 1 1 A 181 181 PRO C C 394 173.910 177.128 -3.218 1 1 1808 . 5 1 1 A 181 181 PRO CA C 394 62.144 64.816 -2.672 1 1 1809 . 5 1 1 A 181 181 PRO CB C 394 32.527 31.724 0.803 1 1 1812 . 5 1 1 A 182 182 ASP H H 395 8.296 8.112 0.184 1 1 1813 . 5 1 1 A 182 182 ASP HA H 395 4.665 4.273 0.392 1 1 1816 . 5 1 1 A 182 182 ASP C C 395 175.120 174.633 0.487 1 1 1817 . 5 1 1 A 182 182 ASP CA C 395 52.455 55.354 -2.899 1 1 1818 . 5 1 1 A 182 182 ASP CB C 395 38.742 39.545 -0.803 1 1 1819 . 5 1 1 A 182 182 ASP N N 395 120.042 118.842 1.200 1 1 1820 . 5 1 1 A 183 183 GLU H H 396 7.651 7.800 -0.149 1 1 1821 . 5 1 1 A 183 183 GLU HA H 396 4.492 4.731 -0.239 1 1 1826 . 5 1 1 A 183 183 GLU C C 396 173.702 176.366 -2.664 1 1 1827 . 5 1 1 A 183 183 GLU CA C 396 54.897 54.947 -0.050 1 1 1828 . 5 1 1 A 183 183 GLU CB C 396 32.509 32.384 0.125 1 1 1830 . 5 1 1 A 183 183 GLU N N 396 117.840 118.048 -0.208 1 1 1831 . 5 1 1 A 184 184 ALA H H 397 8.365 8.947 -0.582 1 1 1832 . 5 1 1 A 184 184 ALA HA H 397 4.394 4.396 -0.002 1 1 1836 . 5 1 1 A 184 184 ALA C C 397 175.829 177.388 -1.559 1 1 1837 . 5 1 1 A 184 184 ALA CA C 397 52.770 52.914 -0.144 1 1 1838 . 5 1 1 A 184 184 ALA CB C 397 20.682 18.715 1.967 1 1 1839 . 5 1 1 A 184 184 ALA N N 397 121.613 126.653 -5.040 1 1 1840 . 5 1 1 A 185 185 ASP H H 398 7.245 8.266 -1.021 1 1 1841 . 5 1 1 A 185 185 ASP HA H 398 4.092 4.761 -0.669 1 1 1844 . 5 1 1 A 185 185 ASP C C 398 172.730 175.119 -2.389 1 1 1845 . 5 1 1 A 185 185 ASP CA C 398 56.144 53.166 2.978 1 1 1846 . 5 1 1 A 185 185 ASP CB C 398 39.841 41.976 -2.135 1 1 1847 . 5 1 1 A 185 185 ASP N N 398 105.829 115.739 -9.910 1 1 1848 . 5 1 1 A 186 186 PHE H H 399 8.467 7.282 1.185 1 1 1849 . 5 1 1 A 186 186 PHE HA H 399 5.486 5.261 0.225 1 1 1852 . 5 1 1 A 186 186 PHE C C 399 176.218 174.341 1.877 1 1 1853 . 5 1 1 A 186 186 PHE CA C 399 57.959 56.464 1.495 1 1 1854 . 5 1 1 A 186 186 PHE CB C 399 44.529 43.500 1.029 1 1 1855 . 5 1 1 A 186 186 PHE N N 399 116.177 118.890 -2.713 1 1 1856 . 5 1 1 A 187 187 LEU H H 400 8.964 8.642 0.322 1 1 1857 . 5 1 1 A 187 187 LEU HA H 400 4.963 5.167 -0.204 1 1 1867 . 5 1 1 A 187 187 LEU C C 400 171.747 175.206 -3.459 1 1 1868 . 5 1 1 A 187 187 LEU CA C 400 55.422 54.013 1.409 1 1 1869 . 5 1 1 A 187 187 LEU CB C 400 45.641 44.565 1.076 1 1 1873 . 5 1 1 A 187 187 LEU N N 400 121.383 124.035 -2.652 1 1 1874 . 5 1 1 A 188 188 LEU H H 401 9.312 8.923 0.389 1 1 1875 . 5 1 1 A 188 188 LEU HA H 401 5.580 4.999 0.581 1 1 1885 . 5 1 1 A 188 188 LEU C C 401 173.853 174.936 -1.083 1 1 1886 . 5 1 1 A 188 188 LEU CA C 401 53.421 54.157 -0.736 1 1 1887 . 5 1 1 A 188 188 LEU CB C 401 45.403 45.876 -0.473 1 1 1891 . 5 1 1 A 188 188 LEU N N 401 128.151 127.292 0.859 1 1 1892 . 5 1 1 A 189 189 GLY H H 402 9.415 9.008 0.407 1 1 1893 . 5 1 1 A 189 189 GLY HA2 H 402 4.670 4.118 0.552 1 1 1894 . 5 1 1 A 189 189 GLY HA3 H 402 3.663 4.186 -0.523 1 1 1895 . 5 1 1 A 189 189 GLY C C 402 171.014 172.841 -1.827 1 1 1896 . 5 1 1 A 189 189 GLY CA C 402 44.967 47.143 -2.176 1 1 1897 . 5 1 1 A 189 189 GLY N N 402 115.881 114.096 1.785 1 1 1898 . 5 1 1 A 190 190 MET H H 403 8.118 8.746 -0.628 1 1 1899 . 5 1 1 A 190 190 MET HA H 403 5.314 5.316 -0.002 1 1 1907 . 5 1 1 A 190 190 MET C C 403 173.744 174.948 -1.204 1 1 1908 . 5 1 1 A 190 190 MET CA C 403 53.284 54.104 -0.820 1 1 1909 . 5 1 1 A 190 190 MET CB C 403 36.614 35.422 1.192 1 1 1912 . 5 1 1 A 190 190 MET N N 403 122.165 122.931 -0.766 1 1 1934 . 5 1 1 A 203 203 ALA H H 416 8.076 8.236 -0.160 1 1 1935 . 5 1 1 A 203 203 ALA HA H 416 4.228 4.347 -0.119 1 1 1939 . 5 1 1 A 203 203 ALA C C 416 176.895 176.180 0.715 1 1 1940 . 5 1 1 A 203 203 ALA CA C 416 52.743 51.550 1.193 1 1 1941 . 5 1 1 A 203 203 ALA CB C 416 18.723 17.335 1.388 1 1 1942 . 5 1 1 A 203 203 ALA N N 416 119.053 126.636 -7.583 1 1 1943 . 5 1 1 A 204 204 GLU H H 417 7.784 8.287 -0.503 1 1 1944 . 5 1 1 A 204 204 GLU HA H 417 4.350 4.992 -0.642 1 1 1949 . 5 1 1 A 204 204 GLU C C 417 175.678 176.246 -0.568 1 1 1950 . 5 1 1 A 204 204 GLU CA C 417 55.650 55.051 0.599 1 1 1951 . 5 1 1 A 204 204 GLU CB C 417 30.312 31.210 -0.898 1 1 1953 . 5 1 1 A 204 204 GLU N N 417 116.458 118.474 -2.016 1 1 1954 . 5 1 1 A 205 205 GLY H H 418 7.910 8.866 -0.956 1 1 1955 . 5 1 1 A 205 205 GLY CA C 418 43.804 44.169 -0.365 1 1 1956 . 5 1 1 A 205 205 GLY N N 418 108.024 111.764 -3.740 1 1 1957 . 5 1 1 A 206 206 THR H H 419 8.364 8.385 -0.021 1 1 1958 . 5 1 1 A 206 206 THR HA H 419 4.316 5.431 -1.115 1 1 1963 . 5 1 1 A 206 206 THR CA C 419 64.682 59.796 4.886 1 1 1964 . 5 1 1 A 206 206 THR CB C 419 69.304 72.276 -2.972 1 1 1966 . 5 1 1 A 206 206 THR N N 419 115.417 112.328 3.089 1 1 1967 . 5 1 1 A 207 207 TRP HA H 420 4.116 4.474 -0.358 1 1 1976 . 5 1 1 A 207 207 TRP CA C 420 61.178 57.100 4.078 1 1 1977 . 5 1 1 A 207 207 TRP CB C 420 28.670 29.980 -1.310 1 1 1984 . 5 1 1 A 209 209 ILE H H 422 6.744 9.255 -2.511 1 1 1985 . 5 1 1 A 209 209 ILE HA H 422 3.349 3.852 -0.503 1 1 1993 . 5 1 1 A 209 209 ILE C C 422 178.143 177.777 0.366 1 1 1994 . 5 1 1 A 209 209 ILE CA C 422 60.865 64.197 -3.332 1 1 1995 . 5 1 1 A 209 209 ILE CB C 422 34.371 37.439 -3.068 1 1 1999 . 5 1 1 A 209 209 ILE N N 422 113.211 123.447 -10.236 1 1 2000 . 5 1 1 A 210 210 GLN H H 423 8.252 8.330 -0.078 1 1 2001 . 5 1 1 A 210 210 GLN HA H 423 3.548 4.118 -0.570 1 1 2006 . 5 1 1 A 210 210 GLN C C 423 179.079 177.660 1.419 1 1 2007 . 5 1 1 A 210 210 GLN CA C 423 58.795 58.953 -0.158 1 1 2008 . 5 1 1 A 210 210 GLN CB C 423 26.704 28.322 -1.618 1 1 2010 . 5 1 1 A 210 210 GLN N N 423 116.455 120.739 -4.284 1 1 2011 . 5 1 1 A 211 211 SER H H 424 8.162 7.915 0.247 1 1 2012 . 5 1 1 A 211 211 SER HA H 424 3.961 4.490 -0.529 1 1 2015 . 5 1 1 A 211 211 SER C C 424 179.150 176.546 2.604 1 1 2016 . 5 1 1 A 211 211 SER CA C 424 61.850 60.911 0.939 1 1 2017 . 5 1 1 A 211 211 SER CB C 424 62.214 63.686 -1.472 1 1 2018 . 5 1 1 A 211 211 SER N N 424 115.041 116.578 -1.537 1 1 2019 . 5 1 1 A 212 212 LEU H H 425 8.061 7.938 0.123 1 1 2020 . 5 1 1 A 212 212 LEU HA H 425 3.540 4.055 -0.515 1 1 2030 . 5 1 1 A 212 212 LEU C C 425 177.566 178.276 -0.710 1 1 2031 . 5 1 1 A 212 212 LEU CA C 425 58.548 57.969 0.579 1 1 2032 . 5 1 1 A 212 212 LEU CB C 425 41.665 41.234 0.431 1 1 2036 . 5 1 1 A 212 212 LEU N N 425 124.082 122.465 1.617 1 1 2037 . 5 1 1 A 213 213 CYS H H 426 7.940 8.264 -0.324 1 1 2038 . 5 1 1 A 213 213 CYS HA H 426 3.628 3.883 -0.255 1 1 2041 . 5 1 1 A 213 213 CYS C C 426 175.741 176.553 -0.812 1 1 2042 . 5 1 1 A 213 213 CYS CA C 426 65.159 62.586 2.573 1 1 2043 . 5 1 1 A 213 213 CYS CB C 426 49.251 26.475 22.776 1 1 2044 . 5 1 1 A 213 213 CYS N N 426 114.351 118.091 -3.740 1 1 2045 . 5 1 1 A 214 214 GLN H H 427 7.510 8.315 -0.805 1 1 2046 . 5 1 1 A 214 214 GLN HA H 427 3.772 4.116 -0.344 1 1 2051 . 5 1 1 A 214 214 GLN C C 427 177.769 177.716 0.053 1 1 2052 . 5 1 1 A 214 214 GLN CA C 427 59.019 57.576 1.443 1 1 2053 . 5 1 1 A 214 214 GLN CB C 427 27.718 27.197 0.521 1 1 2055 . 5 1 1 A 214 214 GLN N N 427 117.399 119.064 -1.665 1 1 2056 . 5 1 1 A 215 215 SER H H 428 7.906 7.756 0.150 1 1 2057 . 5 1 1 A 215 215 SER HA H 428 4.173 4.356 -0.183 1 1 2060 . 5 1 1 A 215 215 SER CA C 428 62.653 61.060 1.593 1 1 2061 . 5 1 1 A 215 215 SER CB C 428 62.889 62.922 -0.033 1 1 2062 . 5 1 1 A 215 215 SER N N 428 113.799 116.479 -2.680 1 1 2063 . 5 1 1 A 216 216 LEU H H 429 8.505 8.395 0.110 1 1 2064 . 5 1 1 A 216 216 LEU HA H 429 4.156 3.856 0.300 1 1 2071 . 5 1 1 A 216 216 LEU C C 429 178.848 178.243 0.605 1 1 2072 . 5 1 1 A 216 216 LEU CA C 429 58.053 57.989 0.064 1 1 2073 . 5 1 1 A 216 216 LEU CB C 429 41.222 41.140 0.082 1 1 2076 . 5 1 1 A 216 216 LEU N N 429 121.357 120.644 0.713 1 1 2077 . 5 1 1 A 217 217 ARG H H 430 7.972 8.613 -0.641 1 1 2078 . 5 1 1 A 217 217 ARG HA H 430 3.850 3.943 -0.093 1 1 2085 . 5 1 1 A 217 217 ARG C C 430 178.237 176.991 1.246 1 1 2086 . 5 1 1 A 217 217 ARG CA C 430 59.472 58.648 0.824 1 1 2087 . 5 1 1 A 217 217 ARG CB C 430 30.256 30.092 0.164 1 1 2090 . 5 1 1 A 217 217 ARG N N 430 116.018 120.907 -4.889 1 1 2091 . 5 1 1 A 218 218 GLU H H 431 7.583 8.199 -0.616 1 1 2092 . 5 1 1 A 218 218 GLU HA H 431 4.119 4.087 0.032 1 1 2096 . 5 1 1 A 218 218 GLU C C 431 178.377 177.259 1.118 1 1 2097 . 5 1 1 A 218 218 GLU CA C 431 58.207 57.462 0.745 1 1 2098 . 5 1 1 A 218 218 GLU CB C 431 30.548 29.214 1.334 1 1 2100 . 5 1 1 A 218 218 GLU N N 431 113.645 117.988 -4.343 1 1 2101 . 5 1 1 A 219 219 ARG H H 432 8.621 7.482 1.139 1 1 2102 . 5 1 1 A 219 219 ARG HA H 432 4.180 4.444 -0.264 1 1 2103 . 5 1 1 A 219 219 ARG C C 432 178.455 178.543 -0.088 1 1 2104 . 5 1 1 A 219 219 ARG CA C 432 58.428 57.238 1.190 1 1 2105 . 5 1 1 A 219 219 ARG CB C 432 30.936 31.450 -0.514 1 1 2107 . 5 1 1 A 219 219 ARG N N 432 114.272 119.072 -4.800 1 1 2108 . 5 1 1 A 220 220 CYS H H 433 8.828 7.901 0.927 1 1 2109 . 5 1 1 A 220 220 CYS HA H 433 4.464 4.184 0.280 1 1 2112 . 5 1 1 A 220 220 CYS C C 433 176.708 174.949 1.759 1 1 2113 . 5 1 1 A 220 220 CYS CA C 433 66.312 63.603 2.709 1 1 2114 . 5 1 1 A 220 220 CYS CB C 433 47.095 25.804 21.291 1 1 2115 . 5 1 1 A 220 220 CYS N N 433 120.012 117.982 2.030 1 1 2116 . 5 1 1 A 221 221 PRO HA H 434 4.463 4.553 -0.090 1 1 2123 . 5 1 1 A 221 221 PRO C C 434 177.064 175.399 1.665 1 1 2124 . 5 1 1 A 221 221 PRO CA C 434 65.717 62.725 2.992 1 1 2125 . 5 1 1 A 221 221 PRO CB C 434 31.169 29.372 1.797 1 1 2128 . 5 1 1 A 222 222 ARG H H 435 6.904 8.402 -1.498 1 1 2129 . 5 1 1 A 222 222 ARG HA H 435 4.331 4.563 -0.232 1 1 2136 . 5 1 1 A 222 222 ARG C C 435 176.536 177.055 -0.519 1 1 2137 . 5 1 1 A 222 222 ARG CA C 435 55.901 56.303 -0.402 1 1 2138 . 5 1 1 A 222 222 ARG CB C 435 30.116 32.812 -2.696 1 1 2141 . 5 1 1 A 222 222 ARG N N 435 112.486 121.162 -8.676 1 1 2142 . 5 1 1 A 223 223 GLY H H 436 8.160 8.080 0.080 1 1 2143 . 5 1 1 A 223 223 GLY HA2 H 436 4.237 4.049 0.188 1 1 2144 . 5 1 1 A 223 223 GLY HA3 H 436 3.643 4.063 -0.420 1 1 2145 . 5 1 1 A 223 223 GLY C C 436 173.338 174.507 -1.169 1 1 2146 . 5 1 1 A 223 223 GLY CA C 436 43.988 45.474 -1.486 1 1 2147 . 5 1 1 A 223 223 GLY N N 436 105.931 107.686 -1.755 1 1 2148 . 5 1 1 A 224 224 ASP H H 437 6.891 8.229 -1.338 1 1 2149 . 5 1 1 A 224 224 ASP HA H 437 4.500 4.757 -0.257 1 1 2151 . 5 1 1 A 224 224 ASP C C 437 173.806 175.863 -2.057 1 1 2152 . 5 1 1 A 224 224 ASP CA C 437 54.576 55.479 -0.903 1 1 2153 . 5 1 1 A 224 224 ASP CB C 437 40.588 40.977 -0.389 1 1 2154 . 5 1 1 A 224 224 ASP N N 437 119.342 119.947 -0.605 1 1 2155 . 5 1 1 A 225 225 ASP H H 438 8.054 7.980 0.074 1 1 2156 . 5 1 1 A 225 225 ASP HA H 438 4.912 4.828 0.084 1 1 2159 . 5 1 1 A 225 225 ASP C C 438 175.631 175.973 -0.342 1 1 2160 . 5 1 1 A 225 225 ASP CA C 438 52.579 53.427 -0.848 1 1 2161 . 5 1 1 A 225 225 ASP CB C 438 42.616 42.003 0.613 1 1 2162 . 5 1 1 A 225 225 ASP N N 438 117.877 115.918 1.959 1 1 2163 . 5 1 1 A 226 226 ILE H H 439 9.101 8.410 0.691 1 1 2164 . 5 1 1 A 226 226 ILE HA H 439 3.621 4.291 -0.670 1 1 2174 . 5 1 1 A 226 226 ILE C C 439 176.146 177.307 -1.161 1 1 2175 . 5 1 1 A 226 226 ILE CA C 439 62.602 60.346 2.256 1 1 2176 . 5 1 1 A 226 226 ILE CB C 439 36.530 38.850 -2.320 1 1 2180 . 5 1 1 A 226 226 ILE N N 439 118.352 119.941 -1.589 1 1 2181 . 5 1 1 A 227 227 LEU H H 440 7.814 7.521 0.293 1 1 2182 . 5 1 1 A 227 227 LEU HA H 440 3.918 3.984 -0.066 1 1 2192 . 5 1 1 A 227 227 LEU C C 440 179.397 178.312 1.085 1 1 2193 . 5 1 1 A 227 227 LEU CA C 440 58.566 56.878 1.688 1 1 2194 . 5 1 1 A 227 227 LEU CB C 440 40.819 41.699 -0.880 1 1 2198 . 5 1 1 A 227 227 LEU N N 440 119.906 121.037 -1.131 1 1 2199 . 5 1 1 A 228 228 THR H H 441 7.665 8.310 -0.645 1 1 2200 . 5 1 1 A 228 228 THR HA H 441 4.289 3.638 0.651 1 1 2205 . 5 1 1 A 228 228 THR C C 441 179.489 177.087 2.402 1 1 2206 . 5 1 1 A 228 228 THR CA C 441 61.837 65.568 -3.731 1 1 2207 . 5 1 1 A 228 228 THR CB C 441 69.979 68.162 1.817 1 1 2209 . 5 1 1 A 228 228 THR N N 441 120.011 109.132 10.879 1 1 2210 . 5 1 1 A 229 229 ILE H H 442 7.807 7.751 0.056 1 1 2211 . 5 1 1 A 229 229 ILE HA H 442 3.300 3.606 -0.306 1 1 2221 . 5 1 1 A 229 229 ILE C C 442 177.728 177.499 0.229 1 1 2222 . 5 1 1 A 229 229 ILE CA C 442 66.069 65.242 0.827 1 1 2223 . 5 1 1 A 229 229 ILE CB C 442 38.260 37.833 0.427 1 1 2227 . 5 1 1 A 229 229 ILE N N 442 119.411 122.860 -3.449 1 1 2228 . 5 1 1 A 230 230 LEU H H 443 8.530 7.466 1.064 1 1 2229 . 5 1 1 A 230 230 LEU HA H 443 3.958 4.160 -0.202 1 1 2239 . 5 1 1 A 230 230 LEU C C 443 178.689 178.000 0.689 1 1 2240 . 5 1 1 A 230 230 LEU CA C 443 57.697 57.014 0.683 1 1 2241 . 5 1 1 A 230 230 LEU CB C 443 42.191 42.007 0.184 1 1 2245 . 5 1 1 A 230 230 LEU N N 443 116.186 119.517 -3.331 1 1 2246 . 5 1 1 A 231 231 THR H H 444 8.008 7.570 0.438 1 1 2247 . 5 1 1 A 231 231 THR HA H 444 4.153 4.617 -0.464 1 1 2252 . 5 1 1 A 231 231 THR C C 444 175.208 174.922 0.286 1 1 2253 . 5 1 1 A 231 231 THR CA C 444 65.327 61.022 4.305 1 1 2254 . 5 1 1 A 231 231 THR CB C 444 69.718 68.932 0.786 1 1 2256 . 5 1 1 A 231 231 THR N N 444 112.075 105.798 6.277 1 1 2257 . 5 1 1 A 232 232 GLU H H 445 7.717 7.724 -0.007 1 1 2258 . 5 1 1 A 232 232 GLU HA H 445 4.186 4.289 -0.103 1 1 2259 . 5 1 1 A 232 232 GLU C C 445 177.156 177.155 0.001 1 1 2260 . 5 1 1 A 232 232 GLU CA C 445 57.891 56.583 1.308 1 1 2261 . 5 1 1 A 232 232 GLU CB C 445 28.836 30.051 -1.215 1 1 2263 . 5 1 1 A 232 232 GLU N N 445 120.074 120.874 -0.800 1 1 2294 . 5 1 1 A 252 252 GLN H H 465 8.586 8.202 0.384 1 1 2295 . 5 1 1 A 252 252 GLN HA H 465 4.689 4.820 -0.131 1 1 2296 . 5 1 1 A 252 252 GLN C C 465 174.446 172.893 1.553 1 1 2297 . 5 1 1 A 252 252 GLN CA C 465 53.682 53.587 0.095 1 1 2298 . 5 1 1 A 252 252 GLN CB C 465 28.537 29.739 -1.202 1 1 2300 . 5 1 1 A 252 252 GLN N N 465 121.782 116.463 5.319 1 1 2301 . 5 1 1 A 253 253 PRO HA H 466 4.902 4.845 0.057 1 1 2302 . 5 1 1 A 253 253 PRO C C 466 174.937 177.169 -2.232 1 1 2303 . 5 1 1 A 253 253 PRO CA C 466 63.075 62.300 0.775 1 1 2304 . 5 1 1 A 253 253 PRO CB C 466 32.384 29.695 2.689 1 1 2307 . 5 1 1 A 254 254 THR H H 467 8.556 8.025 0.531 1 1 2308 . 5 1 1 A 254 254 THR HA H 467 4.659 4.238 0.421 1 1 2313 . 5 1 1 A 254 254 THR C C 467 172.995 175.136 -2.141 1 1 2314 . 5 1 1 A 254 254 THR CA C 467 61.740 62.489 -0.749 1 1 2315 . 5 1 1 A 254 254 THR CB C 467 70.195 69.286 0.909 1 1 2317 . 5 1 1 A 254 254 THR N N 467 115.754 115.186 0.568 1 1 2318 . 5 1 1 A 255 255 PHE H H 468 8.560 7.803 0.757 1 1 2319 . 5 1 1 A 255 255 PHE HA H 468 5.502 4.727 0.775 1 1 2322 . 5 1 1 A 255 255 PHE C C 468 173.198 175.082 -1.884 1 1 2323 . 5 1 1 A 255 255 PHE CA C 468 56.283 55.964 0.319 1 1 2324 . 5 1 1 A 255 255 PHE CB C 468 43.426 40.236 3.190 1 1 2325 . 5 1 1 A 255 255 PHE N N 468 120.481 119.993 0.488 1 1 2326 . 5 1 1 A 256 256 THR H H 469 9.702 8.222 1.480 1 1 2327 . 5 1 1 A 256 256 THR HA H 469 4.662 5.022 -0.360 1 1 2332 . 5 1 1 A 256 256 THR C C 469 176.561 173.152 3.409 1 1 2333 . 5 1 1 A 256 256 THR CA C 469 59.948 60.534 -0.586 1 1 2334 . 5 1 1 A 256 256 THR CB C 469 69.145 70.951 -1.806 1 1 2336 . 5 1 1 A 256 256 THR N N 469 108.601 113.327 -4.726 1 1 2337 . 5 1 1 A 257 257 LEU H H 470 7.235 8.996 -1.761 1 1 2338 . 5 1 1 A 257 257 LEU HA H 470 4.401 4.995 -0.594 1 1 2348 . 5 1 1 A 257 257 LEU C C 470 175.975 176.175 -0.200 1 1 2349 . 5 1 1 A 257 257 LEU CA C 470 55.492 53.598 1.894 1 1 2350 . 5 1 1 A 257 257 LEU CB C 470 41.850 46.697 -4.847 1 1 2354 . 5 1 1 A 257 257 LEU N N 470 120.802 126.467 -5.665 1 1 2355 . 5 1 1 A 258 258 ARG H H 471 8.228 8.575 -0.347 1 1 2356 . 5 1 1 A 258 258 ARG HA H 471 4.631 4.589 0.042 1 1 2363 . 5 1 1 A 258 258 ARG C C 471 174.114 175.269 -1.155 1 1 2364 . 5 1 1 A 258 258 ARG CA C 471 55.071 55.544 -0.473 1 1 2365 . 5 1 1 A 258 258 ARG CB C 471 32.470 31.051 1.419 1 1 2368 . 5 1 1 A 258 258 ARG N N 471 118.883 118.912 -0.029 1 1 2369 . 5 1 1 A 259 259 LYS H H 472 7.217 7.533 -0.316 1 1 2370 . 5 1 1 A 259 259 LYS HA H 472 4.260 4.833 -0.573 1 1 2379 . 5 1 1 A 259 259 LYS C C 472 174.571 174.251 0.320 1 1 2380 . 5 1 1 A 259 259 LYS CA C 472 53.269 54.537 -1.268 1 1 2381 . 5 1 1 A 259 259 LYS CB C 472 36.332 37.043 -0.711 1 1 2385 . 5 1 1 A 259 259 LYS N N 472 116.031 117.953 -1.922 1 1 2386 . 5 1 1 A 260 260 LYS H H 473 8.357 8.471 -0.114 1 1 2387 . 5 1 1 A 260 260 LYS HA H 473 4.297 4.502 -0.205 1 1 2396 . 5 1 1 A 260 260 LYS C C 473 174.137 175.963 -1.826 1 1 2397 . 5 1 1 A 260 260 LYS CA C 473 57.258 55.942 1.316 1 1 2398 . 5 1 1 A 260 260 LYS CB C 473 33.561 32.947 0.614 1 1 2402 . 5 1 1 A 260 260 LYS N N 473 119.377 122.178 -2.801 1 1 2403 . 5 1 1 A 261 261 LEU H H 474 9.288 8.790 0.498 1 1 2404 . 5 1 1 A 261 261 LEU HA H 474 5.048 4.696 0.352 1 1 2414 . 5 1 1 A 261 261 LEU C C 474 172.558 176.779 -4.221 1 1 2415 . 5 1 1 A 261 261 LEU CA C 474 53.327 54.565 -1.238 1 1 2416 . 5 1 1 A 261 261 LEU CB C 474 44.313 42.480 1.833 1 1 2420 . 5 1 1 A 261 261 LEU N N 474 126.482 128.394 -1.912 1 1 2421 . 5 1 1 A 262 262 VAL H H 475 8.876 7.323 1.553 1 1 2422 . 5 1 1 A 262 262 VAL HA H 475 4.238 4.004 0.234 1 1 2430 . 5 1 1 A 262 262 VAL C C 475 174.243 175.909 -1.666 1 1 2431 . 5 1 1 A 262 262 VAL CA C 475 59.734 63.669 -3.935 1 1 2432 . 5 1 1 A 262 262 VAL CB C 475 34.790 32.122 2.668 1 1 2435 . 5 1 1 A 262 262 VAL N N 475 124.316 121.306 3.010 1 1 2436 . 5 1 1 A 263 263 PHE H H 476 8.826 8.898 -0.072 1 1 2437 . 5 1 1 A 263 263 PHE HA H 476 5.518 5.095 0.423 1 1 2443 . 5 1 1 A 263 263 PHE C C 476 171.887 173.699 -1.812 1 1 2444 . 5 1 1 A 263 263 PHE CA C 476 52.082 55.254 -3.172 1 1 2445 . 5 1 1 A 263 263 PHE CB C 476 39.792 39.729 0.063 1 1 2449 . 5 1 1 A 263 263 PHE N N 476 122.867 125.707 -2.840 1 1 2450 . 5 1 1 A 264 264 PRO HA H 477 4.649 4.767 -0.118 1 1 2457 . 5 1 1 A 264 264 PRO C C 477 178.322 177.037 1.285 1 1 2458 . 5 1 1 A 264 264 PRO CA C 477 62.333 62.931 -0.598 1 1 2459 . 5 1 1 A 264 264 PRO CB C 477 32.553 33.264 -0.711 1 1 2462 . 5 1 1 A 265 265 SER H H 478 8.763 8.601 0.162 1 1 2463 . 5 1 1 A 265 265 SER HA H 478 4.494 4.193 0.301 1 1 2466 . 5 1 1 A 265 265 SER C C 478 173.725 174.460 -0.735 1 1 2467 . 5 1 1 A 265 265 SER CA C 478 59.060 60.083 -1.023 1 1 2468 . 5 1 1 A 265 265 SER CB C 478 64.038 63.261 0.777 1 1 2469 . 5 1 1 A 265 265 SER N N 478 116.725 113.927 2.798 1 1 17 . 6 1 1 A 12 12 VAL H H 225 7.819 8.274 -0.455 1 1 18 . 6 1 1 A 12 12 VAL HA H 225 4.946 3.831 1.115 1 1 26 . 6 1 1 A 12 12 VAL C C 225 175.898 176.141 -0.243 1 1 27 . 6 1 1 A 12 12 VAL CA C 225 59.650 62.492 -2.842 1 1 28 . 6 1 1 A 12 12 VAL CB C 225 35.296 31.788 3.508 1 1 31 . 6 1 1 A 12 12 VAL N N 225 117.637 121.567 -3.930 1 1 32 . 6 1 1 A 13 13 TYR H H 226 8.318 8.899 -0.581 1 1 33 . 6 1 1 A 13 13 TYR HA H 226 4.291 4.335 -0.044 1 1 36 . 6 1 1 A 13 13 TYR C C 226 176.911 175.345 1.566 1 1 37 . 6 1 1 A 13 13 TYR CA C 226 60.063 59.070 0.993 1 1 38 . 6 1 1 A 13 13 TYR CB C 226 37.843 36.342 1.501 1 1 39 . 6 1 1 A 13 13 TYR N N 226 122.976 128.296 -5.320 1 1 40 . 6 1 1 A 14 14 GLN H H 227 9.128 7.385 1.743 1 1 41 . 6 1 1 A 14 14 GLN HA H 227 3.996 4.441 -0.445 1 1 46 . 6 1 1 A 14 14 GLN C C 227 175.052 177.021 -1.969 1 1 47 . 6 1 1 A 14 14 GLN CA C 227 57.421 55.101 2.320 1 1 48 . 6 1 1 A 14 14 GLN CB C 227 29.550 28.734 0.816 1 1 50 . 6 1 1 A 14 14 GLN N N 227 124.676 119.446 5.230 1 1 51 . 6 1 1 A 15 15 MET H H 228 8.465 7.925 0.540 1 1 52 . 6 1 1 A 15 15 MET HA H 228 5.210 4.334 0.876 1 1 60 . 6 1 1 A 15 15 MET C C 228 172.979 177.878 -4.899 1 1 61 . 6 1 1 A 15 15 MET CA C 228 52.955 57.590 -4.635 1 1 62 . 6 1 1 A 15 15 MET CB C 228 30.751 31.418 -0.667 1 1 65 . 6 1 1 A 15 15 MET N N 228 128.835 119.482 9.353 1 1 66 . 6 1 1 A 16 16 LYS H H 229 9.119 8.368 0.751 1 1 67 . 6 1 1 A 16 16 LYS HA H 229 4.558 4.194 0.364 1 1 76 . 6 1 1 A 16 16 LYS C C 229 176.209 176.683 -0.474 1 1 77 . 6 1 1 A 16 16 LYS CA C 229 55.916 58.882 -2.966 1 1 78 . 6 1 1 A 16 16 LYS CB C 229 35.555 31.942 3.613 1 1 82 . 6 1 1 A 16 16 LYS N N 229 120.235 118.828 1.407 1 1 83 . 6 1 1 A 17 17 SER H H 230 9.101 7.564 1.537 1 1 84 . 6 1 1 A 17 17 SER HA H 230 4.077 4.410 -0.333 1 1 87 . 6 1 1 A 17 17 SER C C 230 172.995 175.026 -2.031 1 1 88 . 6 1 1 A 17 17 SER CA C 230 59.615 57.993 1.622 1 1 89 . 6 1 1 A 17 17 SER CB C 230 64.482 63.001 1.481 1 1 90 . 6 1 1 A 17 17 SER N N 230 121.500 116.301 5.199 1 1 91 . 6 1 1 A 18 18 LYS H H 231 8.120 8.100 0.020 1 1 92 . 6 1 1 A 18 18 LYS HA H 231 4.373 4.078 0.295 1 1 101 . 6 1 1 A 18 18 LYS C C 231 173.565 177.075 -3.510 1 1 102 . 6 1 1 A 18 18 LYS CA C 231 53.231 57.086 -3.855 1 1 103 . 6 1 1 A 18 18 LYS CB C 231 34.596 30.117 4.479 1 1 107 . 6 1 1 A 18 18 LYS N N 231 120.561 125.612 -5.051 1 1 108 . 6 1 1 A 19 19 PRO HA H 232 4.898 4.286 0.612 1 1 115 . 6 1 1 A 19 19 PRO C C 232 176.162 177.717 -1.555 1 1 116 . 6 1 1 A 19 19 PRO CA C 232 62.838 65.962 -3.124 1 1 117 . 6 1 1 A 19 19 PRO CB C 232 34.997 31.404 3.593 1 1 120 . 6 1 1 A 20 20 ARG H H 233 8.782 8.059 0.723 1 1 121 . 6 1 1 A 20 20 ARG HA H 233 3.651 4.401 -0.750 1 1 122 . 6 1 1 A 20 20 ARG C C 233 175.210 175.971 -0.761 1 1 123 . 6 1 1 A 20 20 ARG CA C 233 56.621 56.967 -0.346 1 1 124 . 6 1 1 A 20 20 ARG CB C 233 30.581 28.849 1.732 1 1 127 . 6 1 1 A 20 20 ARG N N 233 118.785 118.218 0.567 1 1 128 . 6 1 1 A 21 21 GLY H H 234 6.490 8.498 -2.008 1 1 129 . 6 1 1 A 21 21 GLY HA2 H 234 4.312 3.864 0.448 1 1 130 . 6 1 1 A 21 21 GLY HA3 H 234 4.662 4.034 0.628 1 1 131 . 6 1 1 A 21 21 GLY C C 234 172.012 173.140 -1.128 1 1 132 . 6 1 1 A 21 21 GLY CA C 234 43.743 46.861 -3.118 1 1 133 . 6 1 1 A 21 21 GLY N N 234 128.529 107.979 20.550 1 1 134 . 6 1 1 A 22 22 TYR H H 235 9.327 8.675 0.652 1 1 135 . 6 1 1 A 22 22 TYR HA H 235 5.260 4.815 0.445 1 1 140 . 6 1 1 A 22 22 TYR C C 235 173.931 175.667 -1.736 1 1 141 . 6 1 1 A 22 22 TYR CA C 235 58.287 57.145 1.142 1 1 142 . 6 1 1 A 22 22 TYR CB C 235 39.762 37.523 2.239 1 1 145 . 6 1 1 A 22 22 TYR N N 235 119.429 125.162 -5.733 1 1 146 . 6 1 1 A 23 23 CYS H H 236 8.665 8.321 0.344 1 1 147 . 6 1 1 A 23 23 CYS HA H 236 4.928 4.466 0.462 1 1 148 . 6 1 1 A 23 23 CYS C C 236 172.970 174.374 -1.404 1 1 149 . 6 1 1 A 23 23 CYS CA C 236 55.636 58.569 -2.933 1 1 150 . 6 1 1 A 23 23 CYS CB C 236 50.040 28.766 21.274 1 1 151 . 6 1 1 A 23 23 CYS N N 236 120.485 122.647 -2.162 1 1 152 . 6 1 1 A 24 24 LEU H H 237 8.619 7.795 0.824 1 1 153 . 6 1 1 A 24 24 LEU HA H 237 4.691 4.879 -0.188 1 1 163 . 6 1 1 A 24 24 LEU C C 237 175.850 175.972 -0.122 1 1 164 . 6 1 1 A 24 24 LEU CA C 237 54.053 53.560 0.493 1 1 165 . 6 1 1 A 24 24 LEU CB C 237 44.117 42.741 1.376 1 1 169 . 6 1 1 A 24 24 LEU N N 237 129.465 122.740 6.725 1 1 170 . 6 1 1 A 25 25 ILE H H 238 8.304 8.983 -0.679 1 1 171 . 6 1 1 A 25 25 ILE HA H 238 4.639 4.904 -0.265 1 1 179 . 6 1 1 A 25 25 ILE C C 238 174.032 175.567 -1.535 1 1 180 . 6 1 1 A 25 25 ILE CA C 238 60.879 59.791 1.088 1 1 181 . 6 1 1 A 25 25 ILE CB C 238 41.165 40.526 0.639 1 1 185 . 6 1 1 A 25 25 ILE N N 238 122.597 124.959 -2.362 1 1 186 . 6 1 1 A 26 26 ILE H H 239 9.025 8.738 0.287 1 1 187 . 6 1 1 A 26 26 ILE HA H 239 4.778 5.041 -0.263 1 1 197 . 6 1 1 A 26 26 ILE C C 239 173.104 174.147 -1.043 1 1 198 . 6 1 1 A 26 26 ILE CA C 239 60.733 60.467 0.266 1 1 199 . 6 1 1 A 26 26 ILE CB C 239 38.237 40.769 -2.532 1 1 203 . 6 1 1 A 26 26 ILE N N 239 129.303 126.347 2.956 1 1 204 . 6 1 1 A 27 27 ASN H H 240 8.957 8.814 0.143 1 1 205 . 6 1 1 A 27 27 ASN HA H 240 5.174 5.286 -0.112 1 1 208 . 6 1 1 A 27 27 ASN C C 240 172.948 174.105 -1.157 1 1 209 . 6 1 1 A 27 27 ASN CA C 240 52.055 51.783 0.272 1 1 210 . 6 1 1 A 27 27 ASN CB C 240 40.530 39.625 0.905 1 1 211 . 6 1 1 A 27 27 ASN N N 240 125.494 127.555 -2.061 1 1 212 . 6 1 1 A 28 28 ASN H H 241 9.118 8.704 0.414 1 1 213 . 6 1 1 A 28 28 ASN HA H 241 5.106 4.792 0.314 1 1 216 . 6 1 1 A 28 28 ASN C C 241 172.184 176.557 -4.373 1 1 217 . 6 1 1 A 28 28 ASN CA C 241 52.599 53.103 -0.504 1 1 218 . 6 1 1 A 28 28 ASN CB C 241 38.296 37.614 0.682 1 1 219 . 6 1 1 A 28 28 ASN N N 241 125.089 123.399 1.690 1 1 220 . 6 1 1 A 29 29 HIS H H 242 9.512 8.080 1.432 1 1 221 . 6 1 1 A 29 29 HIS HA H 242 4.384 4.318 0.066 1 1 224 . 6 1 1 A 29 29 HIS C C 242 173.519 176.879 -3.360 1 1 225 . 6 1 1 A 29 29 HIS CA C 242 59.174 59.010 0.164 1 1 226 . 6 1 1 A 29 29 HIS CB C 242 28.022 29.307 -1.285 1 1 227 . 6 1 1 A 29 29 HIS N N 242 125.634 120.041 5.593 1 1 228 . 6 1 1 A 30 30 ASN H H 243 8.623 7.560 1.063 1 1 229 . 6 1 1 A 30 30 ASN HA H 243 4.148 4.376 -0.228 1 1 234 . 6 1 1 A 30 30 ASN C C 243 175.052 175.224 -0.172 1 1 235 . 6 1 1 A 30 30 ASN CA C 243 53.229 55.599 -2.370 1 1 236 . 6 1 1 A 30 30 ASN CB C 243 38.980 38.262 0.718 1 1 237 . 6 1 1 A 30 30 ASN N N 243 119.059 119.361 -0.302 1 1 239 . 6 1 1 A 31 31 PHE H H 244 8.676 7.930 0.746 1 1 240 . 6 1 1 A 31 31 PHE HA H 244 4.686 4.243 0.443 1 1 243 . 6 1 1 A 31 31 PHE C C 244 174.399 175.679 -1.280 1 1 244 . 6 1 1 A 31 31 PHE CA C 244 57.688 59.126 -1.438 1 1 245 . 6 1 1 A 31 31 PHE CB C 244 39.026 36.259 2.767 1 1 246 . 6 1 1 A 31 31 PHE N N 244 124.091 117.386 6.705 1 1 247 . 6 1 1 A 32 32 ALA H H 245 8.244 8.199 0.045 1 1 248 . 6 1 1 A 32 32 ALA HA H 245 3.869 4.320 -0.451 1 1 252 . 6 1 1 A 32 32 ALA C C 245 180.452 177.954 2.498 1 1 253 . 6 1 1 A 32 32 ALA CA C 245 56.274 53.850 2.424 1 1 254 . 6 1 1 A 32 32 ALA CB C 245 18.181 18.997 -0.816 1 1 255 . 6 1 1 A 32 32 ALA N N 245 122.713 120.639 2.074 1 1 256 . 6 1 1 A 33 33 LYS H H 246 8.964 7.374 1.590 1 1 257 . 6 1 1 A 33 33 LYS HA H 246 4.089 4.517 -0.428 1 1 266 . 6 1 1 A 33 33 LYS C C 246 177.441 177.492 -0.051 1 1 267 . 6 1 1 A 33 33 LYS CA C 246 58.632 55.766 2.866 1 1 268 . 6 1 1 A 33 33 LYS CB C 246 30.418 33.292 -2.874 1 1 272 . 6 1 1 A 33 33 LYS N N 246 116.888 115.721 1.167 1 1 273 . 6 1 1 A 34 34 ALA H H 247 7.088 7.889 -0.801 1 1 274 . 6 1 1 A 34 34 ALA HA H 247 3.752 4.209 -0.457 1 1 278 . 6 1 1 A 34 34 ALA C C 247 177.581 180.142 -2.561 1 1 279 . 6 1 1 A 34 34 ALA CA C 247 55.502 53.998 1.504 1 1 280 . 6 1 1 A 34 34 ALA CB C 247 18.099 19.120 -1.021 1 1 281 . 6 1 1 A 34 34 ALA N N 247 122.047 121.665 0.382 1 1 282 . 6 1 1 A 35 35 ARG H H 248 7.706 8.254 -0.548 1 1 283 . 6 1 1 A 35 35 ARG HA H 248 4.338 4.332 0.006 1 1 292 . 6 1 1 A 35 35 ARG C C 248 179.094 177.894 1.200 1 1 293 . 6 1 1 A 35 35 ARG CA C 248 56.283 59.216 -2.933 1 1 294 . 6 1 1 A 35 35 ARG CB C 248 30.668 30.029 0.639 1 1 297 . 6 1 1 A 35 35 ARG N N 248 112.008 118.821 -6.813 1 1 299 . 6 1 1 A 36 36 GLU H H 249 7.707 7.854 -0.147 1 1 300 . 6 1 1 A 36 36 GLU HA H 249 4.121 4.325 -0.204 1 1 305 . 6 1 1 A 36 36 GLU C C 249 178.205 179.167 -0.962 1 1 306 . 6 1 1 A 36 36 GLU CA C 249 58.194 58.426 -0.232 1 1 307 . 6 1 1 A 36 36 GLU CB C 249 30.596 30.393 0.203 1 1 309 . 6 1 1 A 36 36 GLU N N 249 116.945 119.345 -2.400 1 1 310 . 6 1 1 A 37 37 LYS H H 250 7.954 8.031 -0.077 1 1 311 . 6 1 1 A 37 37 LYS HA H 250 4.381 4.140 0.241 1 1 320 . 6 1 1 A 37 37 LYS C C 250 176.772 176.827 -0.055 1 1 321 . 6 1 1 A 37 37 LYS CA C 250 57.323 58.373 -1.050 1 1 322 . 6 1 1 A 37 37 LYS CB C 250 34.892 32.675 2.217 1 1 326 . 6 1 1 A 37 37 LYS N N 250 114.798 119.804 -5.006 1 1 327 . 6 1 1 A 38 38 VAL H H 251 8.298 8.127 0.171 1 1 328 . 6 1 1 A 38 38 VAL HA H 251 4.582 4.723 -0.141 1 1 336 . 6 1 1 A 38 38 VAL C C 251 174.903 174.498 0.405 1 1 337 . 6 1 1 A 38 38 VAL CA C 251 60.316 59.269 1.047 1 1 338 . 6 1 1 A 38 38 VAL CB C 251 32.374 31.864 0.510 1 1 341 . 6 1 1 A 38 38 VAL N N 251 120.907 118.477 2.430 1 1 342 . 6 1 1 A 40 40 LYS H H 253 8.588 8.942 -0.354 1 1 343 . 6 1 1 A 40 40 LYS HA H 253 4.275 4.146 0.129 1 1 352 . 6 1 1 A 40 40 LYS C C 253 176.447 177.958 -1.511 1 1 353 . 6 1 1 A 40 40 LYS CA C 253 58.550 58.620 -0.070 1 1 354 . 6 1 1 A 40 40 LYS CB C 253 31.568 31.463 0.105 1 1 358 . 6 1 1 A 40 40 LYS N N 253 113.861 116.659 -2.798 1 1 359 . 6 1 1 A 41 41 LEU H H 254 7.948 7.820 0.128 1 1 360 . 6 1 1 A 41 41 LEU HA H 254 4.391 4.153 0.238 1 1 370 . 6 1 1 A 41 41 LEU C C 254 175.989 177.487 -1.498 1 1 371 . 6 1 1 A 41 41 LEU CA C 254 53.279 56.761 -3.482 1 1 372 . 6 1 1 A 41 41 LEU CB C 254 40.369 41.516 -1.147 1 1 376 . 6 1 1 A 41 41 LEU N N 254 118.998 120.399 -1.401 1 1 377 . 6 1 1 A 42 42 HIS H H 255 7.167 8.155 -0.988 1 1 378 . 6 1 1 A 42 42 HIS HA H 255 4.376 4.718 -0.342 1 1 382 . 6 1 1 A 42 42 HIS C C 255 174.836 175.924 -1.088 1 1 383 . 6 1 1 A 42 42 HIS CA C 255 59.188 55.525 3.663 1 1 384 . 6 1 1 A 42 42 HIS CB C 255 30.311 29.881 0.430 1 1 386 . 6 1 1 A 42 42 HIS N N 255 116.251 116.479 -0.228 1 1 387 . 6 1 1 A 43 43 SER H H 256 7.735 7.970 -0.235 1 1 388 . 6 1 1 A 43 43 SER HA H 256 4.490 4.761 -0.271 1 1 391 . 6 1 1 A 43 43 SER C C 256 174.045 174.929 -0.884 1 1 392 . 6 1 1 A 43 43 SER CA C 256 56.420 57.875 -1.455 1 1 393 . 6 1 1 A 43 43 SER CB C 256 64.093 64.354 -0.261 1 1 394 . 6 1 1 A 43 43 SER N N 256 110.725 113.226 -2.501 1 1 395 . 6 1 1 A 44 44 ILE H H 257 7.403 7.995 -0.592 1 1 396 . 6 1 1 A 44 44 ILE HA H 257 3.806 3.994 -0.188 1 1 406 . 6 1 1 A 44 44 ILE C C 257 174.321 175.467 -1.146 1 1 407 . 6 1 1 A 44 44 ILE CA C 257 61.640 63.219 -1.579 1 1 408 . 6 1 1 A 44 44 ILE CB C 257 38.324 37.889 0.435 1 1 412 . 6 1 1 A 44 44 ILE N N 257 124.717 116.751 7.966 1 1 413 . 6 1 1 A 45 45 ARG H H 258 8.043 7.516 0.527 1 1 414 . 6 1 1 A 45 45 ARG HA H 258 4.201 4.818 -0.617 1 1 421 . 6 1 1 A 45 45 ARG C C 258 177.535 175.673 1.862 1 1 422 . 6 1 1 A 45 45 ARG CA C 258 55.412 54.102 1.310 1 1 423 . 6 1 1 A 45 45 ARG CB C 258 31.546 34.747 -3.201 1 1 426 . 6 1 1 A 45 45 ARG N N 258 124.319 120.335 3.984 1 1 427 . 6 1 1 A 46 46 ASP H H 259 8.584 8.671 -0.087 1 1 428 . 6 1 1 A 46 46 ASP HA H 259 5.096 4.559 0.537 1 1 431 . 6 1 1 A 46 46 ASP C C 259 177.819 176.042 1.777 1 1 432 . 6 1 1 A 46 46 ASP CA C 259 55.248 55.697 -0.449 1 1 433 . 6 1 1 A 46 46 ASP CB C 259 39.614 41.767 -2.153 1 1 434 . 6 1 1 A 46 46 ASP N N 259 120.371 121.361 -0.990 1 1 435 . 6 1 1 A 47 47 ARG H H 260 8.632 7.556 1.076 1 1 442 . 6 1 1 A 47 47 ARG CA C 260 56.228 55.161 1.067 1 1 443 . 6 1 1 A 47 47 ARG CB C 260 26.981 31.829 -4.848 1 1 445 . 6 1 1 A 47 47 ARG N N 260 123.120 120.487 2.633 1 1 447 . 6 1 1 A 51 51 HIS HA H 264 4.293 4.343 -0.050 1 1 451 . 6 1 1 A 51 51 HIS C C 264 178.002 176.977 1.025 1 1 452 . 6 1 1 A 51 51 HIS CA C 264 60.062 58.544 1.518 1 1 453 . 6 1 1 A 51 51 HIS CB C 264 29.109 29.290 -0.181 1 1 455 . 6 1 1 A 52 52 LEU H H 265 7.474 7.826 -0.352 1 1 456 . 6 1 1 A 52 52 LEU HA H 265 4.125 3.872 0.253 1 1 466 . 6 1 1 A 52 52 LEU C C 265 180.623 178.380 2.243 1 1 467 . 6 1 1 A 52 52 LEU CA C 265 56.921 57.919 -0.998 1 1 468 . 6 1 1 A 52 52 LEU CB C 265 40.572 41.245 -0.673 1 1 472 . 6 1 1 A 52 52 LEU N N 265 122.692 123.392 -0.700 1 1 473 . 6 1 1 A 53 53 ASP H H 266 6.993 8.261 -1.268 1 1 474 . 6 1 1 A 53 53 ASP C C 266 176.536 178.547 -2.011 1 1 475 . 6 1 1 A 53 53 ASP CA C 266 56.718 57.572 -0.854 1 1 476 . 6 1 1 A 53 53 ASP CB C 266 39.787 41.729 -1.942 1 1 477 . 6 1 1 A 53 53 ASP N N 266 122.192 119.592 2.600 1 1 478 . 6 1 1 A 54 54 ALA H H 267 8.217 8.216 0.001 1 1 479 . 6 1 1 A 54 54 ALA HA H 267 3.840 4.174 -0.334 1 1 483 . 6 1 1 A 54 54 ALA C C 267 180.507 178.956 1.551 1 1 484 . 6 1 1 A 54 54 ALA CA C 267 55.836 54.782 1.054 1 1 485 . 6 1 1 A 54 54 ALA CB C 267 17.386 18.397 -1.011 1 1 486 . 6 1 1 A 54 54 ALA N N 267 121.612 121.304 0.308 1 1 487 . 6 1 1 A 55 55 GLY H H 268 8.481 7.860 0.621 1 1 488 . 6 1 1 A 55 55 GLY C C 268 174.929 176.019 -1.090 1 1 489 . 6 1 1 A 55 55 GLY CA C 268 46.546 46.121 0.425 1 1 490 . 6 1 1 A 55 55 GLY N N 268 107.453 106.833 0.620 1 1 491 . 6 1 1 A 56 56 ALA H H 269 7.759 8.109 -0.350 1 1 492 . 6 1 1 A 56 56 ALA HA H 269 4.190 4.010 0.180 1 1 496 . 6 1 1 A 56 56 ALA C C 269 180.493 179.779 0.714 1 1 497 . 6 1 1 A 56 56 ALA CA C 269 55.311 54.712 0.599 1 1 498 . 6 1 1 A 56 56 ALA CB C 269 17.951 18.773 -0.822 1 1 499 . 6 1 1 A 56 56 ALA N N 269 125.518 124.604 0.914 1 1 500 . 6 1 1 A 57 57 LEU H H 270 8.224 7.865 0.359 1 1 501 . 6 1 1 A 57 57 LEU HA H 270 3.840 4.038 -0.198 1 1 506 . 6 1 1 A 57 57 LEU C C 270 177.499 179.315 -1.816 1 1 507 . 6 1 1 A 57 57 LEU CA C 270 58.315 57.907 0.408 1 1 508 . 6 1 1 A 57 57 LEU CB C 270 43.182 41.317 1.865 1 1 511 . 6 1 1 A 57 57 LEU N N 270 121.610 117.393 4.217 1 1 512 . 6 1 1 A 58 58 THR H H 271 7.976 8.420 -0.444 1 1 513 . 6 1 1 A 58 58 THR HA H 271 4.432 3.982 0.450 1 1 518 . 6 1 1 A 58 58 THR C C 271 174.457 176.288 -1.831 1 1 519 . 6 1 1 A 58 58 THR CA C 271 68.788 66.773 2.015 1 1 520 . 6 1 1 A 58 58 THR CB C 271 67.557 68.849 -1.292 1 1 522 . 6 1 1 A 58 58 THR N N 271 115.528 115.501 0.027 1 1 523 . 6 1 1 A 59 59 THR H H 272 8.085 8.794 -0.709 1 1 524 . 6 1 1 A 59 59 THR HA H 272 3.911 4.044 -0.133 1 1 529 . 6 1 1 A 59 59 THR C C 272 176.131 177.014 -0.883 1 1 530 . 6 1 1 A 59 59 THR CA C 272 65.908 65.303 0.605 1 1 531 . 6 1 1 A 59 59 THR CB C 272 69.045 68.814 0.231 1 1 533 . 6 1 1 A 59 59 THR N N 272 114.864 114.357 0.507 1 1 534 . 6 1 1 A 60 60 THR H H 273 7.875 8.069 -0.194 1 1 535 . 6 1 1 A 60 60 THR HA H 273 3.423 3.843 -0.420 1 1 540 . 6 1 1 A 60 60 THR C C 273 175.166 176.120 -0.954 1 1 541 . 6 1 1 A 60 60 THR CA C 273 67.291 66.667 0.624 1 1 542 . 6 1 1 A 60 60 THR CB C 273 68.824 68.594 0.230 1 1 544 . 6 1 1 A 60 60 THR N N 273 116.718 117.588 -0.870 1 1 545 . 6 1 1 A 61 61 PHE H H 274 8.219 7.771 0.448 1 1 546 . 6 1 1 A 61 61 PHE HA H 274 4.213 4.505 -0.292 1 1 552 . 6 1 1 A 61 61 PHE C C 274 178.034 178.338 -0.304 1 1 553 . 6 1 1 A 61 61 PHE CA C 274 63.308 61.726 1.582 1 1 554 . 6 1 1 A 61 61 PHE CB C 274 37.080 38.035 -0.955 1 1 558 . 6 1 1 A 61 61 PHE N N 274 114.721 118.336 -3.615 1 1 559 . 6 1 1 A 62 62 GLU H H 275 8.810 8.928 -0.118 1 1 560 . 6 1 1 A 62 62 GLU HA H 275 4.416 3.979 0.437 1 1 565 . 6 1 1 A 62 62 GLU C C 275 181.232 179.175 2.057 1 1 566 . 6 1 1 A 62 62 GLU CA C 275 60.190 59.883 0.307 1 1 567 . 6 1 1 A 62 62 GLU CB C 275 28.990 29.066 -0.076 1 1 569 . 6 1 1 A 62 62 GLU N N 275 123.787 120.836 2.951 1 1 570 . 6 1 1 A 63 63 GLU H H 276 7.698 8.437 -0.739 1 1 571 . 6 1 1 A 63 63 GLU HA H 276 3.871 4.225 -0.354 1 1 575 . 6 1 1 A 63 63 GLU C C 276 176.721 177.065 -0.344 1 1 576 . 6 1 1 A 63 63 GLU CA C 276 58.821 58.356 0.465 1 1 577 . 6 1 1 A 63 63 GLU CB C 276 29.251 28.523 0.728 1 1 579 . 6 1 1 A 63 63 GLU N N 276 120.707 118.346 2.361 1 1 580 . 6 1 1 A 64 64 LEU H H 277 6.708 7.633 -0.925 1 1 581 . 6 1 1 A 64 64 LEU HA H 277 4.148 4.423 -0.275 1 1 589 . 6 1 1 A 64 64 LEU C C 277 174.571 176.192 -1.621 1 1 590 . 6 1 1 A 64 64 LEU CA C 277 54.060 54.643 -0.583 1 1 594 . 6 1 1 A 64 64 LEU N N 277 115.451 119.134 -3.683 1 1 595 . 6 1 1 A 65 65 HIS H H 278 7.388 7.678 -0.290 1 1 596 . 6 1 1 A 65 65 HIS HA H 278 4.259 4.071 0.188 1 1 599 . 6 1 1 A 65 65 HIS C C 278 174.571 173.546 1.025 1 1 600 . 6 1 1 A 65 65 HIS CA C 278 57.737 56.512 1.225 1 1 601 . 6 1 1 A 65 65 HIS CB C 278 26.020 28.055 -2.035 1 1 602 . 6 1 1 A 65 65 HIS N N 278 107.287 117.027 -9.740 1 1 603 . 6 1 1 A 66 66 PHE H H 279 8.554 7.845 0.709 1 1 604 . 6 1 1 A 66 66 PHE HA H 279 4.462 5.013 -0.551 1 1 610 . 6 1 1 A 66 66 PHE C C 279 174.258 174.450 -0.192 1 1 611 . 6 1 1 A 66 66 PHE CA C 279 58.032 56.539 1.493 1 1 612 . 6 1 1 A 66 66 PHE CB C 279 39.809 44.416 -4.607 1 1 616 . 6 1 1 A 66 66 PHE N N 279 117.992 118.187 -0.195 1 1 617 . 6 1 1 A 67 67 GLU H H 280 8.403 8.522 -0.119 1 1 618 . 6 1 1 A 67 67 GLU HA H 280 4.631 5.074 -0.443 1 1 621 . 6 1 1 A 67 67 GLU C C 280 174.640 175.341 -0.701 1 1 622 . 6 1 1 A 67 67 GLU CA C 280 55.467 55.638 -0.171 1 1 623 . 6 1 1 A 67 67 GLU CB C 280 30.671 31.028 -0.357 1 1 625 . 6 1 1 A 67 67 GLU N N 280 120.980 119.294 1.686 1 1 626 . 6 1 1 A 68 68 ILE H H 281 8.988 8.832 0.156 1 1 627 . 6 1 1 A 68 68 ILE HA H 281 4.491 4.726 -0.235 1 1 636 . 6 1 1 A 68 68 ILE C C 281 176.177 174.480 1.697 1 1 637 . 6 1 1 A 68 68 ILE CA C 281 59.688 59.245 0.443 1 1 638 . 6 1 1 A 68 68 ILE CB C 281 35.090 42.116 -7.026 1 1 642 . 6 1 1 A 68 68 ILE N N 281 127.994 124.409 3.585 1 1 643 . 6 1 1 A 69 69 LYS H H 282 8.559 8.415 0.144 1 1 644 . 6 1 1 A 69 69 LYS HA H 282 4.981 4.680 0.301 1 1 645 . 6 1 1 A 69 69 LYS CA C 282 50.465 52.830 -2.365 1 1 646 . 6 1 1 A 69 69 LYS CB C 282 32.762 35.128 -2.366 1 1 649 . 6 1 1 A 69 69 LYS N N 282 126.350 124.908 1.442 1 1 650 . 6 1 1 A 70 70 PRO HA H 283 5.133 4.786 0.347 1 1 651 . 6 1 1 A 70 70 PRO C C 283 176.378 175.985 0.393 1 1 652 . 6 1 1 A 70 70 PRO CA C 283 62.027 62.286 -0.259 1 1 653 . 6 1 1 A 70 70 PRO CB C 283 32.856 29.142 3.714 1 1 655 . 6 1 1 A 71 71 HIS H H 284 8.967 8.058 0.909 1 1 656 . 6 1 1 A 71 71 HIS HA H 284 4.465 4.737 -0.272 1 1 660 . 6 1 1 A 71 71 HIS C C 284 172.714 174.026 -1.312 1 1 661 . 6 1 1 A 71 71 HIS CA C 284 55.994 54.648 1.346 1 1 662 . 6 1 1 A 71 71 HIS CB C 284 33.678 27.924 5.754 1 1 664 . 6 1 1 A 71 71 HIS N N 284 121.708 122.428 -0.720 1 1 665 . 6 1 1 A 72 72 ASP H H 285 8.625 8.472 0.153 1 1 666 . 6 1 1 A 72 72 ASP HA H 285 5.695 4.746 0.949 1 1 669 . 6 1 1 A 72 72 ASP C C 285 175.881 174.719 1.162 1 1 670 . 6 1 1 A 72 72 ASP CA C 285 53.201 53.892 -0.691 1 1 671 . 6 1 1 A 72 72 ASP CB C 285 43.758 39.284 4.474 1 1 672 . 6 1 1 A 72 72 ASP N N 285 122.941 124.513 -1.572 1 1 673 . 6 1 1 A 73 73 ASP H H 286 9.212 8.292 0.920 1 1 674 . 6 1 1 A 73 73 ASP HA H 286 4.263 5.314 -1.051 1 1 676 . 6 1 1 A 73 73 ASP C C 286 174.368 173.934 0.434 1 1 677 . 6 1 1 A 73 73 ASP CA C 286 56.488 52.289 4.199 1 1 678 . 6 1 1 A 73 73 ASP CB C 286 39.083 44.617 -5.534 1 1 679 . 6 1 1 A 73 73 ASP N N 286 119.175 124.077 -4.902 1 1 680 . 6 1 1 A 74 74 CYS H H 287 8.750 8.775 -0.025 1 1 681 . 6 1 1 A 74 74 CYS HA H 287 4.854 4.407 0.447 1 1 684 . 6 1 1 A 74 74 CYS C C 287 176.146 175.191 0.955 1 1 685 . 6 1 1 A 74 74 CYS CA C 287 58.552 58.795 -0.243 1 1 686 . 6 1 1 A 74 74 CYS CB C 287 53.204 28.797 24.407 1 1 687 . 6 1 1 A 74 74 CYS N N 287 119.631 120.863 -1.232 1 1 688 . 6 1 1 A 75 75 THR H H 288 8.535 8.526 0.009 1 1 689 . 6 1 1 A 75 75 THR HA H 288 4.163 4.118 0.045 1 1 694 . 6 1 1 A 75 75 THR C C 288 174.663 176.288 -1.625 1 1 695 . 6 1 1 A 75 75 THR CA C 288 61.353 65.362 -4.009 1 1 696 . 6 1 1 A 75 75 THR CB C 288 70.100 69.159 0.941 1 1 698 . 6 1 1 A 75 75 THR N N 288 115.998 118.741 -2.743 1 1 699 . 6 1 1 A 76 76 VAL H H 289 8.083 8.220 -0.137 1 1 700 . 6 1 1 A 76 76 VAL HA H 289 3.414 4.234 -0.820 1 1 708 . 6 1 1 A 76 76 VAL C C 289 176.443 176.794 -0.351 1 1 709 . 6 1 1 A 76 76 VAL CA C 289 69.066 63.399 5.667 1 1 710 . 6 1 1 A 76 76 VAL CB C 289 30.361 33.948 -3.587 1 1 713 . 6 1 1 A 76 76 VAL N N 289 120.599 117.921 2.678 1 1 714 . 6 1 1 A 77 77 GLU H H 290 9.095 8.101 0.994 1 1 715 . 6 1 1 A 77 77 GLU HA H 290 4.027 3.844 0.183 1 1 720 . 6 1 1 A 77 77 GLU C C 290 179.172 177.478 1.694 1 1 721 . 6 1 1 A 77 77 GLU CA C 290 59.831 59.023 0.808 1 1 722 . 6 1 1 A 77 77 GLU CB C 290 29.493 29.691 -0.198 1 1 724 . 6 1 1 A 77 77 GLU N N 290 119.191 120.516 -1.325 1 1 725 . 6 1 1 A 78 78 GLN H H 291 7.523 7.834 -0.311 1 1 726 . 6 1 1 A 78 78 GLN HA H 291 4.079 4.448 -0.369 1 1 731 . 6 1 1 A 78 78 GLN C C 291 177.815 177.281 0.534 1 1 732 . 6 1 1 A 78 78 GLN CA C 291 58.920 56.620 2.300 1 1 734 . 6 1 1 A 78 78 GLN N N 291 117.101 116.853 0.248 1 1 735 . 6 1 1 A 79 79 ILE H H 292 8.368 7.873 0.495 1 1 736 . 6 1 1 A 79 79 ILE HA H 292 3.427 3.761 -0.334 1 1 746 . 6 1 1 A 79 79 ILE C C 292 177.133 178.259 -1.126 1 1 747 . 6 1 1 A 79 79 ILE CA C 292 67.132 64.230 2.902 1 1 748 . 6 1 1 A 79 79 ILE CB C 292 37.163 37.066 0.097 1 1 752 . 6 1 1 A 79 79 ILE N N 292 120.006 121.174 -1.168 1 1 753 . 6 1 1 A 80 80 TYR H H 293 8.302 7.823 0.479 1 1 754 . 6 1 1 A 80 80 TYR HA H 293 4.179 4.339 -0.160 1 1 759 . 6 1 1 A 80 80 TYR C C 293 178.907 178.139 0.768 1 1 760 . 6 1 1 A 80 80 TYR CA C 293 61.737 60.429 1.308 1 1 761 . 6 1 1 A 80 80 TYR CB C 293 37.201 37.925 -0.724 1 1 764 . 6 1 1 A 80 80 TYR N N 293 116.291 120.823 -4.532 1 1 765 . 6 1 1 A 81 81 GLU H H 294 8.170 8.363 -0.193 1 1 766 . 6 1 1 A 81 81 GLU HA H 294 4.036 4.246 -0.210 1 1 771 . 6 1 1 A 81 81 GLU C C 294 178.414 179.519 -1.105 1 1 772 . 6 1 1 A 81 81 GLU CA C 294 59.768 58.789 0.979 1 1 773 . 6 1 1 A 81 81 GLU CB C 294 29.489 29.675 -0.186 1 1 775 . 6 1 1 A 81 81 GLU N N 294 120.325 120.001 0.324 1 1 776 . 6 1 1 A 82 82 ILE H H 295 8.501 7.788 0.713 1 1 777 . 6 1 1 A 82 82 ILE HA H 295 3.675 3.592 0.083 1 1 787 . 6 1 1 A 82 82 ILE C C 295 177.751 177.763 -0.012 1 1 788 . 6 1 1 A 82 82 ILE CA C 295 65.288 64.359 0.929 1 1 789 . 6 1 1 A 82 82 ILE CB C 295 38.497 36.641 1.856 1 1 793 . 6 1 1 A 82 82 ILE N N 295 120.434 121.111 -0.677 1 1 794 . 6 1 1 A 83 83 LEU H H 296 8.508 8.553 -0.045 1 1 795 . 6 1 1 A 83 83 LEU HA H 296 4.289 3.591 0.698 1 1 805 . 6 1 1 A 83 83 LEU C C 296 178.393 179.235 -0.842 1 1 806 . 6 1 1 A 83 83 LEU CA C 296 58.937 57.858 1.079 1 1 807 . 6 1 1 A 83 83 LEU CB C 296 39.626 41.351 -1.725 1 1 811 . 6 1 1 A 83 83 LEU N N 296 116.807 121.487 -4.680 1 1 812 . 6 1 1 A 84 84 LYS H H 297 8.048 8.060 -0.012 1 1 813 . 6 1 1 A 84 84 LYS HA H 297 3.967 4.076 -0.109 1 1 820 . 6 1 1 A 84 84 LYS C C 297 177.773 178.360 -0.587 1 1 821 . 6 1 1 A 84 84 LYS CA C 297 58.890 58.978 -0.088 1 1 822 . 6 1 1 A 84 84 LYS CB C 297 31.169 32.241 -1.072 1 1 826 . 6 1 1 A 84 84 LYS N N 297 118.687 118.256 0.431 1 1 827 . 6 1 1 A 85 85 ILE H H 298 7.694 7.241 0.453 1 1 828 . 6 1 1 A 85 85 ILE HA H 298 3.456 3.637 -0.181 1 1 838 . 6 1 1 A 85 85 ILE C C 298 179.100 177.728 1.372 1 1 839 . 6 1 1 A 85 85 ILE CA C 298 65.307 64.659 0.648 1 1 840 . 6 1 1 A 85 85 ILE CB C 298 36.965 36.979 -0.014 1 1 844 . 6 1 1 A 85 85 ILE N N 298 118.157 120.801 -2.644 1 1 845 . 6 1 1 A 86 86 TYR H H 299 7.613 7.030 0.583 1 1 846 . 6 1 1 A 86 86 TYR HA H 299 4.103 4.204 -0.101 1 1 851 . 6 1 1 A 86 86 TYR C C 299 177.425 177.867 -0.442 1 1 852 . 6 1 1 A 86 86 TYR CA C 299 63.129 60.348 2.781 1 1 853 . 6 1 1 A 86 86 TYR CB C 299 38.745 37.588 1.157 1 1 856 . 6 1 1 A 86 86 TYR N N 299 115.499 120.228 -4.729 1 1 857 . 6 1 1 A 87 87 GLN H H 300 9.112 8.152 0.960 1 1 858 . 6 1 1 A 87 87 GLN HA H 300 3.977 4.168 -0.191 1 1 861 . 6 1 1 A 87 87 GLN C C 300 176.380 178.431 -2.051 1 1 862 . 6 1 1 A 87 87 GLN CA C 300 58.976 58.353 0.623 1 1 863 . 6 1 1 A 87 87 GLN CB C 300 28.819 28.479 0.340 1 1 865 . 6 1 1 A 87 87 GLN N N 300 125.039 121.437 3.602 1 1 866 . 6 1 1 A 88 88 LEU H H 301 7.536 7.683 -0.147 1 1 867 . 6 1 1 A 88 88 LEU HA H 301 4.309 4.102 0.207 1 1 877 . 6 1 1 A 88 88 LEU C C 301 177.129 179.828 -2.699 1 1 878 . 6 1 1 A 88 88 LEU CA C 301 55.142 57.456 -2.314 1 1 879 . 6 1 1 A 88 88 LEU CB C 301 41.809 41.235 0.574 1 1 883 . 6 1 1 A 88 88 LEU N N 301 115.623 119.531 -3.908 1 1 884 . 6 1 1 A 89 89 MET H H 302 7.025 8.074 -1.049 1 1 885 . 6 1 1 A 89 89 MET HA H 302 4.031 4.249 -0.218 1 1 893 . 6 1 1 A 89 89 MET C C 302 172.664 176.421 -3.757 1 1 894 . 6 1 1 A 89 89 MET CA C 302 55.513 58.884 -3.371 1 1 895 . 6 1 1 A 89 89 MET CB C 302 33.748 32.595 1.153 1 1 898 . 6 1 1 A 89 89 MET N N 302 120.789 119.595 1.194 1 1 899 . 6 1 1 A 90 90 ASP H H 303 8.056 8.226 -0.170 1 1 900 . 6 1 1 A 90 90 ASP HA H 303 4.746 4.483 0.263 1 1 903 . 6 1 1 A 90 90 ASP C C 303 177.139 175.373 1.766 1 1 904 . 6 1 1 A 90 90 ASP CA C 303 54.411 54.940 -0.529 1 1 905 . 6 1 1 A 90 90 ASP CB C 303 40.987 38.586 2.401 1 1 906 . 6 1 1 A 90 90 ASP N N 303 117.873 118.747 -0.874 1 1 907 . 6 1 1 A 91 91 HIS H H 304 9.371 8.118 1.253 1 1 908 . 6 1 1 A 91 91 HIS HA H 304 4.657 4.517 0.140 1 1 912 . 6 1 1 A 91 91 HIS C C 304 177.332 174.926 2.406 1 1 913 . 6 1 1 A 91 91 HIS CA C 304 56.031 56.492 -0.461 1 1 914 . 6 1 1 A 91 91 HIS CB C 304 31.150 30.608 0.542 1 1 916 . 6 1 1 A 91 91 HIS N N 304 126.666 118.766 7.900 1 1 917 . 6 1 1 A 92 92 SER H H 305 8.952 8.859 0.093 1 1 918 . 6 1 1 A 92 92 SER HA H 305 4.055 4.623 -0.568 1 1 921 . 6 1 1 A 92 92 SER CA C 305 63.687 59.097 4.590 1 1 922 . 6 1 1 A 92 92 SER CB C 305 62.694 64.735 -2.041 1 1 923 . 6 1 1 A 92 92 SER N N 305 118.610 116.099 2.511 1 1 924 . 6 1 1 A 93 93 ASN H H 306 8.745 8.142 0.603 1 1 925 . 6 1 1 A 93 93 ASN HA H 306 4.803 5.024 -0.221 1 1 928 . 6 1 1 A 93 93 ASN C C 306 173.428 175.711 -2.283 1 1 929 . 6 1 1 A 93 93 ASN CA C 306 53.018 51.717 1.301 1 1 930 . 6 1 1 A 93 93 ASN CB C 306 38.033 41.220 -3.187 1 1 931 . 6 1 1 A 93 93 ASN N N 306 116.257 117.495 -1.238 1 1 932 . 6 1 1 A 94 94 MET H H 307 7.942 8.939 -0.997 1 1 933 . 6 1 1 A 94 94 MET HA H 307 4.683 4.219 0.464 1 1 939 . 6 1 1 A 94 94 MET C C 307 174.640 176.115 -1.475 1 1 940 . 6 1 1 A 94 94 MET CA C 307 53.564 56.258 -2.694 1 1 941 . 6 1 1 A 94 94 MET CB C 307 33.988 30.395 3.593 1 1 944 . 6 1 1 A 94 94 MET N N 307 117.799 122.213 -4.414 1 1 945 . 6 1 1 A 95 95 ASP H H 308 8.276 8.058 0.218 1 1 946 . 6 1 1 A 95 95 ASP HA H 308 5.172 4.674 0.498 1 1 949 . 6 1 1 A 95 95 ASP C C 308 176.264 175.747 0.517 1 1 950 . 6 1 1 A 95 95 ASP CA C 308 55.617 55.808 -0.191 1 1 951 . 6 1 1 A 95 95 ASP CB C 308 45.114 40.463 4.651 1 1 952 . 6 1 1 A 95 95 ASP N N 308 119.567 117.490 2.077 1 1 953 . 6 1 1 A 96 96 CYS H H 309 8.215 7.457 0.758 1 1 954 . 6 1 1 A 96 96 CYS HA H 309 4.680 4.176 0.504 1 1 957 . 6 1 1 A 96 96 CYS C C 309 170.157 174.228 -4.071 1 1 958 . 6 1 1 A 96 96 CYS CA C 309 57.203 58.215 -1.012 1 1 959 . 6 1 1 A 96 96 CYS CB C 309 52.974 28.672 24.302 1 1 960 . 6 1 1 A 96 96 CYS N N 309 118.264 118.443 -0.179 1 1 961 . 6 1 1 A 97 97 PHE H H 310 8.108 8.086 0.022 1 1 962 . 6 1 1 A 97 97 PHE HA H 310 5.071 5.193 -0.122 1 1 967 . 6 1 1 A 97 97 PHE C C 310 171.279 172.465 -1.186 1 1 968 . 6 1 1 A 97 97 PHE CA C 310 57.910 56.246 1.664 1 1 969 . 6 1 1 A 97 97 PHE CB C 310 44.724 40.928 3.796 1 1 972 . 6 1 1 A 97 97 PHE N N 310 125.767 119.108 6.659 1 1 973 . 6 1 1 A 98 98 ILE H H 311 7.647 8.344 -0.697 1 1 974 . 6 1 1 A 98 98 ILE HA H 311 4.581 4.705 -0.124 1 1 984 . 6 1 1 A 98 98 ILE C C 311 172.012 175.068 -3.056 1 1 985 . 6 1 1 A 98 98 ILE CA C 311 58.312 60.194 -1.882 1 1 986 . 6 1 1 A 98 98 ILE CB C 311 39.964 41.022 -1.058 1 1 990 . 6 1 1 A 98 98 ILE N N 311 125.102 119.134 5.968 1 1 991 . 6 1 1 A 99 99 CYS H H 312 8.309 9.000 -0.691 1 1 992 . 6 1 1 A 99 99 CYS HA H 312 4.471 4.318 0.153 1 1 993 . 6 1 1 A 99 99 CYS C C 312 171.965 173.504 -1.539 1 1 994 . 6 1 1 A 99 99 CYS CA C 312 56.347 58.160 -1.813 1 1 995 . 6 1 1 A 99 99 CYS CB C 312 51.093 25.895 25.198 1 1 996 . 6 1 1 A 99 99 CYS N N 312 124.548 126.887 -2.339 1 1 997 . 6 1 1 A 100 100 CYS H H 313 9.116 8.039 1.077 1 1 998 . 6 1 1 A 100 100 CYS HA H 313 5.880 4.502 1.378 1 1 1001 . 6 1 1 A 100 100 CYS C C 313 173.635 173.652 -0.017 1 1 1002 . 6 1 1 A 100 100 CYS CA C 313 55.906 57.789 -1.883 1 1 1003 . 6 1 1 A 100 100 CYS CB C 313 52.685 26.083 26.602 1 1 1004 . 6 1 1 A 100 100 CYS N N 313 127.015 123.681 3.334 1 1 1005 . 6 1 1 A 101 101 ILE H H 314 8.896 7.701 1.195 1 1 1006 . 6 1 1 A 101 101 ILE HA H 314 4.737 4.301 0.436 1 1 1016 . 6 1 1 A 101 101 ILE C C 314 172.277 175.391 -3.114 1 1 1017 . 6 1 1 A 101 101 ILE CA C 314 60.937 61.235 -0.298 1 1 1018 . 6 1 1 A 101 101 ILE CB C 314 40.848 36.826 4.022 1 1 1022 . 6 1 1 A 101 101 ILE N N 314 121.994 126.045 -4.051 1 1 1023 . 6 1 1 A 102 102 LEU H H 315 8.951 8.364 0.587 1 1 1024 . 6 1 1 A 102 102 LEU HA H 315 5.285 4.134 1.151 1 1 1029 . 6 1 1 A 102 102 LEU C C 315 174.789 177.526 -2.737 1 1 1030 . 6 1 1 A 102 102 LEU CA C 315 52.489 55.532 -3.043 1 1 1031 . 6 1 1 A 102 102 LEU CB C 315 40.041 43.374 -3.333 1 1 1034 . 6 1 1 A 102 102 LEU N N 315 127.404 129.542 -2.138 1 1 1035 . 6 1 1 A 103 103 SER H H 316 9.096 8.689 0.407 1 1 1036 . 6 1 1 A 103 103 SER HA H 316 4.680 3.997 0.683 1 1 1039 . 6 1 1 A 103 103 SER C C 316 174.555 173.716 0.839 1 1 1040 . 6 1 1 A 103 103 SER CA C 316 56.403 58.783 -2.380 1 1 1041 . 6 1 1 A 103 103 SER CB C 316 63.224 61.733 1.491 1 1 1042 . 6 1 1 A 103 103 SER N N 316 113.273 115.239 -1.966 1 1 1043 . 6 1 1 A 104 104 HIS H H 317 7.515 8.173 -0.658 1 1 1044 . 6 1 1 A 104 104 HIS HA H 317 5.214 4.684 0.530 1 1 1048 . 6 1 1 A 104 104 HIS C C 317 175.667 175.147 0.520 1 1 1049 . 6 1 1 A 104 104 HIS CA C 317 56.371 56.155 0.216 1 1 1050 . 6 1 1 A 104 104 HIS CB C 317 34.676 29.956 4.720 1 1 1052 . 6 1 1 A 104 104 HIS N N 317 114.740 119.377 -4.637 1 1 1053 . 6 1 1 A 105 105 GLY H H 318 8.368 8.131 0.237 1 1 1054 . 6 1 1 A 105 105 GLY C C 318 169.470 174.221 -4.751 1 1 1055 . 6 1 1 A 105 105 GLY CA C 318 45.558 44.914 0.644 1 1 1056 . 6 1 1 A 105 105 GLY N N 318 107.330 107.562 -0.232 1 1 1057 . 6 1 1 A 106 106 ASP H H 319 7.943 8.973 -1.030 1 1 1058 . 6 1 1 A 106 106 ASP HA H 319 4.622 4.732 -0.110 1 1 1061 . 6 1 1 A 106 106 ASP C C 319 175.179 175.611 -0.432 1 1 1062 . 6 1 1 A 106 106 ASP CA C 319 53.188 53.788 -0.600 1 1 1063 . 6 1 1 A 106 106 ASP CB C 319 43.555 40.988 2.567 1 1 1064 . 6 1 1 A 106 106 ASP N N 319 116.893 120.756 -3.863 1 1 1065 . 6 1 1 A 107 107 LYS H H 320 9.376 7.831 1.545 1 1 1066 . 6 1 1 A 107 107 LYS HA H 320 3.956 3.879 0.077 1 1 1075 . 6 1 1 A 107 107 LYS C C 320 176.864 176.315 0.549 1 1 1076 . 6 1 1 A 107 107 LYS CA C 320 58.567 57.602 0.965 1 1 1077 . 6 1 1 A 107 107 LYS CB C 320 30.568 29.834 0.734 1 1 1081 . 6 1 1 A 107 107 LYS N N 320 122.539 116.831 5.708 1 1 1082 . 6 1 1 A 108 108 GLY H H 321 9.025 8.119 0.906 1 1 1083 . 6 1 1 A 108 108 GLY C C 321 173.633 174.289 -0.656 1 1 1084 . 6 1 1 A 108 108 GLY CA C 321 45.491 45.669 -0.178 1 1 1085 . 6 1 1 A 108 108 GLY N N 321 111.919 105.622 6.297 1 1 1086 . 6 1 1 A 109 109 ILE H H 322 8.157 7.588 0.569 1 1 1087 . 6 1 1 A 109 109 ILE HA H 322 4.994 4.967 0.027 1 1 1097 . 6 1 1 A 109 109 ILE C C 322 174.524 174.762 -0.238 1 1 1098 . 6 1 1 A 109 109 ILE CA C 322 59.009 58.402 0.607 1 1 1099 . 6 1 1 A 109 109 ILE CB C 322 43.375 41.328 2.047 1 1 1103 . 6 1 1 A 109 109 ILE N N 322 116.465 115.216 1.249 1 1 1104 . 6 1 1 A 110 110 ILE H H 323 8.443 8.225 0.218 1 1 1105 . 6 1 1 A 110 110 ILE HA H 323 4.530 4.302 0.228 1 1 1115 . 6 1 1 A 110 110 ILE C C 323 174.337 175.128 -0.791 1 1 1116 . 6 1 1 A 110 110 ILE CA C 323 58.547 61.140 -2.593 1 1 1117 . 6 1 1 A 110 110 ILE CB C 323 41.604 39.045 2.559 1 1 1121 . 6 1 1 A 110 110 ILE N N 323 116.661 124.184 -7.523 1 1 1122 . 6 1 1 A 111 111 TYR H H 324 8.584 8.738 -0.154 1 1 1123 . 6 1 1 A 111 111 TYR HA H 324 5.557 4.691 0.866 1 1 1128 . 6 1 1 A 111 111 TYR C C 324 178.528 175.315 3.213 1 1 1129 . 6 1 1 A 111 111 TYR CA C 324 56.571 57.673 -1.102 1 1 1130 . 6 1 1 A 111 111 TYR CB C 324 39.984 39.757 0.227 1 1 1133 . 6 1 1 A 111 111 TYR N N 324 119.472 126.435 -6.963 1 1 1134 . 6 1 1 A 112 112 GLY H H 325 8.522 8.522 0.000 1 1 1135 . 6 1 1 A 112 112 GLY C C 325 174.755 173.290 1.465 1 1 1136 . 6 1 1 A 112 112 GLY CA C 325 43.145 46.267 -3.122 1 1 1137 . 6 1 1 A 112 112 GLY N N 325 107.078 107.471 -0.393 1 1 1138 . 6 1 1 A 113 113 THR H H 326 8.245 8.237 0.008 1 1 1139 . 6 1 1 A 113 113 THR HA H 326 3.186 4.514 -1.328 1 1 1144 . 6 1 1 A 113 113 THR C C 326 173.264 174.338 -1.074 1 1 1145 . 6 1 1 A 113 113 THR CA C 326 64.857 63.869 0.988 1 1 1146 . 6 1 1 A 113 113 THR CB C 326 66.749 70.414 -3.665 1 1 1148 . 6 1 1 A 113 113 THR N N 326 113.146 118.523 -5.377 1 1 1149 . 6 1 1 A 114 114 ASP H H 327 8.801 8.013 0.788 1 1 1150 . 6 1 1 A 114 114 ASP HA H 327 4.099 4.747 -0.648 1 1 1153 . 6 1 1 A 114 114 ASP C C 327 176.262 177.642 -1.380 1 1 1154 . 6 1 1 A 114 114 ASP CA C 327 52.768 53.850 -1.082 1 1 1155 . 6 1 1 A 114 114 ASP CB C 327 39.312 40.804 -1.492 1 1 1156 . 6 1 1 A 114 114 ASP N N 327 112.026 120.856 -8.830 1 1 1157 . 6 1 1 A 115 115 GLY H H 328 8.462 8.047 0.415 1 1 1158 . 6 1 1 A 115 115 GLY HA2 H 328 4.010 3.905 0.105 1 1 1159 . 6 1 1 A 115 115 GLY HA3 H 328 4.010 3.911 0.099 1 1 1160 . 6 1 1 A 115 115 GLY C C 328 171.918 174.612 -2.694 1 1 1161 . 6 1 1 A 115 115 GLY CA C 328 45.463 46.464 -1.001 1 1 1162 . 6 1 1 A 115 115 GLY N N 328 107.749 108.055 -0.306 1 1 1163 . 6 1 1 A 116 116 GLN H H 329 6.657 7.850 -1.193 1 1 1164 . 6 1 1 A 116 116 GLN HA H 329 4.441 4.667 -0.226 1 1 1170 . 6 1 1 A 116 116 GLN C C 329 174.196 174.696 -0.500 1 1 1171 . 6 1 1 A 116 116 GLN CA C 329 55.204 54.838 0.366 1 1 1172 . 6 1 1 A 116 116 GLN CB C 329 28.541 30.794 -2.253 1 1 1174 . 6 1 1 A 116 116 GLN N N 329 115.146 113.143 2.003 1 1 1176 . 6 1 1 A 117 117 GLU H H 330 8.624 9.032 -0.408 1 1 1177 . 6 1 1 A 117 117 GLU HA H 330 4.733 4.615 0.118 1 1 1178 . 6 1 1 A 117 117 GLU C C 330 175.357 175.494 -0.137 1 1 1179 . 6 1 1 A 117 117 GLU CA C 330 55.191 56.122 -0.931 1 1 1180 . 6 1 1 A 117 117 GLU CB C 330 32.586 31.300 1.286 1 1 1182 . 6 1 1 A 117 117 GLU N N 330 119.031 118.276 0.755 1 1 1183 . 6 1 1 A 118 118 ALA H H 331 8.995 7.688 1.307 1 1 1184 . 6 1 1 A 118 118 ALA HA H 331 5.165 4.818 0.347 1 1 1188 . 6 1 1 A 118 118 ALA C C 331 173.650 175.001 -1.351 1 1 1189 . 6 1 1 A 118 118 ALA CA C 331 48.343 50.520 -2.177 1 1 1190 . 6 1 1 A 118 118 ALA CB C 331 20.353 21.958 -1.605 1 1 1191 . 6 1 1 A 118 118 ALA N N 331 123.550 121.113 2.437 1 1 1192 . 6 1 1 A 119 119 PRO HA H 332 4.819 4.794 0.025 1 1 1193 . 6 1 1 A 119 119 PRO C C 332 177.819 177.107 0.712 1 1 1194 . 6 1 1 A 119 119 PRO CA C 332 62.007 62.312 -0.305 1 1 1195 . 6 1 1 A 119 119 PRO CB C 332 32.081 32.722 -0.641 1 1 1197 . 6 1 1 A 120 120 ILE H H 333 8.574 8.830 -0.256 1 1 1198 . 6 1 1 A 120 120 ILE HA H 333 3.278 4.048 -0.770 1 1 1206 . 6 1 1 A 120 120 ILE C C 333 177.316 177.373 -0.057 1 1 1207 . 6 1 1 A 120 120 ILE CA C 333 66.025 63.099 2.926 1 1 1208 . 6 1 1 A 120 120 ILE CB C 333 37.991 37.555 0.436 1 1 1212 . 6 1 1 A 120 120 ILE N N 333 126.740 122.953 3.787 1 1 1213 . 6 1 1 A 121 121 TYR H H 334 9.192 7.936 1.256 1 1 1214 . 6 1 1 A 121 121 TYR HA H 334 3.942 4.438 -0.496 1 1 1219 . 6 1 1 A 121 121 TYR C C 334 177.847 176.119 1.728 1 1 1220 . 6 1 1 A 121 121 TYR CA C 334 60.688 58.438 2.250 1 1 1221 . 6 1 1 A 121 121 TYR CB C 334 38.803 38.631 0.172 1 1 1224 . 6 1 1 A 121 121 TYR N N 334 117.479 121.544 -4.065 1 1 1225 . 6 1 1 A 122 122 GLU H H 335 7.178 8.144 -0.966 1 1 1226 . 6 1 1 A 122 122 GLU HA H 335 3.751 4.641 -0.890 1 1 1228 . 6 1 1 A 122 122 GLU C C 335 176.427 178.606 -2.179 1 1 1229 . 6 1 1 A 122 122 GLU CA C 335 58.378 57.519 0.859 1 1 1230 . 6 1 1 A 122 122 GLU CB C 335 29.477 32.086 -2.609 1 1 1232 . 6 1 1 A 122 122 GLU N N 335 115.885 119.482 -3.597 1 1 1233 . 6 1 1 A 123 123 LEU H H 336 7.440 7.816 -0.376 1 1 1234 . 6 1 1 A 123 123 LEU HA H 336 4.123 3.855 0.268 1 1 1244 . 6 1 1 A 123 123 LEU C C 336 177.925 178.738 -0.813 1 1 1245 . 6 1 1 A 123 123 LEU CA C 336 56.646 58.369 -1.723 1 1 1246 . 6 1 1 A 123 123 LEU CB C 336 40.661 41.821 -1.160 1 1 1250 . 6 1 1 A 123 123 LEU N N 336 115.934 121.280 -5.346 1 1 1251 . 6 1 1 A 124 124 THR H H 337 8.009 8.389 -0.380 1 1 1252 . 6 1 1 A 124 124 THR HA H 337 3.597 4.056 -0.459 1 1 1257 . 6 1 1 A 124 124 THR C C 337 177.568 175.981 1.587 1 1 1258 . 6 1 1 A 124 124 THR CA C 337 64.110 65.332 -1.222 1 1 1259 . 6 1 1 A 124 124 THR CB C 337 67.603 68.853 -1.250 1 1 1261 . 6 1 1 A 124 124 THR N N 337 107.827 112.763 -4.936 1 1 1262 . 6 1 1 A 125 125 SER H H 338 7.435 8.150 -0.715 1 1 1263 . 6 1 1 A 125 125 SER HA H 338 3.723 4.381 -0.658 1 1 1266 . 6 1 1 A 125 125 SER C C 338 174.040 175.777 -1.737 1 1 1267 . 6 1 1 A 125 125 SER CA C 338 60.514 60.868 -0.354 1 1 1268 . 6 1 1 A 125 125 SER CB C 338 62.391 63.022 -0.631 1 1 1269 . 6 1 1 A 125 125 SER N N 338 112.670 116.522 -3.852 1 1 1270 . 6 1 1 A 126 126 GLN H H 339 7.071 8.319 -1.248 1 1 1271 . 6 1 1 A 126 126 GLN HA H 339 3.850 4.150 -0.300 1 1 1276 . 6 1 1 A 126 126 GLN C C 339 173.915 177.126 -3.211 1 1 1277 . 6 1 1 A 126 126 GLN CA C 339 56.106 58.199 -2.093 1 1 1278 . 6 1 1 A 126 126 GLN CB C 339 27.028 29.195 -2.167 1 1 1280 . 6 1 1 A 126 126 GLN N N 339 117.347 119.635 -2.288 1 1 1281 . 6 1 1 A 127 127 PHE H H 340 7.355 6.944 0.411 1 1 1282 . 6 1 1 A 127 127 PHE HA H 340 4.515 4.848 -0.333 1 1 1285 . 6 1 1 A 127 127 PHE C C 340 175.241 175.849 -0.608 1 1 1286 . 6 1 1 A 127 127 PHE CA C 340 57.914 56.917 0.997 1 1 1287 . 6 1 1 A 127 127 PHE CB C 340 38.496 39.337 -0.841 1 1 1288 . 6 1 1 A 127 127 PHE N N 340 110.412 113.238 -2.826 1 1 1289 . 6 1 1 A 128 128 THR H H 341 6.785 6.868 -0.083 1 1 1290 . 6 1 1 A 128 128 THR HA H 341 4.294 3.981 0.313 1 1 1295 . 6 1 1 A 128 128 THR C C 341 174.727 176.458 -1.731 1 1 1296 . 6 1 1 A 128 128 THR CA C 341 62.016 63.735 -1.719 1 1 1297 . 6 1 1 A 128 128 THR CB C 341 69.757 69.540 0.217 1 1 1299 . 6 1 1 A 128 128 THR N N 341 107.455 116.740 -9.285 1 1 1300 . 6 1 1 A 129 129 GLY H H 342 10.506 8.613 1.893 1 1 1301 . 6 1 1 A 129 129 GLY HA2 H 342 3.841 3.830 0.011 1 1 1302 . 6 1 1 A 129 129 GLY HA3 H 342 3.648 3.864 -0.216 1 1 1303 . 6 1 1 A 129 129 GLY C C 342 175.631 174.520 1.111 1 1 1304 . 6 1 1 A 129 129 GLY CA C 342 47.056 46.492 0.564 1 1 1305 . 6 1 1 A 129 129 GLY N N 342 111.023 114.010 -2.987 1 1 1306 . 6 1 1 A 130 130 LEU H H 343 8.003 7.765 0.238 1 1 1307 . 6 1 1 A 130 130 LEU HA H 343 4.135 4.443 -0.308 1 1 1317 . 6 1 1 A 130 130 LEU C C 343 178.627 177.195 1.432 1 1 1318 . 6 1 1 A 130 130 LEU CA C 343 56.606 54.864 1.742 1 1 1319 . 6 1 1 A 130 130 LEU CB C 343 42.399 42.150 0.249 1 1 1323 . 6 1 1 A 130 130 LEU N N 343 116.983 119.304 -2.321 1 1 1324 . 6 1 1 A 131 131 LYS H H 344 6.961 8.128 -1.167 1 1 1325 . 6 1 1 A 131 131 LYS HA H 344 4.001 4.474 -0.473 1 1 1333 . 6 1 1 A 131 131 LYS C C 344 176.224 176.925 -0.701 1 1 1334 . 6 1 1 A 131 131 LYS CA C 344 57.534 56.595 0.939 1 1 1335 . 6 1 1 A 131 131 LYS CB C 344 33.404 35.339 -1.935 1 1 1339 . 6 1 1 A 131 131 LYS N N 344 116.907 115.757 1.150 1 1 1340 . 6 1 1 A 132 132 CYS H H 345 8.564 8.365 0.199 1 1 1341 . 6 1 1 A 132 132 CYS HA H 345 4.930 4.792 0.138 1 1 1344 . 6 1 1 A 132 132 CYS C C 345 172.261 172.553 -0.292 1 1 1345 . 6 1 1 A 132 132 CYS CA C 345 56.566 57.005 -0.439 1 1 1346 . 6 1 1 A 132 132 CYS CB C 345 49.011 27.940 21.071 1 1 1347 . 6 1 1 A 132 132 CYS N N 345 117.718 116.132 1.586 1 1 1348 . 6 1 1 A 133 133 PRO HA H 346 4.719 4.664 0.055 1 1 1354 . 6 1 1 A 133 133 PRO C C 346 179.500 177.219 2.281 1 1 1355 . 6 1 1 A 133 133 PRO CA C 346 62.681 62.350 0.331 1 1 1356 . 6 1 1 A 133 133 PRO CB C 346 34.366 29.917 4.449 1 1 1359 . 6 1 1 A 134 134 SER H H 347 8.896 8.784 0.112 1 1 1360 . 6 1 1 A 134 134 SER HA H 347 4.415 4.476 -0.061 1 1 1363 . 6 1 1 A 134 134 SER C C 347 174.434 175.900 -1.466 1 1 1364 . 6 1 1 A 134 134 SER CA C 347 60.509 60.352 0.157 1 1 1365 . 6 1 1 A 134 134 SER CB C 347 62.207 63.769 -1.562 1 1 1366 . 6 1 1 A 134 134 SER N N 347 112.882 121.008 -8.126 1 1 1367 . 6 1 1 A 135 135 LEU H H 348 7.549 7.925 -0.376 1 1 1368 . 6 1 1 A 135 135 LEU HA H 348 4.466 4.524 -0.058 1 1 1378 . 6 1 1 A 135 135 LEU C C 348 176.458 177.477 -1.019 1 1 1379 . 6 1 1 A 135 135 LEU CA C 348 53.787 54.483 -0.696 1 1 1380 . 6 1 1 A 135 135 LEU CB C 348 44.189 41.813 2.376 1 1 1384 . 6 1 1 A 135 135 LEU N N 348 118.501 120.269 -1.768 1 1 1385 . 6 1 1 A 136 136 ALA H H 349 7.776 7.921 -0.145 1 1 1386 . 6 1 1 A 136 136 ALA HA H 349 4.056 4.130 -0.074 1 1 1390 . 6 1 1 A 136 136 ALA C C 349 178.620 179.320 -0.700 1 1 1391 . 6 1 1 A 136 136 ALA CA C 349 54.406 54.963 -0.557 1 1 1392 . 6 1 1 A 136 136 ALA CB C 349 17.934 18.535 -0.601 1 1 1393 . 6 1 1 A 136 136 ALA N N 349 125.801 123.501 2.300 1 1 1394 . 6 1 1 A 137 137 GLY H H 350 9.371 8.379 0.992 1 1 1395 . 6 1 1 A 137 137 GLY C C 350 173.026 174.073 -1.047 1 1 1396 . 6 1 1 A 137 137 GLY CA C 350 45.132 46.302 -1.170 1 1 1397 . 6 1 1 A 137 137 GLY N N 350 111.181 106.358 4.823 1 1 1398 . 6 1 1 A 138 138 LYS H H 351 8.038 7.242 0.796 1 1 1399 . 6 1 1 A 138 138 LYS HA H 351 4.660 4.725 -0.065 1 1 1400 . 6 1 1 A 138 138 LYS C C 351 172.078 174.060 -1.982 1 1 1401 . 6 1 1 A 138 138 LYS CA C 351 52.728 53.172 -0.444 1 1 1402 . 6 1 1 A 138 138 LYS CB C 351 32.069 33.264 -1.195 1 1 1404 . 6 1 1 A 138 138 LYS N N 351 119.821 119.630 0.191 1 1 1405 . 6 1 1 A 139 139 PRO HA H 352 4.300 5.020 -0.720 1 1 1412 . 6 1 1 A 139 139 PRO C C 352 173.954 176.162 -2.208 1 1 1413 . 6 1 1 A 139 139 PRO CA C 352 62.595 62.828 -0.233 1 1 1414 . 6 1 1 A 139 139 PRO CB C 352 31.399 32.538 -1.139 1 1 1417 . 6 1 1 A 140 140 LYS H H 353 8.188 8.412 -0.224 1 1 1418 . 6 1 1 A 140 140 LYS HA H 353 4.610 5.016 -0.406 1 1 1419 . 6 1 1 A 140 140 LYS C C 353 173.494 174.117 -0.623 1 1 1420 . 6 1 1 A 140 140 LYS CA C 353 55.344 54.507 0.837 1 1 1421 . 6 1 1 A 140 140 LYS CB C 353 32.527 36.503 -3.976 1 1 1423 . 6 1 1 A 140 140 LYS N N 353 123.304 117.195 6.109 1 1 1424 . 6 1 1 A 141 141 VAL H H 354 8.344 7.987 0.357 1 1 1425 . 6 1 1 A 141 141 VAL HA H 354 4.533 4.774 -0.241 1 1 1433 . 6 1 1 A 141 141 VAL C C 354 172.277 174.216 -1.939 1 1 1434 . 6 1 1 A 141 141 VAL CA C 354 60.596 61.005 -0.409 1 1 1435 . 6 1 1 A 141 141 VAL CB C 354 33.580 34.493 -0.913 1 1 1438 . 6 1 1 A 141 141 VAL N N 354 122.550 120.497 2.053 1 1 1439 . 6 1 1 A 142 142 PHE H H 355 8.985 8.346 0.639 1 1 1440 . 6 1 1 A 142 142 PHE HA H 355 5.436 5.247 0.189 1 1 1441 . 6 1 1 A 142 142 PHE C C 355 173.666 174.214 -0.548 1 1 1442 . 6 1 1 A 142 142 PHE CA C 355 54.968 55.155 -0.187 1 1 1443 . 6 1 1 A 142 142 PHE CB C 355 42.877 40.980 1.897 1 1 1444 . 6 1 1 A 142 142 PHE N N 355 123.850 127.617 -3.767 1 1 1445 . 6 1 1 A 143 143 PHE H H 356 8.584 8.602 -0.018 1 1 1446 . 6 1 1 A 143 143 PHE HA H 356 5.934 4.848 1.086 1 1 1449 . 6 1 1 A 143 143 PHE C C 356 174.526 174.801 -0.275 1 1 1450 . 6 1 1 A 143 143 PHE CA C 356 55.909 57.797 -1.888 1 1 1451 . 6 1 1 A 143 143 PHE CB C 356 39.923 40.308 -0.385 1 1 1454 . 6 1 1 A 143 143 PHE N N 356 119.801 125.592 -5.791 1 1 1455 . 6 1 1 A 144 144 ILE H H 357 9.020 8.697 0.323 1 1 1456 . 6 1 1 A 144 144 ILE HA H 357 5.040 5.130 -0.090 1 1 1466 . 6 1 1 A 144 144 ILE C C 357 173.323 175.127 -1.804 1 1 1467 . 6 1 1 A 144 144 ILE CA C 357 59.479 59.735 -0.256 1 1 1468 . 6 1 1 A 144 144 ILE CB C 357 40.898 42.140 -1.242 1 1 1472 . 6 1 1 A 144 144 ILE N N 357 121.194 121.153 0.041 1 1 1473 . 6 1 1 A 145 145 GLN H H 358 8.856 8.784 0.072 1 1 1474 . 6 1 1 A 145 145 GLN HA H 358 4.670 4.641 0.029 1 1 1475 . 6 1 1 A 145 145 GLN C C 358 171.591 174.164 -2.573 1 1 1476 . 6 1 1 A 145 145 GLN CA C 358 53.648 55.618 -1.970 1 1 1477 . 6 1 1 A 145 145 GLN CB C 358 30.373 29.170 1.203 1 1 1479 . 6 1 1 A 145 145 GLN N N 358 128.880 125.348 3.532 1 1 1480 . 6 1 1 A 146 146 ALA H H 359 8.418 7.530 0.888 1 1 1481 . 6 1 1 A 146 146 ALA HA H 359 5.247 4.656 0.591 1 1 1485 . 6 1 1 A 146 146 ALA C C 359 175.319 177.037 -1.718 1 1 1486 . 6 1 1 A 146 146 ALA CA C 359 50.243 50.382 -0.139 1 1 1487 . 6 1 1 A 146 146 ALA CB C 359 18.786 21.840 -3.054 1 1 1488 . 6 1 1 A 146 146 ALA N N 359 128.349 122.729 5.620 1 1 1489 . 6 1 1 A 147 147 ALA H H 360 8.161 8.728 -0.567 1 1 1490 . 6 1 1 A 147 147 ALA HA H 360 4.343 4.780 -0.437 1 1 1494 . 6 1 1 A 147 147 ALA C C 360 177.238 176.386 0.852 1 1 1495 . 6 1 1 A 147 147 ALA CA C 360 52.078 50.998 1.080 1 1 1496 . 6 1 1 A 147 147 ALA CB C 360 20.003 19.965 0.038 1 1 1497 . 6 1 1 A 147 147 ALA N N 360 123.005 122.891 0.114 1 1 1498 . 6 1 1 A 148 148 GLN H H 361 8.461 7.830 0.631 1 1 1499 . 6 1 1 A 148 148 GLN HA H 361 4.663 4.843 -0.180 1 1 1504 . 6 1 1 A 148 148 GLN C C 361 176.333 175.497 0.836 1 1 1505 . 6 1 1 A 148 148 GLN CA C 361 55.760 54.747 1.013 1 1 1506 . 6 1 1 A 148 148 GLN CB C 361 29.937 32.763 -2.826 1 1 1508 . 6 1 1 A 148 148 GLN N N 361 120.296 115.891 4.405 1 1 1509 . 6 1 1 A 149 149 GLY H H 362 8.631 8.711 -0.080 1 1 1510 . 6 1 1 A 149 149 GLY HA2 H 362 3.858 4.065 -0.207 1 1 1511 . 6 1 1 A 149 149 GLY HA3 H 362 3.858 4.067 -0.209 1 1 1512 . 6 1 1 A 149 149 GLY C C 362 172.022 173.261 -1.239 1 1 1513 . 6 1 1 A 149 149 GLY CA C 362 44.969 45.578 -0.609 1 1 1514 . 6 1 1 A 149 149 GLY N N 362 109.782 109.271 0.511 1 1 1515 . 6 1 1 A 150 150 ASP H H 363 7.566 7.915 -0.349 1 1 1516 . 6 1 1 A 150 150 ASP HA H 363 4.661 5.264 -0.603 1 1 1519 . 6 1 1 A 150 150 ASP C C 363 174.446 173.570 0.876 1 1 1520 . 6 1 1 A 150 150 ASP CA C 363 57.776 52.865 4.911 1 1 1521 . 6 1 1 A 150 150 ASP CB C 363 39.423 44.959 -5.536 1 1 1522 . 6 1 1 A 150 150 ASP N N 363 118.182 119.503 -1.321 1 1 1523 . 6 1 1 A 153 153 GLN HA H 366 4.665 4.270 0.395 1 1 1530 . 6 1 1 A 153 153 GLN CA C 366 53.779 55.885 -2.106 1 1 1531 . 6 1 1 A 153 153 GLN CB C 366 28.988 29.693 -0.705 1 1 1534 . 6 1 1 A 155 155 GLY HA2 H 368 3.899 4.202 -0.303 1 1 1535 . 6 1 1 A 155 155 GLY HA3 H 368 3.899 4.247 -0.348 1 1 1536 . 6 1 1 A 155 155 GLY CA C 368 45.013 45.287 -0.274 1 1 1537 . 6 1 1 A 156 156 ILE H H 369 7.871 8.676 -0.805 1 1 1538 . 6 1 1 A 156 156 ILE HA H 369 4.428 4.676 -0.248 1 1 1548 . 6 1 1 A 156 156 ILE C C 369 174.196 175.807 -1.611 1 1 1549 . 6 1 1 A 156 156 ILE CA C 369 58.676 57.264 1.412 1 1 1550 . 6 1 1 A 156 156 ILE CB C 369 38.516 39.249 -0.733 1 1 1554 . 6 1 1 A 156 156 ILE N N 369 120.958 121.483 -0.525 1 1 1555 . 6 1 1 A 157 157 PRO HA H 370 4.386 4.518 -0.132 1 1 1562 . 6 1 1 A 157 157 PRO C C 370 176.218 176.219 -0.001 1 1 1563 . 6 1 1 A 157 157 PRO CA C 370 63.431 63.926 -0.495 1 1 1564 . 6 1 1 A 157 157 PRO CB C 370 31.913 31.758 0.155 1 1 1567 . 6 1 1 A 158 158 VAL H H 371 8.137 7.576 0.561 1 1 1568 . 6 1 1 A 158 158 VAL HA H 371 4.089 4.067 0.022 1 1 1576 . 6 1 1 A 158 158 VAL C C 371 175.904 175.650 0.254 1 1 1577 . 6 1 1 A 158 158 VAL CA C 371 62.121 61.563 0.558 1 1 1578 . 6 1 1 A 158 158 VAL CB C 371 32.958 32.654 0.304 1 1 1581 . 6 1 1 A 158 158 VAL N N 371 119.640 115.526 4.114 1 1 1582 . 6 1 1 A 159 159 GLU H H 372 8.523 8.907 -0.384 1 1 1583 . 6 1 1 A 159 159 GLU HA H 372 4.345 5.112 -0.767 1 1 1588 . 6 1 1 A 159 159 GLU C C 372 176.068 174.833 1.235 1 1 1589 . 6 1 1 A 159 159 GLU CA C 372 56.474 54.686 1.788 1 1 1590 . 6 1 1 A 159 159 GLU CB C 372 30.078 33.543 -3.465 1 1 1592 . 6 1 1 A 159 159 GLU N N 372 123.765 122.060 1.705 1 1 1593 . 6 1 1 A 160 160 THR H H 373 8.096 8.639 -0.543 1 1 1594 . 6 1 1 A 160 160 THR HA H 373 4.311 4.952 -0.641 1 1 1599 . 6 1 1 A 160 160 THR C C 373 173.701 173.221 0.480 1 1 1600 . 6 1 1 A 160 160 THR CA C 373 61.845 60.917 0.928 1 1 1601 . 6 1 1 A 160 160 THR CB C 373 69.760 70.543 -0.783 1 1 1603 . 6 1 1 A 160 160 THR N N 373 114.143 112.366 1.777 1 1 1604 . 6 1 1 A 161 161 ASP H H 374 8.387 8.801 -0.414 1 1 1605 . 6 1 1 A 161 161 ASP HA H 374 4.625 4.706 -0.081 1 1 1608 . 6 1 1 A 161 161 ASP C C 374 175.806 177.499 -1.693 1 1 1609 . 6 1 1 A 161 161 ASP CA C 374 54.478 56.093 -1.615 1 1 1610 . 6 1 1 A 161 161 ASP CB C 374 41.096 41.808 -0.712 1 1 1611 . 6 1 1 A 161 161 ASP N N 374 122.070 126.050 -3.980 1 1 1612 . 6 1 1 A 162 162 SER H H 375 8.175 8.109 0.066 1 1 1613 . 6 1 1 A 162 162 SER HA H 375 4.385 4.117 0.268 1 1 1616 . 6 1 1 A 162 162 SER C C 375 174.169 174.659 -0.490 1 1 1617 . 6 1 1 A 162 162 SER CA C 375 58.631 61.514 -2.883 1 1 1618 . 6 1 1 A 162 162 SER CB C 375 63.814 62.870 0.944 1 1 1619 . 6 1 1 A 162 162 SER N N 375 115.346 113.718 1.628 1 1 1620 . 6 1 1 A 163 163 GLU H H 376 8.424 8.137 0.287 1 1 1621 . 6 1 1 A 163 163 GLU HA H 376 4.263 4.113 0.150 1 1 1626 . 6 1 1 A 163 163 GLU C C 376 175.959 176.291 -0.332 1 1 1627 . 6 1 1 A 163 163 GLU CA C 376 56.567 57.151 -0.584 1 1 1628 . 6 1 1 A 163 163 GLU CB C 376 30.044 27.359 2.685 1 1 1630 . 6 1 1 A 163 163 GLU N N 376 122.034 117.856 4.178 1 1 1631 . 6 1 1 A 164 164 GLU H H 377 8.298 8.164 0.134 1 1 1632 . 6 1 1 A 164 164 GLU HA H 377 4.224 4.342 -0.118 1 1 1637 . 6 1 1 A 164 164 GLU C C 377 175.816 177.821 -2.005 1 1 1638 . 6 1 1 A 164 164 GLU CA C 377 56.489 56.178 0.311 1 1 1639 . 6 1 1 A 164 164 GLU CB C 377 30.220 31.224 -1.004 1 1 1641 . 6 1 1 A 164 164 GLU N N 377 120.980 124.205 -3.225 1 1 1642 . 6 1 1 A 165 165 GLN H H 378 8.340 8.736 -0.396 1 1 1643 . 6 1 1 A 165 165 GLN HA H 378 4.563 3.985 0.578 1 1 1645 . 6 1 1 A 165 165 GLN C C 378 173.510 177.005 -3.495 1 1 1646 . 6 1 1 A 165 165 GLN CA C 378 53.530 60.712 -7.182 1 1 1647 . 6 1 1 A 165 165 GLN CB C 378 28.816 28.046 0.770 1 1 1649 . 6 1 1 A 165 165 GLN N N 378 121.693 123.828 -2.135 1 1 1650 . 6 1 1 A 166 166 PRO HA H 379 4.381 4.744 -0.363 1 1 1657 . 6 1 1 A 166 166 PRO C C 379 176.081 176.145 -0.064 1 1 1658 . 6 1 1 A 166 166 PRO CA C 379 63.260 62.427 0.833 1 1 1659 . 6 1 1 A 166 166 PRO CB C 379 32.010 29.350 2.660 1 1 1662 . 6 1 1 A 167 167 TYR H H 380 8.116 8.447 -0.331 1 1 1663 . 6 1 1 A 167 167 TYR HA H 380 4.513 4.666 -0.153 1 1 1668 . 6 1 1 A 167 167 TYR C C 380 174.992 175.103 -0.111 1 1 1669 . 6 1 1 A 167 167 TYR CA C 380 57.699 57.564 0.135 1 1 1670 . 6 1 1 A 167 167 TYR CB C 380 38.344 39.896 -1.552 1 1 1673 . 6 1 1 A 167 167 TYR N N 380 119.531 119.599 -0.068 1 1 1674 . 6 1 1 A 168 168 LEU H H 381 7.953 8.353 -0.400 1 1 1675 . 6 1 1 A 168 168 LEU HA H 381 4.267 4.840 -0.573 1 1 1685 . 6 1 1 A 168 168 LEU C C 381 176.162 174.774 1.388 1 1 1686 . 6 1 1 A 168 168 LEU CA C 381 54.808 52.571 2.237 1 1 1687 . 6 1 1 A 168 168 LEU CB C 381 42.735 46.245 -3.510 1 1 1691 . 6 1 1 A 168 168 LEU N N 381 124.133 114.498 9.635 1 1 1692 . 6 1 1 A 169 169 GLU H H 382 8.190 8.715 -0.525 1 1 1693 . 6 1 1 A 169 169 GLU HA H 382 4.167 4.771 -0.604 1 1 1698 . 6 1 1 A 169 169 GLU C C 382 175.881 174.524 1.357 1 1 1699 . 6 1 1 A 169 169 GLU CA C 382 56.655 55.230 1.425 1 1 1700 . 6 1 1 A 169 169 GLU CB C 382 30.058 31.771 -1.713 1 1 1702 . 6 1 1 A 169 169 GLU N N 382 121.131 117.452 3.679 1 1 1703 . 6 1 1 A 170 170 MET H H 383 8.214 8.826 -0.612 1 1 1704 . 6 1 1 A 170 170 MET HA H 383 4.377 5.222 -0.845 1 1 1709 . 6 1 1 A 170 170 MET C C 383 175.132 174.220 0.912 1 1 1710 . 6 1 1 A 170 170 MET CA C 383 55.606 54.580 1.026 1 1 1711 . 6 1 1 A 170 170 MET CB C 383 33.091 32.912 0.179 1 1 1713 . 6 1 1 A 170 170 MET N N 383 120.601 117.937 2.664 1 1 1714 . 6 1 1 A 171 171 ASP H H 384 8.358 9.034 -0.676 1 1 1715 . 6 1 1 A 171 171 ASP HA H 384 4.575 5.460 -0.885 1 1 1718 . 6 1 1 A 171 171 ASP C C 384 175.966 174.762 1.204 1 1 1719 . 6 1 1 A 171 171 ASP CA C 384 53.741 52.894 0.847 1 1 1720 . 6 1 1 A 171 171 ASP CB C 384 40.571 44.647 -4.076 1 1 1721 . 6 1 1 A 171 171 ASP N N 384 121.104 124.388 -3.284 1 1 1722 . 6 1 1 A 172 172 LEU H H 385 8.285 8.695 -0.410 1 1 1723 . 6 1 1 A 172 172 LEU HA H 385 4.305 5.100 -0.795 1 1 1733 . 6 1 1 A 172 172 LEU C C 385 177.140 176.578 0.562 1 1 1734 . 6 1 1 A 172 172 LEU CA C 385 55.122 53.252 1.870 1 1 1735 . 6 1 1 A 172 172 LEU CB C 385 41.851 45.450 -3.599 1 1 1739 . 6 1 1 A 172 172 LEU N N 385 123.115 119.372 3.743 1 1 1740 . 6 1 1 A 173 173 SER H H 386 8.290 8.882 -0.592 1 1 1741 . 6 1 1 A 173 173 SER N N 386 115.101 116.180 -1.079 1 1 1742 . 6 1 1 A 176 176 GLN HA H 389 4.383 4.811 -0.428 1 1 1749 . 6 1 1 A 176 176 GLN CA C 389 55.991 54.846 1.145 1 1 1750 . 6 1 1 A 176 176 GLN CB C 389 29.280 31.027 -1.747 1 1 1753 . 6 1 1 A 177 177 THR H H 390 6.958 8.881 -1.923 1 1 1754 . 6 1 1 A 177 177 THR HA H 390 3.970 4.578 -0.608 1 1 1759 . 6 1 1 A 177 177 THR C C 390 172.764 172.808 -0.044 1 1 1760 . 6 1 1 A 177 177 THR CA C 390 62.221 60.251 1.970 1 1 1761 . 6 1 1 A 177 177 THR CB C 390 69.382 70.991 -1.609 1 1 1763 . 6 1 1 A 177 177 THR N N 390 115.463 120.123 -4.660 1 1 1764 . 6 1 1 A 178 178 ARG H H 391 7.873 8.760 -0.887 1 1 1765 . 6 1 1 A 178 178 ARG C C 391 174.982 175.827 -0.845 1 1 1766 . 6 1 1 A 178 178 ARG CA C 391 55.266 56.977 -1.711 1 1 1767 . 6 1 1 A 178 178 ARG CB C 391 31.052 27.772 3.280 1 1 1769 . 6 1 1 A 178 178 ARG N N 391 122.116 123.592 -1.476 1 1 1770 . 6 1 1 A 179 179 TYR H H 392 8.812 8.063 0.749 1 1 1771 . 6 1 1 A 179 179 TYR HA H 392 4.621 4.581 0.040 1 1 1776 . 6 1 1 A 179 179 TYR C C 392 174.337 176.589 -2.252 1 1 1777 . 6 1 1 A 179 179 TYR CA C 392 57.444 61.394 -3.950 1 1 1778 . 6 1 1 A 179 179 TYR CB C 392 40.623 38.773 1.850 1 1 1781 . 6 1 1 A 179 179 TYR N N 392 118.296 118.321 -0.025 1 1 1782 . 6 1 1 A 180 180 ILE H H 393 7.254 7.341 -0.087 1 1 1783 . 6 1 1 A 180 180 ILE HA H 393 4.610 3.723 0.887 1 1 1793 . 6 1 1 A 180 180 ILE C C 393 171.654 174.536 -2.882 1 1 1794 . 6 1 1 A 180 180 ILE CA C 393 56.916 59.400 -2.484 1 1 1795 . 6 1 1 A 180 180 ILE CB C 393 39.736 38.943 0.793 1 1 1799 . 6 1 1 A 180 180 ILE N N 393 108.609 119.672 -11.063 1 1 1800 . 6 1 1 A 181 181 PRO HA H 394 4.709 4.705 0.004 1 1 1807 . 6 1 1 A 181 181 PRO C C 394 173.910 176.013 -2.103 1 1 1808 . 6 1 1 A 181 181 PRO CA C 394 62.144 62.335 -0.191 1 1 1809 . 6 1 1 A 181 181 PRO CB C 394 32.527 33.103 -0.576 1 1 1812 . 6 1 1 A 182 182 ASP H H 395 8.296 8.611 -0.315 1 1 1813 . 6 1 1 A 182 182 ASP HA H 395 4.665 4.853 -0.188 1 1 1816 . 6 1 1 A 182 182 ASP C C 395 175.120 176.327 -1.207 1 1 1817 . 6 1 1 A 182 182 ASP CA C 395 52.455 53.320 -0.865 1 1 1818 . 6 1 1 A 182 182 ASP CB C 395 38.742 41.103 -2.361 1 1 1819 . 6 1 1 A 182 182 ASP N N 395 120.042 120.977 -0.935 1 1 1820 . 6 1 1 A 183 183 GLU H H 396 7.651 7.964 -0.313 1 1 1821 . 6 1 1 A 183 183 GLU HA H 396 4.492 4.437 0.055 1 1 1826 . 6 1 1 A 183 183 GLU C C 396 173.702 175.698 -1.996 1 1 1827 . 6 1 1 A 183 183 GLU CA C 396 54.897 56.307 -1.410 1 1 1828 . 6 1 1 A 183 183 GLU CB C 396 32.509 31.314 1.195 1 1 1830 . 6 1 1 A 183 183 GLU N N 396 117.840 119.116 -1.276 1 1 1831 . 6 1 1 A 184 184 ALA H H 397 8.365 8.518 -0.153 1 1 1832 . 6 1 1 A 184 184 ALA HA H 397 4.394 5.005 -0.611 1 1 1836 . 6 1 1 A 184 184 ALA C C 397 175.829 175.690 0.139 1 1 1837 . 6 1 1 A 184 184 ALA CA C 397 52.770 50.743 2.027 1 1 1838 . 6 1 1 A 184 184 ALA CB C 397 20.682 22.307 -1.625 1 1 1839 . 6 1 1 A 184 184 ALA N N 397 121.613 121.277 0.336 1 1 1840 . 6 1 1 A 185 185 ASP H H 398 7.245 8.663 -1.418 1 1 1841 . 6 1 1 A 185 185 ASP HA H 398 4.092 4.316 -0.224 1 1 1844 . 6 1 1 A 185 185 ASP C C 398 172.730 175.108 -2.378 1 1 1845 . 6 1 1 A 185 185 ASP CA C 398 56.144 55.902 0.242 1 1 1846 . 6 1 1 A 185 185 ASP CB C 398 39.841 39.697 0.144 1 1 1847 . 6 1 1 A 185 185 ASP N N 398 105.829 115.639 -9.810 1 1 1848 . 6 1 1 A 186 186 PHE H H 399 8.467 7.327 1.140 1 1 1849 . 6 1 1 A 186 186 PHE HA H 399 5.486 5.330 0.156 1 1 1852 . 6 1 1 A 186 186 PHE C C 399 176.218 172.895 3.323 1 1 1853 . 6 1 1 A 186 186 PHE CA C 399 57.959 56.327 1.632 1 1 1854 . 6 1 1 A 186 186 PHE CB C 399 44.529 41.041 3.488 1 1 1855 . 6 1 1 A 186 186 PHE N N 399 116.177 113.130 3.047 1 1 1856 . 6 1 1 A 187 187 LEU H H 400 8.964 8.687 0.277 1 1 1857 . 6 1 1 A 187 187 LEU HA H 400 4.963 4.669 0.294 1 1 1867 . 6 1 1 A 187 187 LEU C C 400 171.747 174.793 -3.046 1 1 1868 . 6 1 1 A 187 187 LEU CA C 400 55.422 52.914 2.508 1 1 1869 . 6 1 1 A 187 187 LEU CB C 400 45.641 46.153 -0.512 1 1 1873 . 6 1 1 A 187 187 LEU N N 400 121.383 116.578 4.805 1 1 1874 . 6 1 1 A 188 188 LEU H H 401 9.312 8.519 0.793 1 1 1875 . 6 1 1 A 188 188 LEU HA H 401 5.580 5.136 0.444 1 1 1885 . 6 1 1 A 188 188 LEU C C 401 173.853 177.942 -4.089 1 1 1886 . 6 1 1 A 188 188 LEU CA C 401 53.421 52.806 0.615 1 1 1887 . 6 1 1 A 188 188 LEU CB C 401 45.403 44.131 1.272 1 1 1891 . 6 1 1 A 188 188 LEU N N 401 128.151 119.979 8.172 1 1 1892 . 6 1 1 A 189 189 GLY H H 402 9.415 9.222 0.193 1 1 1893 . 6 1 1 A 189 189 GLY HA2 H 402 4.670 4.116 0.554 1 1 1894 . 6 1 1 A 189 189 GLY HA3 H 402 3.663 4.178 -0.515 1 1 1895 . 6 1 1 A 189 189 GLY C C 402 171.014 174.523 -3.509 1 1 1896 . 6 1 1 A 189 189 GLY CA C 402 44.967 46.759 -1.792 1 1 1897 . 6 1 1 A 189 189 GLY N N 402 115.881 111.747 4.134 1 1 1898 . 6 1 1 A 190 190 MET H H 403 8.118 7.765 0.353 1 1 1899 . 6 1 1 A 190 190 MET HA H 403 5.314 4.628 0.686 1 1 1907 . 6 1 1 A 190 190 MET C C 403 173.744 174.887 -1.143 1 1 1908 . 6 1 1 A 190 190 MET CA C 403 53.284 55.463 -2.179 1 1 1909 . 6 1 1 A 190 190 MET CB C 403 36.614 34.168 2.446 1 1 1912 . 6 1 1 A 190 190 MET N N 403 122.165 120.042 2.123 1 1 1934 . 6 1 1 A 203 203 ALA H H 416 8.076 8.369 -0.293 1 1 1935 . 6 1 1 A 203 203 ALA HA H 416 4.228 4.855 -0.627 1 1 1939 . 6 1 1 A 203 203 ALA C C 416 176.895 176.029 0.866 1 1 1940 . 6 1 1 A 203 203 ALA CA C 416 52.743 51.008 1.735 1 1 1941 . 6 1 1 A 203 203 ALA CB C 416 18.723 23.934 -5.211 1 1 1942 . 6 1 1 A 203 203 ALA N N 416 119.053 122.917 -3.864 1 1 1943 . 6 1 1 A 204 204 GLU H H 417 7.784 8.220 -0.436 1 1 1944 . 6 1 1 A 204 204 GLU HA H 417 4.350 4.659 -0.309 1 1 1949 . 6 1 1 A 204 204 GLU C C 417 175.678 177.495 -1.817 1 1 1950 . 6 1 1 A 204 204 GLU CA C 417 55.650 55.403 0.247 1 1 1951 . 6 1 1 A 204 204 GLU CB C 417 30.312 31.745 -1.433 1 1 1953 . 6 1 1 A 204 204 GLU N N 417 116.458 119.202 -2.744 1 1 1954 . 6 1 1 A 205 205 GLY H H 418 7.910 7.952 -0.042 1 1 1955 . 6 1 1 A 205 205 GLY CA C 418 43.804 47.175 -3.371 1 1 1956 . 6 1 1 A 205 205 GLY N N 418 108.024 110.423 -2.399 1 1 1957 . 6 1 1 A 206 206 THR H H 419 8.364 8.106 0.258 1 1 1958 . 6 1 1 A 206 206 THR HA H 419 4.316 4.518 -0.202 1 1 1963 . 6 1 1 A 206 206 THR CA C 419 64.682 62.520 2.162 1 1 1964 . 6 1 1 A 206 206 THR CB C 419 69.304 69.325 -0.021 1 1 1966 . 6 1 1 A 206 206 THR N N 419 115.417 113.983 1.434 1 1 1967 . 6 1 1 A 207 207 TRP HA H 420 4.116 5.013 -0.897 1 1 1976 . 6 1 1 A 207 207 TRP CA C 420 61.178 56.700 4.478 1 1 1977 . 6 1 1 A 207 207 TRP CB C 420 28.670 31.625 -2.955 1 1 1984 . 6 1 1 A 209 209 ILE H H 422 6.744 8.750 -2.006 1 1 1985 . 6 1 1 A 209 209 ILE HA H 422 3.349 4.046 -0.697 1 1 1993 . 6 1 1 A 209 209 ILE C C 422 178.143 177.918 0.225 1 1 1994 . 6 1 1 A 209 209 ILE CA C 422 60.865 63.622 -2.757 1 1 1995 . 6 1 1 A 209 209 ILE CB C 422 34.371 37.639 -3.268 1 1 1999 . 6 1 1 A 209 209 ILE N N 422 113.211 126.584 -13.373 1 1 2000 . 6 1 1 A 210 210 GLN H H 423 8.252 8.417 -0.165 1 1 2001 . 6 1 1 A 210 210 GLN HA H 423 3.548 4.128 -0.580 1 1 2006 . 6 1 1 A 210 210 GLN C C 423 179.079 177.853 1.226 1 1 2007 . 6 1 1 A 210 210 GLN CA C 423 58.795 58.656 0.139 1 1 2008 . 6 1 1 A 210 210 GLN CB C 423 26.704 28.821 -2.117 1 1 2010 . 6 1 1 A 210 210 GLN N N 423 116.455 122.276 -5.821 1 1 2011 . 6 1 1 A 211 211 SER H H 424 8.162 8.194 -0.032 1 1 2012 . 6 1 1 A 211 211 SER HA H 424 3.961 4.366 -0.405 1 1 2015 . 6 1 1 A 211 211 SER C C 424 179.150 176.676 2.474 1 1 2016 . 6 1 1 A 211 211 SER CA C 424 61.850 60.977 0.873 1 1 2017 . 6 1 1 A 211 211 SER CB C 424 62.214 63.452 -1.238 1 1 2018 . 6 1 1 A 211 211 SER N N 424 115.041 117.254 -2.213 1 1 2019 . 6 1 1 A 212 212 LEU H H 425 8.061 8.266 -0.205 1 1 2020 . 6 1 1 A 212 212 LEU HA H 425 3.540 4.061 -0.521 1 1 2030 . 6 1 1 A 212 212 LEU C C 425 177.566 178.319 -0.753 1 1 2031 . 6 1 1 A 212 212 LEU CA C 425 58.548 57.967 0.581 1 1 2032 . 6 1 1 A 212 212 LEU CB C 425 41.665 41.250 0.415 1 1 2036 . 6 1 1 A 212 212 LEU N N 425 124.082 122.370 1.712 1 1 2037 . 6 1 1 A 213 213 CYS H H 426 7.940 7.814 0.126 1 1 2038 . 6 1 1 A 213 213 CYS HA H 426 3.628 3.931 -0.303 1 1 2041 . 6 1 1 A 213 213 CYS C C 426 175.741 176.532 -0.791 1 1 2042 . 6 1 1 A 213 213 CYS CA C 426 65.159 62.541 2.618 1 1 2043 . 6 1 1 A 213 213 CYS CB C 426 49.251 26.466 22.785 1 1 2044 . 6 1 1 A 213 213 CYS N N 426 114.351 118.360 -4.009 1 1 2045 . 6 1 1 A 214 214 GLN H H 427 7.510 8.299 -0.789 1 1 2046 . 6 1 1 A 214 214 GLN HA H 427 3.772 4.116 -0.344 1 1 2051 . 6 1 1 A 214 214 GLN C C 427 177.769 178.181 -0.412 1 1 2052 . 6 1 1 A 214 214 GLN CA C 427 59.019 57.647 1.372 1 1 2053 . 6 1 1 A 214 214 GLN CB C 427 27.718 27.110 0.608 1 1 2055 . 6 1 1 A 214 214 GLN N N 427 117.399 118.999 -1.600 1 1 2056 . 6 1 1 A 215 215 SER H H 428 7.906 8.310 -0.404 1 1 2057 . 6 1 1 A 215 215 SER HA H 428 4.173 4.217 -0.044 1 1 2060 . 6 1 1 A 215 215 SER CA C 428 62.653 62.655 -0.002 1 1 2061 . 6 1 1 A 215 215 SER CB C 428 62.889 63.440 -0.551 1 1 2062 . 6 1 1 A 215 215 SER N N 428 113.799 118.346 -4.547 1 1 2063 . 6 1 1 A 216 216 LEU H H 429 8.505 8.322 0.183 1 1 2064 . 6 1 1 A 216 216 LEU HA H 429 4.156 3.909 0.247 1 1 2071 . 6 1 1 A 216 216 LEU C C 429 178.848 178.240 0.608 1 1 2072 . 6 1 1 A 216 216 LEU CA C 429 58.053 58.344 -0.291 1 1 2073 . 6 1 1 A 216 216 LEU CB C 429 41.222 41.597 -0.375 1 1 2076 . 6 1 1 A 216 216 LEU N N 429 121.357 119.385 1.972 1 1 2077 . 6 1 1 A 217 217 ARG H H 430 7.972 8.664 -0.692 1 1 2078 . 6 1 1 A 217 217 ARG HA H 430 3.850 3.957 -0.107 1 1 2085 . 6 1 1 A 217 217 ARG C C 430 178.237 177.016 1.221 1 1 2086 . 6 1 1 A 217 217 ARG CA C 430 59.472 58.226 1.246 1 1 2087 . 6 1 1 A 217 217 ARG CB C 430 30.256 29.729 0.527 1 1 2090 . 6 1 1 A 217 217 ARG N N 430 116.018 120.913 -4.895 1 1 2091 . 6 1 1 A 218 218 GLU H H 431 7.583 8.256 -0.673 1 1 2092 . 6 1 1 A 218 218 GLU HA H 431 4.119 4.448 -0.329 1 1 2096 . 6 1 1 A 218 218 GLU C C 431 178.377 176.745 1.632 1 1 2097 . 6 1 1 A 218 218 GLU CA C 431 58.207 56.251 1.956 1 1 2098 . 6 1 1 A 218 218 GLU CB C 431 30.548 30.132 0.416 1 1 2100 . 6 1 1 A 218 218 GLU N N 431 113.645 118.105 -4.460 1 1 2101 . 6 1 1 A 219 219 ARG H H 432 8.621 7.745 0.876 1 1 2102 . 6 1 1 A 219 219 ARG HA H 432 4.180 4.555 -0.375 1 1 2103 . 6 1 1 A 219 219 ARG C C 432 178.455 178.418 0.037 1 1 2104 . 6 1 1 A 219 219 ARG CA C 432 58.428 57.110 1.318 1 1 2105 . 6 1 1 A 219 219 ARG CB C 432 30.936 32.073 -1.137 1 1 2107 . 6 1 1 A 219 219 ARG N N 432 114.272 119.691 -5.419 1 1 2108 . 6 1 1 A 220 220 CYS H H 433 8.828 8.435 0.393 1 1 2109 . 6 1 1 A 220 220 CYS HA H 433 4.464 4.209 0.255 1 1 2112 . 6 1 1 A 220 220 CYS C C 433 176.708 175.781 0.927 1 1 2113 . 6 1 1 A 220 220 CYS CA C 433 66.312 63.538 2.774 1 1 2114 . 6 1 1 A 220 220 CYS CB C 433 47.095 25.765 21.330 1 1 2115 . 6 1 1 A 220 220 CYS N N 433 120.012 118.233 1.779 1 1 2116 . 6 1 1 A 221 221 PRO HA H 434 4.463 4.640 -0.177 1 1 2123 . 6 1 1 A 221 221 PRO C C 434 177.064 175.763 1.301 1 1 2124 . 6 1 1 A 221 221 PRO CA C 434 65.717 62.572 3.145 1 1 2125 . 6 1 1 A 221 221 PRO CB C 434 31.169 29.287 1.882 1 1 2128 . 6 1 1 A 222 222 ARG H H 435 6.904 8.887 -1.983 1 1 2129 . 6 1 1 A 222 222 ARG HA H 435 4.331 4.590 -0.259 1 1 2136 . 6 1 1 A 222 222 ARG C C 435 176.536 176.623 -0.087 1 1 2137 . 6 1 1 A 222 222 ARG CA C 435 55.901 56.366 -0.465 1 1 2138 . 6 1 1 A 222 222 ARG CB C 435 30.116 33.222 -3.106 1 1 2141 . 6 1 1 A 222 222 ARG N N 435 112.486 122.878 -10.392 1 1 2142 . 6 1 1 A 223 223 GLY H H 436 8.160 7.887 0.273 1 1 2143 . 6 1 1 A 223 223 GLY HA2 H 436 4.237 4.036 0.201 1 1 2144 . 6 1 1 A 223 223 GLY HA3 H 436 3.643 4.053 -0.410 1 1 2145 . 6 1 1 A 223 223 GLY C C 436 173.338 174.337 -0.999 1 1 2146 . 6 1 1 A 223 223 GLY CA C 436 43.988 45.202 -1.214 1 1 2147 . 6 1 1 A 223 223 GLY N N 436 105.931 106.971 -1.040 1 1 2148 . 6 1 1 A 224 224 ASP H H 437 6.891 7.986 -1.095 1 1 2149 . 6 1 1 A 224 224 ASP HA H 437 4.500 4.878 -0.378 1 1 2151 . 6 1 1 A 224 224 ASP C C 437 173.806 175.568 -1.762 1 1 2152 . 6 1 1 A 224 224 ASP CA C 437 54.576 53.814 0.762 1 1 2153 . 6 1 1 A 224 224 ASP CB C 437 40.588 42.524 -1.936 1 1 2154 . 6 1 1 A 224 224 ASP N N 437 119.342 121.334 -1.992 1 1 2155 . 6 1 1 A 225 225 ASP H H 438 8.054 8.584 -0.530 1 1 2156 . 6 1 1 A 225 225 ASP HA H 438 4.912 4.914 -0.002 1 1 2159 . 6 1 1 A 225 225 ASP C C 438 175.631 176.374 -0.743 1 1 2160 . 6 1 1 A 225 225 ASP CA C 438 52.579 53.935 -1.356 1 1 2161 . 6 1 1 A 225 225 ASP CB C 438 42.616 41.855 0.761 1 1 2162 . 6 1 1 A 225 225 ASP N N 438 117.877 120.340 -2.463 1 1 2163 . 6 1 1 A 226 226 ILE H H 439 9.101 8.921 0.180 1 1 2164 . 6 1 1 A 226 226 ILE HA H 439 3.621 4.363 -0.742 1 1 2174 . 6 1 1 A 226 226 ILE C C 439 176.146 177.383 -1.237 1 1 2175 . 6 1 1 A 226 226 ILE CA C 439 62.602 61.918 0.684 1 1 2176 . 6 1 1 A 226 226 ILE CB C 439 36.530 38.253 -1.723 1 1 2180 . 6 1 1 A 226 226 ILE N N 439 118.352 123.134 -4.782 1 1 2181 . 6 1 1 A 227 227 LEU H H 440 7.814 7.710 0.104 1 1 2182 . 6 1 1 A 227 227 LEU HA H 440 3.918 4.205 -0.287 1 1 2192 . 6 1 1 A 227 227 LEU C C 440 179.397 178.362 1.035 1 1 2193 . 6 1 1 A 227 227 LEU CA C 440 58.566 56.394 2.172 1 1 2194 . 6 1 1 A 227 227 LEU CB C 440 40.819 42.946 -2.127 1 1 2198 . 6 1 1 A 227 227 LEU N N 440 119.906 122.434 -2.528 1 1 2199 . 6 1 1 A 228 228 THR H H 441 7.665 8.051 -0.386 1 1 2200 . 6 1 1 A 228 228 THR HA H 441 4.289 4.166 0.123 1 1 2205 . 6 1 1 A 228 228 THR C C 441 179.489 176.631 2.858 1 1 2206 . 6 1 1 A 228 228 THR CA C 441 61.837 65.100 -3.263 1 1 2207 . 6 1 1 A 228 228 THR CB C 441 69.979 68.954 1.025 1 1 2209 . 6 1 1 A 228 228 THR N N 441 120.011 114.895 5.116 1 1 2210 . 6 1 1 A 229 229 ILE H H 442 7.807 7.561 0.246 1 1 2211 . 6 1 1 A 229 229 ILE HA H 442 3.300 3.695 -0.395 1 1 2221 . 6 1 1 A 229 229 ILE C C 442 177.728 178.283 -0.555 1 1 2222 . 6 1 1 A 229 229 ILE CA C 442 66.069 65.358 0.711 1 1 2223 . 6 1 1 A 229 229 ILE CB C 442 38.260 37.898 0.362 1 1 2227 . 6 1 1 A 229 229 ILE N N 442 119.411 121.151 -1.740 1 1 2228 . 6 1 1 A 230 230 LEU H H 443 8.530 8.208 0.322 1 1 2229 . 6 1 1 A 230 230 LEU HA H 443 3.958 4.035 -0.077 1 1 2239 . 6 1 1 A 230 230 LEU C C 443 178.689 178.033 0.656 1 1 2240 . 6 1 1 A 230 230 LEU CA C 443 57.697 57.823 -0.126 1 1 2241 . 6 1 1 A 230 230 LEU CB C 443 42.191 41.548 0.643 1 1 2245 . 6 1 1 A 230 230 LEU N N 443 116.186 119.395 -3.209 1 1 2246 . 6 1 1 A 231 231 THR H H 444 8.008 7.832 0.176 1 1 2247 . 6 1 1 A 231 231 THR HA H 444 4.153 4.534 -0.381 1 1 2252 . 6 1 1 A 231 231 THR C C 444 175.208 176.143 -0.935 1 1 2253 . 6 1 1 A 231 231 THR CA C 444 65.327 62.417 2.910 1 1 2254 . 6 1 1 A 231 231 THR CB C 444 69.718 69.503 0.215 1 1 2256 . 6 1 1 A 231 231 THR N N 444 112.075 110.842 1.233 1 1 2257 . 6 1 1 A 232 232 GLU H H 445 7.717 7.927 -0.210 1 1 2258 . 6 1 1 A 232 232 GLU HA H 445 4.186 4.171 0.015 1 1 2259 . 6 1 1 A 232 232 GLU C C 445 177.156 178.668 -1.512 1 1 2260 . 6 1 1 A 232 232 GLU CA C 445 57.891 58.825 -0.934 1 1 2261 . 6 1 1 A 232 232 GLU CB C 445 28.836 29.334 -0.498 1 1 2263 . 6 1 1 A 232 232 GLU N N 445 120.074 121.779 -1.705 1 1 2294 . 6 1 1 A 252 252 GLN H H 465 8.586 8.448 0.138 1 1 2295 . 6 1 1 A 252 252 GLN HA H 465 4.689 4.974 -0.285 1 1 2296 . 6 1 1 A 252 252 GLN C C 465 174.446 172.760 1.686 1 1 2297 . 6 1 1 A 252 252 GLN CA C 465 53.682 53.429 0.253 1 1 2298 . 6 1 1 A 252 252 GLN CB C 465 28.537 29.638 -1.101 1 1 2300 . 6 1 1 A 252 252 GLN N N 465 121.782 119.654 2.128 1 1 2301 . 6 1 1 A 253 253 PRO HA H 466 4.902 4.767 0.135 1 1 2302 . 6 1 1 A 253 253 PRO C C 466 174.937 176.286 -1.349 1 1 2303 . 6 1 1 A 253 253 PRO CA C 466 63.075 62.803 0.272 1 1 2304 . 6 1 1 A 253 253 PRO CB C 466 32.384 33.307 -0.923 1 1 2307 . 6 1 1 A 254 254 THR H H 467 8.556 8.419 0.137 1 1 2308 . 6 1 1 A 254 254 THR HA H 467 4.659 4.925 -0.266 1 1 2313 . 6 1 1 A 254 254 THR C C 467 172.995 173.606 -0.611 1 1 2314 . 6 1 1 A 254 254 THR CA C 467 61.740 59.857 1.883 1 1 2315 . 6 1 1 A 254 254 THR CB C 467 70.195 69.272 0.923 1 1 2317 . 6 1 1 A 254 254 THR N N 467 115.754 110.933 4.821 1 1 2318 . 6 1 1 A 255 255 PHE H H 468 8.560 8.330 0.230 1 1 2319 . 6 1 1 A 255 255 PHE HA H 468 5.502 5.359 0.143 1 1 2322 . 6 1 1 A 255 255 PHE C C 468 173.198 173.779 -0.581 1 1 2323 . 6 1 1 A 255 255 PHE CA C 468 56.283 55.609 0.674 1 1 2324 . 6 1 1 A 255 255 PHE CB C 468 43.426 42.863 0.563 1 1 2325 . 6 1 1 A 255 255 PHE N N 468 120.481 121.442 -0.961 1 1 2326 . 6 1 1 A 256 256 THR H H 469 9.702 8.836 0.866 1 1 2327 . 6 1 1 A 256 256 THR HA H 469 4.662 4.974 -0.312 1 1 2332 . 6 1 1 A 256 256 THR C C 469 176.561 173.099 3.462 1 1 2333 . 6 1 1 A 256 256 THR CA C 469 59.948 60.168 -0.220 1 1 2334 . 6 1 1 A 256 256 THR CB C 469 69.145 69.325 -0.180 1 1 2336 . 6 1 1 A 256 256 THR N N 469 108.601 112.166 -3.565 1 1 2337 . 6 1 1 A 257 257 LEU H H 470 7.235 9.084 -1.849 1 1 2338 . 6 1 1 A 257 257 LEU HA H 470 4.401 5.062 -0.661 1 1 2348 . 6 1 1 A 257 257 LEU C C 470 175.975 176.743 -0.768 1 1 2349 . 6 1 1 A 257 257 LEU CA C 470 55.492 53.780 1.712 1 1 2350 . 6 1 1 A 257 257 LEU CB C 470 41.850 45.443 -3.593 1 1 2354 . 6 1 1 A 257 257 LEU N N 470 120.802 127.452 -6.650 1 1 2355 . 6 1 1 A 258 258 ARG H H 471 8.228 8.905 -0.677 1 1 2356 . 6 1 1 A 258 258 ARG HA H 471 4.631 4.517 0.114 1 1 2363 . 6 1 1 A 258 258 ARG C C 471 174.114 176.107 -1.993 1 1 2364 . 6 1 1 A 258 258 ARG CA C 471 55.071 57.009 -1.938 1 1 2365 . 6 1 1 A 258 258 ARG CB C 471 32.470 31.581 0.889 1 1 2368 . 6 1 1 A 258 258 ARG N N 471 118.883 120.963 -2.080 1 1 2369 . 6 1 1 A 259 259 LYS H H 472 7.217 7.555 -0.338 1 1 2370 . 6 1 1 A 259 259 LYS HA H 472 4.260 4.632 -0.372 1 1 2379 . 6 1 1 A 259 259 LYS C C 472 174.571 175.438 -0.867 1 1 2380 . 6 1 1 A 259 259 LYS CA C 472 53.269 55.282 -2.013 1 1 2381 . 6 1 1 A 259 259 LYS CB C 472 36.332 33.829 2.503 1 1 2385 . 6 1 1 A 259 259 LYS N N 472 116.031 117.289 -1.258 1 1 2386 . 6 1 1 A 260 260 LYS H H 473 8.357 8.601 -0.244 1 1 2387 . 6 1 1 A 260 260 LYS HA H 473 4.297 4.900 -0.603 1 1 2396 . 6 1 1 A 260 260 LYS C C 473 174.137 174.964 -0.827 1 1 2397 . 6 1 1 A 260 260 LYS CA C 473 57.258 54.762 2.496 1 1 2398 . 6 1 1 A 260 260 LYS CB C 473 33.561 34.477 -0.916 1 1 2402 . 6 1 1 A 260 260 LYS N N 473 119.377 120.866 -1.489 1 1 2403 . 6 1 1 A 261 261 LEU H H 474 9.288 9.019 0.269 1 1 2404 . 6 1 1 A 261 261 LEU HA H 474 5.048 5.135 -0.087 1 1 2414 . 6 1 1 A 261 261 LEU C C 474 172.558 175.269 -2.711 1 1 2415 . 6 1 1 A 261 261 LEU CA C 474 53.327 53.768 -0.441 1 1 2416 . 6 1 1 A 261 261 LEU CB C 474 44.313 43.578 0.735 1 1 2420 . 6 1 1 A 261 261 LEU N N 474 126.482 129.127 -2.645 1 1 2421 . 6 1 1 A 262 262 VAL H H 475 8.876 9.003 -0.127 1 1 2422 . 6 1 1 A 262 262 VAL HA H 475 4.238 4.871 -0.633 1 1 2430 . 6 1 1 A 262 262 VAL C C 475 174.243 175.008 -0.765 1 1 2431 . 6 1 1 A 262 262 VAL CA C 475 59.734 60.843 -1.109 1 1 2432 . 6 1 1 A 262 262 VAL CB C 475 34.790 34.076 0.714 1 1 2435 . 6 1 1 A 262 262 VAL N N 475 124.316 126.661 -2.345 1 1 2436 . 6 1 1 A 263 263 PHE H H 476 8.826 8.721 0.105 1 1 2437 . 6 1 1 A 263 263 PHE HA H 476 5.518 5.478 0.040 1 1 2443 . 6 1 1 A 263 263 PHE C C 476 171.887 173.526 -1.639 1 1 2444 . 6 1 1 A 263 263 PHE CA C 476 52.082 55.007 -2.925 1 1 2445 . 6 1 1 A 263 263 PHE CB C 476 39.792 39.820 -0.028 1 1 2449 . 6 1 1 A 263 263 PHE N N 476 122.867 126.041 -3.174 1 1 2450 . 6 1 1 A 264 264 PRO HA H 477 4.649 4.877 -0.228 1 1 2457 . 6 1 1 A 264 264 PRO C C 477 178.322 176.126 2.196 1 1 2458 . 6 1 1 A 264 264 PRO CA C 477 62.333 62.601 -0.268 1 1 2459 . 6 1 1 A 264 264 PRO CB C 477 32.553 33.698 -1.145 1 1 2462 . 6 1 1 A 265 265 SER H H 478 8.763 8.322 0.441 1 1 2463 . 6 1 1 A 265 265 SER HA H 478 4.494 4.476 0.018 1 1 2466 . 6 1 1 A 265 265 SER C C 478 173.725 173.605 0.120 1 1 2467 . 6 1 1 A 265 265 SER CA C 478 59.060 58.055 1.005 1 1 2468 . 6 1 1 A 265 265 SER CB C 478 64.038 63.605 0.433 1 1 2469 . 6 1 1 A 265 265 SER N N 478 116.725 111.614 5.111 1 1 17 . 7 1 1 A 12 12 VAL H H 225 7.819 8.301 -0.482 1 1 18 . 7 1 1 A 12 12 VAL HA H 225 4.946 3.800 1.146 1 1 26 . 7 1 1 A 12 12 VAL C C 225 175.898 176.180 -0.282 1 1 27 . 7 1 1 A 12 12 VAL CA C 225 59.650 62.686 -3.036 1 1 28 . 7 1 1 A 12 12 VAL CB C 225 35.296 31.424 3.872 1 1 31 . 7 1 1 A 12 12 VAL N N 225 117.637 123.214 -5.577 1 1 32 . 7 1 1 A 13 13 TYR H H 226 8.318 8.403 -0.085 1 1 33 . 7 1 1 A 13 13 TYR HA H 226 4.291 4.190 0.101 1 1 36 . 7 1 1 A 13 13 TYR C C 226 176.911 175.989 0.922 1 1 37 . 7 1 1 A 13 13 TYR CA C 226 60.063 58.652 1.411 1 1 38 . 7 1 1 A 13 13 TYR CB C 226 37.843 35.828 2.015 1 1 39 . 7 1 1 A 13 13 TYR N N 226 122.976 123.212 -0.236 1 1 40 . 7 1 1 A 14 14 GLN H H 227 9.128 7.872 1.256 1 1 41 . 7 1 1 A 14 14 GLN HA H 227 3.996 4.037 -0.041 1 1 46 . 7 1 1 A 14 14 GLN C C 227 175.052 175.909 -0.857 1 1 47 . 7 1 1 A 14 14 GLN CA C 227 57.421 58.751 -1.330 1 1 48 . 7 1 1 A 14 14 GLN CB C 227 29.550 28.375 1.175 1 1 50 . 7 1 1 A 14 14 GLN N N 227 124.676 118.660 6.016 1 1 51 . 7 1 1 A 15 15 MET H H 228 8.465 7.896 0.569 1 1 52 . 7 1 1 A 15 15 MET HA H 228 5.210 4.490 0.720 1 1 60 . 7 1 1 A 15 15 MET C C 228 172.979 175.912 -2.933 1 1 61 . 7 1 1 A 15 15 MET CA C 228 52.955 56.121 -3.166 1 1 62 . 7 1 1 A 15 15 MET CB C 228 30.751 32.755 -2.004 1 1 65 . 7 1 1 A 15 15 MET N N 228 128.835 116.125 12.710 1 1 66 . 7 1 1 A 16 16 LYS H H 229 9.119 8.960 0.159 1 1 67 . 7 1 1 A 16 16 LYS HA H 229 4.558 4.523 0.035 1 1 76 . 7 1 1 A 16 16 LYS C C 229 176.209 176.159 0.050 1 1 77 . 7 1 1 A 16 16 LYS CA C 229 55.916 56.084 -0.168 1 1 78 . 7 1 1 A 16 16 LYS CB C 229 35.555 34.380 1.175 1 1 82 . 7 1 1 A 16 16 LYS N N 229 120.235 123.267 -3.032 1 1 83 . 7 1 1 A 17 17 SER H H 230 9.101 7.773 1.328 1 1 84 . 7 1 1 A 17 17 SER HA H 230 4.077 4.729 -0.652 1 1 87 . 7 1 1 A 17 17 SER C C 230 172.995 173.730 -0.735 1 1 88 . 7 1 1 A 17 17 SER CA C 230 59.615 57.317 2.298 1 1 89 . 7 1 1 A 17 17 SER CB C 230 64.482 65.534 -1.052 1 1 90 . 7 1 1 A 17 17 SER N N 230 121.500 115.389 6.111 1 1 91 . 7 1 1 A 18 18 LYS H H 231 8.120 8.100 0.020 1 1 92 . 7 1 1 A 18 18 LYS HA H 231 4.373 4.214 0.159 1 1 101 . 7 1 1 A 18 18 LYS C C 231 173.565 176.786 -3.221 1 1 102 . 7 1 1 A 18 18 LYS CA C 231 53.231 55.313 -2.082 1 1 103 . 7 1 1 A 18 18 LYS CB C 231 34.596 32.458 2.138 1 1 107 . 7 1 1 A 18 18 LYS N N 231 120.561 121.185 -0.624 1 1 108 . 7 1 1 A 19 19 PRO HA H 232 4.898 4.183 0.715 1 1 115 . 7 1 1 A 19 19 PRO C C 232 176.162 177.840 -1.678 1 1 116 . 7 1 1 A 19 19 PRO CA C 232 62.838 65.460 -2.622 1 1 117 . 7 1 1 A 19 19 PRO CB C 232 34.997 31.483 3.514 1 1 120 . 7 1 1 A 20 20 ARG H H 233 8.782 8.063 0.719 1 1 121 . 7 1 1 A 20 20 ARG HA H 233 3.651 4.027 -0.376 1 1 122 . 7 1 1 A 20 20 ARG C C 233 175.210 175.330 -0.120 1 1 123 . 7 1 1 A 20 20 ARG CA C 233 56.621 56.908 -0.287 1 1 124 . 7 1 1 A 20 20 ARG CB C 233 30.581 27.955 2.626 1 1 127 . 7 1 1 A 20 20 ARG N N 233 118.785 116.161 2.624 1 1 128 . 7 1 1 A 21 21 GLY H H 234 6.490 8.383 -1.893 1 1 129 . 7 1 1 A 21 21 GLY HA2 H 234 4.312 3.857 0.455 1 1 130 . 7 1 1 A 21 21 GLY HA3 H 234 4.662 4.122 0.540 1 1 131 . 7 1 1 A 21 21 GLY C C 234 172.012 172.939 -0.927 1 1 132 . 7 1 1 A 21 21 GLY CA C 234 43.743 46.282 -2.539 1 1 133 . 7 1 1 A 21 21 GLY N N 234 128.529 108.889 19.640 1 1 134 . 7 1 1 A 22 22 TYR H H 235 9.327 8.059 1.268 1 1 135 . 7 1 1 A 22 22 TYR HA H 235 5.260 4.908 0.352 1 1 140 . 7 1 1 A 22 22 TYR C C 235 173.931 175.392 -1.461 1 1 141 . 7 1 1 A 22 22 TYR CA C 235 58.287 58.018 0.269 1 1 142 . 7 1 1 A 22 22 TYR CB C 235 39.762 37.537 2.225 1 1 145 . 7 1 1 A 22 22 TYR N N 235 119.429 125.437 -6.008 1 1 146 . 7 1 1 A 23 23 CYS H H 236 8.665 9.219 -0.554 1 1 147 . 7 1 1 A 23 23 CYS HA H 236 4.928 4.454 0.474 1 1 148 . 7 1 1 A 23 23 CYS C C 236 172.970 174.567 -1.597 1 1 149 . 7 1 1 A 23 23 CYS CA C 236 55.636 58.927 -3.291 1 1 150 . 7 1 1 A 23 23 CYS CB C 236 50.040 28.052 21.988 1 1 151 . 7 1 1 A 23 23 CYS N N 236 120.485 124.605 -4.120 1 1 152 . 7 1 1 A 24 24 LEU H H 237 8.619 8.686 -0.067 1 1 153 . 7 1 1 A 24 24 LEU HA H 237 4.691 5.219 -0.528 1 1 163 . 7 1 1 A 24 24 LEU C C 237 175.850 176.135 -0.285 1 1 164 . 7 1 1 A 24 24 LEU CA C 237 54.053 53.387 0.666 1 1 165 . 7 1 1 A 24 24 LEU CB C 237 44.117 43.654 0.463 1 1 169 . 7 1 1 A 24 24 LEU N N 237 129.465 125.257 4.208 1 1 170 . 7 1 1 A 25 25 ILE H H 238 8.304 9.012 -0.708 1 1 171 . 7 1 1 A 25 25 ILE HA H 238 4.639 4.742 -0.103 1 1 179 . 7 1 1 A 25 25 ILE C C 238 174.032 174.643 -0.611 1 1 180 . 7 1 1 A 25 25 ILE CA C 238 60.879 60.703 0.176 1 1 181 . 7 1 1 A 25 25 ILE CB C 238 41.165 40.799 0.366 1 1 185 . 7 1 1 A 25 25 ILE N N 238 122.597 124.265 -1.668 1 1 186 . 7 1 1 A 26 26 ILE H H 239 9.025 9.070 -0.045 1 1 187 . 7 1 1 A 26 26 ILE HA H 239 4.778 5.037 -0.259 1 1 197 . 7 1 1 A 26 26 ILE C C 239 173.104 174.776 -1.672 1 1 198 . 7 1 1 A 26 26 ILE CA C 239 60.733 60.228 0.505 1 1 199 . 7 1 1 A 26 26 ILE CB C 239 38.237 39.137 -0.900 1 1 203 . 7 1 1 A 26 26 ILE N N 239 129.303 129.149 0.154 1 1 204 . 7 1 1 A 27 27 ASN H H 240 8.957 9.432 -0.475 1 1 205 . 7 1 1 A 27 27 ASN HA H 240 5.174 5.455 -0.281 1 1 208 . 7 1 1 A 27 27 ASN C C 240 172.948 173.089 -0.141 1 1 209 . 7 1 1 A 27 27 ASN CA C 240 52.055 52.045 0.010 1 1 210 . 7 1 1 A 27 27 ASN CB C 240 40.530 42.770 -2.240 1 1 211 . 7 1 1 A 27 27 ASN N N 240 125.494 127.088 -1.594 1 1 212 . 7 1 1 A 28 28 ASN H H 241 9.118 8.807 0.311 1 1 213 . 7 1 1 A 28 28 ASN HA H 241 5.106 5.463 -0.357 1 1 216 . 7 1 1 A 28 28 ASN C C 241 172.184 173.959 -1.775 1 1 217 . 7 1 1 A 28 28 ASN CA C 241 52.599 51.921 0.678 1 1 218 . 7 1 1 A 28 28 ASN CB C 241 38.296 42.410 -4.114 1 1 219 . 7 1 1 A 28 28 ASN N N 241 125.089 122.099 2.990 1 1 220 . 7 1 1 A 29 29 HIS H H 242 9.512 8.675 0.837 1 1 221 . 7 1 1 A 29 29 HIS HA H 242 4.384 4.826 -0.442 1 1 224 . 7 1 1 A 29 29 HIS C C 242 173.519 173.829 -0.310 1 1 225 . 7 1 1 A 29 29 HIS CA C 242 59.174 55.177 3.997 1 1 226 . 7 1 1 A 29 29 HIS CB C 242 28.022 30.940 -2.918 1 1 227 . 7 1 1 A 29 29 HIS N N 242 125.634 125.215 0.419 1 1 228 . 7 1 1 A 30 30 ASN H H 243 8.623 7.853 0.770 1 1 229 . 7 1 1 A 30 30 ASN HA H 243 4.148 4.975 -0.827 1 1 234 . 7 1 1 A 30 30 ASN C C 243 175.052 176.187 -1.135 1 1 235 . 7 1 1 A 30 30 ASN CA C 243 53.229 52.071 1.158 1 1 236 . 7 1 1 A 30 30 ASN CB C 243 38.980 41.167 -2.187 1 1 237 . 7 1 1 A 30 30 ASN N N 243 119.059 120.276 -1.217 1 1 239 . 7 1 1 A 31 31 PHE H H 244 8.676 7.886 0.790 1 1 240 . 7 1 1 A 31 31 PHE HA H 244 4.686 4.712 -0.026 1 1 243 . 7 1 1 A 31 31 PHE C C 244 174.399 175.653 -1.254 1 1 244 . 7 1 1 A 31 31 PHE CA C 244 57.688 57.224 0.464 1 1 245 . 7 1 1 A 31 31 PHE CB C 244 39.026 39.319 -0.293 1 1 246 . 7 1 1 A 31 31 PHE N N 244 124.091 120.535 3.556 1 1 247 . 7 1 1 A 32 32 ALA H H 245 8.244 7.397 0.847 1 1 248 . 7 1 1 A 32 32 ALA HA H 245 3.869 4.343 -0.474 1 1 252 . 7 1 1 A 32 32 ALA C C 245 180.452 177.052 3.400 1 1 253 . 7 1 1 A 32 32 ALA CA C 245 56.274 50.463 5.811 1 1 254 . 7 1 1 A 32 32 ALA CB C 245 18.181 17.327 0.854 1 1 255 . 7 1 1 A 32 32 ALA N N 245 122.713 123.642 -0.929 1 1 256 . 7 1 1 A 33 33 LYS H H 246 8.964 8.187 0.777 1 1 257 . 7 1 1 A 33 33 LYS HA H 246 4.089 3.890 0.199 1 1 266 . 7 1 1 A 33 33 LYS C C 246 177.441 176.813 0.628 1 1 267 . 7 1 1 A 33 33 LYS CA C 246 58.632 57.777 0.855 1 1 268 . 7 1 1 A 33 33 LYS CB C 246 30.418 30.216 0.202 1 1 272 . 7 1 1 A 33 33 LYS N N 246 116.888 117.319 -0.431 1 1 273 . 7 1 1 A 34 34 ALA H H 247 7.088 8.115 -1.027 1 1 274 . 7 1 1 A 34 34 ALA HA H 247 3.752 4.026 -0.274 1 1 278 . 7 1 1 A 34 34 ALA C C 247 177.581 179.773 -2.192 1 1 279 . 7 1 1 A 34 34 ALA CA C 247 55.502 54.910 0.592 1 1 280 . 7 1 1 A 34 34 ALA CB C 247 18.099 18.424 -0.325 1 1 281 . 7 1 1 A 34 34 ALA N N 247 122.047 122.204 -0.157 1 1 282 . 7 1 1 A 35 35 ARG H H 248 7.706 8.535 -0.829 1 1 283 . 7 1 1 A 35 35 ARG HA H 248 4.338 4.326 0.012 1 1 292 . 7 1 1 A 35 35 ARG C C 248 179.094 177.229 1.865 1 1 293 . 7 1 1 A 35 35 ARG CA C 248 56.283 58.351 -2.068 1 1 294 . 7 1 1 A 35 35 ARG CB C 248 30.668 29.651 1.017 1 1 297 . 7 1 1 A 35 35 ARG N N 248 112.008 116.103 -4.095 1 1 299 . 7 1 1 A 36 36 GLU H H 249 7.707 7.893 -0.186 1 1 300 . 7 1 1 A 36 36 GLU HA H 249 4.121 4.338 -0.217 1 1 305 . 7 1 1 A 36 36 GLU C C 249 178.205 177.382 0.823 1 1 306 . 7 1 1 A 36 36 GLU CA C 249 58.194 56.628 1.566 1 1 307 . 7 1 1 A 36 36 GLU CB C 249 30.596 30.200 0.396 1 1 309 . 7 1 1 A 36 36 GLU N N 249 116.945 118.443 -1.498 1 1 310 . 7 1 1 A 37 37 LYS H H 250 7.954 7.698 0.256 1 1 311 . 7 1 1 A 37 37 LYS HA H 250 4.381 4.460 -0.079 1 1 320 . 7 1 1 A 37 37 LYS C C 250 176.772 176.068 0.704 1 1 321 . 7 1 1 A 37 37 LYS CA C 250 57.323 55.858 1.465 1 1 322 . 7 1 1 A 37 37 LYS CB C 250 34.892 34.473 0.419 1 1 326 . 7 1 1 A 37 37 LYS N N 250 114.798 117.340 -2.542 1 1 327 . 7 1 1 A 38 38 VAL H H 251 8.298 8.185 0.113 1 1 328 . 7 1 1 A 38 38 VAL HA H 251 4.582 4.617 -0.035 1 1 336 . 7 1 1 A 38 38 VAL C C 251 174.903 174.524 0.379 1 1 337 . 7 1 1 A 38 38 VAL CA C 251 60.316 58.933 1.383 1 1 338 . 7 1 1 A 38 38 VAL CB C 251 32.374 32.093 0.281 1 1 341 . 7 1 1 A 38 38 VAL N N 251 120.907 118.410 2.497 1 1 342 . 7 1 1 A 40 40 LYS H H 253 8.588 8.780 -0.192 1 1 343 . 7 1 1 A 40 40 LYS HA H 253 4.275 3.804 0.471 1 1 352 . 7 1 1 A 40 40 LYS C C 253 176.447 176.889 -0.442 1 1 353 . 7 1 1 A 40 40 LYS CA C 253 58.550 57.635 0.915 1 1 354 . 7 1 1 A 40 40 LYS CB C 253 31.568 31.279 0.289 1 1 358 . 7 1 1 A 40 40 LYS N N 253 113.861 115.856 -1.995 1 1 359 . 7 1 1 A 41 41 LEU H H 254 7.948 7.368 0.580 1 1 360 . 7 1 1 A 41 41 LEU HA H 254 4.391 4.113 0.278 1 1 370 . 7 1 1 A 41 41 LEU C C 254 175.989 178.010 -2.021 1 1 371 . 7 1 1 A 41 41 LEU CA C 254 53.279 56.005 -2.726 1 1 372 . 7 1 1 A 41 41 LEU CB C 254 40.369 41.162 -0.793 1 1 376 . 7 1 1 A 41 41 LEU N N 254 118.998 119.869 -0.871 1 1 377 . 7 1 1 A 42 42 HIS H H 255 7.167 7.577 -0.410 1 1 378 . 7 1 1 A 42 42 HIS HA H 255 4.376 4.417 -0.041 1 1 382 . 7 1 1 A 42 42 HIS C C 255 174.836 175.743 -0.907 1 1 383 . 7 1 1 A 42 42 HIS CA C 255 59.188 56.060 3.128 1 1 384 . 7 1 1 A 42 42 HIS CB C 255 30.311 29.891 0.420 1 1 386 . 7 1 1 A 42 42 HIS N N 255 116.251 119.232 -2.981 1 1 387 . 7 1 1 A 43 43 SER H H 256 7.735 7.413 0.322 1 1 388 . 7 1 1 A 43 43 SER HA H 256 4.490 4.551 -0.061 1 1 391 . 7 1 1 A 43 43 SER C C 256 174.045 173.777 0.268 1 1 392 . 7 1 1 A 43 43 SER CA C 256 56.420 57.600 -1.180 1 1 393 . 7 1 1 A 43 43 SER CB C 256 64.093 63.498 0.595 1 1 394 . 7 1 1 A 43 43 SER N N 256 110.725 113.783 -3.058 1 1 395 . 7 1 1 A 44 44 ILE H H 257 7.403 7.341 0.062 1 1 396 . 7 1 1 A 44 44 ILE HA H 257 3.806 4.843 -1.037 1 1 406 . 7 1 1 A 44 44 ILE C C 257 174.321 174.892 -0.571 1 1 407 . 7 1 1 A 44 44 ILE CA C 257 61.640 59.145 2.495 1 1 408 . 7 1 1 A 44 44 ILE CB C 257 38.324 40.491 -2.167 1 1 412 . 7 1 1 A 44 44 ILE N N 257 124.717 118.896 5.821 1 1 413 . 7 1 1 A 45 45 ARG H H 258 8.043 8.761 -0.718 1 1 414 . 7 1 1 A 45 45 ARG HA H 258 4.201 5.101 -0.900 1 1 421 . 7 1 1 A 45 45 ARG C C 258 177.535 176.028 1.507 1 1 422 . 7 1 1 A 45 45 ARG CA C 258 55.412 54.134 1.278 1 1 423 . 7 1 1 A 45 45 ARG CB C 258 31.546 33.165 -1.619 1 1 426 . 7 1 1 A 45 45 ARG N N 258 124.319 121.264 3.055 1 1 427 . 7 1 1 A 46 46 ASP H H 259 8.584 8.972 -0.388 1 1 428 . 7 1 1 A 46 46 ASP HA H 259 5.096 4.465 0.631 1 1 431 . 7 1 1 A 46 46 ASP C C 259 177.819 176.599 1.220 1 1 432 . 7 1 1 A 46 46 ASP CA C 259 55.248 57.729 -2.481 1 1 433 . 7 1 1 A 46 46 ASP CB C 259 39.614 41.159 -1.545 1 1 434 . 7 1 1 A 46 46 ASP N N 259 120.371 125.961 -5.590 1 1 435 . 7 1 1 A 47 47 ARG H H 260 8.632 7.987 0.645 1 1 442 . 7 1 1 A 47 47 ARG CA C 260 56.228 55.898 0.330 1 1 443 . 7 1 1 A 47 47 ARG CB C 260 26.981 31.245 -4.264 1 1 445 . 7 1 1 A 47 47 ARG N N 260 123.120 119.282 3.838 1 1 447 . 7 1 1 A 51 51 HIS HA H 264 4.293 4.528 -0.235 1 1 451 . 7 1 1 A 51 51 HIS C C 264 178.002 176.588 1.414 1 1 452 . 7 1 1 A 51 51 HIS CA C 264 60.062 57.214 2.848 1 1 453 . 7 1 1 A 51 51 HIS CB C 264 29.109 29.453 -0.344 1 1 455 . 7 1 1 A 52 52 LEU H H 265 7.474 7.848 -0.374 1 1 456 . 7 1 1 A 52 52 LEU HA H 265 4.125 3.770 0.355 1 1 466 . 7 1 1 A 52 52 LEU C C 265 180.623 178.563 2.060 1 1 467 . 7 1 1 A 52 52 LEU CA C 265 56.921 58.148 -1.227 1 1 468 . 7 1 1 A 52 52 LEU CB C 265 40.572 41.465 -0.893 1 1 472 . 7 1 1 A 52 52 LEU N N 265 122.692 121.251 1.441 1 1 473 . 7 1 1 A 53 53 ASP H H 266 6.993 8.336 -1.343 1 1 474 . 7 1 1 A 53 53 ASP C C 266 176.536 178.084 -1.548 1 1 475 . 7 1 1 A 53 53 ASP CA C 266 56.718 57.882 -1.164 1 1 476 . 7 1 1 A 53 53 ASP CB C 266 39.787 41.331 -1.544 1 1 477 . 7 1 1 A 53 53 ASP N N 266 122.192 118.767 3.425 1 1 478 . 7 1 1 A 54 54 ALA H H 267 8.217 8.329 -0.112 1 1 479 . 7 1 1 A 54 54 ALA HA H 267 3.840 4.067 -0.227 1 1 483 . 7 1 1 A 54 54 ALA C C 267 180.507 180.126 0.381 1 1 484 . 7 1 1 A 54 54 ALA CA C 267 55.836 54.876 0.960 1 1 485 . 7 1 1 A 54 54 ALA CB C 267 17.386 18.695 -1.309 1 1 486 . 7 1 1 A 54 54 ALA N N 267 121.612 122.400 -0.788 1 1 487 . 7 1 1 A 55 55 GLY H H 268 8.481 8.635 -0.154 1 1 488 . 7 1 1 A 55 55 GLY C C 268 174.929 176.096 -1.167 1 1 489 . 7 1 1 A 55 55 GLY CA C 268 46.546 46.789 -0.243 1 1 490 . 7 1 1 A 55 55 GLY N N 268 107.453 107.348 0.105 1 1 491 . 7 1 1 A 56 56 ALA H H 269 7.759 8.063 -0.304 1 1 492 . 7 1 1 A 56 56 ALA HA H 269 4.190 4.063 0.127 1 1 496 . 7 1 1 A 56 56 ALA C C 269 180.493 179.014 1.479 1 1 497 . 7 1 1 A 56 56 ALA CA C 269 55.311 54.431 0.880 1 1 498 . 7 1 1 A 56 56 ALA CB C 269 17.951 18.547 -0.596 1 1 499 . 7 1 1 A 56 56 ALA N N 269 125.518 124.888 0.630 1 1 500 . 7 1 1 A 57 57 LEU H H 270 8.224 7.552 0.672 1 1 501 . 7 1 1 A 57 57 LEU HA H 270 3.840 4.234 -0.394 1 1 506 . 7 1 1 A 57 57 LEU C C 270 177.499 178.952 -1.453 1 1 507 . 7 1 1 A 57 57 LEU CA C 270 58.315 56.986 1.329 1 1 508 . 7 1 1 A 57 57 LEU CB C 270 43.182 41.868 1.314 1 1 511 . 7 1 1 A 57 57 LEU N N 270 121.610 117.521 4.089 1 1 512 . 7 1 1 A 58 58 THR H H 271 7.976 7.843 0.133 1 1 513 . 7 1 1 A 58 58 THR HA H 271 4.432 4.006 0.426 1 1 518 . 7 1 1 A 58 58 THR C C 271 174.457 175.991 -1.534 1 1 519 . 7 1 1 A 58 58 THR CA C 271 68.788 66.614 2.174 1 1 520 . 7 1 1 A 58 58 THR CB C 271 67.557 68.785 -1.228 1 1 522 . 7 1 1 A 58 58 THR N N 271 115.528 115.569 -0.041 1 1 523 . 7 1 1 A 59 59 THR H H 272 8.085 8.661 -0.576 1 1 524 . 7 1 1 A 59 59 THR HA H 272 3.911 4.012 -0.101 1 1 529 . 7 1 1 A 59 59 THR C C 272 176.131 176.846 -0.715 1 1 530 . 7 1 1 A 59 59 THR CA C 272 65.908 65.386 0.522 1 1 531 . 7 1 1 A 59 59 THR CB C 272 69.045 68.898 0.147 1 1 533 . 7 1 1 A 59 59 THR N N 272 114.864 114.238 0.626 1 1 534 . 7 1 1 A 60 60 THR H H 273 7.875 7.745 0.130 1 1 535 . 7 1 1 A 60 60 THR HA H 273 3.423 3.841 -0.418 1 1 540 . 7 1 1 A 60 60 THR C C 273 175.166 175.861 -0.695 1 1 541 . 7 1 1 A 60 60 THR CA C 273 67.291 66.228 1.063 1 1 542 . 7 1 1 A 60 60 THR CB C 273 68.824 68.213 0.611 1 1 544 . 7 1 1 A 60 60 THR N N 273 116.718 117.018 -0.300 1 1 545 . 7 1 1 A 61 61 PHE H H 274 8.219 7.609 0.610 1 1 546 . 7 1 1 A 61 61 PHE HA H 274 4.213 4.489 -0.276 1 1 552 . 7 1 1 A 61 61 PHE C C 274 178.034 178.051 -0.017 1 1 553 . 7 1 1 A 61 61 PHE CA C 274 63.308 61.669 1.639 1 1 554 . 7 1 1 A 61 61 PHE CB C 274 37.080 39.439 -2.359 1 1 558 . 7 1 1 A 61 61 PHE N N 274 114.721 117.794 -3.073 1 1 559 . 7 1 1 A 62 62 GLU H H 275 8.810 8.505 0.305 1 1 560 . 7 1 1 A 62 62 GLU HA H 275 4.416 4.117 0.299 1 1 565 . 7 1 1 A 62 62 GLU C C 275 181.232 179.053 2.179 1 1 566 . 7 1 1 A 62 62 GLU CA C 275 60.190 59.787 0.403 1 1 567 . 7 1 1 A 62 62 GLU CB C 275 28.990 28.776 0.214 1 1 569 . 7 1 1 A 62 62 GLU N N 275 123.787 121.360 2.427 1 1 570 . 7 1 1 A 63 63 GLU H H 276 7.698 8.712 -1.014 1 1 571 . 7 1 1 A 63 63 GLU HA H 276 3.871 4.060 -0.189 1 1 575 . 7 1 1 A 63 63 GLU C C 276 176.721 177.116 -0.395 1 1 576 . 7 1 1 A 63 63 GLU CA C 276 58.821 58.669 0.152 1 1 577 . 7 1 1 A 63 63 GLU CB C 276 29.251 28.439 0.812 1 1 579 . 7 1 1 A 63 63 GLU N N 276 120.707 117.403 3.304 1 1 580 . 7 1 1 A 64 64 LEU H H 277 6.708 7.554 -0.846 1 1 581 . 7 1 1 A 64 64 LEU HA H 277 4.148 4.165 -0.017 1 1 589 . 7 1 1 A 64 64 LEU C C 277 174.571 175.832 -1.261 1 1 590 . 7 1 1 A 64 64 LEU CA C 277 54.060 54.682 -0.622 1 1 594 . 7 1 1 A 64 64 LEU N N 277 115.451 118.603 -3.152 1 1 595 . 7 1 1 A 65 65 HIS H H 278 7.388 8.034 -0.646 1 1 596 . 7 1 1 A 65 65 HIS HA H 278 4.259 4.155 0.104 1 1 599 . 7 1 1 A 65 65 HIS C C 278 174.571 173.806 0.765 1 1 600 . 7 1 1 A 65 65 HIS CA C 278 57.737 56.874 0.863 1 1 601 . 7 1 1 A 65 65 HIS CB C 278 26.020 26.614 -0.594 1 1 602 . 7 1 1 A 65 65 HIS N N 278 107.287 115.410 -8.123 1 1 603 . 7 1 1 A 66 66 PHE H H 279 8.554 7.616 0.938 1 1 604 . 7 1 1 A 66 66 PHE HA H 279 4.462 4.883 -0.421 1 1 610 . 7 1 1 A 66 66 PHE C C 279 174.258 174.615 -0.357 1 1 611 . 7 1 1 A 66 66 PHE CA C 279 58.032 57.402 0.630 1 1 612 . 7 1 1 A 66 66 PHE CB C 279 39.809 42.523 -2.714 1 1 616 . 7 1 1 A 66 66 PHE N N 279 117.992 117.958 0.034 1 1 617 . 7 1 1 A 67 67 GLU H H 280 8.403 8.848 -0.445 1 1 618 . 7 1 1 A 67 67 GLU HA H 280 4.631 4.879 -0.248 1 1 621 . 7 1 1 A 67 67 GLU C C 280 174.640 175.440 -0.800 1 1 622 . 7 1 1 A 67 67 GLU CA C 280 55.467 55.414 0.053 1 1 623 . 7 1 1 A 67 67 GLU CB C 280 30.671 31.046 -0.375 1 1 625 . 7 1 1 A 67 67 GLU N N 280 120.980 121.298 -0.318 1 1 626 . 7 1 1 A 68 68 ILE H H 281 8.988 9.043 -0.055 1 1 627 . 7 1 1 A 68 68 ILE HA H 281 4.491 4.820 -0.329 1 1 636 . 7 1 1 A 68 68 ILE C C 281 176.177 174.662 1.515 1 1 637 . 7 1 1 A 68 68 ILE CA C 281 59.688 60.045 -0.357 1 1 638 . 7 1 1 A 68 68 ILE CB C 281 35.090 39.414 -4.324 1 1 642 . 7 1 1 A 68 68 ILE N N 281 127.994 127.677 0.317 1 1 643 . 7 1 1 A 69 69 LYS H H 282 8.559 8.366 0.193 1 1 644 . 7 1 1 A 69 69 LYS HA H 282 4.981 5.076 -0.095 1 1 645 . 7 1 1 A 69 69 LYS CA C 282 50.465 53.583 -3.118 1 1 646 . 7 1 1 A 69 69 LYS CB C 282 32.762 33.336 -0.574 1 1 649 . 7 1 1 A 69 69 LYS N N 282 126.350 127.498 -1.148 1 1 650 . 7 1 1 A 70 70 PRO HA H 283 5.133 4.826 0.307 1 1 651 . 7 1 1 A 70 70 PRO C C 283 176.378 176.089 0.289 1 1 652 . 7 1 1 A 70 70 PRO CA C 283 62.027 62.838 -0.811 1 1 653 . 7 1 1 A 70 70 PRO CB C 283 32.856 31.749 1.107 1 1 655 . 7 1 1 A 71 71 HIS H H 284 8.967 9.002 -0.035 1 1 656 . 7 1 1 A 71 71 HIS HA H 284 4.465 4.895 -0.430 1 1 660 . 7 1 1 A 71 71 HIS C C 284 172.714 174.199 -1.485 1 1 661 . 7 1 1 A 71 71 HIS CA C 284 55.994 55.547 0.447 1 1 662 . 7 1 1 A 71 71 HIS CB C 284 33.678 31.002 2.676 1 1 664 . 7 1 1 A 71 71 HIS N N 284 121.708 122.764 -1.056 1 1 665 . 7 1 1 A 72 72 ASP H H 285 8.625 8.864 -0.239 1 1 666 . 7 1 1 A 72 72 ASP HA H 285 5.695 5.009 0.686 1 1 669 . 7 1 1 A 72 72 ASP C C 285 175.881 176.255 -0.374 1 1 670 . 7 1 1 A 72 72 ASP CA C 285 53.201 52.909 0.292 1 1 671 . 7 1 1 A 72 72 ASP CB C 285 43.758 42.973 0.785 1 1 672 . 7 1 1 A 72 72 ASP N N 285 122.941 123.471 -0.530 1 1 673 . 7 1 1 A 73 73 ASP H H 286 9.212 9.138 0.074 1 1 674 . 7 1 1 A 73 73 ASP HA H 286 4.263 4.242 0.021 1 1 676 . 7 1 1 A 73 73 ASP C C 286 174.368 174.742 -0.374 1 1 677 . 7 1 1 A 73 73 ASP CA C 286 56.488 54.895 1.593 1 1 678 . 7 1 1 A 73 73 ASP CB C 286 39.083 39.539 -0.456 1 1 679 . 7 1 1 A 73 73 ASP N N 286 119.175 122.515 -3.340 1 1 680 . 7 1 1 A 74 74 CYS H H 287 8.750 7.863 0.887 1 1 681 . 7 1 1 A 74 74 CYS HA H 287 4.854 4.990 -0.136 1 1 684 . 7 1 1 A 74 74 CYS C C 287 176.146 173.858 2.288 1 1 685 . 7 1 1 A 74 74 CYS CA C 287 58.552 57.699 0.853 1 1 686 . 7 1 1 A 74 74 CYS CB C 287 53.204 29.267 23.937 1 1 687 . 7 1 1 A 74 74 CYS N N 287 119.631 117.431 2.200 1 1 688 . 7 1 1 A 75 75 THR H H 288 8.535 8.782 -0.247 1 1 689 . 7 1 1 A 75 75 THR HA H 288 4.163 4.301 -0.138 1 1 694 . 7 1 1 A 75 75 THR C C 288 174.663 175.781 -1.118 1 1 695 . 7 1 1 A 75 75 THR CA C 288 61.353 62.619 -1.266 1 1 696 . 7 1 1 A 75 75 THR CB C 288 70.100 69.222 0.878 1 1 698 . 7 1 1 A 75 75 THR N N 288 115.998 121.021 -5.023 1 1 699 . 7 1 1 A 76 76 VAL H H 289 8.083 8.571 -0.488 1 1 700 . 7 1 1 A 76 76 VAL HA H 289 3.414 3.626 -0.212 1 1 708 . 7 1 1 A 76 76 VAL C C 289 176.443 176.439 0.004 1 1 709 . 7 1 1 A 76 76 VAL CA C 289 69.066 64.995 4.071 1 1 710 . 7 1 1 A 76 76 VAL CB C 289 30.361 31.585 -1.224 1 1 713 . 7 1 1 A 76 76 VAL N N 289 120.599 126.322 -5.723 1 1 714 . 7 1 1 A 77 77 GLU H H 290 9.095 8.228 0.867 1 1 715 . 7 1 1 A 77 77 GLU HA H 290 4.027 3.546 0.481 1 1 720 . 7 1 1 A 77 77 GLU C C 290 179.172 178.088 1.084 1 1 721 . 7 1 1 A 77 77 GLU CA C 290 59.831 59.365 0.466 1 1 722 . 7 1 1 A 77 77 GLU CB C 290 29.493 29.008 0.485 1 1 724 . 7 1 1 A 77 77 GLU N N 290 119.191 120.748 -1.557 1 1 725 . 7 1 1 A 78 78 GLN H H 291 7.523 7.954 -0.431 1 1 726 . 7 1 1 A 78 78 GLN HA H 291 4.079 4.116 -0.037 1 1 731 . 7 1 1 A 78 78 GLN C C 291 177.815 177.758 0.057 1 1 732 . 7 1 1 A 78 78 GLN CA C 291 58.920 58.094 0.826 1 1 734 . 7 1 1 A 78 78 GLN N N 291 117.101 116.482 0.619 1 1 735 . 7 1 1 A 79 79 ILE H H 292 8.368 7.707 0.661 1 1 736 . 7 1 1 A 79 79 ILE HA H 292 3.427 3.566 -0.139 1 1 746 . 7 1 1 A 79 79 ILE C C 292 177.133 178.016 -0.883 1 1 747 . 7 1 1 A 79 79 ILE CA C 292 67.132 64.510 2.622 1 1 748 . 7 1 1 A 79 79 ILE CB C 292 37.163 36.870 0.293 1 1 752 . 7 1 1 A 79 79 ILE N N 292 120.006 121.373 -1.367 1 1 753 . 7 1 1 A 80 80 TYR H H 293 8.302 7.267 1.035 1 1 754 . 7 1 1 A 80 80 TYR HA H 293 4.179 4.345 -0.166 1 1 759 . 7 1 1 A 80 80 TYR C C 293 178.907 178.343 0.564 1 1 760 . 7 1 1 A 80 80 TYR CA C 293 61.737 60.640 1.097 1 1 761 . 7 1 1 A 80 80 TYR CB C 293 37.201 37.913 -0.712 1 1 764 . 7 1 1 A 80 80 TYR N N 293 116.291 120.920 -4.629 1 1 765 . 7 1 1 A 81 81 GLU H H 294 8.170 8.736 -0.566 1 1 766 . 7 1 1 A 81 81 GLU HA H 294 4.036 4.132 -0.096 1 1 771 . 7 1 1 A 81 81 GLU C C 294 178.414 177.996 0.418 1 1 772 . 7 1 1 A 81 81 GLU CA C 294 59.768 59.242 0.526 1 1 773 . 7 1 1 A 81 81 GLU CB C 294 29.489 29.332 0.157 1 1 775 . 7 1 1 A 81 81 GLU N N 294 120.325 120.049 0.276 1 1 776 . 7 1 1 A 82 82 ILE H H 295 8.501 7.823 0.678 1 1 777 . 7 1 1 A 82 82 ILE HA H 295 3.675 3.937 -0.262 1 1 787 . 7 1 1 A 82 82 ILE C C 295 177.751 178.339 -0.588 1 1 788 . 7 1 1 A 82 82 ILE CA C 295 65.288 64.210 1.078 1 1 789 . 7 1 1 A 82 82 ILE CB C 295 38.497 37.863 0.634 1 1 793 . 7 1 1 A 82 82 ILE N N 295 120.434 119.420 1.014 1 1 794 . 7 1 1 A 83 83 LEU H H 296 8.508 7.963 0.545 1 1 795 . 7 1 1 A 83 83 LEU HA H 296 4.289 3.643 0.646 1 1 805 . 7 1 1 A 83 83 LEU C C 296 178.393 179.315 -0.922 1 1 806 . 7 1 1 A 83 83 LEU CA C 296 58.937 57.646 1.291 1 1 807 . 7 1 1 A 83 83 LEU CB C 296 39.626 41.367 -1.741 1 1 811 . 7 1 1 A 83 83 LEU N N 296 116.807 120.196 -3.389 1 1 812 . 7 1 1 A 84 84 LYS H H 297 8.048 8.054 -0.006 1 1 813 . 7 1 1 A 84 84 LYS HA H 297 3.967 4.096 -0.129 1 1 820 . 7 1 1 A 84 84 LYS C C 297 177.773 179.056 -1.283 1 1 821 . 7 1 1 A 84 84 LYS CA C 297 58.890 58.907 -0.017 1 1 822 . 7 1 1 A 84 84 LYS CB C 297 31.169 32.387 -1.218 1 1 826 . 7 1 1 A 84 84 LYS N N 297 118.687 117.382 1.305 1 1 827 . 7 1 1 A 85 85 ILE H H 298 7.694 8.098 -0.404 1 1 828 . 7 1 1 A 85 85 ILE HA H 298 3.456 3.772 -0.316 1 1 838 . 7 1 1 A 85 85 ILE C C 298 179.100 177.941 1.159 1 1 839 . 7 1 1 A 85 85 ILE CA C 298 65.307 65.534 -0.227 1 1 840 . 7 1 1 A 85 85 ILE CB C 298 36.965 37.801 -0.836 1 1 844 . 7 1 1 A 85 85 ILE N N 298 118.157 121.127 -2.970 1 1 845 . 7 1 1 A 86 86 TYR H H 299 7.613 8.024 -0.411 1 1 846 . 7 1 1 A 86 86 TYR HA H 299 4.103 4.489 -0.386 1 1 851 . 7 1 1 A 86 86 TYR C C 299 177.425 177.763 -0.338 1 1 852 . 7 1 1 A 86 86 TYR CA C 299 63.129 60.490 2.639 1 1 853 . 7 1 1 A 86 86 TYR CB C 299 38.745 38.093 0.652 1 1 856 . 7 1 1 A 86 86 TYR N N 299 115.499 120.107 -4.608 1 1 857 . 7 1 1 A 87 87 GLN H H 300 9.112 8.125 0.987 1 1 858 . 7 1 1 A 87 87 GLN HA H 300 3.977 4.198 -0.221 1 1 861 . 7 1 1 A 87 87 GLN C C 300 176.380 178.512 -2.132 1 1 862 . 7 1 1 A 87 87 GLN CA C 300 58.976 58.361 0.615 1 1 863 . 7 1 1 A 87 87 GLN CB C 300 28.819 28.670 0.149 1 1 865 . 7 1 1 A 87 87 GLN N N 300 125.039 120.917 4.122 1 1 866 . 7 1 1 A 88 88 LEU H H 301 7.536 8.101 -0.565 1 1 867 . 7 1 1 A 88 88 LEU HA H 301 4.309 4.114 0.195 1 1 877 . 7 1 1 A 88 88 LEU C C 301 177.129 179.501 -2.372 1 1 878 . 7 1 1 A 88 88 LEU CA C 301 55.142 57.346 -2.204 1 1 879 . 7 1 1 A 88 88 LEU CB C 301 41.809 41.479 0.330 1 1 883 . 7 1 1 A 88 88 LEU N N 301 115.623 119.322 -3.699 1 1 884 . 7 1 1 A 89 89 MET H H 302 7.025 8.507 -1.482 1 1 885 . 7 1 1 A 89 89 MET HA H 302 4.031 4.256 -0.225 1 1 893 . 7 1 1 A 89 89 MET C C 302 172.664 176.005 -3.341 1 1 894 . 7 1 1 A 89 89 MET CA C 302 55.513 58.762 -3.249 1 1 895 . 7 1 1 A 89 89 MET CB C 302 33.748 33.031 0.717 1 1 898 . 7 1 1 A 89 89 MET N N 302 120.789 119.003 1.786 1 1 899 . 7 1 1 A 90 90 ASP H H 303 8.056 8.021 0.035 1 1 900 . 7 1 1 A 90 90 ASP HA H 303 4.746 4.248 0.498 1 1 903 . 7 1 1 A 90 90 ASP C C 303 177.139 175.267 1.872 1 1 904 . 7 1 1 A 90 90 ASP CA C 303 54.411 55.430 -1.019 1 1 905 . 7 1 1 A 90 90 ASP CB C 303 40.987 39.606 1.381 1 1 906 . 7 1 1 A 90 90 ASP N N 303 117.873 116.174 1.699 1 1 907 . 7 1 1 A 91 91 HIS H H 304 9.371 7.785 1.586 1 1 908 . 7 1 1 A 91 91 HIS HA H 304 4.657 4.506 0.151 1 1 912 . 7 1 1 A 91 91 HIS C C 304 177.332 175.471 1.861 1 1 913 . 7 1 1 A 91 91 HIS CA C 304 56.031 56.945 -0.914 1 1 914 . 7 1 1 A 91 91 HIS CB C 304 31.150 30.619 0.531 1 1 916 . 7 1 1 A 91 91 HIS N N 304 126.666 117.830 8.836 1 1 917 . 7 1 1 A 92 92 SER H H 305 8.952 8.498 0.454 1 1 918 . 7 1 1 A 92 92 SER HA H 305 4.055 4.608 -0.553 1 1 921 . 7 1 1 A 92 92 SER CA C 305 63.687 58.365 5.322 1 1 922 . 7 1 1 A 92 92 SER CB C 305 62.694 64.229 -1.535 1 1 923 . 7 1 1 A 92 92 SER N N 305 118.610 114.873 3.737 1 1 924 . 7 1 1 A 93 93 ASN H H 306 8.745 8.007 0.738 1 1 925 . 7 1 1 A 93 93 ASN HA H 306 4.803 4.720 0.083 1 1 928 . 7 1 1 A 93 93 ASN C C 306 173.428 176.112 -2.684 1 1 929 . 7 1 1 A 93 93 ASN CA C 306 53.018 55.344 -2.326 1 1 930 . 7 1 1 A 93 93 ASN CB C 306 38.033 38.731 -0.698 1 1 931 . 7 1 1 A 93 93 ASN N N 306 116.257 118.626 -2.369 1 1 932 . 7 1 1 A 94 94 MET H H 307 7.942 7.519 0.423 1 1 933 . 7 1 1 A 94 94 MET HA H 307 4.683 4.566 0.117 1 1 939 . 7 1 1 A 94 94 MET C C 307 174.640 175.761 -1.121 1 1 940 . 7 1 1 A 94 94 MET CA C 307 53.564 54.200 -0.636 1 1 941 . 7 1 1 A 94 94 MET CB C 307 33.988 31.190 2.798 1 1 944 . 7 1 1 A 94 94 MET N N 307 117.799 119.446 -1.647 1 1 945 . 7 1 1 A 95 95 ASP H H 308 8.276 8.754 -0.478 1 1 946 . 7 1 1 A 95 95 ASP HA H 308 5.172 4.552 0.620 1 1 949 . 7 1 1 A 95 95 ASP C C 308 176.264 175.810 0.454 1 1 950 . 7 1 1 A 95 95 ASP CA C 308 55.617 56.351 -0.734 1 1 951 . 7 1 1 A 95 95 ASP CB C 308 45.114 41.733 3.381 1 1 952 . 7 1 1 A 95 95 ASP N N 308 119.567 126.897 -7.330 1 1 953 . 7 1 1 A 96 96 CYS H H 309 8.215 7.631 0.584 1 1 954 . 7 1 1 A 96 96 CYS HA H 309 4.680 4.681 -0.001 1 1 957 . 7 1 1 A 96 96 CYS C C 309 170.157 173.012 -2.855 1 1 958 . 7 1 1 A 96 96 CYS CA C 309 57.203 58.449 -1.246 1 1 959 . 7 1 1 A 96 96 CYS CB C 309 52.974 30.468 22.506 1 1 960 . 7 1 1 A 96 96 CYS N N 309 118.264 114.979 3.285 1 1 961 . 7 1 1 A 97 97 PHE H H 310 8.108 8.652 -0.544 1 1 962 . 7 1 1 A 97 97 PHE HA H 310 5.071 5.146 -0.075 1 1 967 . 7 1 1 A 97 97 PHE C C 310 171.279 172.628 -1.349 1 1 968 . 7 1 1 A 97 97 PHE CA C 310 57.910 56.446 1.464 1 1 969 . 7 1 1 A 97 97 PHE CB C 310 44.724 40.371 4.353 1 1 972 . 7 1 1 A 97 97 PHE N N 310 125.767 118.830 6.937 1 1 973 . 7 1 1 A 98 98 ILE H H 311 7.647 8.449 -0.802 1 1 974 . 7 1 1 A 98 98 ILE HA H 311 4.581 4.859 -0.278 1 1 984 . 7 1 1 A 98 98 ILE C C 311 172.012 174.658 -2.646 1 1 985 . 7 1 1 A 98 98 ILE CA C 311 58.312 59.712 -1.400 1 1 986 . 7 1 1 A 98 98 ILE CB C 311 39.964 41.507 -1.543 1 1 990 . 7 1 1 A 98 98 ILE N N 311 125.102 119.428 5.674 1 1 991 . 7 1 1 A 99 99 CYS H H 312 8.309 9.085 -0.776 1 1 992 . 7 1 1 A 99 99 CYS HA H 312 4.471 4.789 -0.318 1 1 993 . 7 1 1 A 99 99 CYS C C 312 171.965 172.954 -0.989 1 1 994 . 7 1 1 A 99 99 CYS CA C 312 56.347 57.166 -0.819 1 1 995 . 7 1 1 A 99 99 CYS CB C 312 51.093 27.886 23.207 1 1 996 . 7 1 1 A 99 99 CYS N N 312 124.548 126.691 -2.143 1 1 997 . 7 1 1 A 100 100 CYS H H 313 9.116 8.927 0.189 1 1 998 . 7 1 1 A 100 100 CYS HA H 313 5.880 4.848 1.032 1 1 1001 . 7 1 1 A 100 100 CYS C C 313 173.635 173.681 -0.046 1 1 1002 . 7 1 1 A 100 100 CYS CA C 313 55.906 57.148 -1.242 1 1 1003 . 7 1 1 A 100 100 CYS CB C 313 52.685 30.062 22.623 1 1 1004 . 7 1 1 A 100 100 CYS N N 313 127.015 126.923 0.092 1 1 1005 . 7 1 1 A 101 101 ILE H H 314 8.896 8.663 0.233 1 1 1006 . 7 1 1 A 101 101 ILE HA H 314 4.737 4.692 0.045 1 1 1016 . 7 1 1 A 101 101 ILE C C 314 172.277 175.746 -3.469 1 1 1017 . 7 1 1 A 101 101 ILE CA C 314 60.937 60.279 0.658 1 1 1018 . 7 1 1 A 101 101 ILE CB C 314 40.848 41.568 -0.720 1 1 1022 . 7 1 1 A 101 101 ILE N N 314 121.994 125.302 -3.308 1 1 1023 . 7 1 1 A 102 102 LEU H H 315 8.951 8.764 0.187 1 1 1024 . 7 1 1 A 102 102 LEU HA H 315 5.285 4.402 0.883 1 1 1029 . 7 1 1 A 102 102 LEU C C 315 174.789 176.854 -2.065 1 1 1030 . 7 1 1 A 102 102 LEU CA C 315 52.489 57.719 -5.230 1 1 1031 . 7 1 1 A 102 102 LEU CB C 315 40.041 41.966 -1.925 1 1 1034 . 7 1 1 A 102 102 LEU N N 315 127.404 128.880 -1.476 1 1 1035 . 7 1 1 A 103 103 SER H H 316 9.096 7.992 1.104 1 1 1036 . 7 1 1 A 103 103 SER HA H 316 4.680 4.433 0.247 1 1 1039 . 7 1 1 A 103 103 SER C C 316 174.555 174.817 -0.262 1 1 1040 . 7 1 1 A 103 103 SER CA C 316 56.403 57.759 -1.356 1 1 1041 . 7 1 1 A 103 103 SER CB C 316 63.224 63.171 0.053 1 1 1042 . 7 1 1 A 103 103 SER N N 316 113.273 112.466 0.807 1 1 1043 . 7 1 1 A 104 104 HIS H H 317 7.515 8.927 -1.412 1 1 1044 . 7 1 1 A 104 104 HIS HA H 317 5.214 4.878 0.336 1 1 1048 . 7 1 1 A 104 104 HIS C C 317 175.667 175.398 0.269 1 1 1049 . 7 1 1 A 104 104 HIS CA C 317 56.371 55.189 1.182 1 1 1050 . 7 1 1 A 104 104 HIS CB C 317 34.676 31.095 3.581 1 1 1052 . 7 1 1 A 104 104 HIS N N 317 114.740 119.471 -4.731 1 1 1053 . 7 1 1 A 105 105 GLY H H 318 8.368 7.931 0.437 1 1 1054 . 7 1 1 A 105 105 GLY C C 318 169.470 173.256 -3.786 1 1 1055 . 7 1 1 A 105 105 GLY CA C 318 45.558 45.609 -0.051 1 1 1056 . 7 1 1 A 105 105 GLY N N 318 107.330 110.176 -2.846 1 1 1057 . 7 1 1 A 106 106 ASP H H 319 7.943 8.445 -0.502 1 1 1058 . 7 1 1 A 106 106 ASP HA H 319 4.622 5.134 -0.512 1 1 1061 . 7 1 1 A 106 106 ASP C C 319 175.179 176.571 -1.392 1 1 1062 . 7 1 1 A 106 106 ASP CA C 319 53.188 52.579 0.609 1 1 1063 . 7 1 1 A 106 106 ASP CB C 319 43.555 43.532 0.023 1 1 1064 . 7 1 1 A 106 106 ASP N N 319 116.893 123.831 -6.938 1 1 1065 . 7 1 1 A 107 107 LYS H H 320 9.376 8.901 0.475 1 1 1066 . 7 1 1 A 107 107 LYS HA H 320 3.956 4.484 -0.528 1 1 1075 . 7 1 1 A 107 107 LYS C C 320 176.864 177.476 -0.612 1 1 1076 . 7 1 1 A 107 107 LYS CA C 320 58.567 57.026 1.541 1 1 1077 . 7 1 1 A 107 107 LYS CB C 320 30.568 32.516 -1.948 1 1 1081 . 7 1 1 A 107 107 LYS N N 320 122.539 123.189 -0.650 1 1 1082 . 7 1 1 A 108 108 GLY H H 321 9.025 7.835 1.190 1 1 1083 . 7 1 1 A 108 108 GLY C C 321 173.633 173.878 -0.245 1 1 1084 . 7 1 1 A 108 108 GLY CA C 321 45.491 45.203 0.288 1 1 1085 . 7 1 1 A 108 108 GLY N N 321 111.919 107.239 4.680 1 1 1086 . 7 1 1 A 109 109 ILE H H 322 8.157 7.516 0.641 1 1 1087 . 7 1 1 A 109 109 ILE HA H 322 4.994 4.842 0.152 1 1 1097 . 7 1 1 A 109 109 ILE C C 322 174.524 175.683 -1.159 1 1 1098 . 7 1 1 A 109 109 ILE CA C 322 59.009 58.429 0.580 1 1 1099 . 7 1 1 A 109 109 ILE CB C 322 43.375 41.761 1.614 1 1 1103 . 7 1 1 A 109 109 ILE N N 322 116.465 116.720 -0.255 1 1 1104 . 7 1 1 A 110 110 ILE H H 323 8.443 8.258 0.185 1 1 1105 . 7 1 1 A 110 110 ILE HA H 323 4.530 4.385 0.145 1 1 1115 . 7 1 1 A 110 110 ILE C C 323 174.337 175.595 -1.258 1 1 1116 . 7 1 1 A 110 110 ILE CA C 323 58.547 61.510 -2.963 1 1 1117 . 7 1 1 A 110 110 ILE CB C 323 41.604 39.721 1.883 1 1 1121 . 7 1 1 A 110 110 ILE N N 323 116.661 122.150 -5.489 1 1 1122 . 7 1 1 A 111 111 TYR H H 324 8.584 7.393 1.191 1 1 1123 . 7 1 1 A 111 111 TYR HA H 324 5.557 4.485 1.072 1 1 1128 . 7 1 1 A 111 111 TYR C C 324 178.528 175.744 2.784 1 1 1129 . 7 1 1 A 111 111 TYR CA C 324 56.571 58.508 -1.937 1 1 1130 . 7 1 1 A 111 111 TYR CB C 324 39.984 39.724 0.260 1 1 1133 . 7 1 1 A 111 111 TYR N N 324 119.472 120.893 -1.421 1 1 1134 . 7 1 1 A 112 112 GLY H H 325 8.522 8.787 -0.265 1 1 1135 . 7 1 1 A 112 112 GLY C C 325 174.755 174.966 -0.211 1 1 1136 . 7 1 1 A 112 112 GLY CA C 325 43.145 45.111 -1.966 1 1 1137 . 7 1 1 A 112 112 GLY N N 325 107.078 110.182 -3.104 1 1 1138 . 7 1 1 A 113 113 THR H H 326 8.245 8.643 -0.398 1 1 1139 . 7 1 1 A 113 113 THR HA H 326 3.186 4.015 -0.829 1 1 1144 . 7 1 1 A 113 113 THR C C 326 173.264 175.258 -1.994 1 1 1145 . 7 1 1 A 113 113 THR CA C 326 64.857 65.089 -0.232 1 1 1146 . 7 1 1 A 113 113 THR CB C 326 66.749 69.133 -2.384 1 1 1148 . 7 1 1 A 113 113 THR N N 326 113.146 118.654 -5.508 1 1 1149 . 7 1 1 A 114 114 ASP H H 327 8.801 7.702 1.099 1 1 1150 . 7 1 1 A 114 114 ASP HA H 327 4.099 4.710 -0.611 1 1 1153 . 7 1 1 A 114 114 ASP C C 327 176.262 178.575 -2.313 1 1 1154 . 7 1 1 A 114 114 ASP CA C 327 52.768 55.805 -3.037 1 1 1155 . 7 1 1 A 114 114 ASP CB C 327 39.312 41.703 -2.391 1 1 1156 . 7 1 1 A 114 114 ASP N N 327 112.026 120.691 -8.665 1 1 1157 . 7 1 1 A 115 115 GLY H H 328 8.462 8.062 0.400 1 1 1158 . 7 1 1 A 115 115 GLY HA2 H 328 4.010 3.743 0.267 1 1 1159 . 7 1 1 A 115 115 GLY HA3 H 328 4.010 3.755 0.255 1 1 1160 . 7 1 1 A 115 115 GLY C C 328 171.918 173.921 -2.003 1 1 1161 . 7 1 1 A 115 115 GLY CA C 328 45.463 47.280 -1.817 1 1 1162 . 7 1 1 A 115 115 GLY N N 328 107.749 107.332 0.417 1 1 1163 . 7 1 1 A 116 116 GLN H H 329 6.657 7.744 -1.087 1 1 1164 . 7 1 1 A 116 116 GLN HA H 329 4.441 4.772 -0.331 1 1 1170 . 7 1 1 A 116 116 GLN C C 329 174.196 175.294 -1.098 1 1 1171 . 7 1 1 A 116 116 GLN CA C 329 55.204 54.338 0.866 1 1 1172 . 7 1 1 A 116 116 GLN CB C 329 28.541 32.727 -4.186 1 1 1174 . 7 1 1 A 116 116 GLN N N 329 115.146 116.278 -1.132 1 1 1176 . 7 1 1 A 117 117 GLU H H 330 8.624 8.793 -0.169 1 1 1177 . 7 1 1 A 117 117 GLU HA H 330 4.733 4.694 0.039 1 1 1178 . 7 1 1 A 117 117 GLU C C 330 175.357 175.565 -0.208 1 1 1179 . 7 1 1 A 117 117 GLU CA C 330 55.191 55.920 -0.729 1 1 1180 . 7 1 1 A 117 117 GLU CB C 330 32.586 31.236 1.350 1 1 1182 . 7 1 1 A 117 117 GLU N N 330 119.031 124.492 -5.461 1 1 1183 . 7 1 1 A 118 118 ALA H H 331 8.995 7.653 1.342 1 1 1184 . 7 1 1 A 118 118 ALA HA H 331 5.165 4.768 0.397 1 1 1188 . 7 1 1 A 118 118 ALA C C 331 173.650 174.197 -0.547 1 1 1189 . 7 1 1 A 118 118 ALA CA C 331 48.343 50.393 -2.050 1 1 1190 . 7 1 1 A 118 118 ALA CB C 331 20.353 21.914 -1.561 1 1 1191 . 7 1 1 A 118 118 ALA N N 331 123.550 121.449 2.101 1 1 1192 . 7 1 1 A 119 119 PRO HA H 332 4.819 4.689 0.130 1 1 1193 . 7 1 1 A 119 119 PRO C C 332 177.819 177.466 0.353 1 1 1194 . 7 1 1 A 119 119 PRO CA C 332 62.007 62.844 -0.837 1 1 1195 . 7 1 1 A 119 119 PRO CB C 332 32.081 32.383 -0.302 1 1 1197 . 7 1 1 A 120 120 ILE H H 333 8.574 8.960 -0.386 1 1 1198 . 7 1 1 A 120 120 ILE HA H 333 3.278 3.965 -0.687 1 1 1206 . 7 1 1 A 120 120 ILE C C 333 177.316 177.591 -0.275 1 1 1207 . 7 1 1 A 120 120 ILE CA C 333 66.025 63.409 2.616 1 1 1208 . 7 1 1 A 120 120 ILE CB C 333 37.991 37.590 0.401 1 1 1212 . 7 1 1 A 120 120 ILE N N 333 126.740 124.292 2.448 1 1 1213 . 7 1 1 A 121 121 TYR H H 334 9.192 8.099 1.093 1 1 1214 . 7 1 1 A 121 121 TYR HA H 334 3.942 4.126 -0.184 1 1 1219 . 7 1 1 A 121 121 TYR C C 334 177.847 177.949 -0.102 1 1 1220 . 7 1 1 A 121 121 TYR CA C 334 60.688 60.308 0.380 1 1 1221 . 7 1 1 A 121 121 TYR CB C 334 38.803 37.975 0.828 1 1 1224 . 7 1 1 A 121 121 TYR N N 334 117.479 121.919 -4.440 1 1 1225 . 7 1 1 A 122 122 GLU H H 335 7.178 8.296 -1.118 1 1 1226 . 7 1 1 A 122 122 GLU HA H 335 3.751 4.098 -0.347 1 1 1228 . 7 1 1 A 122 122 GLU C C 335 176.427 179.161 -2.734 1 1 1229 . 7 1 1 A 122 122 GLU CA C 335 58.378 58.959 -0.581 1 1 1230 . 7 1 1 A 122 122 GLU CB C 335 29.477 29.483 -0.006 1 1 1232 . 7 1 1 A 122 122 GLU N N 335 115.885 120.892 -5.007 1 1 1233 . 7 1 1 A 123 123 LEU H H 336 7.440 8.221 -0.781 1 1 1234 . 7 1 1 A 123 123 LEU HA H 336 4.123 4.021 0.102 1 1 1244 . 7 1 1 A 123 123 LEU C C 336 177.925 179.560 -1.635 1 1 1245 . 7 1 1 A 123 123 LEU CA C 336 56.646 57.920 -1.274 1 1 1246 . 7 1 1 A 123 123 LEU CB C 336 40.661 42.094 -1.433 1 1 1250 . 7 1 1 A 123 123 LEU N N 336 115.934 120.164 -4.230 1 1 1251 . 7 1 1 A 124 124 THR H H 337 8.009 8.162 -0.153 1 1 1252 . 7 1 1 A 124 124 THR HA H 337 3.597 4.139 -0.542 1 1 1257 . 7 1 1 A 124 124 THR C C 337 177.568 176.827 0.741 1 1 1258 . 7 1 1 A 124 124 THR CA C 337 64.110 65.137 -1.027 1 1 1259 . 7 1 1 A 124 124 THR CB C 337 67.603 68.531 -0.928 1 1 1261 . 7 1 1 A 124 124 THR N N 337 107.827 109.833 -2.006 1 1 1262 . 7 1 1 A 125 125 SER H H 338 7.435 7.858 -0.423 1 1 1263 . 7 1 1 A 125 125 SER HA H 338 3.723 4.105 -0.382 1 1 1266 . 7 1 1 A 125 125 SER C C 338 174.040 176.882 -2.842 1 1 1267 . 7 1 1 A 125 125 SER CA C 338 60.514 61.139 -0.625 1 1 1268 . 7 1 1 A 125 125 SER CB C 338 62.391 63.216 -0.825 1 1 1269 . 7 1 1 A 125 125 SER N N 338 112.670 117.491 -4.821 1 1 1270 . 7 1 1 A 126 126 GLN H H 339 7.071 7.802 -0.731 1 1 1271 . 7 1 1 A 126 126 GLN HA H 339 3.850 4.203 -0.353 1 1 1276 . 7 1 1 A 126 126 GLN C C 339 173.915 176.906 -2.991 1 1 1277 . 7 1 1 A 126 126 GLN CA C 339 56.106 58.234 -2.128 1 1 1278 . 7 1 1 A 126 126 GLN CB C 339 27.028 29.176 -2.148 1 1 1280 . 7 1 1 A 126 126 GLN N N 339 117.347 120.456 -3.109 1 1 1281 . 7 1 1 A 127 127 PHE H H 340 7.355 8.135 -0.780 1 1 1282 . 7 1 1 A 127 127 PHE HA H 340 4.515 4.554 -0.039 1 1 1285 . 7 1 1 A 127 127 PHE C C 340 175.241 175.922 -0.681 1 1 1286 . 7 1 1 A 127 127 PHE CA C 340 57.914 59.379 -1.465 1 1 1287 . 7 1 1 A 127 127 PHE CB C 340 38.496 39.231 -0.735 1 1 1288 . 7 1 1 A 127 127 PHE N N 340 110.412 121.279 -10.867 1 1 1289 . 7 1 1 A 128 128 THR H H 341 6.785 7.423 -0.638 1 1 1290 . 7 1 1 A 128 128 THR HA H 341 4.294 4.289 0.005 1 1 1295 . 7 1 1 A 128 128 THR C C 341 174.727 175.679 -0.952 1 1 1296 . 7 1 1 A 128 128 THR CA C 341 62.016 63.178 -1.162 1 1 1297 . 7 1 1 A 128 128 THR CB C 341 69.757 69.418 0.339 1 1 1299 . 7 1 1 A 128 128 THR N N 341 107.455 113.987 -6.532 1 1 1300 . 7 1 1 A 129 129 GLY H H 342 10.506 8.775 1.731 1 1 1301 . 7 1 1 A 129 129 GLY HA2 H 342 3.841 3.840 0.001 1 1 1302 . 7 1 1 A 129 129 GLY HA3 H 342 3.648 3.886 -0.238 1 1 1303 . 7 1 1 A 129 129 GLY C C 342 175.631 174.630 1.001 1 1 1304 . 7 1 1 A 129 129 GLY CA C 342 47.056 46.595 0.461 1 1 1305 . 7 1 1 A 129 129 GLY N N 342 111.023 114.032 -3.009 1 1 1306 . 7 1 1 A 130 130 LEU H H 343 8.003 7.864 0.139 1 1 1307 . 7 1 1 A 130 130 LEU HA H 343 4.135 4.381 -0.246 1 1 1317 . 7 1 1 A 130 130 LEU C C 343 178.627 177.263 1.364 1 1 1318 . 7 1 1 A 130 130 LEU CA C 343 56.606 55.075 1.531 1 1 1319 . 7 1 1 A 130 130 LEU CB C 343 42.399 42.411 -0.012 1 1 1323 . 7 1 1 A 130 130 LEU N N 343 116.983 119.671 -2.688 1 1 1324 . 7 1 1 A 131 131 LYS H H 344 6.961 7.930 -0.969 1 1 1325 . 7 1 1 A 131 131 LYS HA H 344 4.001 4.431 -0.430 1 1 1333 . 7 1 1 A 131 131 LYS C C 344 176.224 176.787 -0.563 1 1 1334 . 7 1 1 A 131 131 LYS CA C 344 57.534 56.571 0.963 1 1 1335 . 7 1 1 A 131 131 LYS CB C 344 33.404 34.980 -1.576 1 1 1339 . 7 1 1 A 131 131 LYS N N 344 116.907 115.958 0.949 1 1 1340 . 7 1 1 A 132 132 CYS H H 345 8.564 8.129 0.435 1 1 1341 . 7 1 1 A 132 132 CYS HA H 345 4.930 4.850 0.080 1 1 1344 . 7 1 1 A 132 132 CYS C C 345 172.261 172.760 -0.499 1 1 1345 . 7 1 1 A 132 132 CYS CA C 345 56.566 56.762 -0.196 1 1 1346 . 7 1 1 A 132 132 CYS CB C 345 49.011 27.779 21.232 1 1 1347 . 7 1 1 A 132 132 CYS N N 345 117.718 117.774 -0.056 1 1 1348 . 7 1 1 A 133 133 PRO HA H 346 4.719 4.344 0.375 1 1 1354 . 7 1 1 A 133 133 PRO C C 346 179.500 177.512 1.988 1 1 1355 . 7 1 1 A 133 133 PRO CA C 346 62.681 64.487 -1.806 1 1 1356 . 7 1 1 A 133 133 PRO CB C 346 34.366 31.970 2.396 1 1 1359 . 7 1 1 A 134 134 SER H H 347 8.896 8.167 0.729 1 1 1360 . 7 1 1 A 134 134 SER HA H 347 4.415 4.257 0.158 1 1 1363 . 7 1 1 A 134 134 SER C C 347 174.434 175.815 -1.381 1 1 1364 . 7 1 1 A 134 134 SER CA C 347 60.509 61.082 -0.573 1 1 1365 . 7 1 1 A 134 134 SER CB C 347 62.207 62.907 -0.700 1 1 1366 . 7 1 1 A 134 134 SER N N 347 112.882 112.115 0.767 1 1 1367 . 7 1 1 A 135 135 LEU H H 348 7.549 7.787 -0.238 1 1 1368 . 7 1 1 A 135 135 LEU HA H 348 4.466 4.477 -0.011 1 1 1378 . 7 1 1 A 135 135 LEU C C 348 176.458 177.265 -0.807 1 1 1379 . 7 1 1 A 135 135 LEU CA C 348 53.787 54.565 -0.778 1 1 1380 . 7 1 1 A 135 135 LEU CB C 348 44.189 41.923 2.266 1 1 1384 . 7 1 1 A 135 135 LEU N N 348 118.501 119.357 -0.856 1 1 1385 . 7 1 1 A 136 136 ALA H H 349 7.776 7.332 0.444 1 1 1386 . 7 1 1 A 136 136 ALA HA H 349 4.056 4.317 -0.261 1 1 1390 . 7 1 1 A 136 136 ALA C C 349 178.620 179.037 -0.417 1 1 1391 . 7 1 1 A 136 136 ALA CA C 349 54.406 51.925 2.481 1 1 1392 . 7 1 1 A 136 136 ALA CB C 349 17.934 19.750 -1.816 1 1 1393 . 7 1 1 A 136 136 ALA N N 349 125.801 120.823 4.978 1 1 1394 . 7 1 1 A 137 137 GLY H H 350 9.371 7.889 1.482 1 1 1395 . 7 1 1 A 137 137 GLY C C 350 173.026 173.846 -0.820 1 1 1396 . 7 1 1 A 137 137 GLY CA C 350 45.132 45.451 -0.319 1 1 1397 . 7 1 1 A 137 137 GLY N N 350 111.181 106.609 4.572 1 1 1398 . 7 1 1 A 138 138 LYS H H 351 8.038 7.651 0.387 1 1 1399 . 7 1 1 A 138 138 LYS HA H 351 4.660 4.955 -0.295 1 1 1400 . 7 1 1 A 138 138 LYS C C 351 172.078 174.667 -2.589 1 1 1401 . 7 1 1 A 138 138 LYS CA C 351 52.728 53.628 -0.900 1 1 1402 . 7 1 1 A 138 138 LYS CB C 351 32.069 35.101 -3.032 1 1 1404 . 7 1 1 A 138 138 LYS N N 351 119.821 117.843 1.978 1 1 1405 . 7 1 1 A 139 139 PRO HA H 352 4.300 4.602 -0.302 1 1 1412 . 7 1 1 A 139 139 PRO C C 352 173.954 175.331 -1.377 1 1 1413 . 7 1 1 A 139 139 PRO CA C 352 62.595 62.548 0.047 1 1 1414 . 7 1 1 A 139 139 PRO CB C 352 31.399 33.217 -1.818 1 1 1417 . 7 1 1 A 140 140 LYS H H 353 8.188 8.997 -0.809 1 1 1418 . 7 1 1 A 140 140 LYS HA H 353 4.610 4.234 0.376 1 1 1419 . 7 1 1 A 140 140 LYS C C 353 173.494 174.149 -0.655 1 1 1420 . 7 1 1 A 140 140 LYS CA C 353 55.344 55.384 -0.040 1 1 1421 . 7 1 1 A 140 140 LYS CB C 353 32.527 36.009 -3.482 1 1 1423 . 7 1 1 A 140 140 LYS N N 353 123.304 121.477 1.827 1 1 1424 . 7 1 1 A 141 141 VAL H H 354 8.344 8.597 -0.253 1 1 1425 . 7 1 1 A 141 141 VAL HA H 354 4.533 4.926 -0.393 1 1 1433 . 7 1 1 A 141 141 VAL C C 354 172.277 174.781 -2.504 1 1 1434 . 7 1 1 A 141 141 VAL CA C 354 60.596 60.757 -0.161 1 1 1435 . 7 1 1 A 141 141 VAL CB C 354 33.580 33.981 -0.401 1 1 1438 . 7 1 1 A 141 141 VAL N N 354 122.550 125.342 -2.792 1 1 1439 . 7 1 1 A 142 142 PHE H H 355 8.985 8.514 0.471 1 1 1440 . 7 1 1 A 142 142 PHE HA H 355 5.436 4.828 0.608 1 1 1441 . 7 1 1 A 142 142 PHE C C 355 173.666 172.971 0.695 1 1 1442 . 7 1 1 A 142 142 PHE CA C 355 54.968 57.352 -2.384 1 1 1443 . 7 1 1 A 142 142 PHE CB C 355 42.877 42.565 0.312 1 1 1444 . 7 1 1 A 142 142 PHE N N 355 123.850 125.687 -1.837 1 1 1445 . 7 1 1 A 143 143 PHE H H 356 8.584 8.763 -0.179 1 1 1446 . 7 1 1 A 143 143 PHE HA H 356 5.934 5.199 0.735 1 1 1449 . 7 1 1 A 143 143 PHE C C 356 174.526 174.743 -0.217 1 1 1450 . 7 1 1 A 143 143 PHE CA C 356 55.909 56.278 -0.369 1 1 1451 . 7 1 1 A 143 143 PHE CB C 356 39.923 39.654 0.269 1 1 1454 . 7 1 1 A 143 143 PHE N N 356 119.801 126.108 -6.307 1 1 1455 . 7 1 1 A 144 144 ILE H H 357 9.020 9.184 -0.164 1 1 1456 . 7 1 1 A 144 144 ILE HA H 357 5.040 4.246 0.794 1 1 1466 . 7 1 1 A 144 144 ILE C C 357 173.323 175.296 -1.973 1 1 1467 . 7 1 1 A 144 144 ILE CA C 357 59.479 61.701 -2.222 1 1 1468 . 7 1 1 A 144 144 ILE CB C 357 40.898 39.421 1.477 1 1 1472 . 7 1 1 A 144 144 ILE N N 357 121.194 127.257 -6.063 1 1 1473 . 7 1 1 A 145 145 GLN H H 358 8.856 8.097 0.759 1 1 1474 . 7 1 1 A 145 145 GLN HA H 358 4.670 5.014 -0.344 1 1 1475 . 7 1 1 A 145 145 GLN C C 358 171.591 175.063 -3.472 1 1 1476 . 7 1 1 A 145 145 GLN CA C 358 53.648 55.087 -1.439 1 1 1477 . 7 1 1 A 145 145 GLN CB C 358 30.373 29.819 0.554 1 1 1479 . 7 1 1 A 145 145 GLN N N 358 128.880 127.565 1.315 1 1 1480 . 7 1 1 A 146 146 ALA H H 359 8.418 9.013 -0.595 1 1 1481 . 7 1 1 A 146 146 ALA HA H 359 5.247 5.239 0.008 1 1 1485 . 7 1 1 A 146 146 ALA C C 359 175.319 175.698 -0.379 1 1 1486 . 7 1 1 A 146 146 ALA CA C 359 50.243 51.118 -0.875 1 1 1487 . 7 1 1 A 146 146 ALA CB C 359 18.786 21.524 -2.738 1 1 1488 . 7 1 1 A 146 146 ALA N N 359 128.349 126.350 1.999 1 1 1489 . 7 1 1 A 147 147 ALA H H 360 8.161 8.652 -0.491 1 1 1490 . 7 1 1 A 147 147 ALA HA H 360 4.343 4.923 -0.580 1 1 1494 . 7 1 1 A 147 147 ALA C C 360 177.238 176.940 0.298 1 1 1495 . 7 1 1 A 147 147 ALA CA C 360 52.078 50.419 1.659 1 1 1496 . 7 1 1 A 147 147 ALA CB C 360 20.003 22.007 -2.004 1 1 1497 . 7 1 1 A 147 147 ALA N N 360 123.005 125.214 -2.209 1 1 1498 . 7 1 1 A 148 148 GLN H H 361 8.461 9.348 -0.887 1 1 1499 . 7 1 1 A 148 148 GLN HA H 361 4.663 3.990 0.673 1 1 1504 . 7 1 1 A 148 148 GLN C C 361 176.333 176.186 0.147 1 1 1505 . 7 1 1 A 148 148 GLN CA C 361 55.760 57.032 -1.272 1 1 1506 . 7 1 1 A 148 148 GLN CB C 361 29.937 26.955 2.982 1 1 1508 . 7 1 1 A 148 148 GLN N N 361 120.296 116.390 3.906 1 1 1509 . 7 1 1 A 149 149 GLY H H 362 8.631 8.218 0.413 1 1 1510 . 7 1 1 A 149 149 GLY HA2 H 362 3.858 3.221 0.637 1 1 1511 . 7 1 1 A 149 149 GLY HA3 H 362 3.858 3.933 -0.075 1 1 1512 . 7 1 1 A 149 149 GLY C C 362 172.022 172.920 -0.898 1 1 1513 . 7 1 1 A 149 149 GLY CA C 362 44.969 44.472 0.497 1 1 1514 . 7 1 1 A 149 149 GLY N N 362 109.782 105.963 3.819 1 1 1515 . 7 1 1 A 150 150 ASP H H 363 7.566 8.378 -0.812 1 1 1516 . 7 1 1 A 150 150 ASP HA H 363 4.661 5.142 -0.481 1 1 1519 . 7 1 1 A 150 150 ASP C C 363 174.446 176.522 -2.076 1 1 1520 . 7 1 1 A 150 150 ASP CA C 363 57.776 53.779 3.997 1 1 1521 . 7 1 1 A 150 150 ASP CB C 363 39.423 42.160 -2.737 1 1 1522 . 7 1 1 A 150 150 ASP N N 363 118.182 122.000 -3.818 1 1 1523 . 7 1 1 A 153 153 GLN HA H 366 4.665 4.961 -0.296 1 1 1530 . 7 1 1 A 153 153 GLN CA C 366 53.779 55.418 -1.639 1 1 1531 . 7 1 1 A 153 153 GLN CB C 366 28.988 33.176 -4.188 1 1 1534 . 7 1 1 A 155 155 GLY HA2 H 368 3.899 4.043 -0.144 1 1 1535 . 7 1 1 A 155 155 GLY HA3 H 368 3.899 4.071 -0.172 1 1 1536 . 7 1 1 A 155 155 GLY CA C 368 45.013 44.936 0.077 1 1 1537 . 7 1 1 A 156 156 ILE H H 369 7.871 8.373 -0.502 1 1 1538 . 7 1 1 A 156 156 ILE HA H 369 4.428 4.845 -0.417 1 1 1548 . 7 1 1 A 156 156 ILE C C 369 174.196 175.571 -1.375 1 1 1549 . 7 1 1 A 156 156 ILE CA C 369 58.676 57.315 1.361 1 1 1550 . 7 1 1 A 156 156 ILE CB C 369 38.516 40.056 -1.540 1 1 1554 . 7 1 1 A 156 156 ILE N N 369 120.958 116.337 4.621 1 1 1555 . 7 1 1 A 157 157 PRO HA H 370 4.386 4.420 -0.034 1 1 1562 . 7 1 1 A 157 157 PRO C C 370 176.218 176.688 -0.470 1 1 1563 . 7 1 1 A 157 157 PRO CA C 370 63.431 64.448 -1.017 1 1 1564 . 7 1 1 A 157 157 PRO CB C 370 31.913 32.221 -0.308 1 1 1567 . 7 1 1 A 158 158 VAL H H 371 8.137 7.580 0.557 1 1 1568 . 7 1 1 A 158 158 VAL HA H 371 4.089 4.160 -0.071 1 1 1576 . 7 1 1 A 158 158 VAL C C 371 175.904 175.521 0.383 1 1 1577 . 7 1 1 A 158 158 VAL CA C 371 62.121 60.688 1.433 1 1 1578 . 7 1 1 A 158 158 VAL CB C 371 32.958 33.255 -0.297 1 1 1581 . 7 1 1 A 158 158 VAL N N 371 119.640 114.732 4.908 1 1 1582 . 7 1 1 A 159 159 GLU H H 372 8.523 8.706 -0.183 1 1 1583 . 7 1 1 A 159 159 GLU HA H 372 4.345 4.910 -0.565 1 1 1588 . 7 1 1 A 159 159 GLU C C 372 176.068 175.504 0.564 1 1 1589 . 7 1 1 A 159 159 GLU CA C 372 56.474 55.079 1.395 1 1 1590 . 7 1 1 A 159 159 GLU CB C 372 30.078 32.343 -2.265 1 1 1592 . 7 1 1 A 159 159 GLU N N 372 123.765 117.944 5.821 1 1 1593 . 7 1 1 A 160 160 THR H H 373 8.096 8.657 -0.561 1 1 1594 . 7 1 1 A 160 160 THR HA H 373 4.311 4.317 -0.006 1 1 1599 . 7 1 1 A 160 160 THR C C 373 173.701 173.416 0.285 1 1 1600 . 7 1 1 A 160 160 THR CA C 373 61.845 62.326 -0.481 1 1 1601 . 7 1 1 A 160 160 THR CB C 373 69.760 68.727 1.033 1 1 1603 . 7 1 1 A 160 160 THR N N 373 114.143 114.583 -0.440 1 1 1604 . 7 1 1 A 161 161 ASP H H 374 8.387 8.783 -0.396 1 1 1605 . 7 1 1 A 161 161 ASP HA H 374 4.625 4.737 -0.112 1 1 1608 . 7 1 1 A 161 161 ASP C C 374 175.806 176.455 -0.649 1 1 1609 . 7 1 1 A 161 161 ASP CA C 374 54.478 54.732 -0.254 1 1 1610 . 7 1 1 A 161 161 ASP CB C 374 41.096 41.548 -0.452 1 1 1611 . 7 1 1 A 161 161 ASP N N 374 122.070 128.487 -6.417 1 1 1612 . 7 1 1 A 162 162 SER H H 375 8.175 8.716 -0.541 1 1 1613 . 7 1 1 A 162 162 SER HA H 375 4.385 4.010 0.375 1 1 1616 . 7 1 1 A 162 162 SER C C 375 174.169 174.225 -0.056 1 1 1617 . 7 1 1 A 162 162 SER CA C 375 58.631 58.855 -0.224 1 1 1618 . 7 1 1 A 162 162 SER CB C 375 63.814 61.823 1.991 1 1 1619 . 7 1 1 A 162 162 SER N N 375 115.346 117.179 -1.833 1 1 1620 . 7 1 1 A 163 163 GLU H H 376 8.424 8.287 0.137 1 1 1621 . 7 1 1 A 163 163 GLU HA H 376 4.263 4.616 -0.353 1 1 1626 . 7 1 1 A 163 163 GLU C C 376 175.959 177.629 -1.670 1 1 1627 . 7 1 1 A 163 163 GLU CA C 376 56.567 55.405 1.162 1 1 1628 . 7 1 1 A 163 163 GLU CB C 376 30.044 29.082 0.962 1 1 1630 . 7 1 1 A 163 163 GLU N N 376 122.034 117.710 4.324 1 1 1631 . 7 1 1 A 164 164 GLU H H 377 8.298 8.164 0.134 1 1 1632 . 7 1 1 A 164 164 GLU HA H 377 4.224 4.103 0.121 1 1 1637 . 7 1 1 A 164 164 GLU C C 377 175.816 178.119 -2.303 1 1 1638 . 7 1 1 A 164 164 GLU CA C 377 56.489 59.426 -2.937 1 1 1639 . 7 1 1 A 164 164 GLU CB C 377 30.220 29.449 0.771 1 1 1641 . 7 1 1 A 164 164 GLU N N 377 120.980 121.183 -0.203 1 1 1642 . 7 1 1 A 165 165 GLN H H 378 8.340 7.756 0.584 1 1 1643 . 7 1 1 A 165 165 GLN HA H 378 4.563 4.443 0.120 1 1 1645 . 7 1 1 A 165 165 GLN C C 378 173.510 175.620 -2.110 1 1 1646 . 7 1 1 A 165 165 GLN CA C 378 53.530 58.175 -4.645 1 1 1647 . 7 1 1 A 165 165 GLN CB C 378 28.816 30.288 -1.472 1 1 1649 . 7 1 1 A 165 165 GLN N N 378 121.693 117.588 4.105 1 1 1650 . 7 1 1 A 166 166 PRO HA H 379 4.381 4.778 -0.397 1 1 1657 . 7 1 1 A 166 166 PRO C C 379 176.081 176.387 -0.306 1 1 1658 . 7 1 1 A 166 166 PRO CA C 379 63.260 62.465 0.795 1 1 1659 . 7 1 1 A 166 166 PRO CB C 379 32.010 29.738 2.272 1 1 1662 . 7 1 1 A 167 167 TYR H H 380 8.116 8.456 -0.340 1 1 1663 . 7 1 1 A 167 167 TYR HA H 380 4.513 4.696 -0.183 1 1 1668 . 7 1 1 A 167 167 TYR C C 380 174.992 175.126 -0.134 1 1 1669 . 7 1 1 A 167 167 TYR CA C 380 57.699 57.616 0.083 1 1 1670 . 7 1 1 A 167 167 TYR CB C 380 38.344 39.878 -1.534 1 1 1673 . 7 1 1 A 167 167 TYR N N 380 119.531 120.214 -0.683 1 1 1674 . 7 1 1 A 168 168 LEU H H 381 7.953 8.216 -0.263 1 1 1675 . 7 1 1 A 168 168 LEU HA H 381 4.267 5.037 -0.770 1 1 1685 . 7 1 1 A 168 168 LEU C C 381 176.162 175.355 0.807 1 1 1686 . 7 1 1 A 168 168 LEU CA C 381 54.808 53.075 1.733 1 1 1687 . 7 1 1 A 168 168 LEU CB C 381 42.735 45.014 -2.279 1 1 1691 . 7 1 1 A 168 168 LEU N N 381 124.133 121.124 3.009 1 1 1692 . 7 1 1 A 169 169 GLU H H 382 8.190 8.528 -0.338 1 1 1693 . 7 1 1 A 169 169 GLU HA H 382 4.167 4.741 -0.574 1 1 1698 . 7 1 1 A 169 169 GLU C C 382 175.881 174.922 0.959 1 1 1699 . 7 1 1 A 169 169 GLU CA C 382 56.655 55.950 0.705 1 1 1700 . 7 1 1 A 169 169 GLU CB C 382 30.058 33.055 -2.997 1 1 1702 . 7 1 1 A 169 169 GLU N N 382 121.131 120.731 0.400 1 1 1703 . 7 1 1 A 170 170 MET H H 383 8.214 8.680 -0.466 1 1 1704 . 7 1 1 A 170 170 MET HA H 383 4.377 5.192 -0.815 1 1 1709 . 7 1 1 A 170 170 MET C C 383 175.132 174.895 0.237 1 1 1710 . 7 1 1 A 170 170 MET CA C 383 55.606 54.596 1.010 1 1 1711 . 7 1 1 A 170 170 MET CB C 383 33.091 37.154 -4.063 1 1 1713 . 7 1 1 A 170 170 MET N N 383 120.601 123.405 -2.804 1 1 1714 . 7 1 1 A 171 171 ASP H H 384 8.358 8.940 -0.582 1 1 1715 . 7 1 1 A 171 171 ASP HA H 384 4.575 5.402 -0.827 1 1 1718 . 7 1 1 A 171 171 ASP C C 384 175.966 175.146 0.820 1 1 1719 . 7 1 1 A 171 171 ASP CA C 384 53.741 51.913 1.828 1 1 1720 . 7 1 1 A 171 171 ASP CB C 384 40.571 42.280 -1.709 1 1 1721 . 7 1 1 A 171 171 ASP N N 384 121.104 122.225 -1.121 1 1 1722 . 7 1 1 A 172 172 LEU H H 385 8.285 8.498 -0.213 1 1 1723 . 7 1 1 A 172 172 LEU HA H 385 4.305 5.046 -0.741 1 1 1733 . 7 1 1 A 172 172 LEU C C 385 177.140 176.885 0.255 1 1 1734 . 7 1 1 A 172 172 LEU CA C 385 55.122 53.289 1.833 1 1 1735 . 7 1 1 A 172 172 LEU CB C 385 41.851 45.510 -3.659 1 1 1739 . 7 1 1 A 172 172 LEU N N 385 123.115 114.070 9.045 1 1 1740 . 7 1 1 A 173 173 SER H H 386 8.290 8.703 -0.413 1 1 1741 . 7 1 1 A 173 173 SER N N 386 115.101 117.303 -2.202 1 1 1742 . 7 1 1 A 176 176 GLN HA H 389 4.383 4.731 -0.348 1 1 1749 . 7 1 1 A 176 176 GLN CA C 389 55.991 55.109 0.882 1 1 1750 . 7 1 1 A 176 176 GLN CB C 389 29.280 32.324 -3.044 1 1 1753 . 7 1 1 A 177 177 THR H H 390 6.958 8.950 -1.992 1 1 1754 . 7 1 1 A 177 177 THR HA H 390 3.970 5.134 -1.164 1 1 1759 . 7 1 1 A 177 177 THR C C 390 172.764 174.009 -1.245 1 1 1760 . 7 1 1 A 177 177 THR CA C 390 62.221 59.346 2.875 1 1 1761 . 7 1 1 A 177 177 THR CB C 390 69.382 71.327 -1.945 1 1 1763 . 7 1 1 A 177 177 THR N N 390 115.463 117.284 -1.821 1 1 1764 . 7 1 1 A 178 178 ARG H H 391 7.873 8.373 -0.500 1 1 1765 . 7 1 1 A 178 178 ARG C C 391 174.982 175.406 -0.424 1 1 1766 . 7 1 1 A 178 178 ARG CA C 391 55.266 55.800 -0.534 1 1 1767 . 7 1 1 A 178 178 ARG CB C 391 31.052 31.239 -0.187 1 1 1769 . 7 1 1 A 178 178 ARG N N 391 122.116 121.376 0.740 1 1 1770 . 7 1 1 A 179 179 TYR H H 392 8.812 8.579 0.233 1 1 1771 . 7 1 1 A 179 179 TYR HA H 392 4.621 4.721 -0.100 1 1 1776 . 7 1 1 A 179 179 TYR C C 392 174.337 175.490 -1.153 1 1 1777 . 7 1 1 A 179 179 TYR CA C 392 57.444 57.564 -0.120 1 1 1778 . 7 1 1 A 179 179 TYR CB C 392 40.623 39.102 1.521 1 1 1781 . 7 1 1 A 179 179 TYR N N 392 118.296 119.313 -1.017 1 1 1782 . 7 1 1 A 180 180 ILE H H 393 7.254 8.904 -1.650 1 1 1783 . 7 1 1 A 180 180 ILE HA H 393 4.610 4.441 0.169 1 1 1793 . 7 1 1 A 180 180 ILE C C 393 171.654 176.123 -4.469 1 1 1794 . 7 1 1 A 180 180 ILE CA C 393 56.916 57.454 -0.538 1 1 1795 . 7 1 1 A 180 180 ILE CB C 393 39.736 38.753 0.983 1 1 1799 . 7 1 1 A 180 180 ILE N N 393 108.609 123.474 -14.865 1 1 1800 . 7 1 1 A 181 181 PRO HA H 394 4.709 4.358 0.351 1 1 1807 . 7 1 1 A 181 181 PRO C C 394 173.910 177.453 -3.543 1 1 1808 . 7 1 1 A 181 181 PRO CA C 394 62.144 65.015 -2.871 1 1 1809 . 7 1 1 A 181 181 PRO CB C 394 32.527 31.711 0.816 1 1 1812 . 7 1 1 A 182 182 ASP H H 395 8.296 8.169 0.127 1 1 1813 . 7 1 1 A 182 182 ASP HA H 395 4.665 4.233 0.432 1 1 1816 . 7 1 1 A 182 182 ASP C C 395 175.120 174.705 0.415 1 1 1817 . 7 1 1 A 182 182 ASP CA C 395 52.455 55.475 -3.020 1 1 1818 . 7 1 1 A 182 182 ASP CB C 395 38.742 39.641 -0.899 1 1 1819 . 7 1 1 A 182 182 ASP N N 395 120.042 118.781 1.261 1 1 1820 . 7 1 1 A 183 183 GLU H H 396 7.651 7.651 0.000 1 1 1821 . 7 1 1 A 183 183 GLU HA H 396 4.492 5.042 -0.550 1 1 1826 . 7 1 1 A 183 183 GLU C C 396 173.702 175.118 -1.416 1 1 1827 . 7 1 1 A 183 183 GLU CA C 396 54.897 54.736 0.161 1 1 1828 . 7 1 1 A 183 183 GLU CB C 396 32.509 33.259 -0.750 1 1 1830 . 7 1 1 A 183 183 GLU N N 396 117.840 117.999 -0.159 1 1 1831 . 7 1 1 A 184 184 ALA H H 397 8.365 8.722 -0.357 1 1 1832 . 7 1 1 A 184 184 ALA HA H 397 4.394 4.896 -0.502 1 1 1836 . 7 1 1 A 184 184 ALA C C 397 175.829 176.107 -0.278 1 1 1837 . 7 1 1 A 184 184 ALA CA C 397 52.770 50.447 2.323 1 1 1838 . 7 1 1 A 184 184 ALA CB C 397 20.682 22.465 -1.783 1 1 1839 . 7 1 1 A 184 184 ALA N N 397 121.613 121.555 0.058 1 1 1840 . 7 1 1 A 185 185 ASP H H 398 7.245 8.760 -1.515 1 1 1841 . 7 1 1 A 185 185 ASP HA H 398 4.092 4.125 -0.033 1 1 1844 . 7 1 1 A 185 185 ASP C C 398 172.730 174.383 -1.653 1 1 1845 . 7 1 1 A 185 185 ASP CA C 398 56.144 55.504 0.640 1 1 1846 . 7 1 1 A 185 185 ASP CB C 398 39.841 39.329 0.512 1 1 1847 . 7 1 1 A 185 185 ASP N N 398 105.829 115.687 -9.858 1 1 1848 . 7 1 1 A 186 186 PHE H H 399 8.467 7.506 0.961 1 1 1849 . 7 1 1 A 186 186 PHE HA H 399 5.486 5.244 0.242 1 1 1852 . 7 1 1 A 186 186 PHE C C 399 176.218 174.098 2.120 1 1 1853 . 7 1 1 A 186 186 PHE CA C 399 57.959 56.335 1.624 1 1 1854 . 7 1 1 A 186 186 PHE CB C 399 44.529 43.857 0.672 1 1 1855 . 7 1 1 A 186 186 PHE N N 399 116.177 118.065 -1.888 1 1 1856 . 7 1 1 A 187 187 LEU H H 400 8.964 8.943 0.021 1 1 1857 . 7 1 1 A 187 187 LEU HA H 400 4.963 5.306 -0.343 1 1 1867 . 7 1 1 A 187 187 LEU C C 400 171.747 174.269 -2.522 1 1 1868 . 7 1 1 A 187 187 LEU CA C 400 55.422 53.441 1.981 1 1 1869 . 7 1 1 A 187 187 LEU CB C 400 45.641 46.108 -0.467 1 1 1873 . 7 1 1 A 187 187 LEU N N 400 121.383 122.532 -1.149 1 1 1874 . 7 1 1 A 188 188 LEU H H 401 9.312 8.362 0.950 1 1 1875 . 7 1 1 A 188 188 LEU HA H 401 5.580 4.799 0.781 1 1 1885 . 7 1 1 A 188 188 LEU C C 401 173.853 176.352 -2.499 1 1 1886 . 7 1 1 A 188 188 LEU CA C 401 53.421 54.024 -0.603 1 1 1887 . 7 1 1 A 188 188 LEU CB C 401 45.403 45.260 0.143 1 1 1891 . 7 1 1 A 188 188 LEU N N 401 128.151 126.395 1.756 1 1 1892 . 7 1 1 A 189 189 GLY H H 402 9.415 8.810 0.605 1 1 1893 . 7 1 1 A 189 189 GLY HA2 H 402 4.670 3.872 0.798 1 1 1894 . 7 1 1 A 189 189 GLY HA3 H 402 3.663 3.969 -0.306 1 1 1895 . 7 1 1 A 189 189 GLY C C 402 171.014 174.487 -3.473 1 1 1896 . 7 1 1 A 189 189 GLY CA C 402 44.967 45.920 -0.953 1 1 1897 . 7 1 1 A 189 189 GLY N N 402 115.881 114.630 1.251 1 1 1898 . 7 1 1 A 190 190 MET H H 403 8.118 7.673 0.445 1 1 1899 . 7 1 1 A 190 190 MET HA H 403 5.314 4.593 0.721 1 1 1907 . 7 1 1 A 190 190 MET C C 403 173.744 175.242 -1.498 1 1 1908 . 7 1 1 A 190 190 MET CA C 403 53.284 55.037 -1.753 1 1 1909 . 7 1 1 A 190 190 MET CB C 403 36.614 33.574 3.040 1 1 1912 . 7 1 1 A 190 190 MET N N 403 122.165 117.697 4.468 1 1 1934 . 7 1 1 A 203 203 ALA H H 416 8.076 7.890 0.186 1 1 1935 . 7 1 1 A 203 203 ALA HA H 416 4.228 4.008 0.220 1 1 1939 . 7 1 1 A 203 203 ALA C C 416 176.895 177.175 -0.280 1 1 1940 . 7 1 1 A 203 203 ALA CA C 416 52.743 53.143 -0.400 1 1 1941 . 7 1 1 A 203 203 ALA CB C 416 18.723 17.251 1.472 1 1 1942 . 7 1 1 A 203 203 ALA N N 416 119.053 119.071 -0.018 1 1 1943 . 7 1 1 A 204 204 GLU H H 417 7.784 8.402 -0.618 1 1 1944 . 7 1 1 A 204 204 GLU HA H 417 4.350 4.365 -0.015 1 1 1949 . 7 1 1 A 204 204 GLU C C 417 175.678 176.870 -1.192 1 1 1950 . 7 1 1 A 204 204 GLU CA C 417 55.650 56.854 -1.204 1 1 1951 . 7 1 1 A 204 204 GLU CB C 417 30.312 31.628 -1.316 1 1 1953 . 7 1 1 A 204 204 GLU N N 417 116.458 115.081 1.377 1 1 1954 . 7 1 1 A 205 205 GLY H H 418 7.910 7.515 0.395 1 1 1955 . 7 1 1 A 205 205 GLY CA C 418 43.804 44.703 -0.899 1 1 1956 . 7 1 1 A 205 205 GLY N N 418 108.024 107.248 0.776 1 1 1957 . 7 1 1 A 206 206 THR H H 419 8.364 8.098 0.266 1 1 1958 . 7 1 1 A 206 206 THR HA H 419 4.316 3.877 0.439 1 1 1963 . 7 1 1 A 206 206 THR CA C 419 64.682 62.699 1.983 1 1 1964 . 7 1 1 A 206 206 THR CB C 419 69.304 66.566 2.738 1 1 1966 . 7 1 1 A 206 206 THR N N 419 115.417 111.984 3.433 1 1 1967 . 7 1 1 A 207 207 TRP HA H 420 4.116 4.737 -0.621 1 1 1976 . 7 1 1 A 207 207 TRP CA C 420 61.178 57.596 3.582 1 1 1977 . 7 1 1 A 207 207 TRP CB C 420 28.670 30.662 -1.992 1 1 1984 . 7 1 1 A 209 209 ILE H H 422 6.744 8.922 -2.178 1 1 1985 . 7 1 1 A 209 209 ILE HA H 422 3.349 4.474 -1.125 1 1 1993 . 7 1 1 A 209 209 ILE C C 422 178.143 176.118 2.025 1 1 1994 . 7 1 1 A 209 209 ILE CA C 422 60.865 60.804 0.061 1 1 1995 . 7 1 1 A 209 209 ILE CB C 422 34.371 37.342 -2.971 1 1 1999 . 7 1 1 A 209 209 ILE N N 422 113.211 121.647 -8.436 1 1 2000 . 7 1 1 A 210 210 GLN H H 423 8.252 7.652 0.600 1 1 2001 . 7 1 1 A 210 210 GLN HA H 423 3.548 4.147 -0.599 1 1 2006 . 7 1 1 A 210 210 GLN C C 423 179.079 176.582 2.497 1 1 2007 . 7 1 1 A 210 210 GLN CA C 423 58.795 56.986 1.809 1 1 2008 . 7 1 1 A 210 210 GLN CB C 423 26.704 28.668 -1.964 1 1 2010 . 7 1 1 A 210 210 GLN N N 423 116.455 123.590 -7.135 1 1 2011 . 7 1 1 A 211 211 SER H H 424 8.162 8.987 -0.825 1 1 2012 . 7 1 1 A 211 211 SER HA H 424 3.961 4.144 -0.183 1 1 2015 . 7 1 1 A 211 211 SER C C 424 179.150 174.482 4.668 1 1 2016 . 7 1 1 A 211 211 SER CA C 424 61.850 60.190 1.660 1 1 2017 . 7 1 1 A 211 211 SER CB C 424 62.214 61.200 1.014 1 1 2018 . 7 1 1 A 211 211 SER N N 424 115.041 118.319 -3.278 1 1 2019 . 7 1 1 A 212 212 LEU H H 425 8.061 7.808 0.253 1 1 2020 . 7 1 1 A 212 212 LEU HA H 425 3.540 4.003 -0.463 1 1 2030 . 7 1 1 A 212 212 LEU C C 425 177.566 178.333 -0.767 1 1 2031 . 7 1 1 A 212 212 LEU CA C 425 58.548 57.772 0.776 1 1 2032 . 7 1 1 A 212 212 LEU CB C 425 41.665 41.390 0.275 1 1 2036 . 7 1 1 A 212 212 LEU N N 425 124.082 121.163 2.919 1 1 2037 . 7 1 1 A 213 213 CYS H H 426 7.940 8.043 -0.103 1 1 2038 . 7 1 1 A 213 213 CYS HA H 426 3.628 4.062 -0.434 1 1 2041 . 7 1 1 A 213 213 CYS C C 426 175.741 177.382 -1.641 1 1 2042 . 7 1 1 A 213 213 CYS CA C 426 65.159 61.077 4.082 1 1 2043 . 7 1 1 A 213 213 CYS CB C 426 49.251 27.916 21.335 1 1 2044 . 7 1 1 A 213 213 CYS N N 426 114.351 117.015 -2.664 1 1 2045 . 7 1 1 A 214 214 GLN H H 427 7.510 8.278 -0.768 1 1 2046 . 7 1 1 A 214 214 GLN HA H 427 3.772 4.042 -0.270 1 1 2051 . 7 1 1 A 214 214 GLN C C 427 177.769 177.496 0.273 1 1 2052 . 7 1 1 A 214 214 GLN CA C 427 59.019 58.421 0.598 1 1 2053 . 7 1 1 A 214 214 GLN CB C 427 27.718 27.461 0.257 1 1 2055 . 7 1 1 A 214 214 GLN N N 427 117.399 120.933 -3.534 1 1 2056 . 7 1 1 A 215 215 SER H H 428 7.906 7.773 0.133 1 1 2057 . 7 1 1 A 215 215 SER HA H 428 4.173 4.391 -0.218 1 1 2060 . 7 1 1 A 215 215 SER CA C 428 62.653 61.453 1.200 1 1 2061 . 7 1 1 A 215 215 SER CB C 428 62.889 63.442 -0.553 1 1 2062 . 7 1 1 A 215 215 SER N N 428 113.799 116.663 -2.864 1 1 2063 . 7 1 1 A 216 216 LEU H H 429 8.505 7.828 0.677 1 1 2064 . 7 1 1 A 216 216 LEU HA H 429 4.156 4.009 0.147 1 1 2071 . 7 1 1 A 216 216 LEU C C 429 178.848 177.652 1.196 1 1 2072 . 7 1 1 A 216 216 LEU CA C 429 58.053 57.335 0.718 1 1 2073 . 7 1 1 A 216 216 LEU CB C 429 41.222 41.197 0.025 1 1 2076 . 7 1 1 A 216 216 LEU N N 429 121.357 118.911 2.446 1 1 2077 . 7 1 1 A 217 217 ARG H H 430 7.972 8.369 -0.397 1 1 2078 . 7 1 1 A 217 217 ARG HA H 430 3.850 4.035 -0.185 1 1 2085 . 7 1 1 A 217 217 ARG C C 430 178.237 176.154 2.083 1 1 2086 . 7 1 1 A 217 217 ARG CA C 430 59.472 57.524 1.948 1 1 2087 . 7 1 1 A 217 217 ARG CB C 430 30.256 29.721 0.535 1 1 2090 . 7 1 1 A 217 217 ARG N N 430 116.018 119.882 -3.864 1 1 2091 . 7 1 1 A 218 218 GLU H H 431 7.583 7.406 0.177 1 1 2092 . 7 1 1 A 218 218 GLU HA H 431 4.119 4.470 -0.351 1 1 2096 . 7 1 1 A 218 218 GLU C C 431 178.377 176.162 2.215 1 1 2097 . 7 1 1 A 218 218 GLU CA C 431 58.207 55.253 2.954 1 1 2098 . 7 1 1 A 218 218 GLU CB C 431 30.548 29.674 0.874 1 1 2100 . 7 1 1 A 218 218 GLU N N 431 113.645 117.548 -3.903 1 1 2101 . 7 1 1 A 219 219 ARG H H 432 8.621 8.809 -0.188 1 1 2102 . 7 1 1 A 219 219 ARG HA H 432 4.180 4.043 0.137 1 1 2103 . 7 1 1 A 219 219 ARG C C 432 178.455 176.380 2.075 1 1 2104 . 7 1 1 A 219 219 ARG CA C 432 58.428 56.915 1.513 1 1 2105 . 7 1 1 A 219 219 ARG CB C 432 30.936 28.700 2.236 1 1 2107 . 7 1 1 A 219 219 ARG N N 432 114.272 117.643 -3.371 1 1 2108 . 7 1 1 A 220 220 CYS H H 433 8.828 7.677 1.151 1 1 2109 . 7 1 1 A 220 220 CYS HA H 433 4.464 4.157 0.307 1 1 2112 . 7 1 1 A 220 220 CYS C C 433 176.708 175.226 1.482 1 1 2113 . 7 1 1 A 220 220 CYS CA C 433 66.312 63.662 2.650 1 1 2114 . 7 1 1 A 220 220 CYS CB C 433 47.095 25.740 21.355 1 1 2115 . 7 1 1 A 220 220 CYS N N 433 120.012 120.239 -0.227 1 1 2116 . 7 1 1 A 221 221 PRO HA H 434 4.463 4.662 -0.199 1 1 2123 . 7 1 1 A 221 221 PRO C C 434 177.064 176.760 0.304 1 1 2124 . 7 1 1 A 221 221 PRO CA C 434 65.717 62.529 3.188 1 1 2125 . 7 1 1 A 221 221 PRO CB C 434 31.169 30.791 0.378 1 1 2128 . 7 1 1 A 222 222 ARG H H 435 6.904 8.681 -1.777 1 1 2129 . 7 1 1 A 222 222 ARG HA H 435 4.331 4.635 -0.304 1 1 2136 . 7 1 1 A 222 222 ARG C C 435 176.536 176.342 0.194 1 1 2137 . 7 1 1 A 222 222 ARG CA C 435 55.901 56.186 -0.285 1 1 2138 . 7 1 1 A 222 222 ARG CB C 435 30.116 33.254 -3.138 1 1 2141 . 7 1 1 A 222 222 ARG N N 435 112.486 121.550 -9.064 1 1 2142 . 7 1 1 A 223 223 GLY H H 436 8.160 7.779 0.381 1 1 2143 . 7 1 1 A 223 223 GLY HA2 H 436 4.237 4.065 0.172 1 1 2144 . 7 1 1 A 223 223 GLY HA3 H 436 3.643 4.093 -0.450 1 1 2145 . 7 1 1 A 223 223 GLY C C 436 173.338 174.330 -0.992 1 1 2146 . 7 1 1 A 223 223 GLY CA C 436 43.988 45.496 -1.508 1 1 2147 . 7 1 1 A 223 223 GLY N N 436 105.931 106.562 -0.631 1 1 2148 . 7 1 1 A 224 224 ASP H H 437 6.891 8.002 -1.111 1 1 2149 . 7 1 1 A 224 224 ASP HA H 437 4.500 4.923 -0.423 1 1 2151 . 7 1 1 A 224 224 ASP C C 437 173.806 175.298 -1.492 1 1 2152 . 7 1 1 A 224 224 ASP CA C 437 54.576 53.838 0.738 1 1 2153 . 7 1 1 A 224 224 ASP CB C 437 40.588 42.779 -2.191 1 1 2154 . 7 1 1 A 224 224 ASP N N 437 119.342 121.022 -1.680 1 1 2155 . 7 1 1 A 225 225 ASP H H 438 8.054 8.488 -0.434 1 1 2156 . 7 1 1 A 225 225 ASP HA H 438 4.912 4.975 -0.063 1 1 2159 . 7 1 1 A 225 225 ASP C C 438 175.631 176.934 -1.303 1 1 2160 . 7 1 1 A 225 225 ASP CA C 438 52.579 52.639 -0.060 1 1 2161 . 7 1 1 A 225 225 ASP CB C 438 42.616 42.238 0.378 1 1 2162 . 7 1 1 A 225 225 ASP N N 438 117.877 119.315 -1.438 1 1 2163 . 7 1 1 A 226 226 ILE H H 439 9.101 8.697 0.404 1 1 2164 . 7 1 1 A 226 226 ILE HA H 439 3.621 3.729 -0.108 1 1 2174 . 7 1 1 A 226 226 ILE C C 439 176.146 177.309 -1.163 1 1 2175 . 7 1 1 A 226 226 ILE CA C 439 62.602 65.213 -2.611 1 1 2176 . 7 1 1 A 226 226 ILE CB C 439 36.530 37.402 -0.872 1 1 2180 . 7 1 1 A 226 226 ILE N N 439 118.352 121.648 -3.296 1 1 2181 . 7 1 1 A 227 227 LEU H H 440 7.814 8.015 -0.201 1 1 2182 . 7 1 1 A 227 227 LEU HA H 440 3.918 3.868 0.050 1 1 2192 . 7 1 1 A 227 227 LEU C C 440 179.397 178.950 0.447 1 1 2193 . 7 1 1 A 227 227 LEU CA C 440 58.566 57.916 0.650 1 1 2194 . 7 1 1 A 227 227 LEU CB C 440 40.819 42.219 -1.400 1 1 2198 . 7 1 1 A 227 227 LEU N N 440 119.906 119.660 0.246 1 1 2199 . 7 1 1 A 228 228 THR H H 441 7.665 8.484 -0.819 1 1 2200 . 7 1 1 A 228 228 THR HA H 441 4.289 3.793 0.496 1 1 2205 . 7 1 1 A 228 228 THR C C 441 179.489 176.480 3.009 1 1 2206 . 7 1 1 A 228 228 THR CA C 441 61.837 66.761 -4.924 1 1 2207 . 7 1 1 A 228 228 THR CB C 441 69.979 67.843 2.136 1 1 2209 . 7 1 1 A 228 228 THR N N 441 120.011 112.996 7.015 1 1 2210 . 7 1 1 A 229 229 ILE H H 442 7.807 8.172 -0.365 1 1 2211 . 7 1 1 A 229 229 ILE HA H 442 3.300 3.608 -0.308 1 1 2221 . 7 1 1 A 229 229 ILE C C 442 177.728 176.194 1.534 1 1 2222 . 7 1 1 A 229 229 ILE CA C 442 66.069 65.149 0.920 1 1 2223 . 7 1 1 A 229 229 ILE CB C 442 38.260 37.626 0.634 1 1 2227 . 7 1 1 A 229 229 ILE N N 442 119.411 121.614 -2.203 1 1 2228 . 7 1 1 A 230 230 LEU H H 443 8.530 7.691 0.839 1 1 2229 . 7 1 1 A 230 230 LEU HA H 443 3.958 3.978 -0.020 1 1 2239 . 7 1 1 A 230 230 LEU C C 443 178.689 176.524 2.165 1 1 2240 . 7 1 1 A 230 230 LEU CA C 443 57.697 56.102 1.595 1 1 2241 . 7 1 1 A 230 230 LEU CB C 443 42.191 40.197 1.994 1 1 2245 . 7 1 1 A 230 230 LEU N N 443 116.186 120.733 -4.547 1 1 2246 . 7 1 1 A 231 231 THR H H 444 8.008 8.007 0.001 1 1 2247 . 7 1 1 A 231 231 THR HA H 444 4.153 3.961 0.192 1 1 2252 . 7 1 1 A 231 231 THR C C 444 175.208 173.646 1.562 1 1 2253 . 7 1 1 A 231 231 THR CA C 444 65.327 63.036 2.291 1 1 2254 . 7 1 1 A 231 231 THR CB C 444 69.718 67.537 2.181 1 1 2256 . 7 1 1 A 231 231 THR N N 444 112.075 112.647 -0.572 1 1 2257 . 7 1 1 A 232 232 GLU H H 445 7.717 8.545 -0.828 1 1 2258 . 7 1 1 A 232 232 GLU HA H 445 4.186 4.016 0.170 1 1 2259 . 7 1 1 A 232 232 GLU C C 445 177.156 175.469 1.687 1 1 2260 . 7 1 1 A 232 232 GLU CA C 445 57.891 57.329 0.562 1 1 2261 . 7 1 1 A 232 232 GLU CB C 445 28.836 27.396 1.440 1 1 2263 . 7 1 1 A 232 232 GLU N N 445 120.074 118.515 1.559 1 1 2294 . 7 1 1 A 252 252 GLN H H 465 8.586 8.508 0.078 1 1 2295 . 7 1 1 A 252 252 GLN HA H 465 4.689 4.338 0.351 1 1 2296 . 7 1 1 A 252 252 GLN C C 465 174.446 175.233 -0.787 1 1 2297 . 7 1 1 A 252 252 GLN CA C 465 53.682 55.051 -1.369 1 1 2298 . 7 1 1 A 252 252 GLN CB C 465 28.537 28.616 -0.079 1 1 2300 . 7 1 1 A 252 252 GLN N N 465 121.782 118.717 3.065 1 1 2301 . 7 1 1 A 253 253 PRO HA H 466 4.902 4.240 0.662 1 1 2302 . 7 1 1 A 253 253 PRO C C 466 174.937 176.644 -1.707 1 1 2303 . 7 1 1 A 253 253 PRO CA C 466 63.075 62.737 0.338 1 1 2304 . 7 1 1 A 253 253 PRO CB C 466 32.384 31.298 1.086 1 1 2307 . 7 1 1 A 254 254 THR H H 467 8.556 8.211 0.345 1 1 2308 . 7 1 1 A 254 254 THR HA H 467 4.659 4.174 0.485 1 1 2313 . 7 1 1 A 254 254 THR C C 467 172.995 174.718 -1.723 1 1 2314 . 7 1 1 A 254 254 THR CA C 467 61.740 62.256 -0.516 1 1 2315 . 7 1 1 A 254 254 THR CB C 467 70.195 68.883 1.312 1 1 2317 . 7 1 1 A 254 254 THR N N 467 115.754 113.145 2.609 1 1 2318 . 7 1 1 A 255 255 PHE H H 468 8.560 7.291 1.269 1 1 2319 . 7 1 1 A 255 255 PHE HA H 468 5.502 4.857 0.645 1 1 2322 . 7 1 1 A 255 255 PHE C C 468 173.198 175.444 -2.246 1 1 2323 . 7 1 1 A 255 255 PHE CA C 468 56.283 55.333 0.950 1 1 2324 . 7 1 1 A 255 255 PHE CB C 468 43.426 40.696 2.730 1 1 2325 . 7 1 1 A 255 255 PHE N N 468 120.481 119.161 1.320 1 1 2326 . 7 1 1 A 256 256 THR H H 469 9.702 8.607 1.095 1 1 2327 . 7 1 1 A 256 256 THR HA H 469 4.662 4.611 0.051 1 1 2332 . 7 1 1 A 256 256 THR C C 469 176.561 174.419 2.142 1 1 2333 . 7 1 1 A 256 256 THR CA C 469 59.948 61.298 -1.350 1 1 2334 . 7 1 1 A 256 256 THR CB C 469 69.145 69.785 -0.640 1 1 2336 . 7 1 1 A 256 256 THR N N 469 108.601 112.795 -4.194 1 1 2337 . 7 1 1 A 257 257 LEU H H 470 7.235 7.680 -0.445 1 1 2338 . 7 1 1 A 257 257 LEU HA H 470 4.401 4.243 0.158 1 1 2348 . 7 1 1 A 257 257 LEU C C 470 175.975 176.788 -0.813 1 1 2349 . 7 1 1 A 257 257 LEU CA C 470 55.492 54.813 0.679 1 1 2350 . 7 1 1 A 257 257 LEU CB C 470 41.850 41.997 -0.147 1 1 2354 . 7 1 1 A 257 257 LEU N N 470 120.802 125.121 -4.319 1 1 2355 . 7 1 1 A 258 258 ARG H H 471 8.228 8.824 -0.596 1 1 2356 . 7 1 1 A 258 258 ARG HA H 471 4.631 4.434 0.197 1 1 2363 . 7 1 1 A 258 258 ARG C C 471 174.114 176.188 -2.074 1 1 2364 . 7 1 1 A 258 258 ARG CA C 471 55.071 56.714 -1.643 1 1 2365 . 7 1 1 A 258 258 ARG CB C 471 32.470 30.598 1.872 1 1 2368 . 7 1 1 A 258 258 ARG N N 471 118.883 124.398 -5.515 1 1 2369 . 7 1 1 A 259 259 LYS H H 472 7.217 7.743 -0.526 1 1 2370 . 7 1 1 A 259 259 LYS HA H 472 4.260 4.713 -0.453 1 1 2379 . 7 1 1 A 259 259 LYS C C 472 174.571 174.812 -0.241 1 1 2380 . 7 1 1 A 259 259 LYS CA C 472 53.269 54.451 -1.182 1 1 2381 . 7 1 1 A 259 259 LYS CB C 472 36.332 34.917 1.415 1 1 2385 . 7 1 1 A 259 259 LYS N N 472 116.031 118.681 -2.650 1 1 2386 . 7 1 1 A 260 260 LYS H H 473 8.357 8.723 -0.366 1 1 2387 . 7 1 1 A 260 260 LYS HA H 473 4.297 4.790 -0.493 1 1 2396 . 7 1 1 A 260 260 LYS C C 473 174.137 174.785 -0.648 1 1 2397 . 7 1 1 A 260 260 LYS CA C 473 57.258 54.612 2.646 1 1 2398 . 7 1 1 A 260 260 LYS CB C 473 33.561 33.971 -0.410 1 1 2402 . 7 1 1 A 260 260 LYS N N 473 119.377 122.661 -3.284 1 1 2403 . 7 1 1 A 261 261 LEU H H 474 9.288 8.870 0.418 1 1 2404 . 7 1 1 A 261 261 LEU HA H 474 5.048 4.946 0.102 1 1 2414 . 7 1 1 A 261 261 LEU C C 474 172.558 175.305 -2.747 1 1 2415 . 7 1 1 A 261 261 LEU CA C 474 53.327 53.760 -0.433 1 1 2416 . 7 1 1 A 261 261 LEU CB C 474 44.313 43.489 0.824 1 1 2420 . 7 1 1 A 261 261 LEU N N 474 126.482 129.170 -2.688 1 1 2421 . 7 1 1 A 262 262 VAL H H 475 8.876 9.014 -0.138 1 1 2422 . 7 1 1 A 262 262 VAL HA H 475 4.238 5.006 -0.768 1 1 2430 . 7 1 1 A 262 262 VAL C C 475 174.243 175.111 -0.868 1 1 2431 . 7 1 1 A 262 262 VAL CA C 475 59.734 60.990 -1.256 1 1 2432 . 7 1 1 A 262 262 VAL CB C 475 34.790 34.468 0.322 1 1 2435 . 7 1 1 A 262 262 VAL N N 475 124.316 126.620 -2.304 1 1 2436 . 7 1 1 A 263 263 PHE H H 476 8.826 8.864 -0.038 1 1 2437 . 7 1 1 A 263 263 PHE HA H 476 5.518 5.641 -0.123 1 1 2443 . 7 1 1 A 263 263 PHE C C 476 171.887 173.477 -1.590 1 1 2444 . 7 1 1 A 263 263 PHE CA C 476 52.082 54.517 -2.435 1 1 2445 . 7 1 1 A 263 263 PHE CB C 476 39.792 39.631 0.161 1 1 2449 . 7 1 1 A 263 263 PHE N N 476 122.867 124.744 -1.877 1 1 2450 . 7 1 1 A 264 264 PRO HA H 477 4.649 4.827 -0.178 1 1 2457 . 7 1 1 A 264 264 PRO C C 477 178.322 177.077 1.245 1 1 2458 . 7 1 1 A 264 264 PRO CA C 477 62.333 62.749 -0.416 1 1 2459 . 7 1 1 A 264 264 PRO CB C 477 32.553 33.464 -0.911 1 1 2462 . 7 1 1 A 265 265 SER H H 478 8.763 8.731 0.032 1 1 2463 . 7 1 1 A 265 265 SER HA H 478 4.494 4.140 0.354 1 1 2466 . 7 1 1 A 265 265 SER C C 478 173.725 174.929 -1.204 1 1 2467 . 7 1 1 A 265 265 SER CA C 478 59.060 60.621 -1.561 1 1 2468 . 7 1 1 A 265 265 SER CB C 478 64.038 63.133 0.905 1 1 2469 . 7 1 1 A 265 265 SER N N 478 116.725 114.667 2.058 1 1 17 . 8 1 1 A 12 12 VAL H H 225 7.819 8.462 -0.643 1 1 18 . 8 1 1 A 12 12 VAL HA H 225 4.946 3.900 1.046 1 1 26 . 8 1 1 A 12 12 VAL C C 225 175.898 176.316 -0.418 1 1 27 . 8 1 1 A 12 12 VAL CA C 225 59.650 62.689 -3.039 1 1 28 . 8 1 1 A 12 12 VAL CB C 225 35.296 31.880 3.416 1 1 31 . 8 1 1 A 12 12 VAL N N 225 117.637 124.138 -6.501 1 1 32 . 8 1 1 A 13 13 TYR H H 226 8.318 8.392 -0.074 1 1 33 . 8 1 1 A 13 13 TYR HA H 226 4.291 4.105 0.186 1 1 36 . 8 1 1 A 13 13 TYR C C 226 176.911 175.498 1.413 1 1 37 . 8 1 1 A 13 13 TYR CA C 226 60.063 59.094 0.969 1 1 38 . 8 1 1 A 13 13 TYR CB C 226 37.843 35.577 2.266 1 1 39 . 8 1 1 A 13 13 TYR N N 226 122.976 121.980 0.996 1 1 40 . 8 1 1 A 14 14 GLN H H 227 9.128 7.490 1.638 1 1 41 . 8 1 1 A 14 14 GLN HA H 227 3.996 4.240 -0.244 1 1 46 . 8 1 1 A 14 14 GLN C C 227 175.052 178.541 -3.489 1 1 47 . 8 1 1 A 14 14 GLN CA C 227 57.421 58.184 -0.763 1 1 48 . 8 1 1 A 14 14 GLN CB C 227 29.550 28.641 0.909 1 1 50 . 8 1 1 A 14 14 GLN N N 227 124.676 118.061 6.615 1 1 51 . 8 1 1 A 15 15 MET H H 228 8.465 8.238 0.227 1 1 52 . 8 1 1 A 15 15 MET HA H 228 5.210 4.303 0.907 1 1 60 . 8 1 1 A 15 15 MET C C 228 172.979 177.861 -4.882 1 1 61 . 8 1 1 A 15 15 MET CA C 228 52.955 57.596 -4.641 1 1 62 . 8 1 1 A 15 15 MET CB C 228 30.751 31.278 -0.527 1 1 65 . 8 1 1 A 15 15 MET N N 228 128.835 118.300 10.535 1 1 66 . 8 1 1 A 16 16 LYS H H 229 9.119 8.491 0.628 1 1 67 . 8 1 1 A 16 16 LYS HA H 229 4.558 4.195 0.363 1 1 76 . 8 1 1 A 16 16 LYS C C 229 176.209 178.258 -2.049 1 1 77 . 8 1 1 A 16 16 LYS CA C 229 55.916 58.642 -2.726 1 1 78 . 8 1 1 A 16 16 LYS CB C 229 35.555 31.819 3.736 1 1 82 . 8 1 1 A 16 16 LYS N N 229 120.235 119.189 1.046 1 1 83 . 8 1 1 A 17 17 SER H H 230 9.101 7.869 1.232 1 1 84 . 8 1 1 A 17 17 SER HA H 230 4.077 4.488 -0.411 1 1 87 . 8 1 1 A 17 17 SER C C 230 172.995 174.184 -1.189 1 1 88 . 8 1 1 A 17 17 SER CA C 230 59.615 60.024 -0.409 1 1 89 . 8 1 1 A 17 17 SER CB C 230 64.482 64.585 -0.103 1 1 90 . 8 1 1 A 17 17 SER N N 230 121.500 114.487 7.013 1 1 91 . 8 1 1 A 18 18 LYS H H 231 8.120 7.535 0.585 1 1 92 . 8 1 1 A 18 18 LYS HA H 231 4.373 4.844 -0.471 1 1 101 . 8 1 1 A 18 18 LYS C C 231 173.565 175.510 -1.945 1 1 102 . 8 1 1 A 18 18 LYS CA C 231 53.231 54.685 -1.454 1 1 103 . 8 1 1 A 18 18 LYS CB C 231 34.596 34.553 0.043 1 1 107 . 8 1 1 A 18 18 LYS N N 231 120.561 114.353 6.208 1 1 108 . 8 1 1 A 19 19 PRO HA H 232 4.898 4.402 0.496 1 1 115 . 8 1 1 A 19 19 PRO C C 232 176.162 177.326 -1.164 1 1 116 . 8 1 1 A 19 19 PRO CA C 232 62.838 66.133 -3.295 1 1 117 . 8 1 1 A 19 19 PRO CB C 232 34.997 31.622 3.375 1 1 120 . 8 1 1 A 20 20 ARG H H 233 8.782 8.002 0.780 1 1 121 . 8 1 1 A 20 20 ARG HA H 233 3.651 3.857 -0.206 1 1 122 . 8 1 1 A 20 20 ARG C C 233 175.210 175.430 -0.220 1 1 123 . 8 1 1 A 20 20 ARG CA C 233 56.621 57.093 -0.472 1 1 124 . 8 1 1 A 20 20 ARG CB C 233 30.581 27.281 3.300 1 1 127 . 8 1 1 A 20 20 ARG N N 233 118.785 116.819 1.966 1 1 128 . 8 1 1 A 21 21 GLY H H 234 6.490 8.000 -1.510 1 1 129 . 8 1 1 A 21 21 GLY HA2 H 234 4.312 4.014 0.298 1 1 130 . 8 1 1 A 21 21 GLY HA3 H 234 4.662 4.126 0.536 1 1 131 . 8 1 1 A 21 21 GLY C C 234 172.012 172.883 -0.871 1 1 132 . 8 1 1 A 21 21 GLY CA C 234 43.743 45.512 -1.769 1 1 133 . 8 1 1 A 21 21 GLY N N 234 128.529 106.332 22.197 1 1 134 . 8 1 1 A 22 22 TYR H H 235 9.327 8.015 1.312 1 1 135 . 8 1 1 A 22 22 TYR HA H 235 5.260 4.824 0.436 1 1 140 . 8 1 1 A 22 22 TYR C C 235 173.931 175.553 -1.622 1 1 141 . 8 1 1 A 22 22 TYR CA C 235 58.287 58.308 -0.021 1 1 142 . 8 1 1 A 22 22 TYR CB C 235 39.762 39.784 -0.022 1 1 145 . 8 1 1 A 22 22 TYR N N 235 119.429 124.597 -5.168 1 1 146 . 8 1 1 A 23 23 CYS H H 236 8.665 8.404 0.261 1 1 147 . 8 1 1 A 23 23 CYS HA H 236 4.928 4.731 0.197 1 1 148 . 8 1 1 A 23 23 CYS C C 236 172.970 172.878 0.092 1 1 149 . 8 1 1 A 23 23 CYS CA C 236 55.636 57.566 -1.930 1 1 150 . 8 1 1 A 23 23 CYS CB C 236 50.040 32.960 17.080 1 1 151 . 8 1 1 A 23 23 CYS N N 236 120.485 118.949 1.536 1 1 152 . 8 1 1 A 24 24 LEU H H 237 8.619 8.683 -0.064 1 1 153 . 8 1 1 A 24 24 LEU HA H 237 4.691 5.251 -0.560 1 1 163 . 8 1 1 A 24 24 LEU C C 237 175.850 176.201 -0.351 1 1 164 . 8 1 1 A 24 24 LEU CA C 237 54.053 53.367 0.686 1 1 165 . 8 1 1 A 24 24 LEU CB C 237 44.117 44.542 -0.425 1 1 169 . 8 1 1 A 24 24 LEU N N 237 129.465 121.813 7.652 1 1 170 . 8 1 1 A 25 25 ILE H H 238 8.304 8.769 -0.465 1 1 171 . 8 1 1 A 25 25 ILE HA H 238 4.639 4.885 -0.246 1 1 179 . 8 1 1 A 25 25 ILE C C 238 174.032 175.187 -1.155 1 1 180 . 8 1 1 A 25 25 ILE CA C 238 60.879 60.779 0.100 1 1 181 . 8 1 1 A 25 25 ILE CB C 238 41.165 40.934 0.231 1 1 185 . 8 1 1 A 25 25 ILE N N 238 122.597 122.627 -0.030 1 1 186 . 8 1 1 A 26 26 ILE H H 239 9.025 9.211 -0.186 1 1 187 . 8 1 1 A 26 26 ILE HA H 239 4.778 4.523 0.255 1 1 197 . 8 1 1 A 26 26 ILE C C 239 173.104 175.747 -2.643 1 1 198 . 8 1 1 A 26 26 ILE CA C 239 60.733 60.866 -0.133 1 1 199 . 8 1 1 A 26 26 ILE CB C 239 38.237 38.273 -0.036 1 1 203 . 8 1 1 A 26 26 ILE N N 239 129.303 128.769 0.534 1 1 204 . 8 1 1 A 27 27 ASN H H 240 8.957 8.781 0.176 1 1 205 . 8 1 1 A 27 27 ASN HA H 240 5.174 5.328 -0.154 1 1 208 . 8 1 1 A 27 27 ASN C C 240 172.948 173.233 -0.285 1 1 209 . 8 1 1 A 27 27 ASN CA C 240 52.055 52.305 -0.250 1 1 210 . 8 1 1 A 27 27 ASN CB C 240 40.530 42.017 -1.487 1 1 211 . 8 1 1 A 27 27 ASN N N 240 125.494 123.645 1.849 1 1 212 . 8 1 1 A 28 28 ASN H H 241 9.118 8.776 0.342 1 1 213 . 8 1 1 A 28 28 ASN HA H 241 5.106 5.308 -0.202 1 1 216 . 8 1 1 A 28 28 ASN C C 241 172.184 175.073 -2.889 1 1 217 . 8 1 1 A 28 28 ASN CA C 241 52.599 51.867 0.732 1 1 218 . 8 1 1 A 28 28 ASN CB C 241 38.296 42.293 -3.997 1 1 219 . 8 1 1 A 28 28 ASN N N 241 125.089 122.990 2.099 1 1 220 . 8 1 1 A 29 29 HIS H H 242 9.512 8.511 1.001 1 1 221 . 8 1 1 A 29 29 HIS HA H 242 4.384 4.339 0.045 1 1 224 . 8 1 1 A 29 29 HIS C C 242 173.519 174.242 -0.723 1 1 225 . 8 1 1 A 29 29 HIS CA C 242 59.174 57.739 1.435 1 1 226 . 8 1 1 A 29 29 HIS CB C 242 28.022 31.001 -2.979 1 1 227 . 8 1 1 A 29 29 HIS N N 242 125.634 123.612 2.022 1 1 228 . 8 1 1 A 30 30 ASN H H 243 8.623 7.555 1.068 1 1 229 . 8 1 1 A 30 30 ASN HA H 243 4.148 4.884 -0.736 1 1 234 . 8 1 1 A 30 30 ASN C C 243 175.052 174.518 0.534 1 1 235 . 8 1 1 A 30 30 ASN CA C 243 53.229 51.757 1.472 1 1 236 . 8 1 1 A 30 30 ASN CB C 243 38.980 41.489 -2.509 1 1 237 . 8 1 1 A 30 30 ASN N N 243 119.059 114.324 4.735 1 1 239 . 8 1 1 A 31 31 PHE H H 244 8.676 8.699 -0.023 1 1 240 . 8 1 1 A 31 31 PHE HA H 244 4.686 4.826 -0.140 1 1 243 . 8 1 1 A 31 31 PHE C C 244 174.399 176.541 -2.142 1 1 244 . 8 1 1 A 31 31 PHE CA C 244 57.688 57.536 0.152 1 1 245 . 8 1 1 A 31 31 PHE CB C 244 39.026 38.632 0.394 1 1 246 . 8 1 1 A 31 31 PHE N N 244 124.091 122.303 1.788 1 1 247 . 8 1 1 A 32 32 ALA H H 245 8.244 7.835 0.409 1 1 248 . 8 1 1 A 32 32 ALA HA H 245 3.869 3.995 -0.126 1 1 252 . 8 1 1 A 32 32 ALA C C 245 180.452 179.323 1.129 1 1 253 . 8 1 1 A 32 32 ALA CA C 245 56.274 55.468 0.806 1 1 254 . 8 1 1 A 32 32 ALA CB C 245 18.181 18.530 -0.349 1 1 255 . 8 1 1 A 32 32 ALA N N 245 122.713 124.049 -1.336 1 1 256 . 8 1 1 A 33 33 LYS H H 246 8.964 7.996 0.968 1 1 257 . 8 1 1 A 33 33 LYS HA H 246 4.089 4.116 -0.027 1 1 266 . 8 1 1 A 33 33 LYS C C 246 177.441 178.769 -1.328 1 1 267 . 8 1 1 A 33 33 LYS CA C 246 58.632 58.824 -0.192 1 1 268 . 8 1 1 A 33 33 LYS CB C 246 30.418 31.871 -1.453 1 1 272 . 8 1 1 A 33 33 LYS N N 246 116.888 117.418 -0.530 1 1 273 . 8 1 1 A 34 34 ALA H H 247 7.088 8.155 -1.067 1 1 274 . 8 1 1 A 34 34 ALA HA H 247 3.752 4.402 -0.650 1 1 278 . 8 1 1 A 34 34 ALA C C 247 177.581 179.995 -2.414 1 1 279 . 8 1 1 A 34 34 ALA CA C 247 55.502 54.758 0.744 1 1 280 . 8 1 1 A 34 34 ALA CB C 247 18.099 18.777 -0.678 1 1 281 . 8 1 1 A 34 34 ALA N N 247 122.047 122.552 -0.505 1 1 282 . 8 1 1 A 35 35 ARG H H 248 7.706 8.394 -0.688 1 1 283 . 8 1 1 A 35 35 ARG HA H 248 4.338 4.224 0.114 1 1 292 . 8 1 1 A 35 35 ARG C C 248 179.094 178.633 0.461 1 1 293 . 8 1 1 A 35 35 ARG CA C 248 56.283 59.478 -3.195 1 1 294 . 8 1 1 A 35 35 ARG CB C 248 30.668 30.229 0.439 1 1 297 . 8 1 1 A 35 35 ARG N N 248 112.008 119.337 -7.329 1 1 299 . 8 1 1 A 36 36 GLU H H 249 7.707 8.020 -0.313 1 1 300 . 8 1 1 A 36 36 GLU HA H 249 4.121 4.154 -0.033 1 1 305 . 8 1 1 A 36 36 GLU C C 249 178.205 178.714 -0.509 1 1 306 . 8 1 1 A 36 36 GLU CA C 249 58.194 59.021 -0.827 1 1 307 . 8 1 1 A 36 36 GLU CB C 249 30.596 29.646 0.950 1 1 309 . 8 1 1 A 36 36 GLU N N 249 116.945 118.826 -1.881 1 1 310 . 8 1 1 A 37 37 LYS H H 250 7.954 8.107 -0.153 1 1 311 . 8 1 1 A 37 37 LYS HA H 250 4.381 4.205 0.176 1 1 320 . 8 1 1 A 37 37 LYS C C 250 176.772 176.859 -0.087 1 1 321 . 8 1 1 A 37 37 LYS CA C 250 57.323 59.005 -1.682 1 1 322 . 8 1 1 A 37 37 LYS CB C 250 34.892 32.772 2.120 1 1 326 . 8 1 1 A 37 37 LYS N N 250 114.798 119.107 -4.309 1 1 327 . 8 1 1 A 38 38 VAL H H 251 8.298 8.222 0.076 1 1 328 . 8 1 1 A 38 38 VAL HA H 251 4.582 4.631 -0.049 1 1 336 . 8 1 1 A 38 38 VAL C C 251 174.903 174.308 0.595 1 1 337 . 8 1 1 A 38 38 VAL CA C 251 60.316 58.859 1.457 1 1 338 . 8 1 1 A 38 38 VAL CB C 251 32.374 32.057 0.317 1 1 341 . 8 1 1 A 38 38 VAL N N 251 120.907 119.773 1.134 1 1 342 . 8 1 1 A 40 40 LYS H H 253 8.588 7.989 0.599 1 1 343 . 8 1 1 A 40 40 LYS HA H 253 4.275 3.893 0.382 1 1 352 . 8 1 1 A 40 40 LYS C C 253 176.447 178.388 -1.941 1 1 353 . 8 1 1 A 40 40 LYS CA C 253 58.550 59.178 -0.628 1 1 354 . 8 1 1 A 40 40 LYS CB C 253 31.568 32.071 -0.503 1 1 358 . 8 1 1 A 40 40 LYS N N 253 113.861 118.424 -4.563 1 1 359 . 8 1 1 A 41 41 LEU H H 254 7.948 7.509 0.439 1 1 360 . 8 1 1 A 41 41 LEU HA H 254 4.391 3.775 0.616 1 1 370 . 8 1 1 A 41 41 LEU C C 254 175.989 177.667 -1.678 1 1 371 . 8 1 1 A 41 41 LEU CA C 254 53.279 56.569 -3.290 1 1 372 . 8 1 1 A 41 41 LEU CB C 254 40.369 40.958 -0.589 1 1 376 . 8 1 1 A 41 41 LEU N N 254 118.998 118.872 0.126 1 1 377 . 8 1 1 A 42 42 HIS H H 255 7.167 7.288 -0.121 1 1 378 . 8 1 1 A 42 42 HIS HA H 255 4.376 4.633 -0.257 1 1 382 . 8 1 1 A 42 42 HIS C C 255 174.836 175.867 -1.031 1 1 383 . 8 1 1 A 42 42 HIS CA C 255 59.188 55.889 3.299 1 1 384 . 8 1 1 A 42 42 HIS CB C 255 30.311 30.698 -0.387 1 1 386 . 8 1 1 A 42 42 HIS N N 255 116.251 115.375 0.876 1 1 387 . 8 1 1 A 43 43 SER H H 256 7.735 7.601 0.134 1 1 388 . 8 1 1 A 43 43 SER HA H 256 4.490 4.719 -0.229 1 1 391 . 8 1 1 A 43 43 SER C C 256 174.045 174.105 -0.060 1 1 392 . 8 1 1 A 43 43 SER CA C 256 56.420 58.089 -1.669 1 1 393 . 8 1 1 A 43 43 SER CB C 256 64.093 64.529 -0.436 1 1 394 . 8 1 1 A 43 43 SER N N 256 110.725 113.379 -2.654 1 1 395 . 8 1 1 A 44 44 ILE H H 257 7.403 7.342 0.061 1 1 396 . 8 1 1 A 44 44 ILE HA H 257 3.806 4.096 -0.290 1 1 406 . 8 1 1 A 44 44 ILE C C 257 174.321 175.798 -1.477 1 1 407 . 8 1 1 A 44 44 ILE CA C 257 61.640 60.312 1.328 1 1 408 . 8 1 1 A 44 44 ILE CB C 257 38.324 39.713 -1.389 1 1 412 . 8 1 1 A 44 44 ILE N N 257 124.717 119.067 5.650 1 1 413 . 8 1 1 A 45 45 ARG H H 258 8.043 8.665 -0.622 1 1 414 . 8 1 1 A 45 45 ARG HA H 258 4.201 4.543 -0.342 1 1 421 . 8 1 1 A 45 45 ARG C C 258 177.535 177.254 0.281 1 1 422 . 8 1 1 A 45 45 ARG CA C 258 55.412 55.975 -0.563 1 1 423 . 8 1 1 A 45 45 ARG CB C 258 31.546 31.367 0.179 1 1 426 . 8 1 1 A 45 45 ARG N N 258 124.319 121.264 3.055 1 1 427 . 8 1 1 A 46 46 ASP H H 259 8.584 8.014 0.570 1 1 428 . 8 1 1 A 46 46 ASP HA H 259 5.096 4.418 0.678 1 1 431 . 8 1 1 A 46 46 ASP C C 259 177.819 176.563 1.256 1 1 432 . 8 1 1 A 46 46 ASP CA C 259 55.248 57.016 -1.768 1 1 433 . 8 1 1 A 46 46 ASP CB C 259 39.614 40.486 -0.872 1 1 434 . 8 1 1 A 46 46 ASP N N 259 120.371 119.506 0.865 1 1 435 . 8 1 1 A 47 47 ARG H H 260 8.632 8.156 0.476 1 1 442 . 8 1 1 A 47 47 ARG CA C 260 56.228 57.009 -0.781 1 1 443 . 8 1 1 A 47 47 ARG CB C 260 26.981 28.037 -1.056 1 1 445 . 8 1 1 A 47 47 ARG N N 260 123.120 118.045 5.075 1 1 447 . 8 1 1 A 51 51 HIS HA H 264 4.293 4.509 -0.216 1 1 451 . 8 1 1 A 51 51 HIS C C 264 178.002 176.742 1.260 1 1 452 . 8 1 1 A 51 51 HIS CA C 264 60.062 58.363 1.699 1 1 453 . 8 1 1 A 51 51 HIS CB C 264 29.109 29.418 -0.309 1 1 455 . 8 1 1 A 52 52 LEU H H 265 7.474 7.800 -0.326 1 1 456 . 8 1 1 A 52 52 LEU HA H 265 4.125 3.877 0.248 1 1 466 . 8 1 1 A 52 52 LEU C C 265 180.623 179.010 1.613 1 1 467 . 8 1 1 A 52 52 LEU CA C 265 56.921 57.981 -1.060 1 1 468 . 8 1 1 A 52 52 LEU CB C 265 40.572 41.335 -0.763 1 1 472 . 8 1 1 A 52 52 LEU N N 265 122.692 121.657 1.035 1 1 473 . 8 1 1 A 53 53 ASP H H 266 6.993 8.365 -1.372 1 1 474 . 8 1 1 A 53 53 ASP C C 266 176.536 178.602 -2.066 1 1 475 . 8 1 1 A 53 53 ASP CA C 266 56.718 57.382 -0.664 1 1 476 . 8 1 1 A 53 53 ASP CB C 266 39.787 40.320 -0.533 1 1 477 . 8 1 1 A 53 53 ASP N N 266 122.192 119.545 2.647 1 1 478 . 8 1 1 A 54 54 ALA H H 267 8.217 8.391 -0.174 1 1 479 . 8 1 1 A 54 54 ALA HA H 267 3.840 4.138 -0.298 1 1 483 . 8 1 1 A 54 54 ALA C C 267 180.507 180.156 0.351 1 1 484 . 8 1 1 A 54 54 ALA CA C 267 55.836 54.960 0.876 1 1 485 . 8 1 1 A 54 54 ALA CB C 267 17.386 18.404 -1.018 1 1 486 . 8 1 1 A 54 54 ALA N N 267 121.612 122.134 -0.522 1 1 487 . 8 1 1 A 55 55 GLY H H 268 8.481 8.549 -0.068 1 1 488 . 8 1 1 A 55 55 GLY C C 268 174.929 176.352 -1.423 1 1 489 . 8 1 1 A 55 55 GLY CA C 268 46.546 46.975 -0.429 1 1 490 . 8 1 1 A 55 55 GLY N N 268 107.453 105.143 2.310 1 1 491 . 8 1 1 A 56 56 ALA H H 269 7.759 8.253 -0.494 1 1 492 . 8 1 1 A 56 56 ALA HA H 269 4.190 4.053 0.137 1 1 496 . 8 1 1 A 56 56 ALA C C 269 180.493 180.158 0.335 1 1 497 . 8 1 1 A 56 56 ALA CA C 269 55.311 54.711 0.600 1 1 498 . 8 1 1 A 56 56 ALA CB C 269 17.951 18.699 -0.748 1 1 499 . 8 1 1 A 56 56 ALA N N 269 125.518 125.127 0.391 1 1 500 . 8 1 1 A 57 57 LEU H H 270 8.224 7.838 0.386 1 1 501 . 8 1 1 A 57 57 LEU HA H 270 3.840 4.124 -0.284 1 1 506 . 8 1 1 A 57 57 LEU C C 270 177.499 179.697 -2.198 1 1 507 . 8 1 1 A 57 57 LEU CA C 270 58.315 57.965 0.350 1 1 508 . 8 1 1 A 57 57 LEU CB C 270 43.182 41.828 1.354 1 1 511 . 8 1 1 A 57 57 LEU N N 270 121.610 118.633 2.977 1 1 512 . 8 1 1 A 58 58 THR H H 271 7.976 7.980 -0.004 1 1 513 . 8 1 1 A 58 58 THR HA H 271 4.432 4.139 0.293 1 1 518 . 8 1 1 A 58 58 THR C C 271 174.457 176.583 -2.126 1 1 519 . 8 1 1 A 58 58 THR CA C 271 68.788 66.728 2.060 1 1 520 . 8 1 1 A 58 58 THR CB C 271 67.557 68.771 -1.214 1 1 522 . 8 1 1 A 58 58 THR N N 271 115.528 115.994 -0.466 1 1 523 . 8 1 1 A 59 59 THR H H 272 8.085 8.915 -0.830 1 1 524 . 8 1 1 A 59 59 THR HA H 272 3.911 4.069 -0.158 1 1 529 . 8 1 1 A 59 59 THR C C 272 176.131 177.119 -0.988 1 1 530 . 8 1 1 A 59 59 THR CA C 272 65.908 65.231 0.677 1 1 531 . 8 1 1 A 59 59 THR CB C 272 69.045 68.859 0.186 1 1 533 . 8 1 1 A 59 59 THR N N 272 114.864 114.155 0.709 1 1 534 . 8 1 1 A 60 60 THR H H 273 7.875 7.658 0.217 1 1 535 . 8 1 1 A 60 60 THR HA H 273 3.423 3.849 -0.426 1 1 540 . 8 1 1 A 60 60 THR C C 273 175.166 175.745 -0.579 1 1 541 . 8 1 1 A 60 60 THR CA C 273 67.291 66.680 0.611 1 1 542 . 8 1 1 A 60 60 THR CB C 273 68.824 68.449 0.375 1 1 544 . 8 1 1 A 60 60 THR N N 273 116.718 117.083 -0.365 1 1 545 . 8 1 1 A 61 61 PHE H H 274 8.219 7.732 0.487 1 1 546 . 8 1 1 A 61 61 PHE HA H 274 4.213 4.424 -0.211 1 1 552 . 8 1 1 A 61 61 PHE C C 274 178.034 177.859 0.175 1 1 553 . 8 1 1 A 61 61 PHE CA C 274 63.308 60.105 3.203 1 1 554 . 8 1 1 A 61 61 PHE CB C 274 37.080 40.384 -3.304 1 1 558 . 8 1 1 A 61 61 PHE N N 274 114.721 117.087 -2.366 1 1 559 . 8 1 1 A 62 62 GLU H H 275 8.810 8.874 -0.064 1 1 560 . 8 1 1 A 62 62 GLU HA H 275 4.416 4.355 0.061 1 1 565 . 8 1 1 A 62 62 GLU C C 275 181.232 179.230 2.002 1 1 566 . 8 1 1 A 62 62 GLU CA C 275 60.190 60.360 -0.170 1 1 567 . 8 1 1 A 62 62 GLU CB C 275 28.990 29.412 -0.422 1 1 569 . 8 1 1 A 62 62 GLU N N 275 123.787 121.792 1.995 1 1 570 . 8 1 1 A 63 63 GLU H H 276 7.698 8.172 -0.474 1 1 571 . 8 1 1 A 63 63 GLU HA H 276 3.871 4.187 -0.316 1 1 575 . 8 1 1 A 63 63 GLU C C 276 176.721 177.545 -0.824 1 1 576 . 8 1 1 A 63 63 GLU CA C 276 58.821 58.845 -0.024 1 1 577 . 8 1 1 A 63 63 GLU CB C 276 29.251 28.398 0.853 1 1 579 . 8 1 1 A 63 63 GLU N N 276 120.707 117.048 3.659 1 1 580 . 8 1 1 A 64 64 LEU H H 277 6.708 8.045 -1.337 1 1 581 . 8 1 1 A 64 64 LEU HA H 277 4.148 4.466 -0.318 1 1 589 . 8 1 1 A 64 64 LEU C C 277 174.571 176.752 -2.181 1 1 590 . 8 1 1 A 64 64 LEU CA C 277 54.060 55.250 -1.190 1 1 594 . 8 1 1 A 64 64 LEU N N 277 115.451 119.798 -4.347 1 1 595 . 8 1 1 A 65 65 HIS H H 278 7.388 8.262 -0.874 1 1 596 . 8 1 1 A 65 65 HIS HA H 278 4.259 4.252 0.007 1 1 599 . 8 1 1 A 65 65 HIS C C 278 174.571 174.800 -0.229 1 1 600 . 8 1 1 A 65 65 HIS CA C 278 57.737 57.085 0.652 1 1 601 . 8 1 1 A 65 65 HIS CB C 278 26.020 29.200 -3.180 1 1 602 . 8 1 1 A 65 65 HIS N N 278 107.287 117.083 -9.796 1 1 603 . 8 1 1 A 66 66 PHE H H 279 8.554 8.272 0.282 1 1 604 . 8 1 1 A 66 66 PHE HA H 279 4.462 4.598 -0.136 1 1 610 . 8 1 1 A 66 66 PHE C C 279 174.258 175.069 -0.811 1 1 611 . 8 1 1 A 66 66 PHE CA C 279 58.032 55.662 2.370 1 1 612 . 8 1 1 A 66 66 PHE CB C 279 39.809 40.471 -0.662 1 1 616 . 8 1 1 A 66 66 PHE N N 279 117.992 117.706 0.286 1 1 617 . 8 1 1 A 67 67 GLU H H 280 8.403 8.480 -0.077 1 1 618 . 8 1 1 A 67 67 GLU HA H 280 4.631 4.228 0.403 1 1 621 . 8 1 1 A 67 67 GLU C C 280 174.640 174.824 -0.184 1 1 622 . 8 1 1 A 67 67 GLU CA C 280 55.467 55.637 -0.170 1 1 623 . 8 1 1 A 67 67 GLU CB C 280 30.671 29.884 0.787 1 1 625 . 8 1 1 A 67 67 GLU N N 280 120.980 120.234 0.746 1 1 626 . 8 1 1 A 68 68 ILE H H 281 8.988 8.275 0.713 1 1 627 . 8 1 1 A 68 68 ILE HA H 281 4.491 4.531 -0.040 1 1 636 . 8 1 1 A 68 68 ILE C C 281 176.177 174.756 1.421 1 1 637 . 8 1 1 A 68 68 ILE CA C 281 59.688 58.813 0.875 1 1 638 . 8 1 1 A 68 68 ILE CB C 281 35.090 41.412 -6.322 1 1 642 . 8 1 1 A 68 68 ILE N N 281 127.994 123.930 4.064 1 1 643 . 8 1 1 A 69 69 LYS H H 282 8.559 8.804 -0.245 1 1 644 . 8 1 1 A 69 69 LYS HA H 282 4.981 4.895 0.086 1 1 645 . 8 1 1 A 69 69 LYS CA C 282 50.465 53.312 -2.847 1 1 646 . 8 1 1 A 69 69 LYS CB C 282 32.762 33.324 -0.562 1 1 649 . 8 1 1 A 69 69 LYS N N 282 126.350 125.832 0.518 1 1 650 . 8 1 1 A 70 70 PRO HA H 283 5.133 4.717 0.416 1 1 651 . 8 1 1 A 70 70 PRO C C 283 176.378 175.781 0.597 1 1 652 . 8 1 1 A 70 70 PRO CA C 283 62.027 62.219 -0.192 1 1 653 . 8 1 1 A 70 70 PRO CB C 283 32.856 29.212 3.644 1 1 655 . 8 1 1 A 71 71 HIS H H 284 8.967 8.584 0.383 1 1 656 . 8 1 1 A 71 71 HIS HA H 284 4.465 4.771 -0.306 1 1 660 . 8 1 1 A 71 71 HIS C C 284 172.714 174.642 -1.928 1 1 661 . 8 1 1 A 71 71 HIS CA C 284 55.994 55.086 0.908 1 1 662 . 8 1 1 A 71 71 HIS CB C 284 33.678 28.052 5.626 1 1 664 . 8 1 1 A 71 71 HIS N N 284 121.708 122.414 -0.706 1 1 665 . 8 1 1 A 72 72 ASP H H 285 8.625 8.390 0.235 1 1 666 . 8 1 1 A 72 72 ASP HA H 285 5.695 4.539 1.156 1 1 669 . 8 1 1 A 72 72 ASP C C 285 175.881 175.995 -0.114 1 1 670 . 8 1 1 A 72 72 ASP CA C 285 53.201 54.151 -0.950 1 1 671 . 8 1 1 A 72 72 ASP CB C 285 43.758 41.459 2.299 1 1 672 . 8 1 1 A 72 72 ASP N N 285 122.941 123.415 -0.474 1 1 673 . 8 1 1 A 73 73 ASP H H 286 9.212 8.872 0.340 1 1 674 . 8 1 1 A 73 73 ASP HA H 286 4.263 4.230 0.033 1 1 676 . 8 1 1 A 73 73 ASP C C 286 174.368 174.743 -0.375 1 1 677 . 8 1 1 A 73 73 ASP CA C 286 56.488 54.887 1.601 1 1 678 . 8 1 1 A 73 73 ASP CB C 286 39.083 39.448 -0.365 1 1 679 . 8 1 1 A 73 73 ASP N N 286 119.175 119.506 -0.331 1 1 680 . 8 1 1 A 74 74 CYS H H 287 8.750 7.180 1.570 1 1 681 . 8 1 1 A 74 74 CYS HA H 287 4.854 5.112 -0.258 1 1 684 . 8 1 1 A 74 74 CYS C C 287 176.146 174.523 1.623 1 1 685 . 8 1 1 A 74 74 CYS CA C 287 58.552 58.083 0.469 1 1 686 . 8 1 1 A 74 74 CYS CB C 287 53.204 29.762 23.442 1 1 687 . 8 1 1 A 74 74 CYS N N 287 119.631 117.272 2.359 1 1 688 . 8 1 1 A 75 75 THR H H 288 8.535 8.777 -0.242 1 1 689 . 8 1 1 A 75 75 THR HA H 288 4.163 4.759 -0.596 1 1 694 . 8 1 1 A 75 75 THR C C 288 174.663 176.220 -1.557 1 1 695 . 8 1 1 A 75 75 THR CA C 288 61.353 60.738 0.615 1 1 696 . 8 1 1 A 75 75 THR CB C 288 70.100 71.865 -1.765 1 1 698 . 8 1 1 A 75 75 THR N N 288 115.998 117.836 -1.838 1 1 699 . 8 1 1 A 76 76 VAL H H 289 8.083 8.906 -0.823 1 1 700 . 8 1 1 A 76 76 VAL HA H 289 3.414 3.720 -0.306 1 1 708 . 8 1 1 A 76 76 VAL C C 289 176.443 177.683 -1.240 1 1 709 . 8 1 1 A 76 76 VAL CA C 289 69.066 67.050 2.016 1 1 710 . 8 1 1 A 76 76 VAL CB C 289 30.361 31.323 -0.962 1 1 713 . 8 1 1 A 76 76 VAL N N 289 120.599 122.427 -1.828 1 1 714 . 8 1 1 A 77 77 GLU H H 290 9.095 8.436 0.659 1 1 715 . 8 1 1 A 77 77 GLU HA H 290 4.027 3.841 0.186 1 1 720 . 8 1 1 A 77 77 GLU C C 290 179.172 177.880 1.292 1 1 721 . 8 1 1 A 77 77 GLU CA C 290 59.831 59.104 0.727 1 1 722 . 8 1 1 A 77 77 GLU CB C 290 29.493 29.456 0.037 1 1 724 . 8 1 1 A 77 77 GLU N N 290 119.191 120.164 -0.973 1 1 725 . 8 1 1 A 78 78 GLN H H 291 7.523 8.091 -0.568 1 1 726 . 8 1 1 A 78 78 GLN HA H 291 4.079 4.337 -0.258 1 1 731 . 8 1 1 A 78 78 GLN C C 291 177.815 177.968 -0.153 1 1 732 . 8 1 1 A 78 78 GLN CA C 291 58.920 57.192 1.728 1 1 734 . 8 1 1 A 78 78 GLN N N 291 117.101 117.342 -0.241 1 1 735 . 8 1 1 A 79 79 ILE H H 292 8.368 8.100 0.268 1 1 736 . 8 1 1 A 79 79 ILE HA H 292 3.427 3.697 -0.270 1 1 746 . 8 1 1 A 79 79 ILE C C 292 177.133 177.918 -0.785 1 1 747 . 8 1 1 A 79 79 ILE CA C 292 67.132 65.563 1.569 1 1 748 . 8 1 1 A 79 79 ILE CB C 292 37.163 37.782 -0.619 1 1 752 . 8 1 1 A 79 79 ILE N N 292 120.006 120.914 -0.908 1 1 753 . 8 1 1 A 80 80 TYR H H 293 8.302 8.195 0.107 1 1 754 . 8 1 1 A 80 80 TYR HA H 293 4.179 4.219 -0.040 1 1 759 . 8 1 1 A 80 80 TYR C C 293 178.907 178.351 0.556 1 1 760 . 8 1 1 A 80 80 TYR CA C 293 61.737 60.646 1.091 1 1 761 . 8 1 1 A 80 80 TYR CB C 293 37.201 37.881 -0.680 1 1 764 . 8 1 1 A 80 80 TYR N N 293 116.291 120.160 -3.869 1 1 765 . 8 1 1 A 81 81 GLU H H 294 8.170 8.556 -0.386 1 1 766 . 8 1 1 A 81 81 GLU HA H 294 4.036 4.142 -0.106 1 1 771 . 8 1 1 A 81 81 GLU C C 294 178.414 177.412 1.002 1 1 772 . 8 1 1 A 81 81 GLU CA C 294 59.768 58.896 0.872 1 1 773 . 8 1 1 A 81 81 GLU CB C 294 29.489 29.318 0.171 1 1 775 . 8 1 1 A 81 81 GLU N N 294 120.325 119.997 0.328 1 1 776 . 8 1 1 A 82 82 ILE H H 295 8.501 7.532 0.969 1 1 777 . 8 1 1 A 82 82 ILE HA H 295 3.675 3.845 -0.170 1 1 787 . 8 1 1 A 82 82 ILE C C 295 177.751 178.011 -0.260 1 1 788 . 8 1 1 A 82 82 ILE CA C 295 65.288 63.599 1.689 1 1 789 . 8 1 1 A 82 82 ILE CB C 295 38.497 37.147 1.350 1 1 793 . 8 1 1 A 82 82 ILE N N 295 120.434 118.972 1.462 1 1 794 . 8 1 1 A 83 83 LEU H H 296 8.508 7.534 0.974 1 1 795 . 8 1 1 A 83 83 LEU HA H 296 4.289 3.455 0.834 1 1 805 . 8 1 1 A 83 83 LEU C C 296 178.393 179.322 -0.929 1 1 806 . 8 1 1 A 83 83 LEU CA C 296 58.937 56.965 1.972 1 1 807 . 8 1 1 A 83 83 LEU CB C 296 39.626 40.879 -1.253 1 1 811 . 8 1 1 A 83 83 LEU N N 296 116.807 121.038 -4.231 1 1 812 . 8 1 1 A 84 84 LYS H H 297 8.048 8.062 -0.014 1 1 813 . 8 1 1 A 84 84 LYS HA H 297 3.967 3.966 0.001 1 1 820 . 8 1 1 A 84 84 LYS C C 297 177.773 178.771 -0.998 1 1 821 . 8 1 1 A 84 84 LYS CA C 297 58.890 58.851 0.039 1 1 822 . 8 1 1 A 84 84 LYS CB C 297 31.169 31.864 -0.695 1 1 826 . 8 1 1 A 84 84 LYS N N 297 118.687 118.250 0.437 1 1 827 . 8 1 1 A 85 85 ILE H H 298 7.694 7.772 -0.078 1 1 828 . 8 1 1 A 85 85 ILE HA H 298 3.456 3.666 -0.210 1 1 838 . 8 1 1 A 85 85 ILE C C 298 179.100 177.851 1.249 1 1 839 . 8 1 1 A 85 85 ILE CA C 298 65.307 64.964 0.343 1 1 840 . 8 1 1 A 85 85 ILE CB C 298 36.965 37.256 -0.291 1 1 844 . 8 1 1 A 85 85 ILE N N 298 118.157 120.614 -2.457 1 1 845 . 8 1 1 A 86 86 TYR H H 299 7.613 7.299 0.314 1 1 846 . 8 1 1 A 86 86 TYR HA H 299 4.103 4.477 -0.374 1 1 851 . 8 1 1 A 86 86 TYR C C 299 177.425 178.276 -0.851 1 1 852 . 8 1 1 A 86 86 TYR CA C 299 63.129 60.685 2.444 1 1 853 . 8 1 1 A 86 86 TYR CB C 299 38.745 37.764 0.981 1 1 856 . 8 1 1 A 86 86 TYR N N 299 115.499 120.255 -4.756 1 1 857 . 8 1 1 A 87 87 GLN H H 300 9.112 8.184 0.928 1 1 858 . 8 1 1 A 87 87 GLN HA H 300 3.977 4.154 -0.177 1 1 861 . 8 1 1 A 87 87 GLN C C 300 176.380 178.436 -2.056 1 1 862 . 8 1 1 A 87 87 GLN CA C 300 58.976 58.278 0.698 1 1 863 . 8 1 1 A 87 87 GLN CB C 300 28.819 28.477 0.342 1 1 865 . 8 1 1 A 87 87 GLN N N 300 125.039 120.893 4.146 1 1 866 . 8 1 1 A 88 88 LEU H H 301 7.536 8.009 -0.473 1 1 867 . 8 1 1 A 88 88 LEU HA H 301 4.309 4.116 0.193 1 1 877 . 8 1 1 A 88 88 LEU C C 301 177.129 179.399 -2.270 1 1 878 . 8 1 1 A 88 88 LEU CA C 301 55.142 56.985 -1.843 1 1 879 . 8 1 1 A 88 88 LEU CB C 301 41.809 41.550 0.259 1 1 883 . 8 1 1 A 88 88 LEU N N 301 115.623 119.137 -3.514 1 1 884 . 8 1 1 A 89 89 MET H H 302 7.025 8.259 -1.234 1 1 885 . 8 1 1 A 89 89 MET HA H 302 4.031 4.266 -0.235 1 1 893 . 8 1 1 A 89 89 MET C C 302 172.664 176.038 -3.374 1 1 894 . 8 1 1 A 89 89 MET CA C 302 55.513 59.392 -3.879 1 1 895 . 8 1 1 A 89 89 MET CB C 302 33.748 32.668 1.080 1 1 898 . 8 1 1 A 89 89 MET N N 302 120.789 119.301 1.488 1 1 899 . 8 1 1 A 90 90 ASP H H 303 8.056 8.183 -0.127 1 1 900 . 8 1 1 A 90 90 ASP HA H 303 4.746 4.247 0.499 1 1 903 . 8 1 1 A 90 90 ASP C C 303 177.139 174.755 2.384 1 1 904 . 8 1 1 A 90 90 ASP CA C 303 54.411 55.117 -0.706 1 1 905 . 8 1 1 A 90 90 ASP CB C 303 40.987 39.109 1.878 1 1 906 . 8 1 1 A 90 90 ASP N N 303 117.873 116.494 1.379 1 1 907 . 8 1 1 A 91 91 HIS H H 304 9.371 8.024 1.347 1 1 908 . 8 1 1 A 91 91 HIS HA H 304 4.657 4.921 -0.264 1 1 912 . 8 1 1 A 91 91 HIS C C 304 177.332 174.772 2.560 1 1 913 . 8 1 1 A 91 91 HIS CA C 304 56.031 54.183 1.848 1 1 914 . 8 1 1 A 91 91 HIS CB C 304 31.150 31.710 -0.560 1 1 916 . 8 1 1 A 91 91 HIS N N 304 126.666 117.948 8.718 1 1 917 . 8 1 1 A 92 92 SER H H 305 8.952 8.961 -0.009 1 1 918 . 8 1 1 A 92 92 SER HA H 305 4.055 4.428 -0.373 1 1 921 . 8 1 1 A 92 92 SER CA C 305 63.687 59.417 4.270 1 1 922 . 8 1 1 A 92 92 SER CB C 305 62.694 63.463 -0.769 1 1 923 . 8 1 1 A 92 92 SER N N 305 118.610 120.313 -1.703 1 1 924 . 8 1 1 A 93 93 ASN H H 306 8.745 8.075 0.670 1 1 925 . 8 1 1 A 93 93 ASN HA H 306 4.803 4.773 0.030 1 1 928 . 8 1 1 A 93 93 ASN C C 306 173.428 175.758 -2.330 1 1 929 . 8 1 1 A 93 93 ASN CA C 306 53.018 53.106 -0.088 1 1 930 . 8 1 1 A 93 93 ASN CB C 306 38.033 39.693 -1.660 1 1 931 . 8 1 1 A 93 93 ASN N N 306 116.257 118.058 -1.801 1 1 932 . 8 1 1 A 94 94 MET H H 307 7.942 7.917 0.025 1 1 933 . 8 1 1 A 94 94 MET HA H 307 4.683 4.595 0.088 1 1 939 . 8 1 1 A 94 94 MET C C 307 174.640 175.759 -1.119 1 1 940 . 8 1 1 A 94 94 MET CA C 307 53.564 54.963 -1.399 1 1 941 . 8 1 1 A 94 94 MET CB C 307 33.988 32.097 1.891 1 1 944 . 8 1 1 A 94 94 MET N N 307 117.799 120.757 -2.958 1 1 945 . 8 1 1 A 95 95 ASP H H 308 8.276 8.502 -0.226 1 1 946 . 8 1 1 A 95 95 ASP HA H 308 5.172 4.899 0.273 1 1 949 . 8 1 1 A 95 95 ASP C C 308 176.264 174.198 2.066 1 1 950 . 8 1 1 A 95 95 ASP CA C 308 55.617 54.631 0.986 1 1 951 . 8 1 1 A 95 95 ASP CB C 308 45.114 41.560 3.554 1 1 952 . 8 1 1 A 95 95 ASP N N 308 119.567 126.154 -6.587 1 1 953 . 8 1 1 A 96 96 CYS H H 309 8.215 7.616 0.599 1 1 954 . 8 1 1 A 96 96 CYS HA H 309 4.680 5.133 -0.453 1 1 957 . 8 1 1 A 96 96 CYS C C 309 170.157 173.213 -3.056 1 1 958 . 8 1 1 A 96 96 CYS CA C 309 57.203 57.573 -0.370 1 1 959 . 8 1 1 A 96 96 CYS CB C 309 52.974 30.676 22.298 1 1 960 . 8 1 1 A 96 96 CYS N N 309 118.264 118.336 -0.072 1 1 961 . 8 1 1 A 97 97 PHE H H 310 8.108 8.948 -0.840 1 1 962 . 8 1 1 A 97 97 PHE HA H 310 5.071 5.149 -0.078 1 1 967 . 8 1 1 A 97 97 PHE C C 310 171.279 173.428 -2.149 1 1 968 . 8 1 1 A 97 97 PHE CA C 310 57.910 57.810 0.100 1 1 969 . 8 1 1 A 97 97 PHE CB C 310 44.724 42.745 1.979 1 1 972 . 8 1 1 A 97 97 PHE N N 310 125.767 124.727 1.040 1 1 973 . 8 1 1 A 98 98 ILE H H 311 7.647 8.242 -0.595 1 1 974 . 8 1 1 A 98 98 ILE HA H 311 4.581 4.997 -0.416 1 1 984 . 8 1 1 A 98 98 ILE C C 311 172.012 174.360 -2.348 1 1 985 . 8 1 1 A 98 98 ILE CA C 311 58.312 59.598 -1.286 1 1 986 . 8 1 1 A 98 98 ILE CB C 311 39.964 42.216 -2.252 1 1 990 . 8 1 1 A 98 98 ILE N N 311 125.102 126.071 -0.969 1 1 991 . 8 1 1 A 99 99 CYS H H 312 8.309 9.238 -0.929 1 1 992 . 8 1 1 A 99 99 CYS HA H 312 4.471 5.080 -0.609 1 1 993 . 8 1 1 A 99 99 CYS C C 312 171.965 173.207 -1.242 1 1 994 . 8 1 1 A 99 99 CYS CA C 312 56.347 57.214 -0.867 1 1 995 . 8 1 1 A 99 99 CYS CB C 312 51.093 29.116 21.977 1 1 996 . 8 1 1 A 99 99 CYS N N 312 124.548 126.199 -1.651 1 1 997 . 8 1 1 A 100 100 CYS H H 313 9.116 9.273 -0.157 1 1 998 . 8 1 1 A 100 100 CYS HA H 313 5.880 5.255 0.625 1 1 1001 . 8 1 1 A 100 100 CYS C C 313 173.635 174.359 -0.724 1 1 1002 . 8 1 1 A 100 100 CYS CA C 313 55.906 57.323 -1.417 1 1 1003 . 8 1 1 A 100 100 CYS CB C 313 52.685 29.202 23.483 1 1 1004 . 8 1 1 A 100 100 CYS N N 313 127.015 126.493 0.522 1 1 1005 . 8 1 1 A 101 101 ILE H H 314 8.896 9.073 -0.177 1 1 1006 . 8 1 1 A 101 101 ILE HA H 314 4.737 4.880 -0.143 1 1 1016 . 8 1 1 A 101 101 ILE C C 314 172.277 176.290 -4.013 1 1 1017 . 8 1 1 A 101 101 ILE CA C 314 60.937 59.754 1.183 1 1 1018 . 8 1 1 A 101 101 ILE CB C 314 40.848 41.996 -1.148 1 1 1022 . 8 1 1 A 101 101 ILE N N 314 121.994 125.016 -3.022 1 1 1023 . 8 1 1 A 102 102 LEU H H 315 8.951 8.611 0.340 1 1 1024 . 8 1 1 A 102 102 LEU HA H 315 5.285 4.719 0.566 1 1 1029 . 8 1 1 A 102 102 LEU C C 315 174.789 176.525 -1.736 1 1 1030 . 8 1 1 A 102 102 LEU CA C 315 52.489 54.584 -2.095 1 1 1031 . 8 1 1 A 102 102 LEU CB C 315 40.041 43.300 -3.259 1 1 1034 . 8 1 1 A 102 102 LEU N N 315 127.404 122.107 5.297 1 1 1035 . 8 1 1 A 103 103 SER H H 316 9.096 7.624 1.472 1 1 1036 . 8 1 1 A 103 103 SER HA H 316 4.680 4.843 -0.163 1 1 1039 . 8 1 1 A 103 103 SER C C 316 174.555 172.421 2.134 1 1 1040 . 8 1 1 A 103 103 SER CA C 316 56.403 57.888 -1.485 1 1 1041 . 8 1 1 A 103 103 SER CB C 316 63.224 66.516 -3.292 1 1 1042 . 8 1 1 A 103 103 SER N N 316 113.273 113.258 0.015 1 1 1043 . 8 1 1 A 104 104 HIS H H 317 7.515 8.754 -1.239 1 1 1044 . 8 1 1 A 104 104 HIS HA H 317 5.214 4.710 0.504 1 1 1048 . 8 1 1 A 104 104 HIS C C 317 175.667 175.133 0.534 1 1 1049 . 8 1 1 A 104 104 HIS CA C 317 56.371 54.845 1.526 1 1 1050 . 8 1 1 A 104 104 HIS CB C 317 34.676 33.413 1.263 1 1 1052 . 8 1 1 A 104 104 HIS N N 317 114.740 118.587 -3.847 1 1 1053 . 8 1 1 A 105 105 GLY H H 318 8.368 8.787 -0.419 1 1 1054 . 8 1 1 A 105 105 GLY C C 318 169.470 173.189 -3.719 1 1 1055 . 8 1 1 A 105 105 GLY CA C 318 45.558 44.532 1.026 1 1 1056 . 8 1 1 A 105 105 GLY N N 318 107.330 110.265 -2.935 1 1 1057 . 8 1 1 A 106 106 ASP H H 319 7.943 8.581 -0.638 1 1 1058 . 8 1 1 A 106 106 ASP HA H 319 4.622 5.077 -0.455 1 1 1061 . 8 1 1 A 106 106 ASP C C 319 175.179 177.368 -2.189 1 1 1062 . 8 1 1 A 106 106 ASP CA C 319 53.188 53.182 0.006 1 1 1063 . 8 1 1 A 106 106 ASP CB C 319 43.555 43.959 -0.404 1 1 1064 . 8 1 1 A 106 106 ASP N N 319 116.893 120.214 -3.321 1 1 1065 . 8 1 1 A 107 107 LYS H H 320 9.376 8.887 0.489 1 1 1066 . 8 1 1 A 107 107 LYS HA H 320 3.956 4.220 -0.264 1 1 1075 . 8 1 1 A 107 107 LYS C C 320 176.864 178.584 -1.720 1 1 1076 . 8 1 1 A 107 107 LYS CA C 320 58.567 59.236 -0.669 1 1 1077 . 8 1 1 A 107 107 LYS CB C 320 30.568 32.262 -1.694 1 1 1081 . 8 1 1 A 107 107 LYS N N 320 122.539 122.866 -0.327 1 1 1082 . 8 1 1 A 108 108 GLY H H 321 9.025 8.308 0.717 1 1 1083 . 8 1 1 A 108 108 GLY C C 321 173.633 173.928 -0.295 1 1 1084 . 8 1 1 A 108 108 GLY CA C 321 45.491 45.754 -0.263 1 1 1085 . 8 1 1 A 108 108 GLY N N 321 111.919 107.006 4.913 1 1 1086 . 8 1 1 A 109 109 ILE H H 322 8.157 7.216 0.941 1 1 1087 . 8 1 1 A 109 109 ILE HA H 322 4.994 4.908 0.086 1 1 1097 . 8 1 1 A 109 109 ILE C C 322 174.524 174.780 -0.256 1 1 1098 . 8 1 1 A 109 109 ILE CA C 322 59.009 58.417 0.592 1 1 1099 . 8 1 1 A 109 109 ILE CB C 322 43.375 41.348 2.027 1 1 1103 . 8 1 1 A 109 109 ILE N N 322 116.465 113.653 2.812 1 1 1104 . 8 1 1 A 110 110 ILE H H 323 8.443 8.519 -0.076 1 1 1105 . 8 1 1 A 110 110 ILE HA H 323 4.530 4.329 0.201 1 1 1115 . 8 1 1 A 110 110 ILE C C 323 174.337 175.357 -1.020 1 1 1116 . 8 1 1 A 110 110 ILE CA C 323 58.547 60.767 -2.220 1 1 1117 . 8 1 1 A 110 110 ILE CB C 323 41.604 37.955 3.649 1 1 1121 . 8 1 1 A 110 110 ILE N N 323 116.661 123.801 -7.140 1 1 1122 . 8 1 1 A 111 111 TYR H H 324 8.584 8.576 0.008 1 1 1123 . 8 1 1 A 111 111 TYR HA H 324 5.557 5.341 0.216 1 1 1128 . 8 1 1 A 111 111 TYR C C 324 178.528 174.704 3.824 1 1 1129 . 8 1 1 A 111 111 TYR CA C 324 56.571 55.959 0.612 1 1 1130 . 8 1 1 A 111 111 TYR CB C 324 39.984 41.674 -1.690 1 1 1133 . 8 1 1 A 111 111 TYR N N 324 119.472 125.831 -6.359 1 1 1134 . 8 1 1 A 112 112 GLY H H 325 8.522 8.527 -0.005 1 1 1135 . 8 1 1 A 112 112 GLY C C 325 174.755 173.980 0.775 1 1 1136 . 8 1 1 A 112 112 GLY CA C 325 43.145 46.399 -3.254 1 1 1137 . 8 1 1 A 112 112 GLY N N 325 107.078 107.303 -0.225 1 1 1138 . 8 1 1 A 113 113 THR H H 326 8.245 8.379 -0.134 1 1 1139 . 8 1 1 A 113 113 THR HA H 326 3.186 4.599 -1.413 1 1 1144 . 8 1 1 A 113 113 THR C C 326 173.264 175.658 -2.394 1 1 1145 . 8 1 1 A 113 113 THR CA C 326 64.857 63.538 1.319 1 1 1146 . 8 1 1 A 113 113 THR CB C 326 66.749 70.249 -3.500 1 1 1148 . 8 1 1 A 113 113 THR N N 326 113.146 116.376 -3.230 1 1 1149 . 8 1 1 A 114 114 ASP H H 327 8.801 8.468 0.333 1 1 1150 . 8 1 1 A 114 114 ASP HA H 327 4.099 4.935 -0.836 1 1 1153 . 8 1 1 A 114 114 ASP C C 327 176.262 176.562 -0.300 1 1 1154 . 8 1 1 A 114 114 ASP CA C 327 52.768 55.037 -2.269 1 1 1155 . 8 1 1 A 114 114 ASP CB C 327 39.312 43.805 -4.493 1 1 1156 . 8 1 1 A 114 114 ASP N N 327 112.026 119.219 -7.193 1 1 1157 . 8 1 1 A 115 115 GLY H H 328 8.462 7.453 1.009 1 1 1158 . 8 1 1 A 115 115 GLY HA2 H 328 4.010 4.156 -0.146 1 1 1159 . 8 1 1 A 115 115 GLY HA3 H 328 4.010 4.180 -0.170 1 1 1160 . 8 1 1 A 115 115 GLY C C 328 171.918 174.207 -2.289 1 1 1161 . 8 1 1 A 115 115 GLY CA C 328 45.463 45.475 -0.012 1 1 1162 . 8 1 1 A 115 115 GLY N N 328 107.749 105.464 2.285 1 1 1163 . 8 1 1 A 116 116 GLN H H 329 6.657 7.691 -1.034 1 1 1164 . 8 1 1 A 116 116 GLN HA H 329 4.441 4.736 -0.295 1 1 1170 . 8 1 1 A 116 116 GLN C C 329 174.196 175.004 -0.808 1 1 1171 . 8 1 1 A 116 116 GLN CA C 329 55.204 55.046 0.158 1 1 1172 . 8 1 1 A 116 116 GLN CB C 329 28.541 30.512 -1.971 1 1 1174 . 8 1 1 A 116 116 GLN N N 329 115.146 119.067 -3.921 1 1 1176 . 8 1 1 A 117 117 GLU H H 330 8.624 8.511 0.113 1 1 1177 . 8 1 1 A 117 117 GLU HA H 330 4.733 4.411 0.322 1 1 1178 . 8 1 1 A 117 117 GLU C C 330 175.357 175.486 -0.129 1 1 1179 . 8 1 1 A 117 117 GLU CA C 330 55.191 55.719 -0.528 1 1 1180 . 8 1 1 A 117 117 GLU CB C 330 32.586 29.018 3.568 1 1 1182 . 8 1 1 A 117 117 GLU N N 330 119.031 121.282 -2.251 1 1 1183 . 8 1 1 A 118 118 ALA H H 331 8.995 8.319 0.676 1 1 1184 . 8 1 1 A 118 118 ALA HA H 331 5.165 5.148 0.017 1 1 1188 . 8 1 1 A 118 118 ALA C C 331 173.650 174.909 -1.259 1 1 1189 . 8 1 1 A 118 118 ALA CA C 331 48.343 49.681 -1.338 1 1 1190 . 8 1 1 A 118 118 ALA CB C 331 20.353 19.379 0.974 1 1 1191 . 8 1 1 A 118 118 ALA N N 331 123.550 128.575 -5.025 1 1 1192 . 8 1 1 A 119 119 PRO HA H 332 4.819 4.470 0.349 1 1 1193 . 8 1 1 A 119 119 PRO C C 332 177.819 177.787 0.032 1 1 1194 . 8 1 1 A 119 119 PRO CA C 332 62.007 62.794 -0.787 1 1 1195 . 8 1 1 A 119 119 PRO CB C 332 32.081 31.632 0.449 1 1 1197 . 8 1 1 A 120 120 ILE H H 333 8.574 8.685 -0.111 1 1 1198 . 8 1 1 A 120 120 ILE HA H 333 3.278 3.823 -0.545 1 1 1206 . 8 1 1 A 120 120 ILE C C 333 177.316 177.298 0.018 1 1 1207 . 8 1 1 A 120 120 ILE CA C 333 66.025 63.906 2.119 1 1 1208 . 8 1 1 A 120 120 ILE CB C 333 37.991 37.555 0.436 1 1 1212 . 8 1 1 A 120 120 ILE N N 333 126.740 125.829 0.911 1 1 1213 . 8 1 1 A 121 121 TYR H H 334 9.192 8.196 0.996 1 1 1214 . 8 1 1 A 121 121 TYR HA H 334 3.942 4.364 -0.422 1 1 1219 . 8 1 1 A 121 121 TYR C C 334 177.847 177.751 0.096 1 1 1220 . 8 1 1 A 121 121 TYR CA C 334 60.688 60.301 0.387 1 1 1221 . 8 1 1 A 121 121 TYR CB C 334 38.803 37.703 1.100 1 1 1224 . 8 1 1 A 121 121 TYR N N 334 117.479 121.372 -3.893 1 1 1225 . 8 1 1 A 122 122 GLU H H 335 7.178 8.261 -1.083 1 1 1226 . 8 1 1 A 122 122 GLU HA H 335 3.751 4.142 -0.391 1 1 1228 . 8 1 1 A 122 122 GLU C C 335 176.427 178.924 -2.497 1 1 1229 . 8 1 1 A 122 122 GLU CA C 335 58.378 58.314 0.064 1 1 1230 . 8 1 1 A 122 122 GLU CB C 335 29.477 29.708 -0.231 1 1 1232 . 8 1 1 A 122 122 GLU N N 335 115.885 121.116 -5.231 1 1 1233 . 8 1 1 A 123 123 LEU H H 336 7.440 7.579 -0.139 1 1 1234 . 8 1 1 A 123 123 LEU HA H 336 4.123 3.730 0.393 1 1 1244 . 8 1 1 A 123 123 LEU C C 336 177.925 179.246 -1.321 1 1 1245 . 8 1 1 A 123 123 LEU CA C 336 56.646 57.782 -1.136 1 1 1246 . 8 1 1 A 123 123 LEU CB C 336 40.661 42.193 -1.532 1 1 1250 . 8 1 1 A 123 123 LEU N N 336 115.934 120.049 -4.115 1 1 1251 . 8 1 1 A 124 124 THR H H 337 8.009 8.423 -0.414 1 1 1252 . 8 1 1 A 124 124 THR HA H 337 3.597 4.097 -0.500 1 1 1257 . 8 1 1 A 124 124 THR C C 337 177.568 176.777 0.791 1 1 1258 . 8 1 1 A 124 124 THR CA C 337 64.110 64.572 -0.462 1 1 1259 . 8 1 1 A 124 124 THR CB C 337 67.603 68.666 -1.063 1 1 1261 . 8 1 1 A 124 124 THR N N 337 107.827 109.186 -1.359 1 1 1262 . 8 1 1 A 125 125 SER H H 338 7.435 8.089 -0.654 1 1 1263 . 8 1 1 A 125 125 SER HA H 338 3.723 4.113 -0.390 1 1 1266 . 8 1 1 A 125 125 SER C C 338 174.040 175.786 -1.746 1 1 1267 . 8 1 1 A 125 125 SER CA C 338 60.514 60.821 -0.307 1 1 1268 . 8 1 1 A 125 125 SER CB C 338 62.391 63.155 -0.764 1 1 1269 . 8 1 1 A 125 125 SER N N 338 112.670 117.308 -4.638 1 1 1270 . 8 1 1 A 126 126 GLN H H 339 7.071 7.436 -0.365 1 1 1271 . 8 1 1 A 126 126 GLN HA H 339 3.850 4.092 -0.242 1 1 1276 . 8 1 1 A 126 126 GLN C C 339 173.915 176.787 -2.872 1 1 1277 . 8 1 1 A 126 126 GLN CA C 339 56.106 56.068 0.038 1 1 1278 . 8 1 1 A 126 126 GLN CB C 339 27.028 28.061 -1.033 1 1 1280 . 8 1 1 A 126 126 GLN N N 339 117.347 118.526 -1.179 1 1 1281 . 8 1 1 A 127 127 PHE H H 340 7.355 8.024 -0.669 1 1 1282 . 8 1 1 A 127 127 PHE HA H 340 4.515 4.690 -0.175 1 1 1285 . 8 1 1 A 127 127 PHE C C 340 175.241 175.783 -0.542 1 1 1286 . 8 1 1 A 127 127 PHE CA C 340 57.914 56.950 0.964 1 1 1287 . 8 1 1 A 127 127 PHE CB C 340 38.496 38.903 -0.407 1 1 1288 . 8 1 1 A 127 127 PHE N N 340 110.412 116.349 -5.937 1 1 1289 . 8 1 1 A 128 128 THR H H 341 6.785 7.021 -0.236 1 1 1290 . 8 1 1 A 128 128 THR HA H 341 4.294 4.250 0.044 1 1 1295 . 8 1 1 A 128 128 THR C C 341 174.727 176.403 -1.676 1 1 1296 . 8 1 1 A 128 128 THR CA C 341 62.016 63.500 -1.484 1 1 1297 . 8 1 1 A 128 128 THR CB C 341 69.757 69.494 0.263 1 1 1299 . 8 1 1 A 128 128 THR N N 341 107.455 114.985 -7.530 1 1 1300 . 8 1 1 A 129 129 GLY H H 342 10.506 8.811 1.695 1 1 1301 . 8 1 1 A 129 129 GLY HA2 H 342 3.841 3.843 -0.002 1 1 1302 . 8 1 1 A 129 129 GLY HA3 H 342 3.648 3.849 -0.201 1 1 1303 . 8 1 1 A 129 129 GLY C C 342 175.631 174.663 0.968 1 1 1304 . 8 1 1 A 129 129 GLY CA C 342 47.056 46.845 0.211 1 1 1305 . 8 1 1 A 129 129 GLY N N 342 111.023 114.007 -2.984 1 1 1306 . 8 1 1 A 130 130 LEU H H 343 8.003 7.973 0.030 1 1 1307 . 8 1 1 A 130 130 LEU HA H 343 4.135 4.437 -0.302 1 1 1317 . 8 1 1 A 130 130 LEU C C 343 178.627 177.338 1.289 1 1 1318 . 8 1 1 A 130 130 LEU CA C 343 56.606 54.898 1.708 1 1 1319 . 8 1 1 A 130 130 LEU CB C 343 42.399 42.159 0.240 1 1 1323 . 8 1 1 A 130 130 LEU N N 343 116.983 118.943 -1.960 1 1 1324 . 8 1 1 A 131 131 LYS H H 344 6.961 7.835 -0.874 1 1 1325 . 8 1 1 A 131 131 LYS HA H 344 4.001 4.450 -0.449 1 1 1333 . 8 1 1 A 131 131 LYS C C 344 176.224 176.156 0.068 1 1 1334 . 8 1 1 A 131 131 LYS CA C 344 57.534 55.757 1.777 1 1 1335 . 8 1 1 A 131 131 LYS CB C 344 33.404 34.771 -1.367 1 1 1339 . 8 1 1 A 131 131 LYS N N 344 116.907 116.069 0.838 1 1 1340 . 8 1 1 A 132 132 CYS H H 345 8.564 8.246 0.318 1 1 1341 . 8 1 1 A 132 132 CYS HA H 345 4.930 4.833 0.097 1 1 1344 . 8 1 1 A 132 132 CYS C C 345 172.261 172.866 -0.605 1 1 1345 . 8 1 1 A 132 132 CYS CA C 345 56.566 56.886 -0.320 1 1 1346 . 8 1 1 A 132 132 CYS CB C 345 49.011 27.802 21.209 1 1 1347 . 8 1 1 A 132 132 CYS N N 345 117.718 118.030 -0.312 1 1 1348 . 8 1 1 A 133 133 PRO HA H 346 4.719 4.491 0.228 1 1 1354 . 8 1 1 A 133 133 PRO C C 346 179.500 176.341 3.159 1 1 1355 . 8 1 1 A 133 133 PRO CA C 346 62.681 64.080 -1.399 1 1 1356 . 8 1 1 A 133 133 PRO CB C 346 34.366 31.780 2.586 1 1 1359 . 8 1 1 A 134 134 SER H H 347 8.896 7.875 1.021 1 1 1360 . 8 1 1 A 134 134 SER HA H 347 4.415 4.585 -0.170 1 1 1363 . 8 1 1 A 134 134 SER C C 347 174.434 174.900 -0.466 1 1 1364 . 8 1 1 A 134 134 SER CA C 347 60.509 58.752 1.757 1 1 1365 . 8 1 1 A 134 134 SER CB C 347 62.207 61.976 0.231 1 1 1366 . 8 1 1 A 134 134 SER N N 347 112.882 115.449 -2.567 1 1 1367 . 8 1 1 A 135 135 LEU H H 348 7.549 8.847 -1.298 1 1 1368 . 8 1 1 A 135 135 LEU HA H 348 4.466 4.046 0.420 1 1 1378 . 8 1 1 A 135 135 LEU C C 348 176.458 177.185 -0.727 1 1 1379 . 8 1 1 A 135 135 LEU CA C 348 53.787 56.143 -2.356 1 1 1380 . 8 1 1 A 135 135 LEU CB C 348 44.189 39.426 4.763 1 1 1384 . 8 1 1 A 135 135 LEU N N 348 118.501 125.671 -7.170 1 1 1385 . 8 1 1 A 136 136 ALA H H 349 7.776 7.900 -0.124 1 1 1386 . 8 1 1 A 136 136 ALA HA H 349 4.056 4.016 0.040 1 1 1390 . 8 1 1 A 136 136 ALA C C 349 178.620 179.808 -1.188 1 1 1391 . 8 1 1 A 136 136 ALA CA C 349 54.406 55.265 -0.859 1 1 1392 . 8 1 1 A 136 136 ALA CB C 349 17.934 18.196 -0.262 1 1 1393 . 8 1 1 A 136 136 ALA N N 349 125.801 121.295 4.506 1 1 1394 . 8 1 1 A 137 137 GLY H H 350 9.371 8.272 1.099 1 1 1395 . 8 1 1 A 137 137 GLY C C 350 173.026 173.886 -0.860 1 1 1396 . 8 1 1 A 137 137 GLY CA C 350 45.132 45.583 -0.451 1 1 1397 . 8 1 1 A 137 137 GLY N N 350 111.181 105.812 5.369 1 1 1398 . 8 1 1 A 138 138 LYS H H 351 8.038 7.541 0.497 1 1 1399 . 8 1 1 A 138 138 LYS HA H 351 4.660 4.478 0.182 1 1 1400 . 8 1 1 A 138 138 LYS C C 351 172.078 174.771 -2.693 1 1 1401 . 8 1 1 A 138 138 LYS CA C 351 52.728 54.258 -1.530 1 1 1402 . 8 1 1 A 138 138 LYS CB C 351 32.069 33.067 -0.998 1 1 1404 . 8 1 1 A 138 138 LYS N N 351 119.821 121.633 -1.812 1 1 1405 . 8 1 1 A 139 139 PRO HA H 352 4.300 4.694 -0.394 1 1 1412 . 8 1 1 A 139 139 PRO C C 352 173.954 176.057 -2.103 1 1 1413 . 8 1 1 A 139 139 PRO CA C 352 62.595 62.678 -0.083 1 1 1414 . 8 1 1 A 139 139 PRO CB C 352 31.399 33.203 -1.804 1 1 1417 . 8 1 1 A 140 140 LYS H H 353 8.188 8.629 -0.441 1 1 1418 . 8 1 1 A 140 140 LYS HA H 353 4.610 5.346 -0.736 1 1 1419 . 8 1 1 A 140 140 LYS C C 353 173.494 174.801 -1.307 1 1 1420 . 8 1 1 A 140 140 LYS CA C 353 55.344 54.651 0.693 1 1 1421 . 8 1 1 A 140 140 LYS CB C 353 32.527 36.725 -4.198 1 1 1423 . 8 1 1 A 140 140 LYS N N 353 123.304 116.013 7.291 1 1 1424 . 8 1 1 A 141 141 VAL H H 354 8.344 8.754 -0.410 1 1 1425 . 8 1 1 A 141 141 VAL HA H 354 4.533 4.949 -0.416 1 1 1433 . 8 1 1 A 141 141 VAL C C 354 172.277 174.013 -1.736 1 1 1434 . 8 1 1 A 141 141 VAL CA C 354 60.596 60.532 0.064 1 1 1435 . 8 1 1 A 141 141 VAL CB C 354 33.580 36.134 -2.554 1 1 1438 . 8 1 1 A 141 141 VAL N N 354 122.550 119.829 2.721 1 1 1439 . 8 1 1 A 142 142 PHE H H 355 8.985 8.999 -0.014 1 1 1440 . 8 1 1 A 142 142 PHE HA H 355 5.436 5.343 0.093 1 1 1441 . 8 1 1 A 142 142 PHE C C 355 173.666 172.085 1.581 1 1 1442 . 8 1 1 A 142 142 PHE CA C 355 54.968 55.595 -0.627 1 1 1443 . 8 1 1 A 142 142 PHE CB C 355 42.877 42.351 0.526 1 1 1444 . 8 1 1 A 142 142 PHE N N 355 123.850 120.827 3.023 1 1 1445 . 8 1 1 A 143 143 PHE H H 356 8.584 8.584 0.000 1 1 1446 . 8 1 1 A 143 143 PHE HA H 356 5.934 4.861 1.073 1 1 1449 . 8 1 1 A 143 143 PHE C C 356 174.526 174.990 -0.464 1 1 1450 . 8 1 1 A 143 143 PHE CA C 356 55.909 56.344 -0.435 1 1 1451 . 8 1 1 A 143 143 PHE CB C 356 39.923 41.133 -1.210 1 1 1454 . 8 1 1 A 143 143 PHE N N 356 119.801 118.247 1.554 1 1 1455 . 8 1 1 A 144 144 ILE H H 357 9.020 8.060 0.960 1 1 1456 . 8 1 1 A 144 144 ILE HA H 357 5.040 4.259 0.781 1 1 1466 . 8 1 1 A 144 144 ILE C C 357 173.323 175.760 -2.437 1 1 1467 . 8 1 1 A 144 144 ILE CA C 357 59.479 61.546 -2.067 1 1 1468 . 8 1 1 A 144 144 ILE CB C 357 40.898 39.201 1.697 1 1 1472 . 8 1 1 A 144 144 ILE N N 357 121.194 125.317 -4.123 1 1 1473 . 8 1 1 A 145 145 GLN H H 358 8.856 8.715 0.141 1 1 1474 . 8 1 1 A 145 145 GLN HA H 358 4.670 4.471 0.199 1 1 1475 . 8 1 1 A 145 145 GLN C C 358 171.591 174.503 -2.912 1 1 1476 . 8 1 1 A 145 145 GLN CA C 358 53.648 55.588 -1.940 1 1 1477 . 8 1 1 A 145 145 GLN CB C 358 30.373 29.081 1.292 1 1 1479 . 8 1 1 A 145 145 GLN N N 358 128.880 128.793 0.087 1 1 1480 . 8 1 1 A 146 146 ALA H H 359 8.418 8.731 -0.313 1 1 1481 . 8 1 1 A 146 146 ALA HA H 359 5.247 4.554 0.693 1 1 1485 . 8 1 1 A 146 146 ALA C C 359 175.319 176.395 -1.076 1 1 1486 . 8 1 1 A 146 146 ALA CA C 359 50.243 50.449 -0.206 1 1 1487 . 8 1 1 A 146 146 ALA CB C 359 18.786 19.803 -1.017 1 1 1488 . 8 1 1 A 146 146 ALA N N 359 128.349 129.621 -1.272 1 1 1489 . 8 1 1 A 147 147 ALA H H 360 8.161 8.928 -0.767 1 1 1490 . 8 1 1 A 147 147 ALA HA H 360 4.343 4.742 -0.399 1 1 1494 . 8 1 1 A 147 147 ALA C C 360 177.238 175.913 1.325 1 1 1495 . 8 1 1 A 147 147 ALA CA C 360 52.078 50.060 2.018 1 1 1496 . 8 1 1 A 147 147 ALA CB C 360 20.003 22.481 -2.478 1 1 1497 . 8 1 1 A 147 147 ALA N N 360 123.005 125.686 -2.681 1 1 1498 . 8 1 1 A 148 148 GLN H H 361 8.461 8.416 0.045 1 1 1499 . 8 1 1 A 148 148 GLN HA H 361 4.663 4.436 0.227 1 1 1504 . 8 1 1 A 148 148 GLN C C 361 176.333 175.791 0.542 1 1 1505 . 8 1 1 A 148 148 GLN CA C 361 55.760 55.694 0.066 1 1 1506 . 8 1 1 A 148 148 GLN CB C 361 29.937 28.916 1.021 1 1 1508 . 8 1 1 A 148 148 GLN N N 361 120.296 119.373 0.923 1 1 1509 . 8 1 1 A 149 149 GLY H H 362 8.631 8.872 -0.241 1 1 1510 . 8 1 1 A 149 149 GLY HA2 H 362 3.858 4.021 -0.163 1 1 1511 . 8 1 1 A 149 149 GLY HA3 H 362 3.858 4.068 -0.210 1 1 1512 . 8 1 1 A 149 149 GLY C C 362 172.022 174.986 -2.964 1 1 1513 . 8 1 1 A 149 149 GLY CA C 362 44.969 46.306 -1.337 1 1 1514 . 8 1 1 A 149 149 GLY N N 362 109.782 113.885 -4.103 1 1 1515 . 8 1 1 A 150 150 ASP H H 363 7.566 9.044 -1.478 1 1 1516 . 8 1 1 A 150 150 ASP HA H 363 4.661 4.806 -0.145 1 1 1519 . 8 1 1 A 150 150 ASP C C 363 174.446 175.757 -1.311 1 1 1520 . 8 1 1 A 150 150 ASP CA C 363 57.776 53.324 4.452 1 1 1521 . 8 1 1 A 150 150 ASP CB C 363 39.423 40.934 -1.511 1 1 1522 . 8 1 1 A 150 150 ASP N N 363 118.182 126.183 -8.001 1 1 1523 . 8 1 1 A 153 153 GLN HA H 366 4.665 4.238 0.427 1 1 1530 . 8 1 1 A 153 153 GLN CA C 366 53.779 55.956 -2.177 1 1 1531 . 8 1 1 A 153 153 GLN CB C 366 28.988 29.380 -0.392 1 1 1534 . 8 1 1 A 155 155 GLY HA2 H 368 3.899 4.019 -0.120 1 1 1535 . 8 1 1 A 155 155 GLY HA3 H 368 3.899 4.022 -0.123 1 1 1536 . 8 1 1 A 155 155 GLY CA C 368 45.013 45.596 -0.583 1 1 1537 . 8 1 1 A 156 156 ILE H H 369 7.871 8.594 -0.723 1 1 1538 . 8 1 1 A 156 156 ILE HA H 369 4.428 4.765 -0.337 1 1 1548 . 8 1 1 A 156 156 ILE C C 369 174.196 175.429 -1.233 1 1 1549 . 8 1 1 A 156 156 ILE CA C 369 58.676 57.278 1.398 1 1 1550 . 8 1 1 A 156 156 ILE CB C 369 38.516 40.348 -1.832 1 1 1554 . 8 1 1 A 156 156 ILE N N 369 120.958 116.395 4.563 1 1 1555 . 8 1 1 A 157 157 PRO HA H 370 4.386 4.541 -0.155 1 1 1562 . 8 1 1 A 157 157 PRO C C 370 176.218 176.623 -0.405 1 1 1563 . 8 1 1 A 157 157 PRO CA C 370 63.431 64.406 -0.975 1 1 1564 . 8 1 1 A 157 157 PRO CB C 370 31.913 32.149 -0.236 1 1 1567 . 8 1 1 A 158 158 VAL H H 371 8.137 7.666 0.471 1 1 1568 . 8 1 1 A 158 158 VAL HA H 371 4.089 4.178 -0.089 1 1 1576 . 8 1 1 A 158 158 VAL C C 371 175.904 175.415 0.489 1 1 1577 . 8 1 1 A 158 158 VAL CA C 371 62.121 60.956 1.165 1 1 1578 . 8 1 1 A 158 158 VAL CB C 371 32.958 33.402 -0.444 1 1 1581 . 8 1 1 A 158 158 VAL N N 371 119.640 115.056 4.584 1 1 1582 . 8 1 1 A 159 159 GLU H H 372 8.523 9.082 -0.559 1 1 1583 . 8 1 1 A 159 159 GLU HA H 372 4.345 5.005 -0.660 1 1 1588 . 8 1 1 A 159 159 GLU C C 372 176.068 174.811 1.257 1 1 1589 . 8 1 1 A 159 159 GLU CA C 372 56.474 54.703 1.771 1 1 1590 . 8 1 1 A 159 159 GLU CB C 372 30.078 33.263 -3.185 1 1 1592 . 8 1 1 A 159 159 GLU N N 372 123.765 118.174 5.591 1 1 1593 . 8 1 1 A 160 160 THR H H 373 8.096 8.545 -0.449 1 1 1594 . 8 1 1 A 160 160 THR HA H 373 4.311 4.401 -0.090 1 1 1599 . 8 1 1 A 160 160 THR C C 373 173.701 173.465 0.236 1 1 1600 . 8 1 1 A 160 160 THR CA C 373 61.845 62.146 -0.301 1 1 1601 . 8 1 1 A 160 160 THR CB C 373 69.760 69.682 0.078 1 1 1603 . 8 1 1 A 160 160 THR N N 373 114.143 114.344 -0.201 1 1 1604 . 8 1 1 A 161 161 ASP H H 374 8.387 8.967 -0.580 1 1 1605 . 8 1 1 A 161 161 ASP HA H 374 4.625 5.060 -0.435 1 1 1608 . 8 1 1 A 161 161 ASP C C 374 175.806 174.921 0.885 1 1 1609 . 8 1 1 A 161 161 ASP CA C 374 54.478 53.252 1.226 1 1 1610 . 8 1 1 A 161 161 ASP CB C 374 41.096 43.697 -2.601 1 1 1611 . 8 1 1 A 161 161 ASP N N 374 122.070 125.128 -3.058 1 1 1612 . 8 1 1 A 162 162 SER H H 375 8.175 8.556 -0.381 1 1 1613 . 8 1 1 A 162 162 SER HA H 375 4.385 3.973 0.412 1 1 1616 . 8 1 1 A 162 162 SER C C 375 174.169 173.266 0.903 1 1 1617 . 8 1 1 A 162 162 SER CA C 375 58.631 58.843 -0.212 1 1 1618 . 8 1 1 A 162 162 SER CB C 375 63.814 61.633 2.181 1 1 1619 . 8 1 1 A 162 162 SER N N 375 115.346 117.607 -2.261 1 1 1620 . 8 1 1 A 163 163 GLU H H 376 8.424 8.086 0.338 1 1 1621 . 8 1 1 A 163 163 GLU HA H 376 4.263 4.617 -0.354 1 1 1626 . 8 1 1 A 163 163 GLU C C 376 175.959 175.792 0.167 1 1 1627 . 8 1 1 A 163 163 GLU CA C 376 56.567 55.681 0.886 1 1 1628 . 8 1 1 A 163 163 GLU CB C 376 30.044 30.462 -0.418 1 1 1630 . 8 1 1 A 163 163 GLU N N 376 122.034 117.624 4.410 1 1 1631 . 8 1 1 A 164 164 GLU H H 377 8.298 8.828 -0.530 1 1 1632 . 8 1 1 A 164 164 GLU HA H 377 4.224 4.460 -0.236 1 1 1637 . 8 1 1 A 164 164 GLU C C 377 175.816 178.030 -2.214 1 1 1638 . 8 1 1 A 164 164 GLU CA C 377 56.489 56.224 0.265 1 1 1639 . 8 1 1 A 164 164 GLU CB C 377 30.220 30.710 -0.490 1 1 1641 . 8 1 1 A 164 164 GLU N N 377 120.980 123.078 -2.098 1 1 1642 . 8 1 1 A 165 165 GLN H H 378 8.340 8.967 -0.627 1 1 1643 . 8 1 1 A 165 165 GLN HA H 378 4.563 4.084 0.479 1 1 1645 . 8 1 1 A 165 165 GLN C C 378 173.510 176.916 -3.406 1 1 1646 . 8 1 1 A 165 165 GLN CA C 378 53.530 60.787 -7.257 1 1 1647 . 8 1 1 A 165 165 GLN CB C 378 28.816 27.471 1.345 1 1 1649 . 8 1 1 A 165 165 GLN N N 378 121.693 122.773 -1.080 1 1 1650 . 8 1 1 A 166 166 PRO HA H 379 4.381 4.769 -0.388 1 1 1657 . 8 1 1 A 166 166 PRO C C 379 176.081 176.141 -0.060 1 1 1658 . 8 1 1 A 166 166 PRO CA C 379 63.260 62.438 0.822 1 1 1659 . 8 1 1 A 166 166 PRO CB C 379 32.010 29.248 2.762 1 1 1662 . 8 1 1 A 167 167 TYR H H 380 8.116 8.739 -0.623 1 1 1663 . 8 1 1 A 167 167 TYR HA H 380 4.513 4.694 -0.181 1 1 1668 . 8 1 1 A 167 167 TYR C C 380 174.992 175.152 -0.160 1 1 1669 . 8 1 1 A 167 167 TYR CA C 380 57.699 57.601 0.098 1 1 1670 . 8 1 1 A 167 167 TYR CB C 380 38.344 39.853 -1.509 1 1 1673 . 8 1 1 A 167 167 TYR N N 380 119.531 119.545 -0.014 1 1 1674 . 8 1 1 A 168 168 LEU H H 381 7.953 8.364 -0.411 1 1 1675 . 8 1 1 A 168 168 LEU HA H 381 4.267 4.606 -0.339 1 1 1685 . 8 1 1 A 168 168 LEU C C 381 176.162 176.307 -0.145 1 1 1686 . 8 1 1 A 168 168 LEU CA C 381 54.808 53.650 1.158 1 1 1687 . 8 1 1 A 168 168 LEU CB C 381 42.735 42.923 -0.188 1 1 1691 . 8 1 1 A 168 168 LEU N N 381 124.133 121.643 2.490 1 1 1692 . 8 1 1 A 169 169 GLU H H 382 8.190 8.747 -0.557 1 1 1693 . 8 1 1 A 169 169 GLU HA H 382 4.167 4.320 -0.153 1 1 1698 . 8 1 1 A 169 169 GLU C C 382 175.881 176.790 -0.909 1 1 1699 . 8 1 1 A 169 169 GLU CA C 382 56.655 55.442 1.213 1 1 1700 . 8 1 1 A 169 169 GLU CB C 382 30.058 31.210 -1.152 1 1 1702 . 8 1 1 A 169 169 GLU N N 382 121.131 122.249 -1.118 1 1 1703 . 8 1 1 A 170 170 MET H H 383 8.214 8.863 -0.649 1 1 1704 . 8 1 1 A 170 170 MET HA H 383 4.377 4.500 -0.123 1 1 1709 . 8 1 1 A 170 170 MET C C 383 175.132 175.571 -0.439 1 1 1710 . 8 1 1 A 170 170 MET CA C 383 55.606 57.362 -1.756 1 1 1711 . 8 1 1 A 170 170 MET CB C 383 33.091 34.074 -0.983 1 1 1713 . 8 1 1 A 170 170 MET N N 383 120.601 119.430 1.171 1 1 1714 . 8 1 1 A 171 171 ASP H H 384 8.358 7.844 0.514 1 1 1715 . 8 1 1 A 171 171 ASP HA H 384 4.575 4.938 -0.363 1 1 1718 . 8 1 1 A 171 171 ASP C C 384 175.966 174.010 1.956 1 1 1719 . 8 1 1 A 171 171 ASP CA C 384 53.741 52.941 0.800 1 1 1720 . 8 1 1 A 171 171 ASP CB C 384 40.571 44.635 -4.064 1 1 1721 . 8 1 1 A 171 171 ASP N N 384 121.104 115.431 5.673 1 1 1722 . 8 1 1 A 172 172 LEU H H 385 8.285 8.899 -0.614 1 1 1723 . 8 1 1 A 172 172 LEU HA H 385 4.305 4.977 -0.672 1 1 1733 . 8 1 1 A 172 172 LEU C C 385 177.140 176.113 1.027 1 1 1734 . 8 1 1 A 172 172 LEU CA C 385 55.122 53.758 1.364 1 1 1735 . 8 1 1 A 172 172 LEU CB C 385 41.851 42.590 -0.739 1 1 1739 . 8 1 1 A 172 172 LEU N N 385 123.115 122.157 0.958 1 1 1740 . 8 1 1 A 173 173 SER H H 386 8.290 8.727 -0.437 1 1 1741 . 8 1 1 A 173 173 SER N N 386 115.101 121.821 -6.720 1 1 1742 . 8 1 1 A 176 176 GLN HA H 389 4.383 4.308 0.075 1 1 1749 . 8 1 1 A 176 176 GLN CA C 389 55.991 55.806 0.185 1 1 1750 . 8 1 1 A 176 176 GLN CB C 389 29.280 28.942 0.338 1 1 1753 . 8 1 1 A 177 177 THR H H 390 6.958 8.615 -1.657 1 1 1754 . 8 1 1 A 177 177 THR HA H 390 3.970 4.907 -0.937 1 1 1759 . 8 1 1 A 177 177 THR C C 390 172.764 174.413 -1.649 1 1 1760 . 8 1 1 A 177 177 THR CA C 390 62.221 61.222 0.999 1 1 1761 . 8 1 1 A 177 177 THR CB C 390 69.382 71.208 -1.826 1 1 1763 . 8 1 1 A 177 177 THR N N 390 115.463 116.753 -1.290 1 1 1764 . 8 1 1 A 178 178 ARG H H 391 7.873 8.330 -0.457 1 1 1765 . 8 1 1 A 178 178 ARG C C 391 174.982 174.834 0.148 1 1 1766 . 8 1 1 A 178 178 ARG CA C 391 55.266 54.706 0.560 1 1 1767 . 8 1 1 A 178 178 ARG CB C 391 31.052 31.412 -0.360 1 1 1769 . 8 1 1 A 178 178 ARG N N 391 122.116 123.547 -1.431 1 1 1770 . 8 1 1 A 179 179 TYR H H 392 8.812 8.915 -0.103 1 1 1771 . 8 1 1 A 179 179 TYR HA H 392 4.621 5.406 -0.785 1 1 1776 . 8 1 1 A 179 179 TYR C C 392 174.337 174.011 0.326 1 1 1777 . 8 1 1 A 179 179 TYR CA C 392 57.444 56.694 0.750 1 1 1778 . 8 1 1 A 179 179 TYR CB C 392 40.623 41.468 -0.845 1 1 1781 . 8 1 1 A 179 179 TYR N N 392 118.296 121.202 -2.906 1 1 1782 . 8 1 1 A 180 180 ILE H H 393 7.254 8.648 -1.394 1 1 1783 . 8 1 1 A 180 180 ILE HA H 393 4.610 4.466 0.144 1 1 1793 . 8 1 1 A 180 180 ILE C C 393 171.654 174.122 -2.468 1 1 1794 . 8 1 1 A 180 180 ILE CA C 393 56.916 58.400 -1.484 1 1 1795 . 8 1 1 A 180 180 ILE CB C 393 39.736 38.831 0.905 1 1 1799 . 8 1 1 A 180 180 ILE N N 393 108.609 128.079 -19.470 1 1 1800 . 8 1 1 A 181 181 PRO HA H 394 4.709 4.398 0.311 1 1 1807 . 8 1 1 A 181 181 PRO C C 394 173.910 177.103 -3.193 1 1 1808 . 8 1 1 A 181 181 PRO CA C 394 62.144 63.898 -1.754 1 1 1809 . 8 1 1 A 181 181 PRO CB C 394 32.527 31.887 0.640 1 1 1812 . 8 1 1 A 182 182 ASP H H 395 8.296 8.075 0.221 1 1 1813 . 8 1 1 A 182 182 ASP HA H 395 4.665 4.202 0.463 1 1 1816 . 8 1 1 A 182 182 ASP C C 395 175.120 174.995 0.125 1 1 1817 . 8 1 1 A 182 182 ASP CA C 395 52.455 55.188 -2.733 1 1 1818 . 8 1 1 A 182 182 ASP CB C 395 38.742 39.432 -0.690 1 1 1819 . 8 1 1 A 182 182 ASP N N 395 120.042 119.155 0.887 1 1 1820 . 8 1 1 A 183 183 GLU H H 396 7.651 8.114 -0.463 1 1 1821 . 8 1 1 A 183 183 GLU HA H 396 4.492 4.324 0.168 1 1 1826 . 8 1 1 A 183 183 GLU C C 396 173.702 176.903 -3.201 1 1 1827 . 8 1 1 A 183 183 GLU CA C 396 54.897 56.682 -1.785 1 1 1828 . 8 1 1 A 183 183 GLU CB C 396 32.509 30.182 2.327 1 1 1830 . 8 1 1 A 183 183 GLU N N 396 117.840 119.197 -1.357 1 1 1831 . 8 1 1 A 184 184 ALA H H 397 8.365 8.920 -0.555 1 1 1832 . 8 1 1 A 184 184 ALA HA H 397 4.394 4.360 0.034 1 1 1836 . 8 1 1 A 184 184 ALA C C 397 175.829 177.431 -1.602 1 1 1837 . 8 1 1 A 184 184 ALA CA C 397 52.770 53.211 -0.441 1 1 1838 . 8 1 1 A 184 184 ALA CB C 397 20.682 18.452 2.230 1 1 1839 . 8 1 1 A 184 184 ALA N N 397 121.613 128.009 -6.396 1 1 1840 . 8 1 1 A 185 185 ASP H H 398 7.245 8.277 -1.032 1 1 1841 . 8 1 1 A 185 185 ASP HA H 398 4.092 4.895 -0.803 1 1 1844 . 8 1 1 A 185 185 ASP C C 398 172.730 175.373 -2.643 1 1 1845 . 8 1 1 A 185 185 ASP CA C 398 56.144 53.337 2.807 1 1 1846 . 8 1 1 A 185 185 ASP CB C 398 39.841 42.155 -2.314 1 1 1847 . 8 1 1 A 185 185 ASP N N 398 105.829 115.448 -9.619 1 1 1848 . 8 1 1 A 186 186 PHE H H 399 8.467 7.283 1.184 1 1 1849 . 8 1 1 A 186 186 PHE HA H 399 5.486 4.825 0.661 1 1 1852 . 8 1 1 A 186 186 PHE C C 399 176.218 173.135 3.083 1 1 1853 . 8 1 1 A 186 186 PHE CA C 399 57.959 57.149 0.810 1 1 1854 . 8 1 1 A 186 186 PHE CB C 399 44.529 42.542 1.987 1 1 1855 . 8 1 1 A 186 186 PHE N N 399 116.177 120.029 -3.852 1 1 1856 . 8 1 1 A 187 187 LEU H H 400 8.964 8.554 0.410 1 1 1857 . 8 1 1 A 187 187 LEU HA H 400 4.963 4.720 0.243 1 1 1867 . 8 1 1 A 187 187 LEU C C 400 171.747 174.906 -3.159 1 1 1868 . 8 1 1 A 187 187 LEU CA C 400 55.422 53.790 1.632 1 1 1869 . 8 1 1 A 187 187 LEU CB C 400 45.641 44.204 1.437 1 1 1873 . 8 1 1 A 187 187 LEU N N 400 121.383 128.683 -7.300 1 1 1874 . 8 1 1 A 188 188 LEU H H 401 9.312 8.441 0.871 1 1 1875 . 8 1 1 A 188 188 LEU HA H 401 5.580 4.879 0.701 1 1 1885 . 8 1 1 A 188 188 LEU C C 401 173.853 175.051 -1.198 1 1 1886 . 8 1 1 A 188 188 LEU CA C 401 53.421 53.602 -0.181 1 1 1887 . 8 1 1 A 188 188 LEU CB C 401 45.403 44.935 0.468 1 1 1891 . 8 1 1 A 188 188 LEU N N 401 128.151 127.757 0.394 1 1 1892 . 8 1 1 A 189 189 GLY H H 402 9.415 8.884 0.531 1 1 1893 . 8 1 1 A 189 189 GLY HA2 H 402 4.670 3.989 0.681 1 1 1894 . 8 1 1 A 189 189 GLY HA3 H 402 3.663 4.004 -0.341 1 1 1895 . 8 1 1 A 189 189 GLY C C 402 171.014 172.949 -1.935 1 1 1896 . 8 1 1 A 189 189 GLY CA C 402 44.967 45.981 -1.014 1 1 1897 . 8 1 1 A 189 189 GLY N N 402 115.881 114.391 1.490 1 1 1898 . 8 1 1 A 190 190 MET H H 403 8.118 8.600 -0.482 1 1 1899 . 8 1 1 A 190 190 MET HA H 403 5.314 5.104 0.210 1 1 1907 . 8 1 1 A 190 190 MET C C 403 173.744 174.512 -0.768 1 1 1908 . 8 1 1 A 190 190 MET CA C 403 53.284 54.673 -1.389 1 1 1909 . 8 1 1 A 190 190 MET CB C 403 36.614 36.462 0.152 1 1 1912 . 8 1 1 A 190 190 MET N N 403 122.165 125.340 -3.175 1 1 1934 . 8 1 1 A 203 203 ALA H H 416 8.076 8.207 -0.131 1 1 1935 . 8 1 1 A 203 203 ALA HA H 416 4.228 4.388 -0.160 1 1 1939 . 8 1 1 A 203 203 ALA C C 416 176.895 176.276 0.619 1 1 1940 . 8 1 1 A 203 203 ALA CA C 416 52.743 51.241 1.502 1 1 1941 . 8 1 1 A 203 203 ALA CB C 416 18.723 17.358 1.365 1 1 1942 . 8 1 1 A 203 203 ALA N N 416 119.053 121.784 -2.731 1 1 1943 . 8 1 1 A 204 204 GLU H H 417 7.784 8.420 -0.636 1 1 1944 . 8 1 1 A 204 204 GLU HA H 417 4.350 4.688 -0.338 1 1 1949 . 8 1 1 A 204 204 GLU C C 417 175.678 176.100 -0.422 1 1 1950 . 8 1 1 A 204 204 GLU CA C 417 55.650 55.080 0.570 1 1 1951 . 8 1 1 A 204 204 GLU CB C 417 30.312 30.523 -0.211 1 1 1953 . 8 1 1 A 204 204 GLU N N 417 116.458 121.136 -4.678 1 1 1954 . 8 1 1 A 205 205 GLY H H 418 7.910 8.647 -0.737 1 1 1955 . 8 1 1 A 205 205 GLY CA C 418 43.804 44.028 -0.224 1 1 1956 . 8 1 1 A 205 205 GLY N N 418 108.024 111.512 -3.488 1 1 1957 . 8 1 1 A 206 206 THR H H 419 8.364 8.201 0.163 1 1 1958 . 8 1 1 A 206 206 THR HA H 419 4.316 4.250 0.066 1 1 1963 . 8 1 1 A 206 206 THR CA C 419 64.682 61.309 3.373 1 1 1964 . 8 1 1 A 206 206 THR CB C 419 69.304 70.967 -1.663 1 1 1966 . 8 1 1 A 206 206 THR N N 419 115.417 110.587 4.830 1 1 1967 . 8 1 1 A 207 207 TRP HA H 420 4.116 4.675 -0.559 1 1 1976 . 8 1 1 A 207 207 TRP CA C 420 61.178 57.120 4.058 1 1 1977 . 8 1 1 A 207 207 TRP CB C 420 28.670 30.491 -1.821 1 1 1984 . 8 1 1 A 209 209 ILE H H 422 6.744 7.823 -1.079 1 1 1985 . 8 1 1 A 209 209 ILE HA H 422 3.349 3.895 -0.546 1 1 1993 . 8 1 1 A 209 209 ILE C C 422 178.143 177.642 0.501 1 1 1994 . 8 1 1 A 209 209 ILE CA C 422 60.865 62.938 -2.073 1 1 1995 . 8 1 1 A 209 209 ILE CB C 422 34.371 37.747 -3.376 1 1 1999 . 8 1 1 A 209 209 ILE N N 422 113.211 122.552 -9.341 1 1 2000 . 8 1 1 A 210 210 GLN H H 423 8.252 8.311 -0.059 1 1 2001 . 8 1 1 A 210 210 GLN HA H 423 3.548 3.902 -0.354 1 1 2006 . 8 1 1 A 210 210 GLN C C 423 179.079 178.802 0.277 1 1 2007 . 8 1 1 A 210 210 GLN CA C 423 58.795 59.104 -0.309 1 1 2008 . 8 1 1 A 210 210 GLN CB C 423 26.704 28.540 -1.836 1 1 2010 . 8 1 1 A 210 210 GLN N N 423 116.455 122.750 -6.295 1 1 2011 . 8 1 1 A 211 211 SER H H 424 8.162 7.790 0.372 1 1 2012 . 8 1 1 A 211 211 SER HA H 424 3.961 4.263 -0.302 1 1 2015 . 8 1 1 A 211 211 SER C C 424 179.150 177.408 1.742 1 1 2016 . 8 1 1 A 211 211 SER CA C 424 61.850 61.132 0.718 1 1 2017 . 8 1 1 A 211 211 SER CB C 424 62.214 62.877 -0.663 1 1 2018 . 8 1 1 A 211 211 SER N N 424 115.041 114.902 0.139 1 1 2019 . 8 1 1 A 212 212 LEU H H 425 8.061 7.860 0.201 1 1 2020 . 8 1 1 A 212 212 LEU HA H 425 3.540 4.038 -0.498 1 1 2030 . 8 1 1 A 212 212 LEU C C 425 177.566 178.296 -0.730 1 1 2031 . 8 1 1 A 212 212 LEU CA C 425 58.548 57.897 0.651 1 1 2032 . 8 1 1 A 212 212 LEU CB C 425 41.665 41.288 0.377 1 1 2036 . 8 1 1 A 212 212 LEU N N 425 124.082 122.566 1.516 1 1 2037 . 8 1 1 A 213 213 CYS H H 426 7.940 8.696 -0.756 1 1 2038 . 8 1 1 A 213 213 CYS HA H 426 3.628 3.935 -0.307 1 1 2041 . 8 1 1 A 213 213 CYS C C 426 175.741 176.503 -0.762 1 1 2042 . 8 1 1 A 213 213 CYS CA C 426 65.159 62.612 2.547 1 1 2043 . 8 1 1 A 213 213 CYS CB C 426 49.251 26.599 22.652 1 1 2044 . 8 1 1 A 213 213 CYS N N 426 114.351 118.201 -3.850 1 1 2045 . 8 1 1 A 214 214 GLN H H 427 7.510 8.353 -0.843 1 1 2046 . 8 1 1 A 214 214 GLN HA H 427 3.772 4.063 -0.291 1 1 2051 . 8 1 1 A 214 214 GLN C C 427 177.769 177.794 -0.025 1 1 2052 . 8 1 1 A 214 214 GLN CA C 427 59.019 58.084 0.935 1 1 2053 . 8 1 1 A 214 214 GLN CB C 427 27.718 27.798 -0.080 1 1 2055 . 8 1 1 A 214 214 GLN N N 427 117.399 118.726 -1.327 1 1 2056 . 8 1 1 A 215 215 SER H H 428 7.906 7.701 0.205 1 1 2057 . 8 1 1 A 215 215 SER HA H 428 4.173 4.392 -0.219 1 1 2060 . 8 1 1 A 215 215 SER CA C 428 62.653 61.090 1.563 1 1 2061 . 8 1 1 A 215 215 SER CB C 428 62.889 62.931 -0.042 1 1 2062 . 8 1 1 A 215 215 SER N N 428 113.799 115.937 -2.138 1 1 2063 . 8 1 1 A 216 216 LEU H H 429 8.505 8.349 0.156 1 1 2064 . 8 1 1 A 216 216 LEU HA H 429 4.156 4.073 0.083 1 1 2071 . 8 1 1 A 216 216 LEU C C 429 178.848 177.527 1.321 1 1 2072 . 8 1 1 A 216 216 LEU CA C 429 58.053 57.172 0.881 1 1 2073 . 8 1 1 A 216 216 LEU CB C 429 41.222 41.323 -0.101 1 1 2076 . 8 1 1 A 216 216 LEU N N 429 121.357 118.388 2.969 1 1 2077 . 8 1 1 A 217 217 ARG H H 430 7.972 7.642 0.330 1 1 2078 . 8 1 1 A 217 217 ARG HA H 430 3.850 4.137 -0.287 1 1 2085 . 8 1 1 A 217 217 ARG C C 430 178.237 176.740 1.497 1 1 2086 . 8 1 1 A 217 217 ARG CA C 430 59.472 56.890 2.582 1 1 2087 . 8 1 1 A 217 217 ARG CB C 430 30.256 30.354 -0.098 1 1 2090 . 8 1 1 A 217 217 ARG N N 430 116.018 118.469 -2.451 1 1 2091 . 8 1 1 A 218 218 GLU H H 431 7.583 7.585 -0.002 1 1 2092 . 8 1 1 A 218 218 GLU HA H 431 4.119 4.341 -0.222 1 1 2096 . 8 1 1 A 218 218 GLU C C 431 178.377 176.499 1.878 1 1 2097 . 8 1 1 A 218 218 GLU CA C 431 58.207 55.960 2.247 1 1 2098 . 8 1 1 A 218 218 GLU CB C 431 30.548 28.789 1.759 1 1 2100 . 8 1 1 A 218 218 GLU N N 431 113.645 117.412 -3.767 1 1 2101 . 8 1 1 A 219 219 ARG H H 432 8.621 7.926 0.695 1 1 2102 . 8 1 1 A 219 219 ARG HA H 432 4.180 4.060 0.120 1 1 2103 . 8 1 1 A 219 219 ARG C C 432 178.455 175.877 2.578 1 1 2104 . 8 1 1 A 219 219 ARG CA C 432 58.428 56.805 1.623 1 1 2105 . 8 1 1 A 219 219 ARG CB C 432 30.936 28.598 2.338 1 1 2107 . 8 1 1 A 219 219 ARG N N 432 114.272 117.794 -3.522 1 1 2108 . 8 1 1 A 220 220 CYS H H 433 8.828 7.504 1.324 1 1 2109 . 8 1 1 A 220 220 CYS HA H 433 4.464 4.136 0.328 1 1 2112 . 8 1 1 A 220 220 CYS C C 433 176.708 175.554 1.154 1 1 2113 . 8 1 1 A 220 220 CYS CA C 433 66.312 63.871 2.441 1 1 2114 . 8 1 1 A 220 220 CYS CB C 433 47.095 26.221 20.874 1 1 2115 . 8 1 1 A 220 220 CYS N N 433 120.012 120.252 -0.240 1 1 2116 . 8 1 1 A 221 221 PRO HA H 434 4.463 4.663 -0.200 1 1 2123 . 8 1 1 A 221 221 PRO C C 434 177.064 176.701 0.363 1 1 2124 . 8 1 1 A 221 221 PRO CA C 434 65.717 62.528 3.189 1 1 2125 . 8 1 1 A 221 221 PRO CB C 434 31.169 31.214 -0.045 1 1 2128 . 8 1 1 A 222 222 ARG H H 435 6.904 8.618 -1.714 1 1 2129 . 8 1 1 A 222 222 ARG HA H 435 4.331 4.631 -0.300 1 1 2136 . 8 1 1 A 222 222 ARG C C 435 176.536 176.473 0.063 1 1 2137 . 8 1 1 A 222 222 ARG CA C 435 55.901 56.543 -0.642 1 1 2138 . 8 1 1 A 222 222 ARG CB C 435 30.116 33.150 -3.034 1 1 2141 . 8 1 1 A 222 222 ARG N N 435 112.486 121.741 -9.255 1 1 2142 . 8 1 1 A 223 223 GLY H H 436 8.160 7.791 0.369 1 1 2143 . 8 1 1 A 223 223 GLY HA2 H 436 4.237 4.153 0.084 1 1 2144 . 8 1 1 A 223 223 GLY HA3 H 436 3.643 4.269 -0.626 1 1 2145 . 8 1 1 A 223 223 GLY C C 436 173.338 174.385 -1.047 1 1 2146 . 8 1 1 A 223 223 GLY CA C 436 43.988 45.574 -1.586 1 1 2147 . 8 1 1 A 223 223 GLY N N 436 105.931 106.414 -0.483 1 1 2148 . 8 1 1 A 224 224 ASP H H 437 6.891 7.965 -1.074 1 1 2149 . 8 1 1 A 224 224 ASP HA H 437 4.500 4.908 -0.408 1 1 2151 . 8 1 1 A 224 224 ASP C C 437 173.806 175.028 -1.222 1 1 2152 . 8 1 1 A 224 224 ASP CA C 437 54.576 53.926 0.650 1 1 2153 . 8 1 1 A 224 224 ASP CB C 437 40.588 42.659 -2.071 1 1 2154 . 8 1 1 A 224 224 ASP N N 437 119.342 121.138 -1.796 1 1 2155 . 8 1 1 A 225 225 ASP H H 438 8.054 8.372 -0.318 1 1 2156 . 8 1 1 A 225 225 ASP HA H 438 4.912 4.958 -0.046 1 1 2159 . 8 1 1 A 225 225 ASP C C 438 175.631 177.081 -1.450 1 1 2160 . 8 1 1 A 225 225 ASP CA C 438 52.579 52.418 0.161 1 1 2161 . 8 1 1 A 225 225 ASP CB C 438 42.616 43.258 -0.642 1 1 2162 . 8 1 1 A 225 225 ASP N N 438 117.877 118.659 -0.782 1 1 2163 . 8 1 1 A 226 226 ILE H H 439 9.101 8.641 0.460 1 1 2164 . 8 1 1 A 226 226 ILE HA H 439 3.621 3.670 -0.049 1 1 2174 . 8 1 1 A 226 226 ILE C C 439 176.146 177.480 -1.334 1 1 2175 . 8 1 1 A 226 226 ILE CA C 439 62.602 64.944 -2.342 1 1 2176 . 8 1 1 A 226 226 ILE CB C 439 36.530 37.435 -0.905 1 1 2180 . 8 1 1 A 226 226 ILE N N 439 118.352 122.152 -3.800 1 1 2181 . 8 1 1 A 227 227 LEU H H 440 7.814 8.068 -0.254 1 1 2182 . 8 1 1 A 227 227 LEU HA H 440 3.918 3.935 -0.017 1 1 2192 . 8 1 1 A 227 227 LEU C C 440 179.397 178.551 0.846 1 1 2193 . 8 1 1 A 227 227 LEU CA C 440 58.566 57.942 0.624 1 1 2194 . 8 1 1 A 227 227 LEU CB C 440 40.819 41.726 -0.907 1 1 2198 . 8 1 1 A 227 227 LEU N N 440 119.906 120.893 -0.987 1 1 2199 . 8 1 1 A 228 228 THR H H 441 7.665 8.085 -0.420 1 1 2200 . 8 1 1 A 228 228 THR HA H 441 4.289 3.957 0.332 1 1 2205 . 8 1 1 A 228 228 THR C C 441 179.489 176.670 2.819 1 1 2206 . 8 1 1 A 228 228 THR CA C 441 61.837 64.866 -3.029 1 1 2207 . 8 1 1 A 228 228 THR CB C 441 69.979 69.034 0.945 1 1 2209 . 8 1 1 A 228 228 THR N N 441 120.011 109.931 10.080 1 1 2210 . 8 1 1 A 229 229 ILE H H 442 7.807 7.685 0.122 1 1 2211 . 8 1 1 A 229 229 ILE HA H 442 3.300 3.510 -0.210 1 1 2221 . 8 1 1 A 229 229 ILE C C 442 177.728 177.458 0.270 1 1 2222 . 8 1 1 A 229 229 ILE CA C 442 66.069 65.198 0.871 1 1 2223 . 8 1 1 A 229 229 ILE CB C 442 38.260 37.788 0.472 1 1 2227 . 8 1 1 A 229 229 ILE N N 442 119.411 122.969 -3.558 1 1 2228 . 8 1 1 A 230 230 LEU H H 443 8.530 7.741 0.789 1 1 2229 . 8 1 1 A 230 230 LEU HA H 443 3.958 4.087 -0.129 1 1 2239 . 8 1 1 A 230 230 LEU C C 443 178.689 177.185 1.504 1 1 2240 . 8 1 1 A 230 230 LEU CA C 443 57.697 56.965 0.732 1 1 2241 . 8 1 1 A 230 230 LEU CB C 443 42.191 41.763 0.428 1 1 2245 . 8 1 1 A 230 230 LEU N N 443 116.186 119.278 -3.092 1 1 2246 . 8 1 1 A 231 231 THR H H 444 8.008 7.605 0.403 1 1 2247 . 8 1 1 A 231 231 THR HA H 444 4.153 4.542 -0.389 1 1 2252 . 8 1 1 A 231 231 THR C C 444 175.208 175.181 0.027 1 1 2253 . 8 1 1 A 231 231 THR CA C 444 65.327 60.719 4.608 1 1 2254 . 8 1 1 A 231 231 THR CB C 444 69.718 69.059 0.659 1 1 2256 . 8 1 1 A 231 231 THR N N 444 112.075 113.402 -1.327 1 1 2257 . 8 1 1 A 232 232 GLU H H 445 7.717 8.326 -0.609 1 1 2258 . 8 1 1 A 232 232 GLU HA H 445 4.186 4.031 0.155 1 1 2259 . 8 1 1 A 232 232 GLU C C 445 177.156 177.514 -0.358 1 1 2260 . 8 1 1 A 232 232 GLU CA C 445 57.891 58.726 -0.835 1 1 2261 . 8 1 1 A 232 232 GLU CB C 445 28.836 28.540 0.296 1 1 2263 . 8 1 1 A 232 232 GLU N N 445 120.074 120.396 -0.322 1 1 2294 . 8 1 1 A 252 252 GLN H H 465 8.586 7.741 0.845 1 1 2295 . 8 1 1 A 252 252 GLN HA H 465 4.689 4.388 0.301 1 1 2296 . 8 1 1 A 252 252 GLN C C 465 174.446 174.662 -0.216 1 1 2297 . 8 1 1 A 252 252 GLN CA C 465 53.682 54.293 -0.611 1 1 2298 . 8 1 1 A 252 252 GLN CB C 465 28.537 29.528 -0.991 1 1 2300 . 8 1 1 A 252 252 GLN N N 465 121.782 119.045 2.737 1 1 2301 . 8 1 1 A 253 253 PRO HA H 466 4.902 4.833 0.069 1 1 2302 . 8 1 1 A 253 253 PRO C C 466 174.937 175.918 -0.981 1 1 2303 . 8 1 1 A 253 253 PRO CA C 466 63.075 62.847 0.228 1 1 2304 . 8 1 1 A 253 253 PRO CB C 466 32.384 32.228 0.156 1 1 2307 . 8 1 1 A 254 254 THR H H 467 8.556 8.105 0.451 1 1 2308 . 8 1 1 A 254 254 THR HA H 467 4.659 4.490 0.169 1 1 2313 . 8 1 1 A 254 254 THR C C 467 172.995 173.936 -0.941 1 1 2314 . 8 1 1 A 254 254 THR CA C 467 61.740 61.444 0.296 1 1 2315 . 8 1 1 A 254 254 THR CB C 467 70.195 67.080 3.115 1 1 2317 . 8 1 1 A 254 254 THR N N 467 115.754 116.910 -1.156 1 1 2318 . 8 1 1 A 255 255 PHE H H 468 8.560 8.086 0.474 1 1 2319 . 8 1 1 A 255 255 PHE HA H 468 5.502 5.467 0.035 1 1 2322 . 8 1 1 A 255 255 PHE C C 468 173.198 174.688 -1.490 1 1 2323 . 8 1 1 A 255 255 PHE CA C 468 56.283 55.621 0.662 1 1 2324 . 8 1 1 A 255 255 PHE CB C 468 43.426 40.703 2.723 1 1 2325 . 8 1 1 A 255 255 PHE N N 468 120.481 123.409 -2.928 1 1 2326 . 8 1 1 A 256 256 THR H H 469 9.702 8.643 1.059 1 1 2327 . 8 1 1 A 256 256 THR HA H 469 4.662 5.186 -0.524 1 1 2332 . 8 1 1 A 256 256 THR C C 469 176.561 173.325 3.236 1 1 2333 . 8 1 1 A 256 256 THR CA C 469 59.948 60.755 -0.807 1 1 2334 . 8 1 1 A 256 256 THR CB C 469 69.145 71.373 -2.228 1 1 2336 . 8 1 1 A 256 256 THR N N 469 108.601 114.502 -5.901 1 1 2337 . 8 1 1 A 257 257 LEU H H 470 7.235 8.725 -1.490 1 1 2338 . 8 1 1 A 257 257 LEU HA H 470 4.401 4.973 -0.572 1 1 2348 . 8 1 1 A 257 257 LEU C C 470 175.975 176.621 -0.646 1 1 2349 . 8 1 1 A 257 257 LEU CA C 470 55.492 53.533 1.959 1 1 2350 . 8 1 1 A 257 257 LEU CB C 470 41.850 46.169 -4.319 1 1 2354 . 8 1 1 A 257 257 LEU N N 470 120.802 124.197 -3.395 1 1 2355 . 8 1 1 A 258 258 ARG H H 471 8.228 8.906 -0.678 1 1 2356 . 8 1 1 A 258 258 ARG HA H 471 4.631 4.320 0.311 1 1 2363 . 8 1 1 A 258 258 ARG C C 471 174.114 176.250 -2.136 1 1 2364 . 8 1 1 A 258 258 ARG CA C 471 55.071 57.199 -2.128 1 1 2365 . 8 1 1 A 258 258 ARG CB C 471 32.470 30.979 1.491 1 1 2368 . 8 1 1 A 258 258 ARG N N 471 118.883 120.408 -1.525 1 1 2369 . 8 1 1 A 259 259 LYS H H 472 7.217 7.620 -0.403 1 1 2370 . 8 1 1 A 259 259 LYS HA H 472 4.260 4.876 -0.616 1 1 2379 . 8 1 1 A 259 259 LYS C C 472 174.571 174.595 -0.024 1 1 2380 . 8 1 1 A 259 259 LYS CA C 472 53.269 54.428 -1.159 1 1 2381 . 8 1 1 A 259 259 LYS CB C 472 36.332 35.606 0.726 1 1 2385 . 8 1 1 A 259 259 LYS N N 472 116.031 115.695 0.336 1 1 2386 . 8 1 1 A 260 260 LYS H H 473 8.357 8.467 -0.110 1 1 2387 . 8 1 1 A 260 260 LYS HA H 473 4.297 4.503 -0.206 1 1 2396 . 8 1 1 A 260 260 LYS C C 473 174.137 175.449 -1.312 1 1 2397 . 8 1 1 A 260 260 LYS CA C 473 57.258 55.962 1.296 1 1 2398 . 8 1 1 A 260 260 LYS CB C 473 33.561 33.180 0.381 1 1 2402 . 8 1 1 A 260 260 LYS N N 473 119.377 122.591 -3.214 1 1 2403 . 8 1 1 A 261 261 LEU H H 474 9.288 9.044 0.244 1 1 2404 . 8 1 1 A 261 261 LEU HA H 474 5.048 4.640 0.408 1 1 2414 . 8 1 1 A 261 261 LEU C C 474 172.558 175.157 -2.599 1 1 2415 . 8 1 1 A 261 261 LEU CA C 474 53.327 54.288 -0.961 1 1 2416 . 8 1 1 A 261 261 LEU CB C 474 44.313 41.019 3.294 1 1 2420 . 8 1 1 A 261 261 LEU N N 474 126.482 129.396 -2.914 1 1 2421 . 8 1 1 A 262 262 VAL H H 475 8.876 8.105 0.771 1 1 2422 . 8 1 1 A 262 262 VAL HA H 475 4.238 4.547 -0.309 1 1 2430 . 8 1 1 A 262 262 VAL C C 475 174.243 175.481 -1.238 1 1 2431 . 8 1 1 A 262 262 VAL CA C 475 59.734 62.089 -2.355 1 1 2432 . 8 1 1 A 262 262 VAL CB C 475 34.790 32.232 2.558 1 1 2435 . 8 1 1 A 262 262 VAL N N 475 124.316 125.839 -1.523 1 1 2436 . 8 1 1 A 263 263 PHE H H 476 8.826 8.745 0.081 1 1 2437 . 8 1 1 A 263 263 PHE HA H 476 5.518 5.194 0.324 1 1 2443 . 8 1 1 A 263 263 PHE C C 476 171.887 173.471 -1.584 1 1 2444 . 8 1 1 A 263 263 PHE CA C 476 52.082 54.907 -2.825 1 1 2445 . 8 1 1 A 263 263 PHE CB C 476 39.792 39.668 0.124 1 1 2449 . 8 1 1 A 263 263 PHE N N 476 122.867 125.925 -3.058 1 1 2450 . 8 1 1 A 264 264 PRO HA H 477 4.649 4.756 -0.107 1 1 2457 . 8 1 1 A 264 264 PRO C C 477 178.322 177.284 1.038 1 1 2458 . 8 1 1 A 264 264 PRO CA C 477 62.333 62.605 -0.272 1 1 2459 . 8 1 1 A 264 264 PRO CB C 477 32.553 33.320 -0.767 1 1 2462 . 8 1 1 A 265 265 SER H H 478 8.763 8.923 -0.160 1 1 2463 . 8 1 1 A 265 265 SER HA H 478 4.494 4.332 0.162 1 1 2466 . 8 1 1 A 265 265 SER C C 478 173.725 175.915 -2.190 1 1 2467 . 8 1 1 A 265 265 SER CA C 478 59.060 61.234 -2.174 1 1 2468 . 8 1 1 A 265 265 SER CB C 478 64.038 62.974 1.064 1 1 2469 . 8 1 1 A 265 265 SER N N 478 116.725 117.116 -0.391 1 1 17 . 9 1 1 A 12 12 VAL H H 225 7.819 7.756 0.063 1 1 18 . 9 1 1 A 12 12 VAL HA H 225 4.946 4.335 0.611 1 1 26 . 9 1 1 A 12 12 VAL C C 225 175.898 174.851 1.047 1 1 27 . 9 1 1 A 12 12 VAL CA C 225 59.650 60.769 -1.119 1 1 28 . 9 1 1 A 12 12 VAL CB C 225 35.296 34.780 0.516 1 1 31 . 9 1 1 A 12 12 VAL N N 225 117.637 117.648 -0.011 1 1 32 . 9 1 1 A 13 13 TYR H H 226 8.318 9.021 -0.703 1 1 33 . 9 1 1 A 13 13 TYR HA H 226 4.291 4.209 0.082 1 1 36 . 9 1 1 A 13 13 TYR C C 226 176.911 175.841 1.070 1 1 37 . 9 1 1 A 13 13 TYR CA C 226 60.063 58.837 1.226 1 1 38 . 9 1 1 A 13 13 TYR CB C 226 37.843 37.470 0.373 1 1 39 . 9 1 1 A 13 13 TYR N N 226 122.976 127.378 -4.402 1 1 40 . 9 1 1 A 14 14 GLN H H 227 9.128 7.953 1.175 1 1 41 . 9 1 1 A 14 14 GLN HA H 227 3.996 4.248 -0.252 1 1 46 . 9 1 1 A 14 14 GLN C C 227 175.052 176.261 -1.209 1 1 47 . 9 1 1 A 14 14 GLN CA C 227 57.421 58.283 -0.862 1 1 48 . 9 1 1 A 14 14 GLN CB C 227 29.550 28.884 0.666 1 1 50 . 9 1 1 A 14 14 GLN N N 227 124.676 119.411 5.265 1 1 51 . 9 1 1 A 15 15 MET H H 228 8.465 7.705 0.760 1 1 52 . 9 1 1 A 15 15 MET HA H 228 5.210 4.459 0.751 1 1 60 . 9 1 1 A 15 15 MET C C 228 172.979 175.014 -2.035 1 1 61 . 9 1 1 A 15 15 MET CA C 228 52.955 54.992 -2.037 1 1 62 . 9 1 1 A 15 15 MET CB C 228 30.751 31.955 -1.204 1 1 65 . 9 1 1 A 15 15 MET N N 228 128.835 120.133 8.702 1 1 66 . 9 1 1 A 16 16 LYS H H 229 9.119 8.644 0.475 1 1 67 . 9 1 1 A 16 16 LYS HA H 229 4.558 4.836 -0.278 1 1 76 . 9 1 1 A 16 16 LYS C C 229 176.209 174.698 1.511 1 1 77 . 9 1 1 A 16 16 LYS CA C 229 55.916 55.310 0.606 1 1 78 . 9 1 1 A 16 16 LYS CB C 229 35.555 33.247 2.308 1 1 82 . 9 1 1 A 16 16 LYS N N 229 120.235 127.621 -7.386 1 1 83 . 9 1 1 A 17 17 SER H H 230 9.101 8.674 0.427 1 1 84 . 9 1 1 A 17 17 SER HA H 230 4.077 4.860 -0.783 1 1 87 . 9 1 1 A 17 17 SER C C 230 172.995 171.818 1.177 1 1 88 . 9 1 1 A 17 17 SER CA C 230 59.615 57.354 2.261 1 1 89 . 9 1 1 A 17 17 SER CB C 230 64.482 66.058 -1.576 1 1 90 . 9 1 1 A 17 17 SER N N 230 121.500 117.738 3.762 1 1 91 . 9 1 1 A 18 18 LYS H H 231 8.120 8.706 -0.586 1 1 92 . 9 1 1 A 18 18 LYS HA H 231 4.373 4.994 -0.621 1 1 101 . 9 1 1 A 18 18 LYS C C 231 173.565 174.973 -1.408 1 1 102 . 9 1 1 A 18 18 LYS CA C 231 53.231 52.765 0.466 1 1 103 . 9 1 1 A 18 18 LYS CB C 231 34.596 33.607 0.989 1 1 107 . 9 1 1 A 18 18 LYS N N 231 120.561 121.585 -1.024 1 1 108 . 9 1 1 A 19 19 PRO HA H 232 4.898 4.768 0.130 1 1 115 . 9 1 1 A 19 19 PRO C C 232 176.162 177.038 -0.876 1 1 116 . 9 1 1 A 19 19 PRO CA C 232 62.838 62.758 0.080 1 1 117 . 9 1 1 A 19 19 PRO CB C 232 34.997 33.611 1.386 1 1 120 . 9 1 1 A 20 20 ARG H H 233 8.782 8.851 -0.069 1 1 121 . 9 1 1 A 20 20 ARG HA H 233 3.651 4.718 -1.067 1 1 122 . 9 1 1 A 20 20 ARG C C 233 175.210 177.210 -2.000 1 1 123 . 9 1 1 A 20 20 ARG CA C 233 56.621 55.205 1.416 1 1 124 . 9 1 1 A 20 20 ARG CB C 233 30.581 32.027 -1.446 1 1 127 . 9 1 1 A 20 20 ARG N N 233 118.785 120.524 -1.739 1 1 128 . 9 1 1 A 21 21 GLY H H 234 6.490 8.344 -1.854 1 1 129 . 9 1 1 A 21 21 GLY HA2 H 234 4.312 3.652 0.660 1 1 130 . 9 1 1 A 21 21 GLY HA3 H 234 4.662 4.121 0.541 1 1 131 . 9 1 1 A 21 21 GLY C C 234 172.012 174.662 -2.650 1 1 132 . 9 1 1 A 21 21 GLY CA C 234 43.743 46.906 -3.163 1 1 133 . 9 1 1 A 21 21 GLY N N 234 128.529 108.299 20.230 1 1 134 . 9 1 1 A 22 22 TYR H H 235 9.327 8.367 0.960 1 1 135 . 9 1 1 A 22 22 TYR HA H 235 5.260 4.086 1.174 1 1 140 . 9 1 1 A 22 22 TYR C C 235 173.931 174.347 -0.416 1 1 141 . 9 1 1 A 22 22 TYR CA C 235 58.287 58.389 -0.102 1 1 142 . 9 1 1 A 22 22 TYR CB C 235 39.762 35.660 4.102 1 1 145 . 9 1 1 A 22 22 TYR N N 235 119.429 116.112 3.317 1 1 146 . 9 1 1 A 23 23 CYS H H 236 8.665 7.528 1.137 1 1 147 . 9 1 1 A 23 23 CYS HA H 236 4.928 4.312 0.616 1 1 148 . 9 1 1 A 23 23 CYS C C 236 172.970 174.573 -1.603 1 1 149 . 9 1 1 A 23 23 CYS CA C 236 55.636 59.504 -3.868 1 1 150 . 9 1 1 A 23 23 CYS CB C 236 50.040 28.664 21.376 1 1 151 . 9 1 1 A 23 23 CYS N N 236 120.485 117.370 3.115 1 1 152 . 9 1 1 A 24 24 LEU H H 237 8.619 8.376 0.243 1 1 153 . 9 1 1 A 24 24 LEU HA H 237 4.691 5.181 -0.490 1 1 163 . 9 1 1 A 24 24 LEU C C 237 175.850 176.076 -0.226 1 1 164 . 9 1 1 A 24 24 LEU CA C 237 54.053 53.306 0.747 1 1 165 . 9 1 1 A 24 24 LEU CB C 237 44.117 43.778 0.339 1 1 169 . 9 1 1 A 24 24 LEU N N 237 129.465 124.594 4.871 1 1 170 . 9 1 1 A 25 25 ILE H H 238 8.304 8.927 -0.623 1 1 171 . 9 1 1 A 25 25 ILE HA H 238 4.639 4.816 -0.177 1 1 179 . 9 1 1 A 25 25 ILE C C 238 174.032 174.843 -0.811 1 1 180 . 9 1 1 A 25 25 ILE CA C 238 60.879 60.357 0.522 1 1 181 . 9 1 1 A 25 25 ILE CB C 238 41.165 41.822 -0.657 1 1 185 . 9 1 1 A 25 25 ILE N N 238 122.597 123.812 -1.215 1 1 186 . 9 1 1 A 26 26 ILE H H 239 9.025 8.940 0.085 1 1 187 . 9 1 1 A 26 26 ILE HA H 239 4.778 4.674 0.104 1 1 197 . 9 1 1 A 26 26 ILE C C 239 173.104 174.429 -1.325 1 1 198 . 9 1 1 A 26 26 ILE CA C 239 60.733 60.531 0.202 1 1 199 . 9 1 1 A 26 26 ILE CB C 239 38.237 38.353 -0.116 1 1 203 . 9 1 1 A 26 26 ILE N N 239 129.303 127.722 1.581 1 1 204 . 9 1 1 A 27 27 ASN H H 240 8.957 9.189 -0.232 1 1 205 . 9 1 1 A 27 27 ASN HA H 240 5.174 4.911 0.263 1 1 208 . 9 1 1 A 27 27 ASN C C 240 172.948 174.693 -1.745 1 1 209 . 9 1 1 A 27 27 ASN CA C 240 52.055 52.498 -0.443 1 1 210 . 9 1 1 A 27 27 ASN CB C 240 40.530 38.356 2.174 1 1 211 . 9 1 1 A 27 27 ASN N N 240 125.494 127.431 -1.937 1 1 212 . 9 1 1 A 28 28 ASN H H 241 9.118 8.207 0.911 1 1 213 . 9 1 1 A 28 28 ASN HA H 241 5.106 4.698 0.408 1 1 216 . 9 1 1 A 28 28 ASN C C 241 172.184 175.237 -3.053 1 1 217 . 9 1 1 A 28 28 ASN CA C 241 52.599 54.148 -1.549 1 1 218 . 9 1 1 A 28 28 ASN CB C 241 38.296 38.380 -0.084 1 1 219 . 9 1 1 A 28 28 ASN N N 241 125.089 125.225 -0.136 1 1 220 . 9 1 1 A 29 29 HIS H H 242 9.512 8.836 0.676 1 1 221 . 9 1 1 A 29 29 HIS HA H 242 4.384 4.737 -0.353 1 1 224 . 9 1 1 A 29 29 HIS C C 242 173.519 175.947 -2.428 1 1 225 . 9 1 1 A 29 29 HIS CA C 242 59.174 57.295 1.879 1 1 226 . 9 1 1 A 29 29 HIS CB C 242 28.022 32.155 -4.133 1 1 227 . 9 1 1 A 29 29 HIS N N 242 125.634 122.940 2.694 1 1 228 . 9 1 1 A 30 30 ASN H H 243 8.623 8.197 0.426 1 1 229 . 9 1 1 A 30 30 ASN HA H 243 4.148 4.554 -0.406 1 1 234 . 9 1 1 A 30 30 ASN C C 243 175.052 175.969 -0.917 1 1 235 . 9 1 1 A 30 30 ASN CA C 243 53.229 53.354 -0.125 1 1 236 . 9 1 1 A 30 30 ASN CB C 243 38.980 38.652 0.328 1 1 237 . 9 1 1 A 30 30 ASN N N 243 119.059 117.346 1.713 1 1 239 . 9 1 1 A 31 31 PHE H H 244 8.676 7.811 0.865 1 1 240 . 9 1 1 A 31 31 PHE HA H 244 4.686 4.572 0.114 1 1 243 . 9 1 1 A 31 31 PHE C C 244 174.399 176.504 -2.105 1 1 244 . 9 1 1 A 31 31 PHE CA C 244 57.688 58.180 -0.492 1 1 245 . 9 1 1 A 31 31 PHE CB C 244 39.026 38.002 1.024 1 1 246 . 9 1 1 A 31 31 PHE N N 244 124.091 120.767 3.324 1 1 247 . 9 1 1 A 32 32 ALA H H 245 8.244 8.059 0.185 1 1 248 . 9 1 1 A 32 32 ALA HA H 245 3.869 3.881 -0.012 1 1 252 . 9 1 1 A 32 32 ALA C C 245 180.452 179.992 0.460 1 1 253 . 9 1 1 A 32 32 ALA CA C 245 56.274 55.288 0.986 1 1 254 . 9 1 1 A 32 32 ALA CB C 245 18.181 18.412 -0.231 1 1 255 . 9 1 1 A 32 32 ALA N N 245 122.713 122.948 -0.235 1 1 256 . 9 1 1 A 33 33 LYS H H 246 8.964 7.995 0.969 1 1 257 . 9 1 1 A 33 33 LYS HA H 246 4.089 3.960 0.129 1 1 266 . 9 1 1 A 33 33 LYS C C 246 177.441 179.317 -1.876 1 1 267 . 9 1 1 A 33 33 LYS CA C 246 58.632 58.856 -0.224 1 1 268 . 9 1 1 A 33 33 LYS CB C 246 30.418 31.717 -1.299 1 1 272 . 9 1 1 A 33 33 LYS N N 246 116.888 117.444 -0.556 1 1 273 . 9 1 1 A 34 34 ALA H H 247 7.088 8.203 -1.115 1 1 274 . 9 1 1 A 34 34 ALA HA H 247 3.752 3.729 0.023 1 1 278 . 9 1 1 A 34 34 ALA C C 247 177.581 179.515 -1.934 1 1 279 . 9 1 1 A 34 34 ALA CA C 247 55.502 54.506 0.996 1 1 280 . 9 1 1 A 34 34 ALA CB C 247 18.099 18.161 -0.062 1 1 281 . 9 1 1 A 34 34 ALA N N 247 122.047 121.319 0.728 1 1 282 . 9 1 1 A 35 35 ARG H H 248 7.706 8.112 -0.406 1 1 283 . 9 1 1 A 35 35 ARG HA H 248 4.338 3.781 0.557 1 1 292 . 9 1 1 A 35 35 ARG C C 248 179.094 178.191 0.903 1 1 293 . 9 1 1 A 35 35 ARG CA C 248 56.283 58.727 -2.444 1 1 294 . 9 1 1 A 35 35 ARG CB C 248 30.668 29.617 1.051 1 1 297 . 9 1 1 A 35 35 ARG N N 248 112.008 117.214 -5.206 1 1 299 . 9 1 1 A 36 36 GLU H H 249 7.707 7.699 0.008 1 1 300 . 9 1 1 A 36 36 GLU HA H 249 4.121 3.983 0.138 1 1 305 . 9 1 1 A 36 36 GLU C C 249 178.205 179.119 -0.914 1 1 306 . 9 1 1 A 36 36 GLU CA C 249 58.194 59.165 -0.971 1 1 307 . 9 1 1 A 36 36 GLU CB C 249 30.596 29.370 1.226 1 1 309 . 9 1 1 A 36 36 GLU N N 249 116.945 119.664 -2.719 1 1 310 . 9 1 1 A 37 37 LYS H H 250 7.954 7.862 0.092 1 1 311 . 9 1 1 A 37 37 LYS HA H 250 4.381 4.223 0.158 1 1 320 . 9 1 1 A 37 37 LYS C C 250 176.772 177.603 -0.831 1 1 321 . 9 1 1 A 37 37 LYS CA C 250 57.323 58.328 -1.005 1 1 322 . 9 1 1 A 37 37 LYS CB C 250 34.892 33.050 1.842 1 1 326 . 9 1 1 A 37 37 LYS N N 250 114.798 119.352 -4.554 1 1 327 . 9 1 1 A 38 38 VAL H H 251 8.298 8.121 0.177 1 1 328 . 9 1 1 A 38 38 VAL HA H 251 4.582 4.481 0.101 1 1 336 . 9 1 1 A 38 38 VAL C C 251 174.903 175.141 -0.238 1 1 337 . 9 1 1 A 38 38 VAL CA C 251 60.316 59.214 1.102 1 1 338 . 9 1 1 A 38 38 VAL CB C 251 32.374 31.835 0.539 1 1 341 . 9 1 1 A 38 38 VAL N N 251 120.907 114.098 6.809 1 1 342 . 9 1 1 A 40 40 LYS H H 253 8.588 8.691 -0.103 1 1 343 . 9 1 1 A 40 40 LYS HA H 253 4.275 4.203 0.072 1 1 352 . 9 1 1 A 40 40 LYS C C 253 176.447 177.142 -0.695 1 1 353 . 9 1 1 A 40 40 LYS CA C 253 58.550 57.561 0.989 1 1 354 . 9 1 1 A 40 40 LYS CB C 253 31.568 31.427 0.141 1 1 358 . 9 1 1 A 40 40 LYS N N 253 113.861 115.944 -2.083 1 1 359 . 9 1 1 A 41 41 LEU H H 254 7.948 7.736 0.212 1 1 360 . 9 1 1 A 41 41 LEU HA H 254 4.391 4.515 -0.124 1 1 370 . 9 1 1 A 41 41 LEU C C 254 175.989 176.915 -0.926 1 1 371 . 9 1 1 A 41 41 LEU CA C 254 53.279 53.938 -0.659 1 1 372 . 9 1 1 A 41 41 LEU CB C 254 40.369 41.037 -0.668 1 1 376 . 9 1 1 A 41 41 LEU N N 254 118.998 119.139 -0.141 1 1 377 . 9 1 1 A 42 42 HIS H H 255 7.167 7.967 -0.800 1 1 378 . 9 1 1 A 42 42 HIS HA H 255 4.376 4.672 -0.296 1 1 382 . 9 1 1 A 42 42 HIS C C 255 174.836 176.344 -1.508 1 1 383 . 9 1 1 A 42 42 HIS CA C 255 59.188 56.912 2.276 1 1 384 . 9 1 1 A 42 42 HIS CB C 255 30.311 31.518 -1.207 1 1 386 . 9 1 1 A 42 42 HIS N N 255 116.251 118.544 -2.293 1 1 387 . 9 1 1 A 43 43 SER H H 256 7.735 7.716 0.019 1 1 388 . 9 1 1 A 43 43 SER HA H 256 4.490 4.512 -0.022 1 1 391 . 9 1 1 A 43 43 SER C C 256 174.045 173.968 0.077 1 1 392 . 9 1 1 A 43 43 SER CA C 256 56.420 58.314 -1.894 1 1 393 . 9 1 1 A 43 43 SER CB C 256 64.093 63.189 0.904 1 1 394 . 9 1 1 A 43 43 SER N N 256 110.725 112.411 -1.686 1 1 395 . 9 1 1 A 44 44 ILE H H 257 7.403 7.363 0.040 1 1 396 . 9 1 1 A 44 44 ILE HA H 257 3.806 4.198 -0.392 1 1 406 . 9 1 1 A 44 44 ILE C C 257 174.321 175.704 -1.383 1 1 407 . 9 1 1 A 44 44 ILE CA C 257 61.640 60.023 1.617 1 1 408 . 9 1 1 A 44 44 ILE CB C 257 38.324 39.406 -1.082 1 1 412 . 9 1 1 A 44 44 ILE N N 257 124.717 119.181 5.536 1 1 413 . 9 1 1 A 45 45 ARG H H 258 8.043 8.788 -0.745 1 1 414 . 9 1 1 A 45 45 ARG HA H 258 4.201 3.872 0.329 1 1 421 . 9 1 1 A 45 45 ARG C C 258 177.535 174.936 2.599 1 1 422 . 9 1 1 A 45 45 ARG CA C 258 55.412 57.562 -2.150 1 1 423 . 9 1 1 A 45 45 ARG CB C 258 31.546 28.047 3.499 1 1 426 . 9 1 1 A 45 45 ARG N N 258 124.319 119.230 5.089 1 1 427 . 9 1 1 A 46 46 ASP H H 259 8.584 8.180 0.404 1 1 428 . 9 1 1 A 46 46 ASP HA H 259 5.096 4.839 0.257 1 1 431 . 9 1 1 A 46 46 ASP C C 259 177.819 177.263 0.556 1 1 432 . 9 1 1 A 46 46 ASP CA C 259 55.248 52.930 2.318 1 1 433 . 9 1 1 A 46 46 ASP CB C 259 39.614 38.835 0.779 1 1 434 . 9 1 1 A 46 46 ASP N N 259 120.371 119.522 0.849 1 1 435 . 9 1 1 A 47 47 ARG H H 260 8.632 8.607 0.025 1 1 442 . 9 1 1 A 47 47 ARG CA C 260 56.228 58.860 -2.632 1 1 443 . 9 1 1 A 47 47 ARG CB C 260 26.981 29.558 -2.577 1 1 445 . 9 1 1 A 47 47 ARG N N 260 123.120 122.519 0.601 1 1 447 . 9 1 1 A 51 51 HIS HA H 264 4.293 4.771 -0.478 1 1 451 . 9 1 1 A 51 51 HIS C C 264 178.002 176.167 1.835 1 1 452 . 9 1 1 A 51 51 HIS CA C 264 60.062 55.881 4.181 1 1 453 . 9 1 1 A 51 51 HIS CB C 264 29.109 31.366 -2.257 1 1 455 . 9 1 1 A 52 52 LEU H H 265 7.474 7.903 -0.429 1 1 456 . 9 1 1 A 52 52 LEU HA H 265 4.125 3.906 0.219 1 1 466 . 9 1 1 A 52 52 LEU C C 265 180.623 176.244 4.379 1 1 467 . 9 1 1 A 52 52 LEU CA C 265 56.921 56.347 0.574 1 1 468 . 9 1 1 A 52 52 LEU CB C 265 40.572 40.099 0.473 1 1 472 . 9 1 1 A 52 52 LEU N N 265 122.692 116.917 5.775 1 1 473 . 9 1 1 A 53 53 ASP H H 266 6.993 8.581 -1.588 1 1 474 . 9 1 1 A 53 53 ASP C C 266 176.536 176.454 0.082 1 1 475 . 9 1 1 A 53 53 ASP CA C 266 56.718 55.349 1.369 1 1 476 . 9 1 1 A 53 53 ASP CB C 266 39.787 39.720 0.067 1 1 477 . 9 1 1 A 53 53 ASP N N 266 122.192 117.552 4.640 1 1 478 . 9 1 1 A 54 54 ALA H H 267 8.217 8.269 -0.052 1 1 479 . 9 1 1 A 54 54 ALA HA H 267 3.840 4.061 -0.221 1 1 483 . 9 1 1 A 54 54 ALA C C 267 180.507 180.157 0.350 1 1 484 . 9 1 1 A 54 54 ALA CA C 267 55.836 55.025 0.811 1 1 485 . 9 1 1 A 54 54 ALA CB C 267 17.386 18.897 -1.511 1 1 486 . 9 1 1 A 54 54 ALA N N 267 121.612 120.761 0.851 1 1 487 . 9 1 1 A 55 55 GLY H H 268 8.481 8.325 0.156 1 1 488 . 9 1 1 A 55 55 GLY C C 268 174.929 176.350 -1.421 1 1 489 . 9 1 1 A 55 55 GLY CA C 268 46.546 46.872 -0.326 1 1 490 . 9 1 1 A 55 55 GLY N N 268 107.453 107.202 0.251 1 1 491 . 9 1 1 A 56 56 ALA H H 269 7.759 8.037 -0.278 1 1 492 . 9 1 1 A 56 56 ALA HA H 269 4.190 4.003 0.187 1 1 496 . 9 1 1 A 56 56 ALA C C 269 180.493 180.434 0.059 1 1 497 . 9 1 1 A 56 56 ALA CA C 269 55.311 54.612 0.699 1 1 498 . 9 1 1 A 56 56 ALA CB C 269 17.951 18.625 -0.674 1 1 499 . 9 1 1 A 56 56 ALA N N 269 125.518 124.513 1.005 1 1 500 . 9 1 1 A 57 57 LEU H H 270 8.224 7.891 0.333 1 1 501 . 9 1 1 A 57 57 LEU HA H 270 3.840 4.061 -0.221 1 1 506 . 9 1 1 A 57 57 LEU C C 270 177.499 179.531 -2.032 1 1 507 . 9 1 1 A 57 57 LEU CA C 270 58.315 57.825 0.490 1 1 508 . 9 1 1 A 57 57 LEU CB C 270 43.182 41.644 1.538 1 1 511 . 9 1 1 A 57 57 LEU N N 270 121.610 119.581 2.029 1 1 512 . 9 1 1 A 58 58 THR H H 271 7.976 7.710 0.266 1 1 513 . 9 1 1 A 58 58 THR HA H 271 4.432 3.938 0.494 1 1 518 . 9 1 1 A 58 58 THR C C 271 174.457 176.329 -1.872 1 1 519 . 9 1 1 A 58 58 THR CA C 271 68.788 66.749 2.039 1 1 520 . 9 1 1 A 58 58 THR CB C 271 67.557 68.526 -0.969 1 1 522 . 9 1 1 A 58 58 THR N N 271 115.528 115.846 -0.318 1 1 523 . 9 1 1 A 59 59 THR H H 272 8.085 8.761 -0.676 1 1 524 . 9 1 1 A 59 59 THR HA H 272 3.911 4.052 -0.141 1 1 529 . 9 1 1 A 59 59 THR C C 272 176.131 177.297 -1.166 1 1 530 . 9 1 1 A 59 59 THR CA C 272 65.908 65.154 0.754 1 1 531 . 9 1 1 A 59 59 THR CB C 272 69.045 68.913 0.132 1 1 533 . 9 1 1 A 59 59 THR N N 272 114.864 114.161 0.703 1 1 534 . 9 1 1 A 60 60 THR H H 273 7.875 8.178 -0.303 1 1 535 . 9 1 1 A 60 60 THR HA H 273 3.423 3.975 -0.552 1 1 540 . 9 1 1 A 60 60 THR C C 273 175.166 176.777 -1.611 1 1 541 . 9 1 1 A 60 60 THR CA C 273 67.291 66.965 0.326 1 1 542 . 9 1 1 A 60 60 THR CB C 273 68.824 68.732 0.092 1 1 544 . 9 1 1 A 60 60 THR N N 273 116.718 117.690 -0.972 1 1 545 . 9 1 1 A 61 61 PHE H H 274 8.219 7.891 0.328 1 1 546 . 9 1 1 A 61 61 PHE HA H 274 4.213 4.423 -0.210 1 1 552 . 9 1 1 A 61 61 PHE C C 274 178.034 178.348 -0.314 1 1 553 . 9 1 1 A 61 61 PHE CA C 274 63.308 60.977 2.331 1 1 554 . 9 1 1 A 61 61 PHE CB C 274 37.080 38.156 -1.076 1 1 558 . 9 1 1 A 61 61 PHE N N 274 114.721 119.024 -4.303 1 1 559 . 9 1 1 A 62 62 GLU H H 275 8.810 9.045 -0.235 1 1 560 . 9 1 1 A 62 62 GLU HA H 275 4.416 3.956 0.460 1 1 565 . 9 1 1 A 62 62 GLU C C 275 181.232 178.581 2.651 1 1 566 . 9 1 1 A 62 62 GLU CA C 275 60.190 60.045 0.145 1 1 567 . 9 1 1 A 62 62 GLU CB C 275 28.990 29.242 -0.252 1 1 569 . 9 1 1 A 62 62 GLU N N 275 123.787 119.932 3.855 1 1 570 . 9 1 1 A 63 63 GLU H H 276 7.698 8.164 -0.466 1 1 571 . 9 1 1 A 63 63 GLU HA H 276 3.871 4.086 -0.215 1 1 575 . 9 1 1 A 63 63 GLU C C 276 176.721 176.807 -0.086 1 1 576 . 9 1 1 A 63 63 GLU CA C 276 58.821 57.886 0.935 1 1 577 . 9 1 1 A 63 63 GLU CB C 276 29.251 28.888 0.363 1 1 579 . 9 1 1 A 63 63 GLU N N 276 120.707 118.250 2.457 1 1 580 . 9 1 1 A 64 64 LEU H H 277 6.708 7.243 -0.535 1 1 581 . 9 1 1 A 64 64 LEU HA H 277 4.148 3.869 0.279 1 1 589 . 9 1 1 A 64 64 LEU C C 277 174.571 175.250 -0.679 1 1 590 . 9 1 1 A 64 64 LEU CA C 277 54.060 53.981 0.079 1 1 594 . 9 1 1 A 64 64 LEU N N 277 115.451 118.825 -3.374 1 1 595 . 9 1 1 A 65 65 HIS H H 278 7.388 7.740 -0.352 1 1 596 . 9 1 1 A 65 65 HIS HA H 278 4.259 3.961 0.298 1 1 599 . 9 1 1 A 65 65 HIS C C 278 174.571 174.171 0.400 1 1 600 . 9 1 1 A 65 65 HIS CA C 278 57.737 57.083 0.654 1 1 601 . 9 1 1 A 65 65 HIS CB C 278 26.020 26.489 -0.469 1 1 602 . 9 1 1 A 65 65 HIS N N 278 107.287 114.786 -7.499 1 1 603 . 9 1 1 A 66 66 PHE H H 279 8.554 7.816 0.738 1 1 604 . 9 1 1 A 66 66 PHE HA H 279 4.462 4.794 -0.332 1 1 610 . 9 1 1 A 66 66 PHE C C 279 174.258 175.064 -0.806 1 1 611 . 9 1 1 A 66 66 PHE CA C 279 58.032 57.510 0.522 1 1 612 . 9 1 1 A 66 66 PHE CB C 279 39.809 41.176 -1.367 1 1 616 . 9 1 1 A 66 66 PHE N N 279 117.992 119.358 -1.366 1 1 617 . 9 1 1 A 67 67 GLU H H 280 8.403 9.612 -1.209 1 1 618 . 9 1 1 A 67 67 GLU HA H 280 4.631 5.047 -0.416 1 1 621 . 9 1 1 A 67 67 GLU C C 280 174.640 175.121 -0.481 1 1 622 . 9 1 1 A 67 67 GLU CA C 280 55.467 55.587 -0.120 1 1 623 . 9 1 1 A 67 67 GLU CB C 280 30.671 31.801 -1.130 1 1 625 . 9 1 1 A 67 67 GLU N N 280 120.980 122.745 -1.765 1 1 626 . 9 1 1 A 68 68 ILE H H 281 8.988 8.612 0.376 1 1 627 . 9 1 1 A 68 68 ILE HA H 281 4.491 4.790 -0.299 1 1 636 . 9 1 1 A 68 68 ILE C C 281 176.177 174.659 1.518 1 1 637 . 9 1 1 A 68 68 ILE CA C 281 59.688 60.732 -1.044 1 1 638 . 9 1 1 A 68 68 ILE CB C 281 35.090 40.707 -5.617 1 1 642 . 9 1 1 A 68 68 ILE N N 281 127.994 126.338 1.656 1 1 643 . 9 1 1 A 69 69 LYS H H 282 8.559 8.805 -0.246 1 1 644 . 9 1 1 A 69 69 LYS HA H 282 4.981 4.929 0.052 1 1 645 . 9 1 1 A 69 69 LYS CA C 282 50.465 53.378 -2.913 1 1 646 . 9 1 1 A 69 69 LYS CB C 282 32.762 33.156 -0.394 1 1 649 . 9 1 1 A 69 69 LYS N N 282 126.350 126.869 -0.519 1 1 650 . 9 1 1 A 70 70 PRO HA H 283 5.133 4.740 0.393 1 1 651 . 9 1 1 A 70 70 PRO C C 283 176.378 176.982 -0.604 1 1 652 . 9 1 1 A 70 70 PRO CA C 283 62.027 62.743 -0.716 1 1 653 . 9 1 1 A 70 70 PRO CB C 283 32.856 31.674 1.182 1 1 655 . 9 1 1 A 71 71 HIS H H 284 8.967 8.389 0.578 1 1 656 . 9 1 1 A 71 71 HIS HA H 284 4.465 4.782 -0.317 1 1 660 . 9 1 1 A 71 71 HIS C C 284 172.714 175.578 -2.864 1 1 661 . 9 1 1 A 71 71 HIS CA C 284 55.994 56.098 -0.104 1 1 662 . 9 1 1 A 71 71 HIS CB C 284 33.678 30.697 2.981 1 1 664 . 9 1 1 A 71 71 HIS N N 284 121.708 121.849 -0.141 1 1 665 . 9 1 1 A 72 72 ASP H H 285 8.625 8.535 0.090 1 1 666 . 9 1 1 A 72 72 ASP HA H 285 5.695 4.576 1.119 1 1 669 . 9 1 1 A 72 72 ASP C C 285 175.881 175.557 0.324 1 1 670 . 9 1 1 A 72 72 ASP CA C 285 53.201 52.804 0.397 1 1 671 . 9 1 1 A 72 72 ASP CB C 285 43.758 41.350 2.408 1 1 672 . 9 1 1 A 72 72 ASP N N 285 122.941 120.458 2.483 1 1 673 . 9 1 1 A 73 73 ASP H H 286 9.212 8.732 0.480 1 1 674 . 9 1 1 A 73 73 ASP HA H 286 4.263 4.623 -0.360 1 1 676 . 9 1 1 A 73 73 ASP C C 286 174.368 176.132 -1.764 1 1 677 . 9 1 1 A 73 73 ASP CA C 286 56.488 54.825 1.663 1 1 678 . 9 1 1 A 73 73 ASP CB C 286 39.083 40.986 -1.903 1 1 679 . 9 1 1 A 73 73 ASP N N 286 119.175 118.239 0.936 1 1 680 . 9 1 1 A 74 74 CYS H H 287 8.750 8.701 0.049 1 1 681 . 9 1 1 A 74 74 CYS HA H 287 4.854 5.050 -0.196 1 1 684 . 9 1 1 A 74 74 CYS C C 287 176.146 173.896 2.250 1 1 685 . 9 1 1 A 74 74 CYS CA C 287 58.552 58.564 -0.012 1 1 686 . 9 1 1 A 74 74 CYS CB C 287 53.204 29.065 24.139 1 1 687 . 9 1 1 A 74 74 CYS N N 287 119.631 123.518 -3.887 1 1 688 . 9 1 1 A 75 75 THR H H 288 8.535 8.670 -0.135 1 1 689 . 9 1 1 A 75 75 THR HA H 288 4.163 4.653 -0.490 1 1 694 . 9 1 1 A 75 75 THR C C 288 174.663 176.104 -1.441 1 1 695 . 9 1 1 A 75 75 THR CA C 288 61.353 61.899 -0.546 1 1 696 . 9 1 1 A 75 75 THR CB C 288 70.100 69.799 0.301 1 1 698 . 9 1 1 A 75 75 THR N N 288 115.998 120.025 -4.027 1 1 699 . 9 1 1 A 76 76 VAL H H 289 8.083 8.749 -0.666 1 1 700 . 9 1 1 A 76 76 VAL HA H 289 3.414 3.896 -0.482 1 1 708 . 9 1 1 A 76 76 VAL C C 289 176.443 177.276 -0.833 1 1 709 . 9 1 1 A 76 76 VAL CA C 289 69.066 65.330 3.736 1 1 710 . 9 1 1 A 76 76 VAL CB C 289 30.361 31.502 -1.141 1 1 713 . 9 1 1 A 76 76 VAL N N 289 120.599 124.847 -4.248 1 1 714 . 9 1 1 A 77 77 GLU H H 290 9.095 8.352 0.743 1 1 715 . 9 1 1 A 77 77 GLU HA H 290 4.027 3.902 0.125 1 1 720 . 9 1 1 A 77 77 GLU C C 290 179.172 178.030 1.142 1 1 721 . 9 1 1 A 77 77 GLU CA C 290 59.831 58.992 0.839 1 1 722 . 9 1 1 A 77 77 GLU CB C 290 29.493 29.505 -0.012 1 1 724 . 9 1 1 A 77 77 GLU N N 290 119.191 121.040 -1.849 1 1 725 . 9 1 1 A 78 78 GLN H H 291 7.523 8.165 -0.642 1 1 726 . 9 1 1 A 78 78 GLN HA H 291 4.079 4.325 -0.246 1 1 731 . 9 1 1 A 78 78 GLN C C 291 177.815 178.294 -0.479 1 1 732 . 9 1 1 A 78 78 GLN CA C 291 58.920 57.444 1.476 1 1 734 . 9 1 1 A 78 78 GLN N N 291 117.101 117.671 -0.570 1 1 735 . 9 1 1 A 79 79 ILE H H 292 8.368 8.134 0.234 1 1 736 . 9 1 1 A 79 79 ILE HA H 292 3.427 3.769 -0.342 1 1 746 . 9 1 1 A 79 79 ILE C C 292 177.133 178.021 -0.888 1 1 747 . 9 1 1 A 79 79 ILE CA C 292 67.132 64.904 2.228 1 1 748 . 9 1 1 A 79 79 ILE CB C 292 37.163 37.422 -0.259 1 1 752 . 9 1 1 A 79 79 ILE N N 292 120.006 120.964 -0.958 1 1 753 . 9 1 1 A 80 80 TYR H H 293 8.302 7.987 0.315 1 1 754 . 9 1 1 A 80 80 TYR HA H 293 4.179 4.361 -0.182 1 1 759 . 9 1 1 A 80 80 TYR C C 293 178.907 178.325 0.582 1 1 760 . 9 1 1 A 80 80 TYR CA C 293 61.737 60.912 0.825 1 1 761 . 9 1 1 A 80 80 TYR CB C 293 37.201 37.875 -0.674 1 1 764 . 9 1 1 A 80 80 TYR N N 293 116.291 120.518 -4.227 1 1 765 . 9 1 1 A 81 81 GLU H H 294 8.170 8.348 -0.178 1 1 766 . 9 1 1 A 81 81 GLU HA H 294 4.036 4.225 -0.189 1 1 771 . 9 1 1 A 81 81 GLU C C 294 178.414 179.265 -0.851 1 1 772 . 9 1 1 A 81 81 GLU CA C 294 59.768 58.927 0.841 1 1 773 . 9 1 1 A 81 81 GLU CB C 294 29.489 30.020 -0.531 1 1 775 . 9 1 1 A 81 81 GLU N N 294 120.325 120.713 -0.388 1 1 776 . 9 1 1 A 82 82 ILE H H 295 8.501 7.786 0.715 1 1 777 . 9 1 1 A 82 82 ILE HA H 295 3.675 3.800 -0.125 1 1 787 . 9 1 1 A 82 82 ILE C C 295 177.751 178.219 -0.468 1 1 788 . 9 1 1 A 82 82 ILE CA C 295 65.288 64.556 0.732 1 1 789 . 9 1 1 A 82 82 ILE CB C 295 38.497 37.034 1.463 1 1 793 . 9 1 1 A 82 82 ILE N N 295 120.434 121.063 -0.629 1 1 794 . 9 1 1 A 83 83 LEU H H 296 8.508 7.810 0.698 1 1 795 . 9 1 1 A 83 83 LEU HA H 296 4.289 3.794 0.495 1 1 805 . 9 1 1 A 83 83 LEU C C 296 178.393 178.572 -0.179 1 1 806 . 9 1 1 A 83 83 LEU CA C 296 58.937 57.461 1.476 1 1 807 . 9 1 1 A 83 83 LEU CB C 296 39.626 41.393 -1.767 1 1 811 . 9 1 1 A 83 83 LEU N N 296 116.807 121.551 -4.744 1 1 812 . 9 1 1 A 84 84 LYS H H 297 8.048 7.739 0.309 1 1 813 . 9 1 1 A 84 84 LYS HA H 297 3.967 4.228 -0.261 1 1 820 . 9 1 1 A 84 84 LYS C C 297 177.773 178.769 -0.996 1 1 821 . 9 1 1 A 84 84 LYS CA C 297 58.890 58.570 0.320 1 1 822 . 9 1 1 A 84 84 LYS CB C 297 31.169 33.115 -1.946 1 1 826 . 9 1 1 A 84 84 LYS N N 297 118.687 118.580 0.107 1 1 827 . 9 1 1 A 85 85 ILE H H 298 7.694 7.744 -0.050 1 1 828 . 9 1 1 A 85 85 ILE HA H 298 3.456 3.828 -0.372 1 1 838 . 9 1 1 A 85 85 ILE C C 298 179.100 178.155 0.945 1 1 839 . 9 1 1 A 85 85 ILE CA C 298 65.307 65.455 -0.148 1 1 840 . 9 1 1 A 85 85 ILE CB C 298 36.965 37.766 -0.801 1 1 844 . 9 1 1 A 85 85 ILE N N 298 118.157 120.844 -2.687 1 1 845 . 9 1 1 A 86 86 TYR H H 299 7.613 8.091 -0.478 1 1 846 . 9 1 1 A 86 86 TYR HA H 299 4.103 4.492 -0.389 1 1 851 . 9 1 1 A 86 86 TYR C C 299 177.425 178.498 -1.073 1 1 852 . 9 1 1 A 86 86 TYR CA C 299 63.129 60.777 2.352 1 1 853 . 9 1 1 A 86 86 TYR CB C 299 38.745 38.027 0.718 1 1 856 . 9 1 1 A 86 86 TYR N N 299 115.499 120.128 -4.629 1 1 857 . 9 1 1 A 87 87 GLN H H 300 9.112 8.152 0.960 1 1 858 . 9 1 1 A 87 87 GLN HA H 300 3.977 4.235 -0.258 1 1 861 . 9 1 1 A 87 87 GLN C C 300 176.380 179.099 -2.719 1 1 862 . 9 1 1 A 87 87 GLN CA C 300 58.976 58.882 0.094 1 1 863 . 9 1 1 A 87 87 GLN CB C 300 28.819 28.355 0.464 1 1 865 . 9 1 1 A 87 87 GLN N N 300 125.039 119.174 5.865 1 1 866 . 9 1 1 A 88 88 LEU H H 301 7.536 7.929 -0.393 1 1 867 . 9 1 1 A 88 88 LEU HA H 301 4.309 4.118 0.191 1 1 877 . 9 1 1 A 88 88 LEU C C 301 177.129 180.022 -2.893 1 1 878 . 9 1 1 A 88 88 LEU CA C 301 55.142 57.900 -2.758 1 1 879 . 9 1 1 A 88 88 LEU CB C 301 41.809 41.224 0.585 1 1 883 . 9 1 1 A 88 88 LEU N N 301 115.623 119.942 -4.319 1 1 884 . 9 1 1 A 89 89 MET H H 302 7.025 8.012 -0.987 1 1 885 . 9 1 1 A 89 89 MET HA H 302 4.031 4.325 -0.294 1 1 893 . 9 1 1 A 89 89 MET C C 302 172.664 176.213 -3.549 1 1 894 . 9 1 1 A 89 89 MET CA C 302 55.513 59.142 -3.629 1 1 895 . 9 1 1 A 89 89 MET CB C 302 33.748 32.649 1.099 1 1 898 . 9 1 1 A 89 89 MET N N 302 120.789 119.355 1.434 1 1 899 . 9 1 1 A 90 90 ASP H H 303 8.056 8.221 -0.165 1 1 900 . 9 1 1 A 90 90 ASP HA H 303 4.746 4.385 0.361 1 1 903 . 9 1 1 A 90 90 ASP C C 303 177.139 176.100 1.039 1 1 904 . 9 1 1 A 90 90 ASP CA C 303 54.411 54.888 -0.477 1 1 905 . 9 1 1 A 90 90 ASP CB C 303 40.987 39.237 1.750 1 1 906 . 9 1 1 A 90 90 ASP N N 303 117.873 118.989 -1.116 1 1 907 . 9 1 1 A 91 91 HIS H H 304 9.371 8.549 0.822 1 1 908 . 9 1 1 A 91 91 HIS HA H 304 4.657 4.330 0.327 1 1 912 . 9 1 1 A 91 91 HIS C C 304 177.332 175.380 1.952 1 1 913 . 9 1 1 A 91 91 HIS CA C 304 56.031 59.162 -3.131 1 1 914 . 9 1 1 A 91 91 HIS CB C 304 31.150 30.178 0.972 1 1 916 . 9 1 1 A 91 91 HIS N N 304 126.666 119.780 6.886 1 1 917 . 9 1 1 A 92 92 SER H H 305 8.952 8.058 0.894 1 1 918 . 9 1 1 A 92 92 SER HA H 305 4.055 4.197 -0.142 1 1 921 . 9 1 1 A 92 92 SER CA C 305 63.687 60.031 3.656 1 1 922 . 9 1 1 A 92 92 SER CB C 305 62.694 61.318 1.376 1 1 923 . 9 1 1 A 92 92 SER N N 305 118.610 111.327 7.283 1 1 924 . 9 1 1 A 93 93 ASN H H 306 8.745 7.915 0.830 1 1 925 . 9 1 1 A 93 93 ASN HA H 306 4.803 4.818 -0.015 1 1 928 . 9 1 1 A 93 93 ASN C C 306 173.428 175.190 -1.762 1 1 929 . 9 1 1 A 93 93 ASN CA C 306 53.018 54.656 -1.638 1 1 930 . 9 1 1 A 93 93 ASN CB C 306 38.033 39.981 -1.948 1 1 931 . 9 1 1 A 93 93 ASN N N 306 116.257 118.360 -2.103 1 1 932 . 9 1 1 A 94 94 MET H H 307 7.942 7.778 0.164 1 1 933 . 9 1 1 A 94 94 MET HA H 307 4.683 4.654 0.029 1 1 939 . 9 1 1 A 94 94 MET C C 307 174.640 175.331 -0.691 1 1 940 . 9 1 1 A 94 94 MET CA C 307 53.564 53.601 -0.037 1 1 941 . 9 1 1 A 94 94 MET CB C 307 33.988 34.914 -0.926 1 1 944 . 9 1 1 A 94 94 MET N N 307 117.799 115.144 2.655 1 1 945 . 9 1 1 A 95 95 ASP H H 308 8.276 9.064 -0.788 1 1 946 . 9 1 1 A 95 95 ASP HA H 308 5.172 5.000 0.172 1 1 949 . 9 1 1 A 95 95 ASP C C 308 176.264 174.883 1.381 1 1 950 . 9 1 1 A 95 95 ASP CA C 308 55.617 52.803 2.814 1 1 951 . 9 1 1 A 95 95 ASP CB C 308 45.114 41.790 3.324 1 1 952 . 9 1 1 A 95 95 ASP N N 308 119.567 121.665 -2.098 1 1 953 . 9 1 1 A 96 96 CYS H H 309 8.215 7.750 0.465 1 1 954 . 9 1 1 A 96 96 CYS HA H 309 4.680 5.238 -0.558 1 1 957 . 9 1 1 A 96 96 CYS C C 309 170.157 173.071 -2.914 1 1 958 . 9 1 1 A 96 96 CYS CA C 309 57.203 56.905 0.298 1 1 959 . 9 1 1 A 96 96 CYS CB C 309 52.974 31.261 21.713 1 1 960 . 9 1 1 A 96 96 CYS N N 309 118.264 117.869 0.395 1 1 961 . 9 1 1 A 97 97 PHE H H 310 8.108 8.861 -0.753 1 1 962 . 9 1 1 A 97 97 PHE HA H 310 5.071 5.016 0.055 1 1 967 . 9 1 1 A 97 97 PHE C C 310 171.279 173.617 -2.338 1 1 968 . 9 1 1 A 97 97 PHE CA C 310 57.910 57.730 0.180 1 1 969 . 9 1 1 A 97 97 PHE CB C 310 44.724 42.842 1.882 1 1 972 . 9 1 1 A 97 97 PHE N N 310 125.767 122.686 3.081 1 1 973 . 9 1 1 A 98 98 ILE H H 311 7.647 8.214 -0.567 1 1 974 . 9 1 1 A 98 98 ILE HA H 311 4.581 5.027 -0.446 1 1 984 . 9 1 1 A 98 98 ILE C C 311 172.012 174.816 -2.804 1 1 985 . 9 1 1 A 98 98 ILE CA C 311 58.312 60.062 -1.750 1 1 986 . 9 1 1 A 98 98 ILE CB C 311 39.964 42.254 -2.290 1 1 990 . 9 1 1 A 98 98 ILE N N 311 125.102 124.791 0.311 1 1 991 . 9 1 1 A 99 99 CYS H H 312 8.309 9.351 -1.042 1 1 992 . 9 1 1 A 99 99 CYS HA H 312 4.471 5.093 -0.622 1 1 993 . 9 1 1 A 99 99 CYS C C 312 171.965 172.941 -0.976 1 1 994 . 9 1 1 A 99 99 CYS CA C 312 56.347 57.464 -1.117 1 1 995 . 9 1 1 A 99 99 CYS CB C 312 51.093 28.963 22.130 1 1 996 . 9 1 1 A 99 99 CYS N N 312 124.548 126.575 -2.027 1 1 997 . 9 1 1 A 100 100 CYS H H 313 9.116 8.601 0.515 1 1 998 . 9 1 1 A 100 100 CYS HA H 313 5.880 4.847 1.033 1 1 1001 . 9 1 1 A 100 100 CYS C C 313 173.635 173.759 -0.124 1 1 1002 . 9 1 1 A 100 100 CYS CA C 313 55.906 57.559 -1.653 1 1 1003 . 9 1 1 A 100 100 CYS CB C 313 52.685 28.673 24.012 1 1 1004 . 9 1 1 A 100 100 CYS N N 313 127.015 128.075 -1.060 1 1 1005 . 9 1 1 A 101 101 ILE H H 314 8.896 8.930 -0.034 1 1 1006 . 9 1 1 A 101 101 ILE HA H 314 4.737 4.731 0.006 1 1 1016 . 9 1 1 A 101 101 ILE C C 314 172.277 175.478 -3.201 1 1 1017 . 9 1 1 A 101 101 ILE CA C 314 60.937 60.026 0.911 1 1 1018 . 9 1 1 A 101 101 ILE CB C 314 40.848 40.784 0.064 1 1 1022 . 9 1 1 A 101 101 ILE N N 314 121.994 128.526 -6.532 1 1 1023 . 9 1 1 A 102 102 LEU H H 315 8.951 8.619 0.332 1 1 1024 . 9 1 1 A 102 102 LEU HA H 315 5.285 4.455 0.830 1 1 1029 . 9 1 1 A 102 102 LEU C C 315 174.789 176.371 -1.582 1 1 1030 . 9 1 1 A 102 102 LEU CA C 315 52.489 55.948 -3.459 1 1 1031 . 9 1 1 A 102 102 LEU CB C 315 40.041 44.240 -4.199 1 1 1034 . 9 1 1 A 102 102 LEU N N 315 127.404 128.936 -1.532 1 1 1035 . 9 1 1 A 103 103 SER H H 316 9.096 7.510 1.586 1 1 1036 . 9 1 1 A 103 103 SER HA H 316 4.680 4.563 0.117 1 1 1039 . 9 1 1 A 103 103 SER C C 316 174.555 173.786 0.769 1 1 1040 . 9 1 1 A 103 103 SER CA C 316 56.403 58.091 -1.688 1 1 1041 . 9 1 1 A 103 103 SER CB C 316 63.224 63.073 0.151 1 1 1042 . 9 1 1 A 103 103 SER N N 316 113.273 111.533 1.740 1 1 1043 . 9 1 1 A 104 104 HIS H H 317 7.515 9.188 -1.673 1 1 1044 . 9 1 1 A 104 104 HIS HA H 317 5.214 5.308 -0.094 1 1 1048 . 9 1 1 A 104 104 HIS C C 317 175.667 174.254 1.413 1 1 1049 . 9 1 1 A 104 104 HIS CA C 317 56.371 55.156 1.215 1 1 1050 . 9 1 1 A 104 104 HIS CB C 317 34.676 32.454 2.222 1 1 1052 . 9 1 1 A 104 104 HIS N N 317 114.740 126.754 -12.014 1 1 1053 . 9 1 1 A 105 105 GLY H H 318 8.368 7.819 0.549 1 1 1054 . 9 1 1 A 105 105 GLY C C 318 169.470 170.950 -1.480 1 1 1055 . 9 1 1 A 105 105 GLY CA C 318 45.558 45.939 -0.381 1 1 1056 . 9 1 1 A 105 105 GLY N N 318 107.330 110.521 -3.191 1 1 1057 . 9 1 1 A 106 106 ASP H H 319 7.943 8.520 -0.577 1 1 1058 . 9 1 1 A 106 106 ASP HA H 319 4.622 5.205 -0.583 1 1 1061 . 9 1 1 A 106 106 ASP C C 319 175.179 175.367 -0.188 1 1 1062 . 9 1 1 A 106 106 ASP CA C 319 53.188 52.898 0.290 1 1 1063 . 9 1 1 A 106 106 ASP CB C 319 43.555 44.700 -1.145 1 1 1064 . 9 1 1 A 106 106 ASP N N 319 116.893 119.421 -2.528 1 1 1065 . 9 1 1 A 107 107 LYS H H 320 9.376 8.588 0.788 1 1 1066 . 9 1 1 A 107 107 LYS HA H 320 3.956 4.437 -0.481 1 1 1075 . 9 1 1 A 107 107 LYS C C 320 176.864 177.746 -0.882 1 1 1076 . 9 1 1 A 107 107 LYS CA C 320 58.567 56.700 1.867 1 1 1077 . 9 1 1 A 107 107 LYS CB C 320 30.568 33.215 -2.647 1 1 1081 . 9 1 1 A 107 107 LYS N N 320 122.539 120.825 1.714 1 1 1082 . 9 1 1 A 108 108 GLY H H 321 9.025 7.966 1.059 1 1 1083 . 9 1 1 A 108 108 GLY C C 321 173.633 174.303 -0.670 1 1 1084 . 9 1 1 A 108 108 GLY CA C 321 45.491 45.090 0.401 1 1 1085 . 9 1 1 A 108 108 GLY N N 321 111.919 107.065 4.854 1 1 1086 . 9 1 1 A 109 109 ILE H H 322 8.157 7.515 0.642 1 1 1087 . 9 1 1 A 109 109 ILE HA H 322 4.994 4.351 0.643 1 1 1097 . 9 1 1 A 109 109 ILE C C 322 174.524 175.812 -1.288 1 1 1098 . 9 1 1 A 109 109 ILE CA C 322 59.009 59.919 -0.910 1 1 1099 . 9 1 1 A 109 109 ILE CB C 322 43.375 39.882 3.493 1 1 1103 . 9 1 1 A 109 109 ILE N N 322 116.465 117.072 -0.607 1 1 1104 . 9 1 1 A 110 110 ILE H H 323 8.443 9.205 -0.762 1 1 1105 . 9 1 1 A 110 110 ILE HA H 323 4.530 4.491 0.039 1 1 1115 . 9 1 1 A 110 110 ILE C C 323 174.337 175.056 -0.719 1 1 1116 . 9 1 1 A 110 110 ILE CA C 323 58.547 60.173 -1.626 1 1 1117 . 9 1 1 A 110 110 ILE CB C 323 41.604 38.618 2.986 1 1 1121 . 9 1 1 A 110 110 ILE N N 323 116.661 122.386 -5.725 1 1 1122 . 9 1 1 A 111 111 TYR H H 324 8.584 8.903 -0.319 1 1 1123 . 9 1 1 A 111 111 TYR HA H 324 5.557 4.531 1.026 1 1 1128 . 9 1 1 A 111 111 TYR C C 324 178.528 176.257 2.271 1 1 1129 . 9 1 1 A 111 111 TYR CA C 324 56.571 59.645 -3.074 1 1 1130 . 9 1 1 A 111 111 TYR CB C 324 39.984 38.903 1.081 1 1 1133 . 9 1 1 A 111 111 TYR N N 324 119.472 127.208 -7.736 1 1 1134 . 9 1 1 A 112 112 GLY H H 325 8.522 8.514 0.008 1 1 1135 . 9 1 1 A 112 112 GLY C C 325 174.755 174.223 0.532 1 1 1136 . 9 1 1 A 112 112 GLY CA C 325 43.145 45.142 -1.997 1 1 1137 . 9 1 1 A 112 112 GLY N N 325 107.078 113.983 -6.905 1 1 1138 . 9 1 1 A 113 113 THR H H 326 8.245 7.354 0.891 1 1 1139 . 9 1 1 A 113 113 THR HA H 326 3.186 3.685 -0.499 1 1 1144 . 9 1 1 A 113 113 THR C C 326 173.264 173.942 -0.678 1 1 1145 . 9 1 1 A 113 113 THR CA C 326 64.857 62.729 2.128 1 1 1146 . 9 1 1 A 113 113 THR CB C 326 66.749 66.490 0.259 1 1 1148 . 9 1 1 A 113 113 THR N N 326 113.146 109.902 3.244 1 1 1149 . 9 1 1 A 114 114 ASP H H 327 8.801 8.006 0.795 1 1 1150 . 9 1 1 A 114 114 ASP HA H 327 4.099 4.290 -0.191 1 1 1153 . 9 1 1 A 114 114 ASP C C 327 176.262 177.460 -1.198 1 1 1154 . 9 1 1 A 114 114 ASP CA C 327 52.768 56.061 -3.293 1 1 1155 . 9 1 1 A 114 114 ASP CB C 327 39.312 41.137 -1.825 1 1 1156 . 9 1 1 A 114 114 ASP N N 327 112.026 118.944 -6.918 1 1 1157 . 9 1 1 A 115 115 GLY H H 328 8.462 7.743 0.719 1 1 1158 . 9 1 1 A 115 115 GLY HA2 H 328 4.010 3.990 0.020 1 1 1159 . 9 1 1 A 115 115 GLY HA3 H 328 4.010 4.065 -0.055 1 1 1160 . 9 1 1 A 115 115 GLY C C 328 171.918 174.327 -2.409 1 1 1161 . 9 1 1 A 115 115 GLY CA C 328 45.463 46.026 -0.563 1 1 1162 . 9 1 1 A 115 115 GLY N N 328 107.749 107.504 0.245 1 1 1163 . 9 1 1 A 116 116 GLN H H 329 6.657 7.804 -1.147 1 1 1164 . 9 1 1 A 116 116 GLN HA H 329 4.441 4.821 -0.380 1 1 1170 . 9 1 1 A 116 116 GLN C C 329 174.196 173.572 0.624 1 1 1171 . 9 1 1 A 116 116 GLN CA C 329 55.204 54.527 0.677 1 1 1172 . 9 1 1 A 116 116 GLN CB C 329 28.541 31.581 -3.040 1 1 1174 . 9 1 1 A 116 116 GLN N N 329 115.146 113.709 1.437 1 1 1176 . 9 1 1 A 117 117 GLU H H 330 8.624 8.744 -0.120 1 1 1177 . 9 1 1 A 117 117 GLU HA H 330 4.733 4.900 -0.167 1 1 1178 . 9 1 1 A 117 117 GLU C C 330 175.357 175.623 -0.266 1 1 1179 . 9 1 1 A 117 117 GLU CA C 330 55.191 54.778 0.413 1 1 1180 . 9 1 1 A 117 117 GLU CB C 330 32.586 33.207 -0.621 1 1 1182 . 9 1 1 A 117 117 GLU N N 330 119.031 118.886 0.145 1 1 1183 . 9 1 1 A 118 118 ALA H H 331 8.995 8.620 0.375 1 1 1184 . 9 1 1 A 118 118 ALA HA H 331 5.165 4.141 1.024 1 1 1188 . 9 1 1 A 118 118 ALA C C 331 173.650 176.743 -3.093 1 1 1189 . 9 1 1 A 118 118 ALA CA C 331 48.343 54.167 -5.824 1 1 1190 . 9 1 1 A 118 118 ALA CB C 331 20.353 18.304 2.049 1 1 1191 . 9 1 1 A 118 118 ALA N N 331 123.550 120.767 2.783 1 1 1192 . 9 1 1 A 119 119 PRO HA H 332 4.819 4.704 0.115 1 1 1193 . 9 1 1 A 119 119 PRO C C 332 177.819 177.690 0.129 1 1 1194 . 9 1 1 A 119 119 PRO CA C 332 62.007 62.606 -0.599 1 1 1195 . 9 1 1 A 119 119 PRO CB C 332 32.081 31.661 0.420 1 1 1197 . 9 1 1 A 120 120 ILE H H 333 8.574 8.895 -0.321 1 1 1198 . 9 1 1 A 120 120 ILE HA H 333 3.278 3.871 -0.593 1 1 1206 . 9 1 1 A 120 120 ILE C C 333 177.316 177.399 -0.083 1 1 1207 . 9 1 1 A 120 120 ILE CA C 333 66.025 63.756 2.269 1 1 1208 . 9 1 1 A 120 120 ILE CB C 333 37.991 37.872 0.119 1 1 1212 . 9 1 1 A 120 120 ILE N N 333 126.740 125.893 0.847 1 1 1213 . 9 1 1 A 121 121 TYR H H 334 9.192 7.909 1.283 1 1 1214 . 9 1 1 A 121 121 TYR HA H 334 3.942 4.191 -0.249 1 1 1219 . 9 1 1 A 121 121 TYR C C 334 177.847 178.364 -0.517 1 1 1220 . 9 1 1 A 121 121 TYR CA C 334 60.688 60.362 0.326 1 1 1221 . 9 1 1 A 121 121 TYR CB C 334 38.803 38.290 0.513 1 1 1224 . 9 1 1 A 121 121 TYR N N 334 117.479 120.997 -3.518 1 1 1225 . 9 1 1 A 122 122 GLU H H 335 7.178 7.699 -0.521 1 1 1226 . 9 1 1 A 122 122 GLU HA H 335 3.751 4.187 -0.436 1 1 1228 . 9 1 1 A 122 122 GLU C C 335 176.427 179.061 -2.634 1 1 1229 . 9 1 1 A 122 122 GLU CA C 335 58.378 58.800 -0.422 1 1 1230 . 9 1 1 A 122 122 GLU CB C 335 29.477 30.018 -0.541 1 1 1232 . 9 1 1 A 122 122 GLU N N 335 115.885 120.192 -4.307 1 1 1233 . 9 1 1 A 123 123 LEU H H 336 7.440 7.998 -0.558 1 1 1234 . 9 1 1 A 123 123 LEU HA H 336 4.123 3.839 0.284 1 1 1244 . 9 1 1 A 123 123 LEU C C 336 177.925 179.074 -1.149 1 1 1245 . 9 1 1 A 123 123 LEU CA C 336 56.646 57.733 -1.087 1 1 1246 . 9 1 1 A 123 123 LEU CB C 336 40.661 41.534 -0.873 1 1 1250 . 9 1 1 A 123 123 LEU N N 336 115.934 120.218 -4.284 1 1 1251 . 9 1 1 A 124 124 THR H H 337 8.009 8.147 -0.138 1 1 1252 . 9 1 1 A 124 124 THR HA H 337 3.597 4.189 -0.592 1 1 1257 . 9 1 1 A 124 124 THR C C 337 177.568 176.740 0.828 1 1 1258 . 9 1 1 A 124 124 THR CA C 337 64.110 64.496 -0.386 1 1 1259 . 9 1 1 A 124 124 THR CB C 337 67.603 68.617 -1.014 1 1 1261 . 9 1 1 A 124 124 THR N N 337 107.827 110.478 -2.651 1 1 1262 . 9 1 1 A 125 125 SER H H 338 7.435 7.975 -0.540 1 1 1263 . 9 1 1 A 125 125 SER HA H 338 3.723 4.280 -0.557 1 1 1266 . 9 1 1 A 125 125 SER C C 338 174.040 175.388 -1.348 1 1 1267 . 9 1 1 A 125 125 SER CA C 338 60.514 61.176 -0.662 1 1 1268 . 9 1 1 A 125 125 SER CB C 338 62.391 63.154 -0.763 1 1 1269 . 9 1 1 A 125 125 SER N N 338 112.670 117.655 -4.985 1 1 1270 . 9 1 1 A 126 126 GLN H H 339 7.071 8.643 -1.572 1 1 1271 . 9 1 1 A 126 126 GLN HA H 339 3.850 4.127 -0.277 1 1 1276 . 9 1 1 A 126 126 GLN C C 339 173.915 176.476 -2.561 1 1 1277 . 9 1 1 A 126 126 GLN CA C 339 56.106 57.083 -0.977 1 1 1278 . 9 1 1 A 126 126 GLN CB C 339 27.028 27.091 -0.063 1 1 1280 . 9 1 1 A 126 126 GLN N N 339 117.347 118.473 -1.126 1 1 1281 . 9 1 1 A 127 127 PHE H H 340 7.355 7.545 -0.190 1 1 1282 . 9 1 1 A 127 127 PHE HA H 340 4.515 4.507 0.008 1 1 1285 . 9 1 1 A 127 127 PHE C C 340 175.241 175.969 -0.728 1 1 1286 . 9 1 1 A 127 127 PHE CA C 340 57.914 58.744 -0.830 1 1 1287 . 9 1 1 A 127 127 PHE CB C 340 38.496 38.417 0.079 1 1 1288 . 9 1 1 A 127 127 PHE N N 340 110.412 118.095 -7.683 1 1 1289 . 9 1 1 A 128 128 THR H H 341 6.785 7.513 -0.728 1 1 1290 . 9 1 1 A 128 128 THR HA H 341 4.294 4.274 0.020 1 1 1295 . 9 1 1 A 128 128 THR C C 341 174.727 176.478 -1.751 1 1 1296 . 9 1 1 A 128 128 THR CA C 341 62.016 64.027 -2.011 1 1 1297 . 9 1 1 A 128 128 THR CB C 341 69.757 69.554 0.203 1 1 1299 . 9 1 1 A 128 128 THR N N 341 107.455 115.194 -7.739 1 1 1300 . 9 1 1 A 129 129 GLY H H 342 10.506 8.892 1.614 1 1 1301 . 9 1 1 A 129 129 GLY HA2 H 342 3.841 3.910 -0.069 1 1 1302 . 9 1 1 A 129 129 GLY HA3 H 342 3.648 3.914 -0.266 1 1 1303 . 9 1 1 A 129 129 GLY C C 342 175.631 174.672 0.959 1 1 1304 . 9 1 1 A 129 129 GLY CA C 342 47.056 46.695 0.361 1 1 1305 . 9 1 1 A 129 129 GLY N N 342 111.023 114.058 -3.035 1 1 1306 . 9 1 1 A 130 130 LEU H H 343 8.003 7.878 0.125 1 1 1307 . 9 1 1 A 130 130 LEU HA H 343 4.135 4.420 -0.285 1 1 1317 . 9 1 1 A 130 130 LEU C C 343 178.627 177.846 0.781 1 1 1318 . 9 1 1 A 130 130 LEU CA C 343 56.606 55.327 1.279 1 1 1319 . 9 1 1 A 130 130 LEU CB C 343 42.399 42.459 -0.060 1 1 1323 . 9 1 1 A 130 130 LEU N N 343 116.983 119.737 -2.754 1 1 1324 . 9 1 1 A 131 131 LYS H H 344 6.961 8.064 -1.103 1 1 1325 . 9 1 1 A 131 131 LYS HA H 344 4.001 4.466 -0.465 1 1 1333 . 9 1 1 A 131 131 LYS C C 344 176.224 176.883 -0.659 1 1 1334 . 9 1 1 A 131 131 LYS CA C 344 57.534 56.041 1.493 1 1 1335 . 9 1 1 A 131 131 LYS CB C 344 33.404 34.234 -0.830 1 1 1339 . 9 1 1 A 131 131 LYS N N 344 116.907 116.044 0.863 1 1 1340 . 9 1 1 A 132 132 CYS H H 345 8.564 8.334 0.230 1 1 1341 . 9 1 1 A 132 132 CYS HA H 345 4.930 5.053 -0.123 1 1 1344 . 9 1 1 A 132 132 CYS C C 345 172.261 173.242 -0.981 1 1 1345 . 9 1 1 A 132 132 CYS CA C 345 56.566 55.998 0.568 1 1 1346 . 9 1 1 A 132 132 CYS CB C 345 49.011 27.745 21.266 1 1 1347 . 9 1 1 A 132 132 CYS N N 345 117.718 118.326 -0.608 1 1 1348 . 9 1 1 A 133 133 PRO HA H 346 4.719 4.479 0.240 1 1 1354 . 9 1 1 A 133 133 PRO C C 346 179.500 176.512 2.988 1 1 1355 . 9 1 1 A 133 133 PRO CA C 346 62.681 64.219 -1.538 1 1 1356 . 9 1 1 A 133 133 PRO CB C 346 34.366 31.901 2.465 1 1 1359 . 9 1 1 A 134 134 SER H H 347 8.896 7.924 0.972 1 1 1360 . 9 1 1 A 134 134 SER HA H 347 4.415 4.548 -0.133 1 1 1363 . 9 1 1 A 134 134 SER C C 347 174.434 174.998 -0.564 1 1 1364 . 9 1 1 A 134 134 SER CA C 347 60.509 58.625 1.884 1 1 1365 . 9 1 1 A 134 134 SER CB C 347 62.207 61.671 0.536 1 1 1366 . 9 1 1 A 134 134 SER N N 347 112.882 114.203 -1.321 1 1 1367 . 9 1 1 A 135 135 LEU H H 348 7.549 8.803 -1.254 1 1 1368 . 9 1 1 A 135 135 LEU HA H 348 4.466 4.043 0.423 1 1 1378 . 9 1 1 A 135 135 LEU C C 348 176.458 176.499 -0.041 1 1 1379 . 9 1 1 A 135 135 LEU CA C 348 53.787 56.106 -2.319 1 1 1380 . 9 1 1 A 135 135 LEU CB C 348 44.189 39.285 4.904 1 1 1384 . 9 1 1 A 135 135 LEU N N 348 118.501 123.159 -4.658 1 1 1385 . 9 1 1 A 136 136 ALA H H 349 7.776 7.921 -0.145 1 1 1386 . 9 1 1 A 136 136 ALA HA H 349 4.056 4.038 0.018 1 1 1390 . 9 1 1 A 136 136 ALA C C 349 178.620 180.172 -1.552 1 1 1391 . 9 1 1 A 136 136 ALA CA C 349 54.406 55.113 -0.707 1 1 1392 . 9 1 1 A 136 136 ALA CB C 349 17.934 18.758 -0.824 1 1 1393 . 9 1 1 A 136 136 ALA N N 349 125.801 120.998 4.803 1 1 1394 . 9 1 1 A 137 137 GLY H H 350 9.371 8.199 1.172 1 1 1395 . 9 1 1 A 137 137 GLY C C 350 173.026 174.451 -1.425 1 1 1396 . 9 1 1 A 137 137 GLY CA C 350 45.132 45.530 -0.398 1 1 1397 . 9 1 1 A 137 137 GLY N N 350 111.181 106.042 5.139 1 1 1398 . 9 1 1 A 138 138 LYS H H 351 8.038 7.425 0.613 1 1 1399 . 9 1 1 A 138 138 LYS HA H 351 4.660 4.477 0.183 1 1 1400 . 9 1 1 A 138 138 LYS C C 351 172.078 174.627 -2.549 1 1 1401 . 9 1 1 A 138 138 LYS CA C 351 52.728 54.559 -1.831 1 1 1402 . 9 1 1 A 138 138 LYS CB C 351 32.069 31.499 0.570 1 1 1404 . 9 1 1 A 138 138 LYS N N 351 119.821 120.369 -0.548 1 1 1405 . 9 1 1 A 139 139 PRO HA H 352 4.300 4.852 -0.552 1 1 1412 . 9 1 1 A 139 139 PRO C C 352 173.954 176.590 -2.636 1 1 1413 . 9 1 1 A 139 139 PRO CA C 352 62.595 62.807 -0.212 1 1 1414 . 9 1 1 A 139 139 PRO CB C 352 31.399 32.341 -0.942 1 1 1417 . 9 1 1 A 140 140 LYS H H 353 8.188 8.692 -0.504 1 1 1418 . 9 1 1 A 140 140 LYS HA H 353 4.610 5.644 -1.034 1 1 1419 . 9 1 1 A 140 140 LYS C C 353 173.494 174.995 -1.501 1 1 1420 . 9 1 1 A 140 140 LYS CA C 353 55.344 54.636 0.708 1 1 1421 . 9 1 1 A 140 140 LYS CB C 353 32.527 36.492 -3.965 1 1 1423 . 9 1 1 A 140 140 LYS N N 353 123.304 117.002 6.302 1 1 1424 . 9 1 1 A 141 141 VAL H H 354 8.344 8.284 0.060 1 1 1425 . 9 1 1 A 141 141 VAL HA H 354 4.533 4.781 -0.248 1 1 1433 . 9 1 1 A 141 141 VAL C C 354 172.277 174.597 -2.320 1 1 1434 . 9 1 1 A 141 141 VAL CA C 354 60.596 60.793 -0.197 1 1 1435 . 9 1 1 A 141 141 VAL CB C 354 33.580 35.106 -1.526 1 1 1438 . 9 1 1 A 141 141 VAL N N 354 122.550 120.437 2.113 1 1 1439 . 9 1 1 A 142 142 PHE H H 355 8.985 8.217 0.768 1 1 1440 . 9 1 1 A 142 142 PHE HA H 355 5.436 5.459 -0.023 1 1 1441 . 9 1 1 A 142 142 PHE C C 355 173.666 173.721 -0.055 1 1 1442 . 9 1 1 A 142 142 PHE CA C 355 54.968 55.335 -0.367 1 1 1443 . 9 1 1 A 142 142 PHE CB C 355 42.877 41.387 1.490 1 1 1444 . 9 1 1 A 142 142 PHE N N 355 123.850 122.622 1.228 1 1 1445 . 9 1 1 A 143 143 PHE H H 356 8.584 8.695 -0.111 1 1 1446 . 9 1 1 A 143 143 PHE HA H 356 5.934 4.795 1.139 1 1 1449 . 9 1 1 A 143 143 PHE C C 356 174.526 175.570 -1.044 1 1 1450 . 9 1 1 A 143 143 PHE CA C 356 55.909 58.281 -2.372 1 1 1451 . 9 1 1 A 143 143 PHE CB C 356 39.923 39.269 0.654 1 1 1454 . 9 1 1 A 143 143 PHE N N 356 119.801 124.402 -4.601 1 1 1455 . 9 1 1 A 144 144 ILE H H 357 9.020 8.964 0.056 1 1 1456 . 9 1 1 A 144 144 ILE HA H 357 5.040 4.840 0.200 1 1 1466 . 9 1 1 A 144 144 ILE C C 357 173.323 174.781 -1.458 1 1 1467 . 9 1 1 A 144 144 ILE CA C 357 59.479 60.020 -0.541 1 1 1468 . 9 1 1 A 144 144 ILE CB C 357 40.898 40.294 0.604 1 1 1472 . 9 1 1 A 144 144 ILE N N 357 121.194 124.131 -2.937 1 1 1473 . 9 1 1 A 145 145 GLN H H 358 8.856 8.714 0.142 1 1 1474 . 9 1 1 A 145 145 GLN HA H 358 4.670 4.435 0.235 1 1 1475 . 9 1 1 A 145 145 GLN C C 358 171.591 176.175 -4.584 1 1 1476 . 9 1 1 A 145 145 GLN CA C 358 53.648 54.545 -0.897 1 1 1477 . 9 1 1 A 145 145 GLN CB C 358 30.373 28.345 2.028 1 1 1479 . 9 1 1 A 145 145 GLN N N 358 128.880 126.616 2.264 1 1 1480 . 9 1 1 A 146 146 ALA H H 359 8.418 8.406 0.012 1 1 1481 . 9 1 1 A 146 146 ALA HA H 359 5.247 4.609 0.638 1 1 1485 . 9 1 1 A 146 146 ALA C C 359 175.319 177.881 -2.562 1 1 1486 . 9 1 1 A 146 146 ALA CA C 359 50.243 51.354 -1.111 1 1 1487 . 9 1 1 A 146 146 ALA CB C 359 18.786 19.541 -0.755 1 1 1488 . 9 1 1 A 146 146 ALA N N 359 128.349 128.685 -0.336 1 1 1489 . 9 1 1 A 147 147 ALA H H 360 8.161 7.904 0.257 1 1 1490 . 9 1 1 A 147 147 ALA HA H 360 4.343 2.923 1.420 1 1 1494 . 9 1 1 A 147 147 ALA C C 360 177.238 177.112 0.126 1 1 1495 . 9 1 1 A 147 147 ALA CA C 360 52.078 53.944 -1.866 1 1 1496 . 9 1 1 A 147 147 ALA CB C 360 20.003 19.139 0.864 1 1 1497 . 9 1 1 A 147 147 ALA N N 360 123.005 120.133 2.872 1 1 1498 . 9 1 1 A 148 148 GLN H H 361 8.461 7.565 0.896 1 1 1499 . 9 1 1 A 148 148 GLN HA H 361 4.663 4.774 -0.111 1 1 1504 . 9 1 1 A 148 148 GLN C C 361 176.333 174.294 2.039 1 1 1505 . 9 1 1 A 148 148 GLN CA C 361 55.760 54.443 1.317 1 1 1506 . 9 1 1 A 148 148 GLN CB C 361 29.937 31.804 -1.867 1 1 1508 . 9 1 1 A 148 148 GLN N N 361 120.296 112.714 7.582 1 1 1509 . 9 1 1 A 149 149 GLY H H 362 8.631 8.434 0.197 1 1 1510 . 9 1 1 A 149 149 GLY HA2 H 362 3.858 4.185 -0.327 1 1 1511 . 9 1 1 A 149 149 GLY HA3 H 362 3.858 4.214 -0.356 1 1 1512 . 9 1 1 A 149 149 GLY C C 362 172.022 172.717 -0.695 1 1 1513 . 9 1 1 A 149 149 GLY CA C 362 44.969 46.212 -1.243 1 1 1514 . 9 1 1 A 149 149 GLY N N 362 109.782 107.328 2.454 1 1 1515 . 9 1 1 A 150 150 ASP H H 363 7.566 8.253 -0.687 1 1 1516 . 9 1 1 A 150 150 ASP HA H 363 4.661 4.859 -0.198 1 1 1519 . 9 1 1 A 150 150 ASP C C 363 174.446 175.490 -1.044 1 1 1520 . 9 1 1 A 150 150 ASP CA C 363 57.776 53.825 3.951 1 1 1521 . 9 1 1 A 150 150 ASP CB C 363 39.423 41.873 -2.450 1 1 1522 . 9 1 1 A 150 150 ASP N N 363 118.182 122.014 -3.832 1 1 1523 . 9 1 1 A 153 153 GLN HA H 366 4.665 4.519 0.146 1 1 1530 . 9 1 1 A 153 153 GLN CA C 366 53.779 54.894 -1.115 1 1 1531 . 9 1 1 A 153 153 GLN CB C 366 28.988 32.511 -3.523 1 1 1534 . 9 1 1 A 155 155 GLY HA2 H 368 3.899 3.976 -0.077 1 1 1535 . 9 1 1 A 155 155 GLY HA3 H 368 3.899 3.990 -0.091 1 1 1536 . 9 1 1 A 155 155 GLY CA C 368 45.013 45.648 -0.635 1 1 1537 . 9 1 1 A 156 156 ILE H H 369 7.871 8.701 -0.830 1 1 1538 . 9 1 1 A 156 156 ILE HA H 369 4.428 4.817 -0.389 1 1 1548 . 9 1 1 A 156 156 ILE C C 369 174.196 175.772 -1.576 1 1 1549 . 9 1 1 A 156 156 ILE CA C 369 58.676 57.329 1.347 1 1 1550 . 9 1 1 A 156 156 ILE CB C 369 38.516 40.484 -1.968 1 1 1554 . 9 1 1 A 156 156 ILE N N 369 120.958 118.654 2.304 1 1 1555 . 9 1 1 A 157 157 PRO HA H 370 4.386 4.542 -0.156 1 1 1562 . 9 1 1 A 157 157 PRO C C 370 176.218 176.240 -0.022 1 1 1563 . 9 1 1 A 157 157 PRO CA C 370 63.431 64.028 -0.597 1 1 1564 . 9 1 1 A 157 157 PRO CB C 370 31.913 31.834 0.079 1 1 1567 . 9 1 1 A 158 158 VAL H H 371 8.137 7.609 0.528 1 1 1568 . 9 1 1 A 158 158 VAL HA H 371 4.089 4.092 -0.003 1 1 1576 . 9 1 1 A 158 158 VAL C C 371 175.904 176.006 -0.102 1 1 1577 . 9 1 1 A 158 158 VAL CA C 371 62.121 61.512 0.609 1 1 1578 . 9 1 1 A 158 158 VAL CB C 371 32.958 32.674 0.284 1 1 1581 . 9 1 1 A 158 158 VAL N N 371 119.640 115.359 4.281 1 1 1582 . 9 1 1 A 159 159 GLU H H 372 8.523 9.095 -0.572 1 1 1583 . 9 1 1 A 159 159 GLU HA H 372 4.345 4.921 -0.576 1 1 1588 . 9 1 1 A 159 159 GLU C C 372 176.068 175.804 0.264 1 1 1589 . 9 1 1 A 159 159 GLU CA C 372 56.474 54.177 2.297 1 1 1590 . 9 1 1 A 159 159 GLU CB C 372 30.078 33.525 -3.447 1 1 1592 . 9 1 1 A 159 159 GLU N N 372 123.765 122.684 1.081 1 1 1593 . 9 1 1 A 160 160 THR H H 373 8.096 8.670 -0.574 1 1 1594 . 9 1 1 A 160 160 THR HA H 373 4.311 4.518 -0.207 1 1 1599 . 9 1 1 A 160 160 THR C C 373 173.701 173.980 -0.279 1 1 1600 . 9 1 1 A 160 160 THR CA C 373 61.845 62.016 -0.171 1 1 1601 . 9 1 1 A 160 160 THR CB C 373 69.760 69.569 0.191 1 1 1603 . 9 1 1 A 160 160 THR N N 373 114.143 115.323 -1.180 1 1 1604 . 9 1 1 A 161 161 ASP H H 374 8.387 8.115 0.272 1 1 1605 . 9 1 1 A 161 161 ASP HA H 374 4.625 4.814 -0.189 1 1 1608 . 9 1 1 A 161 161 ASP C C 374 175.806 176.010 -0.204 1 1 1609 . 9 1 1 A 161 161 ASP CA C 374 54.478 53.124 1.354 1 1 1610 . 9 1 1 A 161 161 ASP CB C 374 41.096 41.906 -0.810 1 1 1611 . 9 1 1 A 161 161 ASP N N 374 122.070 124.409 -2.339 1 1 1612 . 9 1 1 A 162 162 SER H H 375 8.175 8.628 -0.453 1 1 1613 . 9 1 1 A 162 162 SER HA H 375 4.385 3.998 0.387 1 1 1616 . 9 1 1 A 162 162 SER C C 375 174.169 173.732 0.437 1 1 1617 . 9 1 1 A 162 162 SER CA C 375 58.631 58.827 -0.196 1 1 1618 . 9 1 1 A 162 162 SER CB C 375 63.814 61.700 2.114 1 1 1619 . 9 1 1 A 162 162 SER N N 375 115.346 116.511 -1.165 1 1 1620 . 9 1 1 A 163 163 GLU H H 376 8.424 7.873 0.551 1 1 1621 . 9 1 1 A 163 163 GLU HA H 376 4.263 4.273 -0.010 1 1 1626 . 9 1 1 A 163 163 GLU C C 376 175.959 176.059 -0.100 1 1 1627 . 9 1 1 A 163 163 GLU CA C 376 56.567 57.452 -0.885 1 1 1628 . 9 1 1 A 163 163 GLU CB C 376 30.044 31.008 -0.964 1 1 1630 . 9 1 1 A 163 163 GLU N N 376 122.034 118.961 3.073 1 1 1631 . 9 1 1 A 164 164 GLU H H 377 8.298 8.296 0.002 1 1 1632 . 9 1 1 A 164 164 GLU HA H 377 4.224 4.447 -0.223 1 1 1637 . 9 1 1 A 164 164 GLU C C 377 175.816 177.775 -1.959 1 1 1638 . 9 1 1 A 164 164 GLU CA C 377 56.489 55.621 0.868 1 1 1639 . 9 1 1 A 164 164 GLU CB C 377 30.220 31.161 -0.941 1 1 1641 . 9 1 1 A 164 164 GLU N N 377 120.980 122.367 -1.387 1 1 1642 . 9 1 1 A 165 165 GLN H H 378 8.340 8.776 -0.436 1 1 1643 . 9 1 1 A 165 165 GLN HA H 378 4.563 4.050 0.513 1 1 1645 . 9 1 1 A 165 165 GLN C C 378 173.510 174.958 -1.448 1 1 1646 . 9 1 1 A 165 165 GLN CA C 378 53.530 60.891 -7.361 1 1 1647 . 9 1 1 A 165 165 GLN CB C 378 28.816 27.710 1.106 1 1 1649 . 9 1 1 A 165 165 GLN N N 378 121.693 124.488 -2.795 1 1 1650 . 9 1 1 A 166 166 PRO HA H 379 4.381 4.322 0.059 1 1 1657 . 9 1 1 A 166 166 PRO C C 379 176.081 176.216 -0.135 1 1 1658 . 9 1 1 A 166 166 PRO CA C 379 63.260 65.392 -2.132 1 1 1659 . 9 1 1 A 166 166 PRO CB C 379 32.010 31.529 0.481 1 1 1662 . 9 1 1 A 167 167 TYR H H 380 8.116 7.845 0.271 1 1 1663 . 9 1 1 A 167 167 TYR HA H 380 4.513 4.751 -0.238 1 1 1668 . 9 1 1 A 167 167 TYR C C 380 174.992 174.156 0.836 1 1 1669 . 9 1 1 A 167 167 TYR CA C 380 57.699 56.570 1.129 1 1 1670 . 9 1 1 A 167 167 TYR CB C 380 38.344 39.876 -1.532 1 1 1673 . 9 1 1 A 167 167 TYR N N 380 119.531 112.403 7.128 1 1 1674 . 9 1 1 A 168 168 LEU H H 381 7.953 8.346 -0.393 1 1 1675 . 9 1 1 A 168 168 LEU HA H 381 4.267 4.170 0.097 1 1 1685 . 9 1 1 A 168 168 LEU C C 381 176.162 175.757 0.405 1 1 1686 . 9 1 1 A 168 168 LEU CA C 381 54.808 54.157 0.651 1 1 1687 . 9 1 1 A 168 168 LEU CB C 381 42.735 43.512 -0.777 1 1 1691 . 9 1 1 A 168 168 LEU N N 381 124.133 118.693 5.440 1 1 1692 . 9 1 1 A 169 169 GLU H H 382 8.190 8.420 -0.230 1 1 1693 . 9 1 1 A 169 169 GLU HA H 382 4.167 4.743 -0.576 1 1 1698 . 9 1 1 A 169 169 GLU C C 382 175.881 175.610 0.271 1 1 1699 . 9 1 1 A 169 169 GLU CA C 382 56.655 55.112 1.543 1 1 1700 . 9 1 1 A 169 169 GLU CB C 382 30.058 31.666 -1.608 1 1 1702 . 9 1 1 A 169 169 GLU N N 382 121.131 118.850 2.281 1 1 1703 . 9 1 1 A 170 170 MET H H 383 8.214 8.754 -0.540 1 1 1704 . 9 1 1 A 170 170 MET HA H 383 4.377 5.127 -0.750 1 1 1709 . 9 1 1 A 170 170 MET C C 383 175.132 174.302 0.830 1 1 1710 . 9 1 1 A 170 170 MET CA C 383 55.606 54.426 1.180 1 1 1711 . 9 1 1 A 170 170 MET CB C 383 33.091 36.849 -3.758 1 1 1713 . 9 1 1 A 170 170 MET N N 383 120.601 120.643 -0.042 1 1 1714 . 9 1 1 A 171 171 ASP H H 384 8.358 8.710 -0.352 1 1 1715 . 9 1 1 A 171 171 ASP HA H 384 4.575 4.904 -0.329 1 1 1718 . 9 1 1 A 171 171 ASP C C 384 175.966 176.461 -0.495 1 1 1719 . 9 1 1 A 171 171 ASP CA C 384 53.741 53.284 0.457 1 1 1720 . 9 1 1 A 171 171 ASP CB C 384 40.571 43.773 -3.202 1 1 1721 . 9 1 1 A 171 171 ASP N N 384 121.104 121.670 -0.566 1 1 1722 . 9 1 1 A 172 172 LEU H H 385 8.285 8.846 -0.561 1 1 1723 . 9 1 1 A 172 172 LEU HA H 385 4.305 4.021 0.284 1 1 1733 . 9 1 1 A 172 172 LEU C C 385 177.140 177.053 0.087 1 1 1734 . 9 1 1 A 172 172 LEU CA C 385 55.122 55.662 -0.540 1 1 1735 . 9 1 1 A 172 172 LEU CB C 385 41.851 39.803 2.048 1 1 1739 . 9 1 1 A 172 172 LEU N N 385 123.115 125.194 -2.079 1 1 1740 . 9 1 1 A 173 173 SER H H 386 8.290 7.937 0.353 1 1 1741 . 9 1 1 A 173 173 SER N N 386 115.101 116.422 -1.321 1 1 1742 . 9 1 1 A 176 176 GLN HA H 389 4.383 4.722 -0.339 1 1 1749 . 9 1 1 A 176 176 GLN CA C 389 55.991 54.868 1.123 1 1 1750 . 9 1 1 A 176 176 GLN CB C 389 29.280 32.107 -2.827 1 1 1753 . 9 1 1 A 177 177 THR H H 390 6.958 8.735 -1.777 1 1 1754 . 9 1 1 A 177 177 THR HA H 390 3.970 4.444 -0.474 1 1 1759 . 9 1 1 A 177 177 THR C C 390 172.764 174.534 -1.770 1 1 1760 . 9 1 1 A 177 177 THR CA C 390 62.221 62.644 -0.423 1 1 1761 . 9 1 1 A 177 177 THR CB C 390 69.382 69.405 -0.023 1 1 1763 . 9 1 1 A 177 177 THR N N 390 115.463 123.091 -7.628 1 1 1764 . 9 1 1 A 178 178 ARG H H 391 7.873 8.455 -0.582 1 1 1765 . 9 1 1 A 178 178 ARG C C 391 174.982 175.637 -0.655 1 1 1766 . 9 1 1 A 178 178 ARG CA C 391 55.266 55.907 -0.641 1 1 1767 . 9 1 1 A 178 178 ARG CB C 391 31.052 31.439 -0.387 1 1 1769 . 9 1 1 A 178 178 ARG N N 391 122.116 125.707 -3.591 1 1 1770 . 9 1 1 A 179 179 TYR H H 392 8.812 8.760 0.052 1 1 1771 . 9 1 1 A 179 179 TYR HA H 392 4.621 4.964 -0.343 1 1 1776 . 9 1 1 A 179 179 TYR C C 392 174.337 174.677 -0.340 1 1 1777 . 9 1 1 A 179 179 TYR CA C 392 57.444 57.175 0.269 1 1 1778 . 9 1 1 A 179 179 TYR CB C 392 40.623 40.312 0.311 1 1 1781 . 9 1 1 A 179 179 TYR N N 392 118.296 119.527 -1.231 1 1 1782 . 9 1 1 A 180 180 ILE H H 393 7.254 8.764 -1.510 1 1 1783 . 9 1 1 A 180 180 ILE HA H 393 4.610 4.540 0.070 1 1 1793 . 9 1 1 A 180 180 ILE C C 393 171.654 173.791 -2.137 1 1 1794 . 9 1 1 A 180 180 ILE CA C 393 56.916 57.463 -0.547 1 1 1795 . 9 1 1 A 180 180 ILE CB C 393 39.736 41.925 -2.189 1 1 1799 . 9 1 1 A 180 180 ILE N N 393 108.609 121.088 -12.479 1 1 1800 . 9 1 1 A 181 181 PRO HA H 394 4.709 4.971 -0.262 1 1 1807 . 9 1 1 A 181 181 PRO C C 394 173.910 176.522 -2.612 1 1 1808 . 9 1 1 A 181 181 PRO CA C 394 62.144 62.845 -0.701 1 1 1809 . 9 1 1 A 181 181 PRO CB C 394 32.527 32.129 0.398 1 1 1812 . 9 1 1 A 182 182 ASP H H 395 8.296 8.342 -0.046 1 1 1813 . 9 1 1 A 182 182 ASP HA H 395 4.665 4.744 -0.079 1 1 1816 . 9 1 1 A 182 182 ASP C C 395 175.120 176.554 -1.434 1 1 1817 . 9 1 1 A 182 182 ASP CA C 395 52.455 53.679 -1.224 1 1 1818 . 9 1 1 A 182 182 ASP CB C 395 38.742 40.528 -1.786 1 1 1819 . 9 1 1 A 182 182 ASP N N 395 120.042 120.065 -0.023 1 1 1820 . 9 1 1 A 183 183 GLU H H 396 7.651 8.072 -0.421 1 1 1821 . 9 1 1 A 183 183 GLU HA H 396 4.492 4.512 -0.020 1 1 1826 . 9 1 1 A 183 183 GLU C C 396 173.702 175.794 -2.092 1 1 1827 . 9 1 1 A 183 183 GLU CA C 396 54.897 56.467 -1.570 1 1 1828 . 9 1 1 A 183 183 GLU CB C 396 32.509 31.372 1.137 1 1 1830 . 9 1 1 A 183 183 GLU N N 396 117.840 120.379 -2.539 1 1 1831 . 9 1 1 A 184 184 ALA H H 397 8.365 8.595 -0.230 1 1 1832 . 9 1 1 A 184 184 ALA HA H 397 4.394 4.971 -0.577 1 1 1836 . 9 1 1 A 184 184 ALA C C 397 175.829 176.091 -0.262 1 1 1837 . 9 1 1 A 184 184 ALA CA C 397 52.770 50.491 2.279 1 1 1838 . 9 1 1 A 184 184 ALA CB C 397 20.682 22.436 -1.754 1 1 1839 . 9 1 1 A 184 184 ALA N N 397 121.613 121.431 0.182 1 1 1840 . 9 1 1 A 185 185 ASP H H 398 7.245 8.714 -1.469 1 1 1841 . 9 1 1 A 185 185 ASP HA H 398 4.092 4.116 -0.024 1 1 1844 . 9 1 1 A 185 185 ASP C C 398 172.730 174.540 -1.810 1 1 1845 . 9 1 1 A 185 185 ASP CA C 398 56.144 55.462 0.682 1 1 1846 . 9 1 1 A 185 185 ASP CB C 398 39.841 39.310 0.531 1 1 1847 . 9 1 1 A 185 185 ASP N N 398 105.829 115.543 -9.714 1 1 1848 . 9 1 1 A 186 186 PHE H H 399 8.467 7.381 1.086 1 1 1849 . 9 1 1 A 186 186 PHE HA H 399 5.486 5.249 0.237 1 1 1852 . 9 1 1 A 186 186 PHE C C 399 176.218 174.108 2.110 1 1 1853 . 9 1 1 A 186 186 PHE CA C 399 57.959 56.647 1.312 1 1 1854 . 9 1 1 A 186 186 PHE CB C 399 44.529 44.145 0.384 1 1 1855 . 9 1 1 A 186 186 PHE N N 399 116.177 117.964 -1.787 1 1 1856 . 9 1 1 A 187 187 LEU H H 400 8.964 8.815 0.149 1 1 1857 . 9 1 1 A 187 187 LEU HA H 400 4.963 5.077 -0.114 1 1 1867 . 9 1 1 A 187 187 LEU C C 400 171.747 174.241 -2.494 1 1 1868 . 9 1 1 A 187 187 LEU CA C 400 55.422 53.731 1.691 1 1 1869 . 9 1 1 A 187 187 LEU CB C 400 45.641 46.070 -0.429 1 1 1873 . 9 1 1 A 187 187 LEU N N 400 121.383 121.381 0.002 1 1 1874 . 9 1 1 A 188 188 LEU H H 401 9.312 8.441 0.871 1 1 1875 . 9 1 1 A 188 188 LEU HA H 401 5.580 4.198 1.382 1 1 1885 . 9 1 1 A 188 188 LEU C C 401 173.853 177.188 -3.335 1 1 1886 . 9 1 1 A 188 188 LEU CA C 401 53.421 52.653 0.768 1 1 1887 . 9 1 1 A 188 188 LEU CB C 401 45.403 44.291 1.112 1 1 1891 . 9 1 1 A 188 188 LEU N N 401 128.151 127.646 0.505 1 1 1892 . 9 1 1 A 189 189 GLY H H 402 9.415 8.407 1.008 1 1 1893 . 9 1 1 A 189 189 GLY HA2 H 402 4.670 3.953 0.717 1 1 1894 . 9 1 1 A 189 189 GLY HA3 H 402 3.663 3.992 -0.329 1 1 1895 . 9 1 1 A 189 189 GLY C C 402 171.014 174.157 -3.143 1 1 1896 . 9 1 1 A 189 189 GLY CA C 402 44.967 45.490 -0.523 1 1 1897 . 9 1 1 A 189 189 GLY N N 402 115.881 112.536 3.345 1 1 1898 . 9 1 1 A 190 190 MET H H 403 8.118 7.739 0.379 1 1 1899 . 9 1 1 A 190 190 MET HA H 403 5.314 4.531 0.783 1 1 1907 . 9 1 1 A 190 190 MET C C 403 173.744 176.142 -2.398 1 1 1908 . 9 1 1 A 190 190 MET CA C 403 53.284 55.247 -1.963 1 1 1909 . 9 1 1 A 190 190 MET CB C 403 36.614 32.565 4.049 1 1 1912 . 9 1 1 A 190 190 MET N N 403 122.165 120.264 1.901 1 1 1934 . 9 1 1 A 203 203 ALA H H 416 8.076 8.289 -0.213 1 1 1935 . 9 1 1 A 203 203 ALA HA H 416 4.228 4.514 -0.286 1 1 1939 . 9 1 1 A 203 203 ALA C C 416 176.895 178.125 -1.230 1 1 1940 . 9 1 1 A 203 203 ALA CA C 416 52.743 51.913 0.830 1 1 1941 . 9 1 1 A 203 203 ALA CB C 416 18.723 19.811 -1.088 1 1 1942 . 9 1 1 A 203 203 ALA N N 416 119.053 124.795 -5.742 1 1 1943 . 9 1 1 A 204 204 GLU H H 417 7.784 9.047 -1.263 1 1 1944 . 9 1 1 A 204 204 GLU HA H 417 4.350 4.077 0.273 1 1 1949 . 9 1 1 A 204 204 GLU C C 417 175.678 177.607 -1.929 1 1 1950 . 9 1 1 A 204 204 GLU CA C 417 55.650 58.313 -2.663 1 1 1951 . 9 1 1 A 204 204 GLU CB C 417 30.312 29.973 0.339 1 1 1953 . 9 1 1 A 204 204 GLU N N 417 116.458 120.535 -4.077 1 1 1954 . 9 1 1 A 205 205 GLY H H 418 7.910 8.072 -0.162 1 1 1955 . 9 1 1 A 205 205 GLY CA C 418 43.804 46.808 -3.004 1 1 1956 . 9 1 1 A 205 205 GLY N N 418 108.024 107.346 0.678 1 1 1957 . 9 1 1 A 206 206 THR H H 419 8.364 8.326 0.038 1 1 1958 . 9 1 1 A 206 206 THR HA H 419 4.316 4.332 -0.016 1 1 1963 . 9 1 1 A 206 206 THR CA C 419 64.682 63.570 1.112 1 1 1964 . 9 1 1 A 206 206 THR CB C 419 69.304 68.883 0.421 1 1 1966 . 9 1 1 A 206 206 THR N N 419 115.417 114.557 0.860 1 1 1967 . 9 1 1 A 207 207 TRP HA H 420 4.116 5.039 -0.923 1 1 1976 . 9 1 1 A 207 207 TRP CA C 420 61.178 57.290 3.888 1 1 1977 . 9 1 1 A 207 207 TRP CB C 420 28.670 31.862 -3.192 1 1 1984 . 9 1 1 A 209 209 ILE H H 422 6.744 8.670 -1.926 1 1 1985 . 9 1 1 A 209 209 ILE HA H 422 3.349 3.830 -0.481 1 1 1993 . 9 1 1 A 209 209 ILE C C 422 178.143 177.531 0.612 1 1 1994 . 9 1 1 A 209 209 ILE CA C 422 60.865 64.664 -3.799 1 1 1995 . 9 1 1 A 209 209 ILE CB C 422 34.371 37.605 -3.234 1 1 1999 . 9 1 1 A 209 209 ILE N N 422 113.211 126.704 -13.493 1 1 2000 . 9 1 1 A 210 210 GLN H H 423 8.252 8.258 -0.006 1 1 2001 . 9 1 1 A 210 210 GLN HA H 423 3.548 3.931 -0.383 1 1 2006 . 9 1 1 A 210 210 GLN C C 423 179.079 178.767 0.312 1 1 2007 . 9 1 1 A 210 210 GLN CA C 423 58.795 59.022 -0.227 1 1 2008 . 9 1 1 A 210 210 GLN CB C 423 26.704 28.570 -1.866 1 1 2010 . 9 1 1 A 210 210 GLN N N 423 116.455 120.368 -3.913 1 1 2011 . 9 1 1 A 211 211 SER H H 424 8.162 7.891 0.271 1 1 2012 . 9 1 1 A 211 211 SER HA H 424 3.961 4.282 -0.321 1 1 2015 . 9 1 1 A 211 211 SER C C 424 179.150 176.595 2.555 1 1 2016 . 9 1 1 A 211 211 SER CA C 424 61.850 60.856 0.994 1 1 2017 . 9 1 1 A 211 211 SER CB C 424 62.214 63.136 -0.922 1 1 2018 . 9 1 1 A 211 211 SER N N 424 115.041 116.848 -1.807 1 1 2019 . 9 1 1 A 212 212 LEU H H 425 8.061 7.900 0.161 1 1 2020 . 9 1 1 A 212 212 LEU HA H 425 3.540 4.174 -0.634 1 1 2030 . 9 1 1 A 212 212 LEU C C 425 177.566 178.072 -0.506 1 1 2031 . 9 1 1 A 212 212 LEU CA C 425 58.548 57.477 1.071 1 1 2032 . 9 1 1 A 212 212 LEU CB C 425 41.665 41.931 -0.266 1 1 2036 . 9 1 1 A 212 212 LEU N N 425 124.082 121.801 2.281 1 1 2037 . 9 1 1 A 213 213 CYS H H 426 7.940 8.240 -0.300 1 1 2038 . 9 1 1 A 213 213 CYS HA H 426 3.628 4.056 -0.428 1 1 2041 . 9 1 1 A 213 213 CYS C C 426 175.741 175.824 -0.083 1 1 2042 . 9 1 1 A 213 213 CYS CA C 426 65.159 62.092 3.067 1 1 2043 . 9 1 1 A 213 213 CYS CB C 426 49.251 27.334 21.917 1 1 2044 . 9 1 1 A 213 213 CYS N N 426 114.351 117.707 -3.356 1 1 2045 . 9 1 1 A 214 214 GLN H H 427 7.510 7.626 -0.116 1 1 2046 . 9 1 1 A 214 214 GLN HA H 427 3.772 4.211 -0.439 1 1 2051 . 9 1 1 A 214 214 GLN C C 427 177.769 177.837 -0.068 1 1 2052 . 9 1 1 A 214 214 GLN CA C 427 59.019 57.054 1.965 1 1 2053 . 9 1 1 A 214 214 GLN CB C 427 27.718 29.020 -1.302 1 1 2055 . 9 1 1 A 214 214 GLN N N 427 117.399 117.681 -0.282 1 1 2056 . 9 1 1 A 215 215 SER H H 428 7.906 7.846 0.060 1 1 2057 . 9 1 1 A 215 215 SER HA H 428 4.173 4.545 -0.372 1 1 2060 . 9 1 1 A 215 215 SER CA C 428 62.653 60.591 2.062 1 1 2061 . 9 1 1 A 215 215 SER CB C 428 62.889 63.928 -1.039 1 1 2062 . 9 1 1 A 215 215 SER N N 428 113.799 116.106 -2.307 1 1 2063 . 9 1 1 A 216 216 LEU H H 429 8.505 8.194 0.311 1 1 2064 . 9 1 1 A 216 216 LEU HA H 429 4.156 3.996 0.160 1 1 2071 . 9 1 1 A 216 216 LEU C C 429 178.848 178.532 0.316 1 1 2072 . 9 1 1 A 216 216 LEU CA C 429 58.053 58.375 -0.322 1 1 2073 . 9 1 1 A 216 216 LEU CB C 429 41.222 41.678 -0.456 1 1 2076 . 9 1 1 A 216 216 LEU N N 429 121.357 120.219 1.138 1 1 2077 . 9 1 1 A 217 217 ARG H H 430 7.972 8.753 -0.781 1 1 2078 . 9 1 1 A 217 217 ARG HA H 430 3.850 4.196 -0.346 1 1 2085 . 9 1 1 A 217 217 ARG C C 430 178.237 176.776 1.461 1 1 2086 . 9 1 1 A 217 217 ARG CA C 430 59.472 59.052 0.420 1 1 2087 . 9 1 1 A 217 217 ARG CB C 430 30.256 29.972 0.284 1 1 2090 . 9 1 1 A 217 217 ARG N N 430 116.018 120.342 -4.324 1 1 2091 . 9 1 1 A 218 218 GLU H H 431 7.583 8.270 -0.687 1 1 2092 . 9 1 1 A 218 218 GLU HA H 431 4.119 4.422 -0.303 1 1 2096 . 9 1 1 A 218 218 GLU C C 431 178.377 176.742 1.635 1 1 2097 . 9 1 1 A 218 218 GLU CA C 431 58.207 55.779 2.428 1 1 2098 . 9 1 1 A 218 218 GLU CB C 431 30.548 29.747 0.801 1 1 2100 . 9 1 1 A 218 218 GLU N N 431 113.645 117.304 -3.659 1 1 2101 . 9 1 1 A 219 219 ARG H H 432 8.621 7.894 0.727 1 1 2102 . 9 1 1 A 219 219 ARG HA H 432 4.180 4.415 -0.235 1 1 2103 . 9 1 1 A 219 219 ARG C C 432 178.455 177.290 1.165 1 1 2104 . 9 1 1 A 219 219 ARG CA C 432 58.428 56.274 2.154 1 1 2105 . 9 1 1 A 219 219 ARG CB C 432 30.936 31.882 -0.946 1 1 2107 . 9 1 1 A 219 219 ARG N N 432 114.272 119.081 -4.809 1 1 2108 . 9 1 1 A 220 220 CYS H H 433 8.828 8.478 0.350 1 1 2109 . 9 1 1 A 220 220 CYS HA H 433 4.464 4.187 0.277 1 1 2112 . 9 1 1 A 220 220 CYS C C 433 176.708 175.340 1.368 1 1 2113 . 9 1 1 A 220 220 CYS CA C 433 66.312 63.559 2.753 1 1 2114 . 9 1 1 A 220 220 CYS CB C 433 47.095 25.677 21.418 1 1 2115 . 9 1 1 A 220 220 CYS N N 433 120.012 119.424 0.588 1 1 2116 . 9 1 1 A 221 221 PRO HA H 434 4.463 4.576 -0.113 1 1 2123 . 9 1 1 A 221 221 PRO C C 434 177.064 175.422 1.642 1 1 2124 . 9 1 1 A 221 221 PRO CA C 434 65.717 62.568 3.149 1 1 2125 . 9 1 1 A 221 221 PRO CB C 434 31.169 29.260 1.909 1 1 2128 . 9 1 1 A 222 222 ARG H H 435 6.904 8.942 -2.038 1 1 2129 . 9 1 1 A 222 222 ARG HA H 435 4.331 4.610 -0.279 1 1 2136 . 9 1 1 A 222 222 ARG C C 435 176.536 176.614 -0.078 1 1 2137 . 9 1 1 A 222 222 ARG CA C 435 55.901 56.376 -0.475 1 1 2138 . 9 1 1 A 222 222 ARG CB C 435 30.116 33.222 -3.106 1 1 2141 . 9 1 1 A 222 222 ARG N N 435 112.486 121.361 -8.875 1 1 2142 . 9 1 1 A 223 223 GLY H H 436 8.160 7.840 0.320 1 1 2143 . 9 1 1 A 223 223 GLY HA2 H 436 4.237 4.042 0.195 1 1 2144 . 9 1 1 A 223 223 GLY HA3 H 436 3.643 4.048 -0.405 1 1 2145 . 9 1 1 A 223 223 GLY C C 436 173.338 174.329 -0.991 1 1 2146 . 9 1 1 A 223 223 GLY CA C 436 43.988 45.268 -1.280 1 1 2147 . 9 1 1 A 223 223 GLY N N 436 105.931 106.758 -0.827 1 1 2148 . 9 1 1 A 224 224 ASP H H 437 6.891 8.096 -1.205 1 1 2149 . 9 1 1 A 224 224 ASP HA H 437 4.500 4.694 -0.194 1 1 2151 . 9 1 1 A 224 224 ASP C C 437 173.806 175.689 -1.883 1 1 2152 . 9 1 1 A 224 224 ASP CA C 437 54.576 54.156 0.420 1 1 2153 . 9 1 1 A 224 224 ASP CB C 437 40.588 41.808 -1.220 1 1 2154 . 9 1 1 A 224 224 ASP N N 437 119.342 120.901 -1.559 1 1 2155 . 9 1 1 A 225 225 ASP H H 438 8.054 8.605 -0.551 1 1 2156 . 9 1 1 A 225 225 ASP HA H 438 4.912 4.988 -0.076 1 1 2159 . 9 1 1 A 225 225 ASP C C 438 175.631 176.524 -0.893 1 1 2160 . 9 1 1 A 225 225 ASP CA C 438 52.579 53.209 -0.630 1 1 2161 . 9 1 1 A 225 225 ASP CB C 438 42.616 41.733 0.883 1 1 2162 . 9 1 1 A 225 225 ASP N N 438 117.877 120.020 -2.143 1 1 2163 . 9 1 1 A 226 226 ILE H H 439 9.101 8.750 0.351 1 1 2164 . 9 1 1 A 226 226 ILE HA H 439 3.621 3.873 -0.252 1 1 2174 . 9 1 1 A 226 226 ILE C C 439 176.146 177.747 -1.601 1 1 2175 . 9 1 1 A 226 226 ILE CA C 439 62.602 63.768 -1.166 1 1 2176 . 9 1 1 A 226 226 ILE CB C 439 36.530 37.905 -1.375 1 1 2180 . 9 1 1 A 226 226 ILE N N 439 118.352 122.979 -4.627 1 1 2181 . 9 1 1 A 227 227 LEU H H 440 7.814 7.974 -0.160 1 1 2182 . 9 1 1 A 227 227 LEU HA H 440 3.918 3.923 -0.005 1 1 2192 . 9 1 1 A 227 227 LEU C C 440 179.397 179.300 0.097 1 1 2193 . 9 1 1 A 227 227 LEU CA C 440 58.566 57.954 0.612 1 1 2194 . 9 1 1 A 227 227 LEU CB C 440 40.819 41.654 -0.835 1 1 2198 . 9 1 1 A 227 227 LEU N N 440 119.906 121.151 -1.245 1 1 2199 . 9 1 1 A 228 228 THR H H 441 7.665 7.933 -0.268 1 1 2200 . 9 1 1 A 228 228 THR HA H 441 4.289 3.957 0.332 1 1 2205 . 9 1 1 A 228 228 THR C C 441 179.489 176.639 2.850 1 1 2206 . 9 1 1 A 228 228 THR CA C 441 61.837 66.463 -4.626 1 1 2207 . 9 1 1 A 228 228 THR CB C 441 69.979 68.769 1.210 1 1 2209 . 9 1 1 A 228 228 THR N N 441 120.011 114.749 5.262 1 1 2210 . 9 1 1 A 229 229 ILE H H 442 7.807 7.949 -0.142 1 1 2211 . 9 1 1 A 229 229 ILE HA H 442 3.300 3.601 -0.301 1 1 2221 . 9 1 1 A 229 229 ILE C C 442 177.728 178.014 -0.286 1 1 2222 . 9 1 1 A 229 229 ILE CA C 442 66.069 64.975 1.094 1 1 2223 . 9 1 1 A 229 229 ILE CB C 442 38.260 37.567 0.693 1 1 2227 . 9 1 1 A 229 229 ILE N N 442 119.411 120.915 -1.504 1 1 2228 . 9 1 1 A 230 230 LEU H H 443 8.530 7.556 0.974 1 1 2229 . 9 1 1 A 230 230 LEU HA H 443 3.958 3.990 -0.032 1 1 2239 . 9 1 1 A 230 230 LEU C C 443 178.689 177.944 0.745 1 1 2240 . 9 1 1 A 230 230 LEU CA C 443 57.697 57.408 0.289 1 1 2241 . 9 1 1 A 230 230 LEU CB C 443 42.191 41.857 0.334 1 1 2245 . 9 1 1 A 230 230 LEU N N 443 116.186 120.516 -4.330 1 1 2246 . 9 1 1 A 231 231 THR H H 444 8.008 7.946 0.062 1 1 2247 . 9 1 1 A 231 231 THR HA H 444 4.153 4.612 -0.459 1 1 2252 . 9 1 1 A 231 231 THR C C 444 175.208 175.542 -0.334 1 1 2253 . 9 1 1 A 231 231 THR CA C 444 65.327 61.484 3.843 1 1 2254 . 9 1 1 A 231 231 THR CB C 444 69.718 69.309 0.409 1 1 2256 . 9 1 1 A 231 231 THR N N 444 112.075 107.604 4.471 1 1 2257 . 9 1 1 A 232 232 GLU H H 445 7.717 8.853 -1.136 1 1 2258 . 9 1 1 A 232 232 GLU HA H 445 4.186 4.098 0.088 1 1 2259 . 9 1 1 A 232 232 GLU C C 445 177.156 177.562 -0.406 1 1 2260 . 9 1 1 A 232 232 GLU CA C 445 57.891 58.859 -0.968 1 1 2261 . 9 1 1 A 232 232 GLU CB C 445 28.836 28.741 0.095 1 1 2263 . 9 1 1 A 232 232 GLU N N 445 120.074 123.103 -3.029 1 1 2294 . 9 1 1 A 252 252 GLN H H 465 8.586 8.639 -0.053 1 1 2295 . 9 1 1 A 252 252 GLN HA H 465 4.689 4.719 -0.030 1 1 2296 . 9 1 1 A 252 252 GLN C C 465 174.446 173.035 1.411 1 1 2297 . 9 1 1 A 252 252 GLN CA C 465 53.682 53.828 -0.146 1 1 2298 . 9 1 1 A 252 252 GLN CB C 465 28.537 30.871 -2.334 1 1 2300 . 9 1 1 A 252 252 GLN N N 465 121.782 117.623 4.159 1 1 2301 . 9 1 1 A 253 253 PRO HA H 466 4.902 4.759 0.143 1 1 2302 . 9 1 1 A 253 253 PRO C C 466 174.937 175.575 -0.638 1 1 2303 . 9 1 1 A 253 253 PRO CA C 466 63.075 62.529 0.546 1 1 2304 . 9 1 1 A 253 253 PRO CB C 466 32.384 32.974 -0.590 1 1 2307 . 9 1 1 A 254 254 THR H H 467 8.556 8.540 0.016 1 1 2308 . 9 1 1 A 254 254 THR HA H 467 4.659 4.457 0.202 1 1 2313 . 9 1 1 A 254 254 THR C C 467 172.995 173.830 -0.835 1 1 2314 . 9 1 1 A 254 254 THR CA C 467 61.740 61.599 0.141 1 1 2315 . 9 1 1 A 254 254 THR CB C 467 70.195 68.434 1.761 1 1 2317 . 9 1 1 A 254 254 THR N N 467 115.754 116.174 -0.420 1 1 2318 . 9 1 1 A 255 255 PHE H H 468 8.560 8.462 0.098 1 1 2319 . 9 1 1 A 255 255 PHE HA H 468 5.502 5.664 -0.162 1 1 2322 . 9 1 1 A 255 255 PHE C C 468 173.198 174.739 -1.541 1 1 2323 . 9 1 1 A 255 255 PHE CA C 468 56.283 55.554 0.729 1 1 2324 . 9 1 1 A 255 255 PHE CB C 468 43.426 41.203 2.223 1 1 2325 . 9 1 1 A 255 255 PHE N N 468 120.481 124.109 -3.628 1 1 2326 . 9 1 1 A 256 256 THR H H 469 9.702 8.931 0.771 1 1 2327 . 9 1 1 A 256 256 THR HA H 469 4.662 5.110 -0.448 1 1 2332 . 9 1 1 A 256 256 THR C C 469 176.561 173.328 3.233 1 1 2333 . 9 1 1 A 256 256 THR CA C 469 59.948 61.101 -1.153 1 1 2334 . 9 1 1 A 256 256 THR CB C 469 69.145 70.419 -1.274 1 1 2336 . 9 1 1 A 256 256 THR N N 469 108.601 114.558 -5.957 1 1 2337 . 9 1 1 A 257 257 LEU H H 470 7.235 8.959 -1.724 1 1 2338 . 9 1 1 A 257 257 LEU HA H 470 4.401 4.949 -0.548 1 1 2348 . 9 1 1 A 257 257 LEU C C 470 175.975 176.443 -0.468 1 1 2349 . 9 1 1 A 257 257 LEU CA C 470 55.492 53.281 2.211 1 1 2350 . 9 1 1 A 257 257 LEU CB C 470 41.850 46.358 -4.508 1 1 2354 . 9 1 1 A 257 257 LEU N N 470 120.802 127.291 -6.489 1 1 2355 . 9 1 1 A 258 258 ARG H H 471 8.228 8.740 -0.512 1 1 2356 . 9 1 1 A 258 258 ARG HA H 471 4.631 4.332 0.299 1 1 2363 . 9 1 1 A 258 258 ARG C C 471 174.114 176.056 -1.942 1 1 2364 . 9 1 1 A 258 258 ARG CA C 471 55.071 57.233 -2.162 1 1 2365 . 9 1 1 A 258 258 ARG CB C 471 32.470 30.820 1.650 1 1 2368 . 9 1 1 A 258 258 ARG N N 471 118.883 122.161 -3.278 1 1 2369 . 9 1 1 A 259 259 LYS H H 472 7.217 7.689 -0.472 1 1 2370 . 9 1 1 A 259 259 LYS HA H 472 4.260 4.740 -0.480 1 1 2379 . 9 1 1 A 259 259 LYS C C 472 174.571 175.198 -0.627 1 1 2380 . 9 1 1 A 259 259 LYS CA C 472 53.269 54.450 -1.181 1 1 2381 . 9 1 1 A 259 259 LYS CB C 472 36.332 35.428 0.904 1 1 2385 . 9 1 1 A 259 259 LYS N N 472 116.031 117.629 -1.598 1 1 2386 . 9 1 1 A 260 260 LYS H H 473 8.357 8.625 -0.268 1 1 2387 . 9 1 1 A 260 260 LYS HA H 473 4.297 4.436 -0.139 1 1 2396 . 9 1 1 A 260 260 LYS C C 473 174.137 175.719 -1.582 1 1 2397 . 9 1 1 A 260 260 LYS CA C 473 57.258 57.019 0.239 1 1 2398 . 9 1 1 A 260 260 LYS CB C 473 33.561 33.380 0.181 1 1 2402 . 9 1 1 A 260 260 LYS N N 473 119.377 122.246 -2.869 1 1 2403 . 9 1 1 A 261 261 LEU H H 474 9.288 8.856 0.432 1 1 2404 . 9 1 1 A 261 261 LEU HA H 474 5.048 4.766 0.282 1 1 2414 . 9 1 1 A 261 261 LEU C C 474 172.558 175.824 -3.266 1 1 2415 . 9 1 1 A 261 261 LEU CA C 474 53.327 53.607 -0.280 1 1 2416 . 9 1 1 A 261 261 LEU CB C 474 44.313 42.878 1.435 1 1 2420 . 9 1 1 A 261 261 LEU N N 474 126.482 127.661 -1.179 1 1 2421 . 9 1 1 A 262 262 VAL H H 475 8.876 7.289 1.587 1 1 2422 . 9 1 1 A 262 262 VAL HA H 475 4.238 4.108 0.130 1 1 2430 . 9 1 1 A 262 262 VAL C C 475 174.243 175.636 -1.393 1 1 2431 . 9 1 1 A 262 262 VAL CA C 475 59.734 63.204 -3.470 1 1 2432 . 9 1 1 A 262 262 VAL CB C 475 34.790 32.333 2.457 1 1 2435 . 9 1 1 A 262 262 VAL N N 475 124.316 122.030 2.286 1 1 2436 . 9 1 1 A 263 263 PHE H H 476 8.826 8.848 -0.022 1 1 2437 . 9 1 1 A 263 263 PHE HA H 476 5.518 4.762 0.756 1 1 2443 . 9 1 1 A 263 263 PHE C C 476 171.887 174.530 -2.643 1 1 2444 . 9 1 1 A 263 263 PHE CA C 476 52.082 55.510 -3.428 1 1 2445 . 9 1 1 A 263 263 PHE CB C 476 39.792 39.335 0.457 1 1 2449 . 9 1 1 A 263 263 PHE N N 476 122.867 126.906 -4.039 1 1 2450 . 9 1 1 A 264 264 PRO HA H 477 4.649 4.606 0.043 1 1 2457 . 9 1 1 A 264 264 PRO C C 477 178.322 176.655 1.667 1 1 2458 . 9 1 1 A 264 264 PRO CA C 477 62.333 62.469 -0.136 1 1 2459 . 9 1 1 A 264 264 PRO CB C 477 32.553 33.335 -0.782 1 1 2462 . 9 1 1 A 265 265 SER H H 478 8.763 8.677 0.086 1 1 2463 . 9 1 1 A 265 265 SER HA H 478 4.494 4.253 0.241 1 1 2466 . 9 1 1 A 265 265 SER C C 478 173.725 174.397 -0.672 1 1 2467 . 9 1 1 A 265 265 SER CA C 478 59.060 59.885 -0.825 1 1 2468 . 9 1 1 A 265 265 SER CB C 478 64.038 63.791 0.247 1 1 2469 . 9 1 1 A 265 265 SER N N 478 116.725 115.939 0.786 1 1 17 . 10 1 1 A 12 12 VAL H H 225 7.819 8.301 -0.482 1 1 18 . 10 1 1 A 12 12 VAL HA H 225 4.946 3.785 1.161 1 1 26 . 10 1 1 A 12 12 VAL C C 225 175.898 176.165 -0.267 1 1 27 . 10 1 1 A 12 12 VAL CA C 225 59.650 62.460 -2.810 1 1 28 . 10 1 1 A 12 12 VAL CB C 225 35.296 31.822 3.474 1 1 31 . 10 1 1 A 12 12 VAL N N 225 117.637 123.059 -5.422 1 1 32 . 10 1 1 A 13 13 TYR H H 226 8.318 8.965 -0.647 1 1 33 . 10 1 1 A 13 13 TYR HA H 226 4.291 4.252 0.039 1 1 36 . 10 1 1 A 13 13 TYR C C 226 176.911 175.388 1.523 1 1 37 . 10 1 1 A 13 13 TYR CA C 226 60.063 59.037 1.026 1 1 38 . 10 1 1 A 13 13 TYR CB C 226 37.843 36.323 1.520 1 1 39 . 10 1 1 A 13 13 TYR N N 226 122.976 128.432 -5.456 1 1 40 . 10 1 1 A 14 14 GLN H H 227 9.128 7.134 1.994 1 1 41 . 10 1 1 A 14 14 GLN HA H 227 3.996 4.306 -0.310 1 1 46 . 10 1 1 A 14 14 GLN C C 227 175.052 175.767 -0.715 1 1 47 . 10 1 1 A 14 14 GLN CA C 227 57.421 54.706 2.715 1 1 48 . 10 1 1 A 14 14 GLN CB C 227 29.550 28.646 0.904 1 1 50 . 10 1 1 A 14 14 GLN N N 227 124.676 120.591 4.085 1 1 51 . 10 1 1 A 15 15 MET H H 228 8.465 7.851 0.614 1 1 52 . 10 1 1 A 15 15 MET HA H 228 5.210 4.522 0.688 1 1 60 . 10 1 1 A 15 15 MET C C 228 172.979 175.564 -2.585 1 1 61 . 10 1 1 A 15 15 MET CA C 228 52.955 54.383 -1.428 1 1 62 . 10 1 1 A 15 15 MET CB C 228 30.751 31.738 -0.987 1 1 65 . 10 1 1 A 15 15 MET N N 228 128.835 118.633 10.202 1 1 66 . 10 1 1 A 16 16 LYS H H 229 9.119 8.409 0.710 1 1 67 . 10 1 1 A 16 16 LYS HA H 229 4.558 4.595 -0.037 1 1 76 . 10 1 1 A 16 16 LYS C C 229 176.209 175.738 0.471 1 1 77 . 10 1 1 A 16 16 LYS CA C 229 55.916 54.747 1.169 1 1 78 . 10 1 1 A 16 16 LYS CB C 229 35.555 35.081 0.474 1 1 82 . 10 1 1 A 16 16 LYS N N 229 120.235 122.316 -2.081 1 1 83 . 10 1 1 A 17 17 SER H H 230 9.101 8.608 0.493 1 1 84 . 10 1 1 A 17 17 SER HA H 230 4.077 4.103 -0.026 1 1 87 . 10 1 1 A 17 17 SER C C 230 172.995 173.572 -0.577 1 1 88 . 10 1 1 A 17 17 SER CA C 230 59.615 59.658 -0.043 1 1 89 . 10 1 1 A 17 17 SER CB C 230 64.482 61.761 2.721 1 1 90 . 10 1 1 A 17 17 SER N N 230 121.500 112.550 8.950 1 1 91 . 10 1 1 A 18 18 LYS H H 231 8.120 7.643 0.477 1 1 92 . 10 1 1 A 18 18 LYS HA H 231 4.373 4.808 -0.435 1 1 101 . 10 1 1 A 18 18 LYS C C 231 173.565 174.833 -1.268 1 1 102 . 10 1 1 A 18 18 LYS CA C 231 53.231 53.254 -0.023 1 1 103 . 10 1 1 A 18 18 LYS CB C 231 34.596 33.356 1.240 1 1 107 . 10 1 1 A 18 18 LYS N N 231 120.561 119.684 0.877 1 1 108 . 10 1 1 A 19 19 PRO HA H 232 4.898 4.673 0.225 1 1 115 . 10 1 1 A 19 19 PRO C C 232 176.162 177.051 -0.889 1 1 116 . 10 1 1 A 19 19 PRO CA C 232 62.838 62.193 0.645 1 1 117 . 10 1 1 A 19 19 PRO CB C 232 34.997 33.073 1.924 1 1 120 . 10 1 1 A 20 20 ARG H H 233 8.782 8.991 -0.209 1 1 121 . 10 1 1 A 20 20 ARG HA H 233 3.651 4.155 -0.504 1 1 122 . 10 1 1 A 20 20 ARG C C 233 175.210 176.856 -1.646 1 1 123 . 10 1 1 A 20 20 ARG CA C 233 56.621 57.798 -1.177 1 1 124 . 10 1 1 A 20 20 ARG CB C 233 30.581 30.843 -0.262 1 1 127 . 10 1 1 A 20 20 ARG N N 233 118.785 119.935 -1.150 1 1 128 . 10 1 1 A 21 21 GLY H H 234 6.490 7.326 -0.836 1 1 129 . 10 1 1 A 21 21 GLY HA2 H 234 4.312 3.771 0.541 1 1 130 . 10 1 1 A 21 21 GLY HA3 H 234 4.662 3.977 0.685 1 1 131 . 10 1 1 A 21 21 GLY C C 234 172.012 172.408 -0.396 1 1 132 . 10 1 1 A 21 21 GLY CA C 234 43.743 44.280 -0.537 1 1 133 . 10 1 1 A 21 21 GLY N N 234 128.529 105.538 22.991 1 1 134 . 10 1 1 A 22 22 TYR H H 235 9.327 8.358 0.969 1 1 135 . 10 1 1 A 22 22 TYR HA H 235 5.260 5.457 -0.197 1 1 140 . 10 1 1 A 22 22 TYR C C 235 173.931 174.971 -1.040 1 1 141 . 10 1 1 A 22 22 TYR CA C 235 58.287 56.887 1.400 1 1 142 . 10 1 1 A 22 22 TYR CB C 235 39.762 39.725 0.037 1 1 145 . 10 1 1 A 22 22 TYR N N 235 119.429 119.559 -0.130 1 1 146 . 10 1 1 A 23 23 CYS H H 236 8.665 8.601 0.064 1 1 147 . 10 1 1 A 23 23 CYS HA H 236 4.928 4.525 0.403 1 1 148 . 10 1 1 A 23 23 CYS C C 236 172.970 174.055 -1.085 1 1 149 . 10 1 1 A 23 23 CYS CA C 236 55.636 58.626 -2.990 1 1 150 . 10 1 1 A 23 23 CYS CB C 236 50.040 29.996 20.044 1 1 151 . 10 1 1 A 23 23 CYS N N 236 120.485 124.593 -4.108 1 1 152 . 10 1 1 A 24 24 LEU H H 237 8.619 8.932 -0.313 1 1 153 . 10 1 1 A 24 24 LEU HA H 237 4.691 5.062 -0.371 1 1 163 . 10 1 1 A 24 24 LEU C C 237 175.850 175.402 0.448 1 1 164 . 10 1 1 A 24 24 LEU CA C 237 54.053 53.564 0.489 1 1 165 . 10 1 1 A 24 24 LEU CB C 237 44.117 43.669 0.448 1 1 169 . 10 1 1 A 24 24 LEU N N 237 129.465 121.499 7.966 1 1 170 . 10 1 1 A 25 25 ILE H H 238 8.304 9.474 -1.170 1 1 171 . 10 1 1 A 25 25 ILE HA H 238 4.639 4.860 -0.221 1 1 179 . 10 1 1 A 25 25 ILE C C 238 174.032 174.986 -0.954 1 1 180 . 10 1 1 A 25 25 ILE CA C 238 60.879 59.821 1.058 1 1 181 . 10 1 1 A 25 25 ILE CB C 238 41.165 40.732 0.433 1 1 185 . 10 1 1 A 25 25 ILE N N 238 122.597 125.406 -2.809 1 1 186 . 10 1 1 A 26 26 ILE H H 239 9.025 9.002 0.023 1 1 187 . 10 1 1 A 26 26 ILE HA H 239 4.778 5.046 -0.268 1 1 197 . 10 1 1 A 26 26 ILE C C 239 173.104 174.490 -1.386 1 1 198 . 10 1 1 A 26 26 ILE CA C 239 60.733 59.587 1.146 1 1 199 . 10 1 1 A 26 26 ILE CB C 239 38.237 41.038 -2.801 1 1 203 . 10 1 1 A 26 26 ILE N N 239 129.303 127.300 2.003 1 1 204 . 10 1 1 A 27 27 ASN H H 240 8.957 9.148 -0.191 1 1 205 . 10 1 1 A 27 27 ASN HA H 240 5.174 5.387 -0.213 1 1 208 . 10 1 1 A 27 27 ASN C C 240 172.948 174.075 -1.127 1 1 209 . 10 1 1 A 27 27 ASN CA C 240 52.055 51.530 0.525 1 1 210 . 10 1 1 A 27 27 ASN CB C 240 40.530 42.947 -2.417 1 1 211 . 10 1 1 A 27 27 ASN N N 240 125.494 123.223 2.271 1 1 212 . 10 1 1 A 28 28 ASN H H 241 9.118 8.846 0.272 1 1 213 . 10 1 1 A 28 28 ASN HA H 241 5.106 5.338 -0.232 1 1 216 . 10 1 1 A 28 28 ASN C C 241 172.184 175.030 -2.846 1 1 217 . 10 1 1 A 28 28 ASN CA C 241 52.599 52.067 0.532 1 1 218 . 10 1 1 A 28 28 ASN CB C 241 38.296 42.798 -4.502 1 1 219 . 10 1 1 A 28 28 ASN N N 241 125.089 117.893 7.196 1 1 220 . 10 1 1 A 29 29 HIS H H 242 9.512 8.764 0.748 1 1 221 . 10 1 1 A 29 29 HIS HA H 242 4.384 4.862 -0.478 1 1 224 . 10 1 1 A 29 29 HIS C C 242 173.519 174.312 -0.793 1 1 225 . 10 1 1 A 29 29 HIS CA C 242 59.174 57.581 1.593 1 1 226 . 10 1 1 A 29 29 HIS CB C 242 28.022 31.355 -3.333 1 1 227 . 10 1 1 A 29 29 HIS N N 242 125.634 122.283 3.351 1 1 228 . 10 1 1 A 30 30 ASN H H 243 8.623 7.933 0.690 1 1 229 . 10 1 1 A 30 30 ASN HA H 243 4.148 4.737 -0.589 1 1 234 . 10 1 1 A 30 30 ASN C C 243 175.052 174.743 0.309 1 1 235 . 10 1 1 A 30 30 ASN CA C 243 53.229 51.697 1.532 1 1 236 . 10 1 1 A 30 30 ASN CB C 243 38.980 41.738 -2.758 1 1 237 . 10 1 1 A 30 30 ASN N N 243 119.059 115.919 3.140 1 1 239 . 10 1 1 A 31 31 PHE H H 244 8.676 7.944 0.732 1 1 240 . 10 1 1 A 31 31 PHE HA H 244 4.686 5.244 -0.558 1 1 243 . 10 1 1 A 31 31 PHE C C 244 174.399 176.625 -2.226 1 1 244 . 10 1 1 A 31 31 PHE CA C 244 57.688 56.904 0.784 1 1 245 . 10 1 1 A 31 31 PHE CB C 244 39.026 40.441 -1.415 1 1 246 . 10 1 1 A 31 31 PHE N N 244 124.091 121.798 2.293 1 1 247 . 10 1 1 A 32 32 ALA H H 245 8.244 7.742 0.502 1 1 248 . 10 1 1 A 32 32 ALA HA H 245 3.869 4.104 -0.235 1 1 252 . 10 1 1 A 32 32 ALA C C 245 180.452 179.123 1.329 1 1 253 . 10 1 1 A 32 32 ALA CA C 245 56.274 55.272 1.002 1 1 254 . 10 1 1 A 32 32 ALA CB C 245 18.181 18.453 -0.272 1 1 255 . 10 1 1 A 32 32 ALA N N 245 122.713 123.669 -0.956 1 1 256 . 10 1 1 A 33 33 LYS H H 246 8.964 8.091 0.873 1 1 257 . 10 1 1 A 33 33 LYS HA H 246 4.089 4.266 -0.177 1 1 266 . 10 1 1 A 33 33 LYS C C 246 177.441 177.491 -0.050 1 1 267 . 10 1 1 A 33 33 LYS CA C 246 58.632 57.335 1.297 1 1 268 . 10 1 1 A 33 33 LYS CB C 246 30.418 32.077 -1.659 1 1 272 . 10 1 1 A 33 33 LYS N N 246 116.888 116.496 0.392 1 1 273 . 10 1 1 A 34 34 ALA H H 247 7.088 7.833 -0.745 1 1 274 . 10 1 1 A 34 34 ALA HA H 247 3.752 4.435 -0.683 1 1 278 . 10 1 1 A 34 34 ALA C C 247 177.581 178.844 -1.263 1 1 279 . 10 1 1 A 34 34 ALA CA C 247 55.502 52.120 3.382 1 1 280 . 10 1 1 A 34 34 ALA CB C 247 18.099 19.683 -1.584 1 1 281 . 10 1 1 A 34 34 ALA N N 247 122.047 121.001 1.046 1 1 282 . 10 1 1 A 35 35 ARG H H 248 7.706 8.564 -0.858 1 1 283 . 10 1 1 A 35 35 ARG HA H 248 4.338 4.147 0.191 1 1 292 . 10 1 1 A 35 35 ARG C C 248 179.094 177.245 1.849 1 1 293 . 10 1 1 A 35 35 ARG CA C 248 56.283 58.004 -1.721 1 1 294 . 10 1 1 A 35 35 ARG CB C 248 30.668 29.275 1.393 1 1 297 . 10 1 1 A 35 35 ARG N N 248 112.008 119.211 -7.203 1 1 299 . 10 1 1 A 36 36 GLU H H 249 7.707 8.016 -0.309 1 1 300 . 10 1 1 A 36 36 GLU HA H 249 4.121 4.578 -0.457 1 1 305 . 10 1 1 A 36 36 GLU C C 249 178.205 178.784 -0.579 1 1 306 . 10 1 1 A 36 36 GLU CA C 249 58.194 57.935 0.259 1 1 307 . 10 1 1 A 36 36 GLU CB C 249 30.596 31.859 -1.263 1 1 309 . 10 1 1 A 36 36 GLU N N 249 116.945 119.376 -2.431 1 1 310 . 10 1 1 A 37 37 LYS H H 250 7.954 8.161 -0.207 1 1 311 . 10 1 1 A 37 37 LYS HA H 250 4.381 4.227 0.154 1 1 320 . 10 1 1 A 37 37 LYS C C 250 176.772 177.477 -0.705 1 1 321 . 10 1 1 A 37 37 LYS CA C 250 57.323 58.915 -1.592 1 1 322 . 10 1 1 A 37 37 LYS CB C 250 34.892 32.819 2.073 1 1 326 . 10 1 1 A 37 37 LYS N N 250 114.798 120.450 -5.652 1 1 327 . 10 1 1 A 38 38 VAL H H 251 8.298 8.225 0.073 1 1 328 . 10 1 1 A 38 38 VAL HA H 251 4.582 4.485 0.097 1 1 336 . 10 1 1 A 38 38 VAL C C 251 174.903 174.885 0.018 1 1 337 . 10 1 1 A 38 38 VAL CA C 251 60.316 59.292 1.024 1 1 338 . 10 1 1 A 38 38 VAL CB C 251 32.374 31.523 0.851 1 1 341 . 10 1 1 A 38 38 VAL N N 251 120.907 113.172 7.735 1 1 342 . 10 1 1 A 40 40 LYS H H 253 8.588 8.708 -0.120 1 1 343 . 10 1 1 A 40 40 LYS HA H 253 4.275 4.516 -0.241 1 1 352 . 10 1 1 A 40 40 LYS C C 253 176.447 176.833 -0.386 1 1 353 . 10 1 1 A 40 40 LYS CA C 253 58.550 55.941 2.609 1 1 354 . 10 1 1 A 40 40 LYS CB C 253 31.568 34.396 -2.828 1 1 358 . 10 1 1 A 40 40 LYS N N 253 113.861 118.051 -4.190 1 1 359 . 10 1 1 A 41 41 LEU H H 254 7.948 7.622 0.326 1 1 360 . 10 1 1 A 41 41 LEU HA H 254 4.391 4.042 0.349 1 1 370 . 10 1 1 A 41 41 LEU C C 254 175.989 177.469 -1.480 1 1 371 . 10 1 1 A 41 41 LEU CA C 254 53.279 55.574 -2.295 1 1 372 . 10 1 1 A 41 41 LEU CB C 254 40.369 41.305 -0.936 1 1 376 . 10 1 1 A 41 41 LEU N N 254 118.998 119.893 -0.895 1 1 377 . 10 1 1 A 42 42 HIS H H 255 7.167 7.870 -0.703 1 1 378 . 10 1 1 A 42 42 HIS HA H 255 4.376 4.682 -0.306 1 1 382 . 10 1 1 A 42 42 HIS C C 255 174.836 176.563 -1.727 1 1 383 . 10 1 1 A 42 42 HIS CA C 255 59.188 56.517 2.671 1 1 384 . 10 1 1 A 42 42 HIS CB C 255 30.311 30.734 -0.423 1 1 386 . 10 1 1 A 42 42 HIS N N 255 116.251 117.818 -1.567 1 1 387 . 10 1 1 A 43 43 SER H H 256 7.735 7.066 0.669 1 1 388 . 10 1 1 A 43 43 SER HA H 256 4.490 3.863 0.627 1 1 391 . 10 1 1 A 43 43 SER C C 256 174.045 174.414 -0.369 1 1 392 . 10 1 1 A 43 43 SER CA C 256 56.420 59.590 -3.170 1 1 393 . 10 1 1 A 43 43 SER CB C 256 64.093 62.781 1.312 1 1 394 . 10 1 1 A 43 43 SER N N 256 110.725 112.303 -1.578 1 1 395 . 10 1 1 A 44 44 ILE H H 257 7.403 7.003 0.400 1 1 396 . 10 1 1 A 44 44 ILE HA H 257 3.806 3.855 -0.049 1 1 406 . 10 1 1 A 44 44 ILE C C 257 174.321 175.932 -1.611 1 1 407 . 10 1 1 A 44 44 ILE CA C 257 61.640 60.887 0.753 1 1 408 . 10 1 1 A 44 44 ILE CB C 257 38.324 38.338 -0.014 1 1 412 . 10 1 1 A 44 44 ILE N N 257 124.717 119.733 4.984 1 1 413 . 10 1 1 A 45 45 ARG H H 258 8.043 8.524 -0.481 1 1 414 . 10 1 1 A 45 45 ARG HA H 258 4.201 4.579 -0.378 1 1 421 . 10 1 1 A 45 45 ARG C C 258 177.535 177.093 0.442 1 1 422 . 10 1 1 A 45 45 ARG CA C 258 55.412 55.521 -0.109 1 1 423 . 10 1 1 A 45 45 ARG CB C 258 31.546 30.656 0.890 1 1 426 . 10 1 1 A 45 45 ARG N N 258 124.319 125.042 -0.723 1 1 427 . 10 1 1 A 46 46 ASP H H 259 8.584 7.731 0.853 1 1 428 . 10 1 1 A 46 46 ASP HA H 259 5.096 4.469 0.627 1 1 431 . 10 1 1 A 46 46 ASP C C 259 177.819 176.142 1.677 1 1 432 . 10 1 1 A 46 46 ASP CA C 259 55.248 56.906 -1.658 1 1 433 . 10 1 1 A 46 46 ASP CB C 259 39.614 41.110 -1.496 1 1 434 . 10 1 1 A 46 46 ASP N N 259 120.371 120.234 0.137 1 1 435 . 10 1 1 A 47 47 ARG H H 260 8.632 8.114 0.518 1 1 442 . 10 1 1 A 47 47 ARG CA C 260 56.228 57.015 -0.787 1 1 443 . 10 1 1 A 47 47 ARG CB C 260 26.981 27.985 -1.004 1 1 445 . 10 1 1 A 47 47 ARG N N 260 123.120 116.815 6.305 1 1 447 . 10 1 1 A 51 51 HIS HA H 264 4.293 4.268 0.025 1 1 451 . 10 1 1 A 51 51 HIS C C 264 178.002 176.822 1.180 1 1 452 . 10 1 1 A 51 51 HIS CA C 264 60.062 58.623 1.439 1 1 453 . 10 1 1 A 51 51 HIS CB C 264 29.109 29.317 -0.208 1 1 455 . 10 1 1 A 52 52 LEU H H 265 7.474 7.931 -0.457 1 1 456 . 10 1 1 A 52 52 LEU HA H 265 4.125 3.562 0.563 1 1 466 . 10 1 1 A 52 52 LEU C C 265 180.623 178.514 2.109 1 1 467 . 10 1 1 A 52 52 LEU CA C 265 56.921 57.754 -0.833 1 1 468 . 10 1 1 A 52 52 LEU CB C 265 40.572 41.499 -0.927 1 1 472 . 10 1 1 A 52 52 LEU N N 265 122.692 122.295 0.397 1 1 473 . 10 1 1 A 53 53 ASP H H 266 6.993 8.082 -1.089 1 1 474 . 10 1 1 A 53 53 ASP C C 266 176.536 178.049 -1.513 1 1 475 . 10 1 1 A 53 53 ASP CA C 266 56.718 57.893 -1.175 1 1 476 . 10 1 1 A 53 53 ASP CB C 266 39.787 42.011 -2.224 1 1 477 . 10 1 1 A 53 53 ASP N N 266 122.192 120.031 2.161 1 1 478 . 10 1 1 A 54 54 ALA H H 267 8.217 8.196 0.021 1 1 479 . 10 1 1 A 54 54 ALA HA H 267 3.840 4.025 -0.185 1 1 483 . 10 1 1 A 54 54 ALA C C 267 180.507 179.878 0.629 1 1 484 . 10 1 1 A 54 54 ALA CA C 267 55.836 54.903 0.933 1 1 485 . 10 1 1 A 54 54 ALA CB C 267 17.386 18.368 -0.982 1 1 486 . 10 1 1 A 54 54 ALA N N 267 121.612 121.318 0.294 1 1 487 . 10 1 1 A 55 55 GLY H H 268 8.481 8.101 0.380 1 1 488 . 10 1 1 A 55 55 GLY C C 268 174.929 175.648 -0.719 1 1 489 . 10 1 1 A 55 55 GLY CA C 268 46.546 47.212 -0.666 1 1 490 . 10 1 1 A 55 55 GLY N N 268 107.453 105.800 1.653 1 1 491 . 10 1 1 A 56 56 ALA H H 269 7.759 7.856 -0.097 1 1 492 . 10 1 1 A 56 56 ALA HA H 269 4.190 4.122 0.068 1 1 496 . 10 1 1 A 56 56 ALA C C 269 180.493 179.042 1.451 1 1 497 . 10 1 1 A 56 56 ALA CA C 269 55.311 53.764 1.547 1 1 498 . 10 1 1 A 56 56 ALA CB C 269 17.951 18.328 -0.377 1 1 499 . 10 1 1 A 56 56 ALA N N 269 125.518 125.068 0.450 1 1 500 . 10 1 1 A 57 57 LEU H H 270 8.224 7.268 0.956 1 1 501 . 10 1 1 A 57 57 LEU HA H 270 3.840 4.127 -0.287 1 1 506 . 10 1 1 A 57 57 LEU C C 270 177.499 179.163 -1.664 1 1 507 . 10 1 1 A 57 57 LEU CA C 270 58.315 57.297 1.018 1 1 508 . 10 1 1 A 57 57 LEU CB C 270 43.182 42.421 0.761 1 1 511 . 10 1 1 A 57 57 LEU N N 270 121.610 117.595 4.015 1 1 512 . 10 1 1 A 58 58 THR H H 271 7.976 8.432 -0.456 1 1 513 . 10 1 1 A 58 58 THR HA H 271 4.432 3.879 0.553 1 1 518 . 10 1 1 A 58 58 THR C C 271 174.457 176.397 -1.940 1 1 519 . 10 1 1 A 58 58 THR CA C 271 68.788 66.068 2.720 1 1 520 . 10 1 1 A 58 58 THR CB C 271 67.557 68.269 -0.712 1 1 522 . 10 1 1 A 58 58 THR N N 271 115.528 114.320 1.208 1 1 523 . 10 1 1 A 59 59 THR H H 272 8.085 8.168 -0.083 1 1 524 . 10 1 1 A 59 59 THR HA H 272 3.911 3.939 -0.028 1 1 529 . 10 1 1 A 59 59 THR C C 272 176.131 176.899 -0.768 1 1 530 . 10 1 1 A 59 59 THR CA C 272 65.908 65.872 0.036 1 1 531 . 10 1 1 A 59 59 THR CB C 272 69.045 68.883 0.162 1 1 533 . 10 1 1 A 59 59 THR N N 272 114.864 115.691 -0.827 1 1 534 . 10 1 1 A 60 60 THR H H 273 7.875 8.137 -0.262 1 1 535 . 10 1 1 A 60 60 THR HA H 273 3.423 4.132 -0.709 1 1 540 . 10 1 1 A 60 60 THR C C 273 175.166 176.087 -0.921 1 1 541 . 10 1 1 A 60 60 THR CA C 273 67.291 66.738 0.553 1 1 542 . 10 1 1 A 60 60 THR CB C 273 68.824 68.639 0.185 1 1 544 . 10 1 1 A 60 60 THR N N 273 116.718 116.747 -0.029 1 1 545 . 10 1 1 A 61 61 PHE H H 274 8.219 7.914 0.305 1 1 546 . 10 1 1 A 61 61 PHE HA H 274 4.213 4.573 -0.360 1 1 552 . 10 1 1 A 61 61 PHE C C 274 178.034 176.271 1.763 1 1 553 . 10 1 1 A 61 61 PHE CA C 274 63.308 58.769 4.539 1 1 554 . 10 1 1 A 61 61 PHE CB C 274 37.080 38.317 -1.237 1 1 558 . 10 1 1 A 61 61 PHE N N 274 114.721 117.189 -2.468 1 1 559 . 10 1 1 A 62 62 GLU H H 275 8.810 7.977 0.833 1 1 560 . 10 1 1 A 62 62 GLU HA H 275 4.416 4.168 0.248 1 1 565 . 10 1 1 A 62 62 GLU C C 275 181.232 177.574 3.658 1 1 566 . 10 1 1 A 62 62 GLU CA C 275 60.190 56.661 3.529 1 1 567 . 10 1 1 A 62 62 GLU CB C 275 28.990 31.001 -2.011 1 1 569 . 10 1 1 A 62 62 GLU N N 275 123.787 118.294 5.493 1 1 570 . 10 1 1 A 63 63 GLU H H 276 7.698 7.890 -0.192 1 1 571 . 10 1 1 A 63 63 GLU HA H 276 3.871 4.033 -0.162 1 1 575 . 10 1 1 A 63 63 GLU C C 276 176.721 176.674 0.047 1 1 576 . 10 1 1 A 63 63 GLU CA C 276 58.821 57.358 1.463 1 1 577 . 10 1 1 A 63 63 GLU CB C 276 29.251 29.114 0.137 1 1 579 . 10 1 1 A 63 63 GLU N N 276 120.707 117.475 3.232 1 1 580 . 10 1 1 A 64 64 LEU H H 277 6.708 7.445 -0.737 1 1 581 . 10 1 1 A 64 64 LEU HA H 277 4.148 4.269 -0.121 1 1 589 . 10 1 1 A 64 64 LEU C C 277 174.571 176.052 -1.481 1 1 590 . 10 1 1 A 64 64 LEU CA C 277 54.060 54.406 -0.346 1 1 594 . 10 1 1 A 64 64 LEU N N 277 115.451 118.535 -3.084 1 1 595 . 10 1 1 A 65 65 HIS H H 278 7.388 7.821 -0.433 1 1 596 . 10 1 1 A 65 65 HIS HA H 278 4.259 4.197 0.062 1 1 599 . 10 1 1 A 65 65 HIS C C 278 174.571 174.025 0.546 1 1 600 . 10 1 1 A 65 65 HIS CA C 278 57.737 57.048 0.689 1 1 601 . 10 1 1 A 65 65 HIS CB C 278 26.020 26.728 -0.708 1 1 602 . 10 1 1 A 65 65 HIS N N 278 107.287 115.415 -8.128 1 1 603 . 10 1 1 A 66 66 PHE H H 279 8.554 7.488 1.066 1 1 604 . 10 1 1 A 66 66 PHE HA H 279 4.462 5.056 -0.594 1 1 610 . 10 1 1 A 66 66 PHE C C 279 174.258 173.186 1.072 1 1 611 . 10 1 1 A 66 66 PHE CA C 279 58.032 55.914 2.118 1 1 612 . 10 1 1 A 66 66 PHE CB C 279 39.809 41.279 -1.470 1 1 616 . 10 1 1 A 66 66 PHE N N 279 117.992 113.709 4.283 1 1 617 . 10 1 1 A 67 67 GLU H H 280 8.403 9.252 -0.849 1 1 618 . 10 1 1 A 67 67 GLU HA H 280 4.631 4.561 0.070 1 1 621 . 10 1 1 A 67 67 GLU C C 280 174.640 175.711 -1.071 1 1 622 . 10 1 1 A 67 67 GLU CA C 280 55.467 56.922 -1.455 1 1 623 . 10 1 1 A 67 67 GLU CB C 280 30.671 31.198 -0.527 1 1 625 . 10 1 1 A 67 67 GLU N N 280 120.980 120.515 0.465 1 1 626 . 10 1 1 A 68 68 ILE H H 281 8.988 8.536 0.452 1 1 627 . 10 1 1 A 68 68 ILE HA H 281 4.491 4.983 -0.492 1 1 636 . 10 1 1 A 68 68 ILE C C 281 176.177 174.739 1.438 1 1 637 . 10 1 1 A 68 68 ILE CA C 281 59.688 59.501 0.187 1 1 638 . 10 1 1 A 68 68 ILE CB C 281 35.090 41.426 -6.336 1 1 642 . 10 1 1 A 68 68 ILE N N 281 127.994 122.027 5.967 1 1 643 . 10 1 1 A 69 69 LYS H H 282 8.559 9.100 -0.541 1 1 644 . 10 1 1 A 69 69 LYS HA H 282 4.981 4.975 0.006 1 1 645 . 10 1 1 A 69 69 LYS CA C 282 50.465 52.806 -2.341 1 1 646 . 10 1 1 A 69 69 LYS CB C 282 32.762 33.767 -1.005 1 1 649 . 10 1 1 A 69 69 LYS N N 282 126.350 128.165 -1.815 1 1 650 . 10 1 1 A 70 70 PRO HA H 283 5.133 4.997 0.136 1 1 651 . 10 1 1 A 70 70 PRO C C 283 176.378 175.894 0.484 1 1 652 . 10 1 1 A 70 70 PRO CA C 283 62.027 62.403 -0.376 1 1 653 . 10 1 1 A 70 70 PRO CB C 283 32.856 32.883 -0.027 1 1 655 . 10 1 1 A 71 71 HIS H H 284 8.967 8.572 0.395 1 1 656 . 10 1 1 A 71 71 HIS HA H 284 4.465 5.117 -0.652 1 1 660 . 10 1 1 A 71 71 HIS C C 284 172.714 173.679 -0.965 1 1 661 . 10 1 1 A 71 71 HIS CA C 284 55.994 54.364 1.630 1 1 662 . 10 1 1 A 71 71 HIS CB C 284 33.678 29.834 3.844 1 1 664 . 10 1 1 A 71 71 HIS N N 284 121.708 120.966 0.742 1 1 665 . 10 1 1 A 72 72 ASP H H 285 8.625 8.333 0.292 1 1 666 . 10 1 1 A 72 72 ASP HA H 285 5.695 4.406 1.289 1 1 669 . 10 1 1 A 72 72 ASP C C 285 175.881 176.701 -0.820 1 1 670 . 10 1 1 A 72 72 ASP CA C 285 53.201 54.749 -1.548 1 1 671 . 10 1 1 A 72 72 ASP CB C 285 43.758 41.781 1.977 1 1 672 . 10 1 1 A 72 72 ASP N N 285 122.941 123.757 -0.816 1 1 673 . 10 1 1 A 73 73 ASP H H 286 9.212 9.191 0.021 1 1 674 . 10 1 1 A 73 73 ASP HA H 286 4.263 4.307 -0.044 1 1 676 . 10 1 1 A 73 73 ASP C C 286 174.368 174.887 -0.519 1 1 677 . 10 1 1 A 73 73 ASP CA C 286 56.488 54.972 1.516 1 1 678 . 10 1 1 A 73 73 ASP CB C 286 39.083 39.628 -0.545 1 1 679 . 10 1 1 A 73 73 ASP N N 286 119.175 124.258 -5.083 1 1 680 . 10 1 1 A 74 74 CYS H H 287 8.750 7.480 1.270 1 1 681 . 10 1 1 A 74 74 CYS HA H 287 4.854 4.952 -0.098 1 1 684 . 10 1 1 A 74 74 CYS C C 287 176.146 173.791 2.355 1 1 685 . 10 1 1 A 74 74 CYS CA C 287 58.552 58.119 0.433 1 1 686 . 10 1 1 A 74 74 CYS CB C 287 53.204 28.799 24.405 1 1 687 . 10 1 1 A 74 74 CYS N N 287 119.631 117.293 2.338 1 1 688 . 10 1 1 A 75 75 THR H H 288 8.535 8.787 -0.252 1 1 689 . 10 1 1 A 75 75 THR HA H 288 4.163 4.311 -0.148 1 1 694 . 10 1 1 A 75 75 THR C C 288 174.663 176.115 -1.452 1 1 695 . 10 1 1 A 75 75 THR CA C 288 61.353 62.060 -0.707 1 1 696 . 10 1 1 A 75 75 THR CB C 288 70.100 69.428 0.672 1 1 698 . 10 1 1 A 75 75 THR N N 288 115.998 121.113 -5.115 1 1 699 . 10 1 1 A 76 76 VAL H H 289 8.083 8.719 -0.636 1 1 700 . 10 1 1 A 76 76 VAL HA H 289 3.414 3.463 -0.049 1 1 708 . 10 1 1 A 76 76 VAL C C 289 176.443 177.266 -0.823 1 1 709 . 10 1 1 A 76 76 VAL CA C 289 69.066 66.438 2.628 1 1 710 . 10 1 1 A 76 76 VAL CB C 289 30.361 31.324 -0.963 1 1 713 . 10 1 1 A 76 76 VAL N N 289 120.599 124.217 -3.618 1 1 714 . 10 1 1 A 77 77 GLU H H 290 9.095 8.319 0.776 1 1 715 . 10 1 1 A 77 77 GLU HA H 290 4.027 3.619 0.408 1 1 720 . 10 1 1 A 77 77 GLU C C 290 179.172 177.677 1.495 1 1 721 . 10 1 1 A 77 77 GLU CA C 290 59.831 58.880 0.951 1 1 722 . 10 1 1 A 77 77 GLU CB C 290 29.493 29.438 0.055 1 1 724 . 10 1 1 A 77 77 GLU N N 290 119.191 119.563 -0.372 1 1 725 . 10 1 1 A 78 78 GLN H H 291 7.523 7.954 -0.431 1 1 726 . 10 1 1 A 78 78 GLN HA H 291 4.079 4.297 -0.218 1 1 731 . 10 1 1 A 78 78 GLN C C 291 177.815 177.903 -0.088 1 1 732 . 10 1 1 A 78 78 GLN CA C 291 58.920 56.967 1.953 1 1 734 . 10 1 1 A 78 78 GLN N N 291 117.101 117.083 0.018 1 1 735 . 10 1 1 A 79 79 ILE H H 292 8.368 7.820 0.548 1 1 736 . 10 1 1 A 79 79 ILE HA H 292 3.427 3.608 -0.181 1 1 746 . 10 1 1 A 79 79 ILE C C 292 177.133 178.053 -0.920 1 1 747 . 10 1 1 A 79 79 ILE CA C 292 67.132 64.668 2.464 1 1 748 . 10 1 1 A 79 79 ILE CB C 292 37.163 37.130 0.033 1 1 752 . 10 1 1 A 79 79 ILE N N 292 120.006 120.614 -0.608 1 1 753 . 10 1 1 A 80 80 TYR H H 293 8.302 7.170 1.132 1 1 754 . 10 1 1 A 80 80 TYR HA H 293 4.179 4.373 -0.194 1 1 759 . 10 1 1 A 80 80 TYR C C 293 178.907 178.280 0.627 1 1 760 . 10 1 1 A 80 80 TYR CA C 293 61.737 60.568 1.169 1 1 761 . 10 1 1 A 80 80 TYR CB C 293 37.201 37.720 -0.519 1 1 764 . 10 1 1 A 80 80 TYR N N 293 116.291 120.462 -4.171 1 1 765 . 10 1 1 A 81 81 GLU H H 294 8.170 8.306 -0.136 1 1 766 . 10 1 1 A 81 81 GLU HA H 294 4.036 4.144 -0.108 1 1 771 . 10 1 1 A 81 81 GLU C C 294 178.414 179.668 -1.254 1 1 772 . 10 1 1 A 81 81 GLU CA C 294 59.768 59.081 0.687 1 1 773 . 10 1 1 A 81 81 GLU CB C 294 29.489 29.633 -0.144 1 1 775 . 10 1 1 A 81 81 GLU N N 294 120.325 120.261 0.064 1 1 776 . 10 1 1 A 82 82 ILE H H 295 8.501 8.001 0.500 1 1 777 . 10 1 1 A 82 82 ILE HA H 295 3.675 3.837 -0.162 1 1 787 . 10 1 1 A 82 82 ILE C C 295 177.751 178.976 -1.225 1 1 788 . 10 1 1 A 82 82 ILE CA C 295 65.288 64.737 0.551 1 1 789 . 10 1 1 A 82 82 ILE CB C 295 38.497 37.412 1.085 1 1 793 . 10 1 1 A 82 82 ILE N N 295 120.434 120.858 -0.424 1 1 794 . 10 1 1 A 83 83 LEU H H 296 8.508 7.599 0.909 1 1 795 . 10 1 1 A 83 83 LEU HA H 296 4.289 3.879 0.410 1 1 805 . 10 1 1 A 83 83 LEU C C 296 178.393 179.216 -0.823 1 1 806 . 10 1 1 A 83 83 LEU CA C 296 58.937 57.700 1.237 1 1 807 . 10 1 1 A 83 83 LEU CB C 296 39.626 41.596 -1.970 1 1 811 . 10 1 1 A 83 83 LEU N N 296 116.807 121.949 -5.142 1 1 812 . 10 1 1 A 84 84 LYS H H 297 8.048 7.922 0.126 1 1 813 . 10 1 1 A 84 84 LYS HA H 297 3.967 4.140 -0.173 1 1 820 . 10 1 1 A 84 84 LYS C C 297 177.773 178.841 -1.068 1 1 821 . 10 1 1 A 84 84 LYS CA C 297 58.890 58.985 -0.095 1 1 822 . 10 1 1 A 84 84 LYS CB C 297 31.169 32.547 -1.378 1 1 826 . 10 1 1 A 84 84 LYS N N 297 118.687 118.571 0.116 1 1 827 . 10 1 1 A 85 85 ILE H H 298 7.694 8.252 -0.558 1 1 828 . 10 1 1 A 85 85 ILE HA H 298 3.456 3.742 -0.286 1 1 838 . 10 1 1 A 85 85 ILE C C 298 179.100 177.939 1.161 1 1 839 . 10 1 1 A 85 85 ILE CA C 298 65.307 65.559 -0.252 1 1 840 . 10 1 1 A 85 85 ILE CB C 298 36.965 37.860 -0.895 1 1 844 . 10 1 1 A 85 85 ILE N N 298 118.157 121.291 -3.134 1 1 845 . 10 1 1 A 86 86 TYR H H 299 7.613 8.405 -0.792 1 1 846 . 10 1 1 A 86 86 TYR HA H 299 4.103 4.559 -0.456 1 1 851 . 10 1 1 A 86 86 TYR C C 299 177.425 178.226 -0.801 1 1 852 . 10 1 1 A 86 86 TYR CA C 299 63.129 60.787 2.342 1 1 853 . 10 1 1 A 86 86 TYR CB C 299 38.745 37.931 0.814 1 1 856 . 10 1 1 A 86 86 TYR N N 299 115.499 120.089 -4.590 1 1 857 . 10 1 1 A 87 87 GLN H H 300 9.112 8.033 1.079 1 1 858 . 10 1 1 A 87 87 GLN HA H 300 3.977 4.012 -0.035 1 1 861 . 10 1 1 A 87 87 GLN C C 300 176.380 178.640 -2.260 1 1 862 . 10 1 1 A 87 87 GLN CA C 300 58.976 58.944 0.032 1 1 863 . 10 1 1 A 87 87 GLN CB C 300 28.819 28.568 0.251 1 1 865 . 10 1 1 A 87 87 GLN N N 300 125.039 119.060 5.979 1 1 866 . 10 1 1 A 88 88 LEU H H 301 7.536 8.055 -0.519 1 1 867 . 10 1 1 A 88 88 LEU HA H 301 4.309 4.140 0.169 1 1 877 . 10 1 1 A 88 88 LEU C C 301 177.129 179.498 -2.369 1 1 878 . 10 1 1 A 88 88 LEU CA C 301 55.142 57.192 -2.050 1 1 879 . 10 1 1 A 88 88 LEU CB C 301 41.809 41.267 0.542 1 1 883 . 10 1 1 A 88 88 LEU N N 301 115.623 119.763 -4.140 1 1 884 . 10 1 1 A 89 89 MET H H 302 7.025 8.296 -1.271 1 1 885 . 10 1 1 A 89 89 MET HA H 302 4.031 4.062 -0.031 1 1 893 . 10 1 1 A 89 89 MET C C 302 172.664 175.989 -3.325 1 1 894 . 10 1 1 A 89 89 MET CA C 302 55.513 58.988 -3.475 1 1 895 . 10 1 1 A 89 89 MET CB C 302 33.748 32.966 0.782 1 1 898 . 10 1 1 A 89 89 MET N N 302 120.789 118.763 2.026 1 1 899 . 10 1 1 A 90 90 ASP H H 303 8.056 7.530 0.526 1 1 900 . 10 1 1 A 90 90 ASP HA H 303 4.746 4.085 0.661 1 1 903 . 10 1 1 A 90 90 ASP C C 303 177.139 175.636 1.503 1 1 904 . 10 1 1 A 90 90 ASP CA C 303 54.411 55.158 -0.747 1 1 905 . 10 1 1 A 90 90 ASP CB C 303 40.987 39.687 1.300 1 1 906 . 10 1 1 A 90 90 ASP N N 303 117.873 118.982 -1.109 1 1 907 . 10 1 1 A 91 91 HIS H H 304 9.371 7.323 2.048 1 1 908 . 10 1 1 A 91 91 HIS HA H 304 4.657 4.543 0.114 1 1 912 . 10 1 1 A 91 91 HIS C C 304 177.332 174.437 2.895 1 1 913 . 10 1 1 A 91 91 HIS CA C 304 56.031 55.756 0.275 1 1 914 . 10 1 1 A 91 91 HIS CB C 304 31.150 30.742 0.408 1 1 916 . 10 1 1 A 91 91 HIS N N 304 126.666 115.694 10.972 1 1 917 . 10 1 1 A 92 92 SER H H 305 8.952 8.870 0.082 1 1 918 . 10 1 1 A 92 92 SER HA H 305 4.055 4.752 -0.697 1 1 921 . 10 1 1 A 92 92 SER CA C 305 63.687 57.285 6.402 1 1 922 . 10 1 1 A 92 92 SER CB C 305 62.694 66.890 -4.196 1 1 923 . 10 1 1 A 92 92 SER N N 305 118.610 115.236 3.374 1 1 924 . 10 1 1 A 93 93 ASN H H 306 8.745 8.492 0.253 1 1 925 . 10 1 1 A 93 93 ASN HA H 306 4.803 4.519 0.284 1 1 928 . 10 1 1 A 93 93 ASN C C 306 173.428 174.800 -1.372 1 1 929 . 10 1 1 A 93 93 ASN CA C 306 53.018 53.856 -0.838 1 1 930 . 10 1 1 A 93 93 ASN CB C 306 38.033 38.698 -0.665 1 1 931 . 10 1 1 A 93 93 ASN N N 306 116.257 121.111 -4.854 1 1 932 . 10 1 1 A 94 94 MET H H 307 7.942 8.687 -0.745 1 1 933 . 10 1 1 A 94 94 MET HA H 307 4.683 4.614 0.069 1 1 939 . 10 1 1 A 94 94 MET C C 307 174.640 176.997 -2.357 1 1 940 . 10 1 1 A 94 94 MET CA C 307 53.564 54.097 -0.533 1 1 941 . 10 1 1 A 94 94 MET CB C 307 33.988 33.450 0.538 1 1 944 . 10 1 1 A 94 94 MET N N 307 117.799 127.013 -9.214 1 1 945 . 10 1 1 A 95 95 ASP H H 308 8.276 8.764 -0.488 1 1 946 . 10 1 1 A 95 95 ASP HA H 308 5.172 4.329 0.843 1 1 949 . 10 1 1 A 95 95 ASP C C 308 176.264 175.458 0.806 1 1 950 . 10 1 1 A 95 95 ASP CA C 308 55.617 56.678 -1.061 1 1 951 . 10 1 1 A 95 95 ASP CB C 308 45.114 40.262 4.852 1 1 952 . 10 1 1 A 95 95 ASP N N 308 119.567 121.000 -1.433 1 1 953 . 10 1 1 A 96 96 CYS H H 309 8.215 7.603 0.612 1 1 954 . 10 1 1 A 96 96 CYS HA H 309 4.680 4.732 -0.052 1 1 957 . 10 1 1 A 96 96 CYS C C 309 170.157 172.816 -2.659 1 1 958 . 10 1 1 A 96 96 CYS CA C 309 57.203 57.578 -0.375 1 1 959 . 10 1 1 A 96 96 CYS CB C 309 52.974 32.411 20.563 1 1 960 . 10 1 1 A 96 96 CYS N N 309 118.264 115.696 2.568 1 1 961 . 10 1 1 A 97 97 PHE H H 310 8.108 8.807 -0.699 1 1 962 . 10 1 1 A 97 97 PHE HA H 310 5.071 5.111 -0.040 1 1 967 . 10 1 1 A 97 97 PHE C C 310 171.279 173.641 -2.362 1 1 968 . 10 1 1 A 97 97 PHE CA C 310 57.910 57.677 0.233 1 1 969 . 10 1 1 A 97 97 PHE CB C 310 44.724 42.870 1.854 1 1 972 . 10 1 1 A 97 97 PHE N N 310 125.767 123.511 2.256 1 1 973 . 10 1 1 A 98 98 ILE H H 311 7.647 8.389 -0.742 1 1 974 . 10 1 1 A 98 98 ILE HA H 311 4.581 4.714 -0.133 1 1 984 . 10 1 1 A 98 98 ILE C C 311 172.012 174.792 -2.780 1 1 985 . 10 1 1 A 98 98 ILE CA C 311 58.312 60.275 -1.963 1 1 986 . 10 1 1 A 98 98 ILE CB C 311 39.964 42.017 -2.053 1 1 990 . 10 1 1 A 98 98 ILE N N 311 125.102 125.796 -0.694 1 1 991 . 10 1 1 A 99 99 CYS H H 312 8.309 9.220 -0.911 1 1 992 . 10 1 1 A 99 99 CYS HA H 312 4.471 5.045 -0.574 1 1 993 . 10 1 1 A 99 99 CYS C C 312 171.965 172.546 -0.581 1 1 994 . 10 1 1 A 99 99 CYS CA C 312 56.347 57.253 -0.906 1 1 995 . 10 1 1 A 99 99 CYS CB C 312 51.093 28.602 22.491 1 1 996 . 10 1 1 A 99 99 CYS N N 312 124.548 124.943 -0.395 1 1 997 . 10 1 1 A 100 100 CYS H H 313 9.116 9.276 -0.160 1 1 998 . 10 1 1 A 100 100 CYS HA H 313 5.880 4.793 1.087 1 1 1001 . 10 1 1 A 100 100 CYS C C 313 173.635 173.363 0.272 1 1 1002 . 10 1 1 A 100 100 CYS CA C 313 55.906 57.693 -1.787 1 1 1003 . 10 1 1 A 100 100 CYS CB C 313 52.685 27.159 25.526 1 1 1004 . 10 1 1 A 100 100 CYS N N 313 127.015 124.641 2.374 1 1 1005 . 10 1 1 A 101 101 ILE H H 314 8.896 8.023 0.873 1 1 1006 . 10 1 1 A 101 101 ILE HA H 314 4.737 4.183 0.554 1 1 1016 . 10 1 1 A 101 101 ILE C C 314 172.277 175.376 -3.099 1 1 1017 . 10 1 1 A 101 101 ILE CA C 314 60.937 61.680 -0.743 1 1 1018 . 10 1 1 A 101 101 ILE CB C 314 40.848 37.454 3.394 1 1 1022 . 10 1 1 A 101 101 ILE N N 314 121.994 126.435 -4.441 1 1 1023 . 10 1 1 A 102 102 LEU H H 315 8.951 8.456 0.495 1 1 1024 . 10 1 1 A 102 102 LEU HA H 315 5.285 4.800 0.485 1 1 1029 . 10 1 1 A 102 102 LEU C C 315 174.789 177.044 -2.255 1 1 1030 . 10 1 1 A 102 102 LEU CA C 315 52.489 53.035 -0.546 1 1 1031 . 10 1 1 A 102 102 LEU CB C 315 40.041 44.747 -4.706 1 1 1034 . 10 1 1 A 102 102 LEU N N 315 127.404 127.668 -0.264 1 1 1035 . 10 1 1 A 103 103 SER H H 316 9.096 8.945 0.151 1 1 1036 . 10 1 1 A 103 103 SER HA H 316 4.680 4.222 0.458 1 1 1039 . 10 1 1 A 103 103 SER C C 316 174.555 173.977 0.578 1 1 1040 . 10 1 1 A 103 103 SER CA C 316 56.403 59.198 -2.795 1 1 1041 . 10 1 1 A 103 103 SER CB C 316 63.224 61.083 2.141 1 1 1042 . 10 1 1 A 103 103 SER N N 316 113.273 117.672 -4.399 1 1 1043 . 10 1 1 A 104 104 HIS H H 317 7.515 8.004 -0.489 1 1 1044 . 10 1 1 A 104 104 HIS HA H 317 5.214 4.718 0.496 1 1 1048 . 10 1 1 A 104 104 HIS C C 317 175.667 174.520 1.147 1 1 1049 . 10 1 1 A 104 104 HIS CA C 317 56.371 54.748 1.623 1 1 1050 . 10 1 1 A 104 104 HIS CB C 317 34.676 31.330 3.346 1 1 1052 . 10 1 1 A 104 104 HIS N N 317 114.740 119.150 -4.410 1 1 1053 . 10 1 1 A 105 105 GLY H H 318 8.368 8.757 -0.389 1 1 1054 . 10 1 1 A 105 105 GLY C C 318 169.470 172.333 -2.863 1 1 1055 . 10 1 1 A 105 105 GLY CA C 318 45.558 45.169 0.389 1 1 1056 . 10 1 1 A 105 105 GLY N N 318 107.330 106.960 0.370 1 1 1057 . 10 1 1 A 106 106 ASP H H 319 7.943 8.571 -0.628 1 1 1058 . 10 1 1 A 106 106 ASP HA H 319 4.622 5.142 -0.520 1 1 1061 . 10 1 1 A 106 106 ASP C C 319 175.179 177.197 -2.018 1 1 1062 . 10 1 1 A 106 106 ASP CA C 319 53.188 52.454 0.734 1 1 1063 . 10 1 1 A 106 106 ASP CB C 319 43.555 43.294 0.261 1 1 1064 . 10 1 1 A 106 106 ASP N N 319 116.893 120.278 -3.385 1 1 1065 . 10 1 1 A 107 107 LYS H H 320 9.376 8.545 0.831 1 1 1066 . 10 1 1 A 107 107 LYS HA H 320 3.956 4.713 -0.757 1 1 1075 . 10 1 1 A 107 107 LYS C C 320 176.864 177.333 -0.469 1 1 1076 . 10 1 1 A 107 107 LYS CA C 320 58.567 56.181 2.386 1 1 1077 . 10 1 1 A 107 107 LYS CB C 320 30.568 32.974 -2.406 1 1 1081 . 10 1 1 A 107 107 LYS N N 320 122.539 121.277 1.262 1 1 1082 . 10 1 1 A 108 108 GLY H H 321 9.025 7.861 1.164 1 1 1083 . 10 1 1 A 108 108 GLY C C 321 173.633 173.709 -0.076 1 1 1084 . 10 1 1 A 108 108 GLY CA C 321 45.491 45.468 0.023 1 1 1085 . 10 1 1 A 108 108 GLY N N 321 111.919 106.734 5.185 1 1 1086 . 10 1 1 A 109 109 ILE H H 322 8.157 7.463 0.694 1 1 1087 . 10 1 1 A 109 109 ILE HA H 322 4.994 4.677 0.317 1 1 1097 . 10 1 1 A 109 109 ILE C C 322 174.524 175.049 -0.525 1 1 1098 . 10 1 1 A 109 109 ILE CA C 322 59.009 58.539 0.470 1 1 1099 . 10 1 1 A 109 109 ILE CB C 322 43.375 41.190 2.185 1 1 1103 . 10 1 1 A 109 109 ILE N N 322 116.465 116.122 0.343 1 1 1104 . 10 1 1 A 110 110 ILE H H 323 8.443 8.697 -0.254 1 1 1105 . 10 1 1 A 110 110 ILE HA H 323 4.530 4.344 0.186 1 1 1115 . 10 1 1 A 110 110 ILE C C 323 174.337 175.878 -1.541 1 1 1116 . 10 1 1 A 110 110 ILE CA C 323 58.547 60.405 -1.858 1 1 1117 . 10 1 1 A 110 110 ILE CB C 323 41.604 38.023 3.581 1 1 1121 . 10 1 1 A 110 110 ILE N N 323 116.661 123.034 -6.373 1 1 1122 . 10 1 1 A 111 111 TYR H H 324 8.584 8.301 0.283 1 1 1123 . 10 1 1 A 111 111 TYR HA H 324 5.557 5.162 0.395 1 1 1128 . 10 1 1 A 111 111 TYR C C 324 178.528 176.124 2.404 1 1 1129 . 10 1 1 A 111 111 TYR CA C 324 56.571 56.434 0.137 1 1 1130 . 10 1 1 A 111 111 TYR CB C 324 39.984 40.758 -0.774 1 1 1133 . 10 1 1 A 111 111 TYR N N 324 119.472 126.185 -6.713 1 1 1134 . 10 1 1 A 112 112 GLY H H 325 8.522 8.674 -0.152 1 1 1135 . 10 1 1 A 112 112 GLY C C 325 174.755 173.745 1.010 1 1 1136 . 10 1 1 A 112 112 GLY CA C 325 43.145 45.865 -2.720 1 1 1137 . 10 1 1 A 112 112 GLY N N 325 107.078 111.311 -4.233 1 1 1138 . 10 1 1 A 113 113 THR H H 326 8.245 7.946 0.299 1 1 1139 . 10 1 1 A 113 113 THR HA H 326 3.186 4.912 -1.726 1 1 1144 . 10 1 1 A 113 113 THR C C 326 173.264 174.323 -1.059 1 1 1145 . 10 1 1 A 113 113 THR CA C 326 64.857 60.757 4.100 1 1 1146 . 10 1 1 A 113 113 THR CB C 326 66.749 72.842 -6.093 1 1 1148 . 10 1 1 A 113 113 THR N N 326 113.146 114.392 -1.246 1 1 1149 . 10 1 1 A 114 114 ASP H H 327 8.801 8.883 -0.082 1 1 1150 . 10 1 1 A 114 114 ASP HA H 327 4.099 4.348 -0.249 1 1 1153 . 10 1 1 A 114 114 ASP C C 327 176.262 178.680 -2.418 1 1 1154 . 10 1 1 A 114 114 ASP CA C 327 52.768 57.215 -4.447 1 1 1155 . 10 1 1 A 114 114 ASP CB C 327 39.312 40.317 -1.005 1 1 1156 . 10 1 1 A 114 114 ASP N N 327 112.026 124.341 -12.315 1 1 1157 . 10 1 1 A 115 115 GLY H H 328 8.462 8.328 0.134 1 1 1158 . 10 1 1 A 115 115 GLY HA2 H 328 4.010 3.889 0.121 1 1 1159 . 10 1 1 A 115 115 GLY HA3 H 328 4.010 3.913 0.097 1 1 1160 . 10 1 1 A 115 115 GLY C C 328 171.918 174.317 -2.399 1 1 1161 . 10 1 1 A 115 115 GLY CA C 328 45.463 47.613 -2.150 1 1 1162 . 10 1 1 A 115 115 GLY N N 328 107.749 106.596 1.153 1 1 1163 . 10 1 1 A 116 116 GLN H H 329 6.657 7.620 -0.963 1 1 1164 . 10 1 1 A 116 116 GLN HA H 329 4.441 4.604 -0.163 1 1 1170 . 10 1 1 A 116 116 GLN C C 329 174.196 175.225 -1.029 1 1 1171 . 10 1 1 A 116 116 GLN CA C 329 55.204 54.916 0.288 1 1 1172 . 10 1 1 A 116 116 GLN CB C 329 28.541 30.296 -1.755 1 1 1174 . 10 1 1 A 116 116 GLN N N 329 115.146 112.264 2.882 1 1 1176 . 10 1 1 A 117 117 GLU H H 330 8.624 8.769 -0.145 1 1 1177 . 10 1 1 A 117 117 GLU HA H 330 4.733 4.672 0.061 1 1 1178 . 10 1 1 A 117 117 GLU C C 330 175.357 175.599 -0.242 1 1 1179 . 10 1 1 A 117 117 GLU CA C 330 55.191 56.217 -1.026 1 1 1180 . 10 1 1 A 117 117 GLU CB C 330 32.586 31.507 1.079 1 1 1182 . 10 1 1 A 117 117 GLU N N 330 119.031 120.751 -1.720 1 1 1183 . 10 1 1 A 118 118 ALA H H 331 8.995 7.665 1.330 1 1 1184 . 10 1 1 A 118 118 ALA HA H 331 5.165 4.673 0.492 1 1 1188 . 10 1 1 A 118 118 ALA C C 331 173.650 174.184 -0.534 1 1 1189 . 10 1 1 A 118 118 ALA CA C 331 48.343 50.316 -1.973 1 1 1190 . 10 1 1 A 118 118 ALA CB C 331 20.353 21.717 -1.364 1 1 1191 . 10 1 1 A 118 118 ALA N N 331 123.550 120.785 2.765 1 1 1192 . 10 1 1 A 119 119 PRO HA H 332 4.819 4.849 -0.030 1 1 1193 . 10 1 1 A 119 119 PRO C C 332 177.819 178.114 -0.295 1 1 1194 . 10 1 1 A 119 119 PRO CA C 332 62.007 62.943 -0.936 1 1 1195 . 10 1 1 A 119 119 PRO CB C 332 32.081 32.068 0.013 1 1 1197 . 10 1 1 A 120 120 ILE H H 333 8.574 9.148 -0.574 1 1 1198 . 10 1 1 A 120 120 ILE HA H 333 3.278 4.008 -0.730 1 1 1206 . 10 1 1 A 120 120 ILE C C 333 177.316 177.555 -0.239 1 1 1207 . 10 1 1 A 120 120 ILE CA C 333 66.025 63.863 2.162 1 1 1208 . 10 1 1 A 120 120 ILE CB C 333 37.991 37.697 0.294 1 1 1212 . 10 1 1 A 120 120 ILE N N 333 126.740 125.573 1.167 1 1 1213 . 10 1 1 A 121 121 TYR H H 334 9.192 8.161 1.031 1 1 1214 . 10 1 1 A 121 121 TYR HA H 334 3.942 4.368 -0.426 1 1 1219 . 10 1 1 A 121 121 TYR C C 334 177.847 177.911 -0.064 1 1 1220 . 10 1 1 A 121 121 TYR CA C 334 60.688 61.983 -1.295 1 1 1221 . 10 1 1 A 121 121 TYR CB C 334 38.803 37.341 1.462 1 1 1224 . 10 1 1 A 121 121 TYR N N 334 117.479 121.139 -3.660 1 1 1225 . 10 1 1 A 122 122 GLU H H 335 7.178 7.833 -0.655 1 1 1226 . 10 1 1 A 122 122 GLU HA H 335 3.751 4.180 -0.429 1 1 1228 . 10 1 1 A 122 122 GLU C C 335 176.427 179.148 -2.721 1 1 1229 . 10 1 1 A 122 122 GLU CA C 335 58.378 58.704 -0.326 1 1 1230 . 10 1 1 A 122 122 GLU CB C 335 29.477 29.648 -0.171 1 1 1232 . 10 1 1 A 122 122 GLU N N 335 115.885 121.953 -6.068 1 1 1233 . 10 1 1 A 123 123 LEU H H 336 7.440 7.662 -0.222 1 1 1234 . 10 1 1 A 123 123 LEU HA H 336 4.123 4.078 0.045 1 1 1244 . 10 1 1 A 123 123 LEU C C 336 177.925 178.081 -0.156 1 1 1245 . 10 1 1 A 123 123 LEU CA C 336 56.646 57.923 -1.277 1 1 1246 . 10 1 1 A 123 123 LEU CB C 336 40.661 42.149 -1.488 1 1 1250 . 10 1 1 A 123 123 LEU N N 336 115.934 119.865 -3.931 1 1 1251 . 10 1 1 A 124 124 THR H H 337 8.009 8.224 -0.215 1 1 1252 . 10 1 1 A 124 124 THR HA H 337 3.597 4.293 -0.696 1 1 1257 . 10 1 1 A 124 124 THR C C 337 177.568 174.973 2.595 1 1 1258 . 10 1 1 A 124 124 THR CA C 337 64.110 62.521 1.589 1 1 1259 . 10 1 1 A 124 124 THR CB C 337 67.603 68.897 -1.294 1 1 1261 . 10 1 1 A 124 124 THR N N 337 107.827 108.941 -1.114 1 1 1262 . 10 1 1 A 125 125 SER H H 338 7.435 8.237 -0.802 1 1 1263 . 10 1 1 A 125 125 SER HA H 338 3.723 4.890 -1.167 1 1 1266 . 10 1 1 A 125 125 SER C C 338 174.040 174.919 -0.879 1 1 1267 . 10 1 1 A 125 125 SER CA C 338 60.514 57.528 2.986 1 1 1268 . 10 1 1 A 125 125 SER CB C 338 62.391 64.289 -1.898 1 1 1269 . 10 1 1 A 125 125 SER N N 338 112.670 117.413 -4.743 1 1 1270 . 10 1 1 A 126 126 GLN H H 339 7.071 8.143 -1.072 1 1 1271 . 10 1 1 A 126 126 GLN HA H 339 3.850 4.264 -0.414 1 1 1276 . 10 1 1 A 126 126 GLN C C 339 173.915 176.940 -3.025 1 1 1277 . 10 1 1 A 126 126 GLN CA C 339 56.106 56.309 -0.203 1 1 1278 . 10 1 1 A 126 126 GLN CB C 339 27.028 28.263 -1.235 1 1 1280 . 10 1 1 A 126 126 GLN N N 339 117.347 118.242 -0.895 1 1 1281 . 10 1 1 A 127 127 PHE H H 340 7.355 8.093 -0.738 1 1 1282 . 10 1 1 A 127 127 PHE HA H 340 4.515 4.580 -0.065 1 1 1285 . 10 1 1 A 127 127 PHE C C 340 175.241 175.989 -0.748 1 1 1286 . 10 1 1 A 127 127 PHE CA C 340 57.914 57.593 0.321 1 1 1287 . 10 1 1 A 127 127 PHE CB C 340 38.496 39.112 -0.616 1 1 1288 . 10 1 1 A 127 127 PHE N N 340 110.412 115.279 -4.867 1 1 1289 . 10 1 1 A 128 128 THR H H 341 6.785 7.271 -0.486 1 1 1290 . 10 1 1 A 128 128 THR HA H 341 4.294 3.683 0.611 1 1 1295 . 10 1 1 A 128 128 THR C C 341 174.727 176.177 -1.450 1 1 1296 . 10 1 1 A 128 128 THR CA C 341 62.016 63.640 -1.624 1 1 1297 . 10 1 1 A 128 128 THR CB C 341 69.757 69.343 0.414 1 1 1299 . 10 1 1 A 128 128 THR N N 341 107.455 115.396 -7.941 1 1 1300 . 10 1 1 A 129 129 GLY H H 342 10.506 8.660 1.846 1 1 1301 . 10 1 1 A 129 129 GLY HA2 H 342 3.841 3.806 0.035 1 1 1302 . 10 1 1 A 129 129 GLY HA3 H 342 3.648 3.814 -0.166 1 1 1303 . 10 1 1 A 129 129 GLY C C 342 175.631 174.686 0.945 1 1 1304 . 10 1 1 A 129 129 GLY CA C 342 47.056 46.627 0.429 1 1 1305 . 10 1 1 A 129 129 GLY N N 342 111.023 113.887 -2.864 1 1 1306 . 10 1 1 A 130 130 LEU H H 343 8.003 7.806 0.197 1 1 1307 . 10 1 1 A 130 130 LEU HA H 343 4.135 4.342 -0.207 1 1 1317 . 10 1 1 A 130 130 LEU C C 343 178.627 177.152 1.475 1 1 1318 . 10 1 1 A 130 130 LEU CA C 343 56.606 54.963 1.643 1 1 1319 . 10 1 1 A 130 130 LEU CB C 343 42.399 42.152 0.247 1 1 1323 . 10 1 1 A 130 130 LEU N N 343 116.983 120.156 -3.173 1 1 1324 . 10 1 1 A 131 131 LYS H H 344 6.961 7.973 -1.012 1 1 1325 . 10 1 1 A 131 131 LYS HA H 344 4.001 4.428 -0.427 1 1 1333 . 10 1 1 A 131 131 LYS C C 344 176.224 177.006 -0.782 1 1 1334 . 10 1 1 A 131 131 LYS CA C 344 57.534 56.649 0.885 1 1 1335 . 10 1 1 A 131 131 LYS CB C 344 33.404 35.387 -1.983 1 1 1339 . 10 1 1 A 131 131 LYS N N 344 116.907 115.986 0.921 1 1 1340 . 10 1 1 A 132 132 CYS H H 345 8.564 8.196 0.368 1 1 1341 . 10 1 1 A 132 132 CYS HA H 345 4.930 4.772 0.158 1 1 1344 . 10 1 1 A 132 132 CYS C C 345 172.261 172.573 -0.312 1 1 1345 . 10 1 1 A 132 132 CYS CA C 345 56.566 57.124 -0.558 1 1 1346 . 10 1 1 A 132 132 CYS CB C 345 49.011 27.911 21.100 1 1 1347 . 10 1 1 A 132 132 CYS N N 345 117.718 115.800 1.918 1 1 1348 . 10 1 1 A 133 133 PRO HA H 346 4.719 4.713 0.006 1 1 1354 . 10 1 1 A 133 133 PRO C C 346 179.500 176.092 3.408 1 1 1355 . 10 1 1 A 133 133 PRO CA C 346 62.681 62.221 0.460 1 1 1356 . 10 1 1 A 133 133 PRO CB C 346 34.366 29.233 5.133 1 1 1359 . 10 1 1 A 134 134 SER H H 347 8.896 8.886 0.010 1 1 1360 . 10 1 1 A 134 134 SER HA H 347 4.415 4.650 -0.235 1 1 1363 . 10 1 1 A 134 134 SER C C 347 174.434 175.429 -0.995 1 1 1364 . 10 1 1 A 134 134 SER CA C 347 60.509 60.947 -0.438 1 1 1365 . 10 1 1 A 134 134 SER CB C 347 62.207 64.779 -2.572 1 1 1366 . 10 1 1 A 134 134 SER N N 347 112.882 117.767 -4.885 1 1 1367 . 10 1 1 A 135 135 LEU H H 348 7.549 7.882 -0.333 1 1 1368 . 10 1 1 A 135 135 LEU HA H 348 4.466 4.627 -0.161 1 1 1378 . 10 1 1 A 135 135 LEU C C 348 176.458 176.903 -0.445 1 1 1379 . 10 1 1 A 135 135 LEU CA C 348 53.787 54.508 -0.721 1 1 1380 . 10 1 1 A 135 135 LEU CB C 348 44.189 42.957 1.232 1 1 1384 . 10 1 1 A 135 135 LEU N N 348 118.501 117.041 1.460 1 1 1385 . 10 1 1 A 136 136 ALA H H 349 7.776 8.108 -0.332 1 1 1386 . 10 1 1 A 136 136 ALA HA H 349 4.056 4.312 -0.256 1 1 1390 . 10 1 1 A 136 136 ALA C C 349 178.620 180.116 -1.496 1 1 1391 . 10 1 1 A 136 136 ALA CA C 349 54.406 55.377 -0.971 1 1 1392 . 10 1 1 A 136 136 ALA CB C 349 17.934 18.452 -0.518 1 1 1393 . 10 1 1 A 136 136 ALA N N 349 125.801 123.755 2.046 1 1 1394 . 10 1 1 A 137 137 GLY H H 350 9.371 8.261 1.110 1 1 1395 . 10 1 1 A 137 137 GLY C C 350 173.026 173.794 -0.768 1 1 1396 . 10 1 1 A 137 137 GLY CA C 350 45.132 46.221 -1.089 1 1 1397 . 10 1 1 A 137 137 GLY N N 350 111.181 106.131 5.050 1 1 1398 . 10 1 1 A 138 138 LYS H H 351 8.038 7.692 0.346 1 1 1399 . 10 1 1 A 138 138 LYS HA H 351 4.660 4.691 -0.031 1 1 1400 . 10 1 1 A 138 138 LYS C C 351 172.078 174.749 -2.671 1 1 1401 . 10 1 1 A 138 138 LYS CA C 351 52.728 53.215 -0.487 1 1 1402 . 10 1 1 A 138 138 LYS CB C 351 32.069 34.728 -2.659 1 1 1404 . 10 1 1 A 138 138 LYS N N 351 119.821 121.046 -1.225 1 1 1405 . 10 1 1 A 139 139 PRO HA H 352 4.300 4.822 -0.522 1 1 1412 . 10 1 1 A 139 139 PRO C C 352 173.954 176.149 -2.195 1 1 1413 . 10 1 1 A 139 139 PRO CA C 352 62.595 62.552 0.043 1 1 1414 . 10 1 1 A 139 139 PRO CB C 352 31.399 33.188 -1.789 1 1 1417 . 10 1 1 A 140 140 LYS H H 353 8.188 8.644 -0.456 1 1 1418 . 10 1 1 A 140 140 LYS HA H 353 4.610 5.476 -0.866 1 1 1419 . 10 1 1 A 140 140 LYS C C 353 173.494 174.259 -0.765 1 1 1420 . 10 1 1 A 140 140 LYS CA C 353 55.344 54.809 0.535 1 1 1421 . 10 1 1 A 140 140 LYS CB C 353 32.527 36.581 -4.054 1 1 1423 . 10 1 1 A 140 140 LYS N N 353 123.304 116.971 6.333 1 1 1424 . 10 1 1 A 141 141 VAL H H 354 8.344 8.317 0.027 1 1 1425 . 10 1 1 A 141 141 VAL HA H 354 4.533 4.599 -0.066 1 1 1433 . 10 1 1 A 141 141 VAL C C 354 172.277 174.222 -1.945 1 1 1434 . 10 1 1 A 141 141 VAL CA C 354 60.596 61.085 -0.489 1 1 1435 . 10 1 1 A 141 141 VAL CB C 354 33.580 33.111 0.469 1 1 1438 . 10 1 1 A 141 141 VAL N N 354 122.550 122.360 0.190 1 1 1439 . 10 1 1 A 142 142 PHE H H 355 8.985 8.683 0.302 1 1 1440 . 10 1 1 A 142 142 PHE HA H 355 5.436 5.304 0.132 1 1 1441 . 10 1 1 A 142 142 PHE C C 355 173.666 173.654 0.012 1 1 1442 . 10 1 1 A 142 142 PHE CA C 355 54.968 55.337 -0.369 1 1 1443 . 10 1 1 A 142 142 PHE CB C 355 42.877 40.044 2.833 1 1 1444 . 10 1 1 A 142 142 PHE N N 355 123.850 127.930 -4.080 1 1 1445 . 10 1 1 A 143 143 PHE H H 356 8.584 8.293 0.291 1 1 1446 . 10 1 1 A 143 143 PHE HA H 356 5.934 4.878 1.056 1 1 1449 . 10 1 1 A 143 143 PHE C C 356 174.526 175.669 -1.143 1 1 1450 . 10 1 1 A 143 143 PHE CA C 356 55.909 57.767 -1.858 1 1 1451 . 10 1 1 A 143 143 PHE CB C 356 39.923 39.892 0.031 1 1 1454 . 10 1 1 A 143 143 PHE N N 356 119.801 126.086 -6.285 1 1 1455 . 10 1 1 A 144 144 ILE H H 357 9.020 9.227 -0.207 1 1 1456 . 10 1 1 A 144 144 ILE HA H 357 5.040 4.597 0.443 1 1 1466 . 10 1 1 A 144 144 ILE C C 357 173.323 174.943 -1.620 1 1 1467 . 10 1 1 A 144 144 ILE CA C 357 59.479 60.817 -1.338 1 1 1468 . 10 1 1 A 144 144 ILE CB C 357 40.898 40.113 0.785 1 1 1472 . 10 1 1 A 144 144 ILE N N 357 121.194 123.822 -2.628 1 1 1473 . 10 1 1 A 145 145 GLN H H 358 8.856 8.876 -0.020 1 1 1474 . 10 1 1 A 145 145 GLN HA H 358 4.670 4.615 0.055 1 1 1475 . 10 1 1 A 145 145 GLN C C 358 171.591 174.461 -2.870 1 1 1476 . 10 1 1 A 145 145 GLN CA C 358 53.648 55.492 -1.844 1 1 1477 . 10 1 1 A 145 145 GLN CB C 358 30.373 27.753 2.620 1 1 1479 . 10 1 1 A 145 145 GLN N N 358 128.880 128.723 0.157 1 1 1480 . 10 1 1 A 146 146 ALA H H 359 8.418 7.736 0.682 1 1 1481 . 10 1 1 A 146 146 ALA HA H 359 5.247 4.758 0.489 1 1 1485 . 10 1 1 A 146 146 ALA C C 359 175.319 176.335 -1.016 1 1 1486 . 10 1 1 A 146 146 ALA CA C 359 50.243 51.318 -1.075 1 1 1487 . 10 1 1 A 146 146 ALA CB C 359 18.786 23.353 -4.567 1 1 1488 . 10 1 1 A 146 146 ALA N N 359 128.349 127.705 0.644 1 1 1489 . 10 1 1 A 147 147 ALA H H 360 8.161 8.325 -0.164 1 1 1490 . 10 1 1 A 147 147 ALA HA H 360 4.343 4.574 -0.231 1 1 1494 . 10 1 1 A 147 147 ALA C C 360 177.238 177.738 -0.500 1 1 1495 . 10 1 1 A 147 147 ALA CA C 360 52.078 50.677 1.401 1 1 1496 . 10 1 1 A 147 147 ALA CB C 360 20.003 19.529 0.474 1 1 1497 . 10 1 1 A 147 147 ALA N N 360 123.005 122.175 0.830 1 1 1498 . 10 1 1 A 148 148 GLN H H 361 8.461 8.810 -0.349 1 1 1499 . 10 1 1 A 148 148 GLN HA H 361 4.663 4.011 0.652 1 1 1504 . 10 1 1 A 148 148 GLN C C 361 176.333 176.197 0.136 1 1 1505 . 10 1 1 A 148 148 GLN CA C 361 55.760 58.878 -3.118 1 1 1506 . 10 1 1 A 148 148 GLN CB C 361 29.937 28.096 1.841 1 1 1508 . 10 1 1 A 148 148 GLN N N 361 120.296 118.644 1.652 1 1 1509 . 10 1 1 A 149 149 GLY H H 362 8.631 7.860 0.771 1 1 1510 . 10 1 1 A 149 149 GLY HA2 H 362 3.858 3.875 -0.017 1 1 1511 . 10 1 1 A 149 149 GLY HA3 H 362 3.858 3.889 -0.031 1 1 1512 . 10 1 1 A 149 149 GLY C C 362 172.022 172.865 -0.843 1 1 1513 . 10 1 1 A 149 149 GLY CA C 362 44.969 46.747 -1.778 1 1 1514 . 10 1 1 A 149 149 GLY N N 362 109.782 107.494 2.288 1 1 1515 . 10 1 1 A 150 150 ASP H H 363 7.566 8.619 -1.053 1 1 1516 . 10 1 1 A 150 150 ASP HA H 363 4.661 5.479 -0.818 1 1 1519 . 10 1 1 A 150 150 ASP C C 363 174.446 174.633 -0.187 1 1 1520 . 10 1 1 A 150 150 ASP CA C 363 57.776 52.796 4.980 1 1 1521 . 10 1 1 A 150 150 ASP CB C 363 39.423 45.322 -5.899 1 1 1522 . 10 1 1 A 150 150 ASP N N 363 118.182 121.743 -3.561 1 1 1523 . 10 1 1 A 153 153 GLN HA H 366 4.665 4.460 0.205 1 1 1530 . 10 1 1 A 153 153 GLN CA C 366 53.779 56.633 -2.854 1 1 1531 . 10 1 1 A 153 153 GLN CB C 366 28.988 31.181 -2.193 1 1 1534 . 10 1 1 A 155 155 GLY HA2 H 368 3.899 4.091 -0.192 1 1 1535 . 10 1 1 A 155 155 GLY HA3 H 368 3.899 4.238 -0.339 1 1 1536 . 10 1 1 A 155 155 GLY CA C 368 45.013 44.334 0.679 1 1 1537 . 10 1 1 A 156 156 ILE H H 369 7.871 8.178 -0.307 1 1 1538 . 10 1 1 A 156 156 ILE HA H 369 4.428 4.866 -0.438 1 1 1548 . 10 1 1 A 156 156 ILE C C 369 174.196 175.370 -1.174 1 1 1549 . 10 1 1 A 156 156 ILE CA C 369 58.676 57.172 1.504 1 1 1550 . 10 1 1 A 156 156 ILE CB C 369 38.516 39.579 -1.063 1 1 1554 . 10 1 1 A 156 156 ILE N N 369 120.958 117.348 3.610 1 1 1555 . 10 1 1 A 157 157 PRO HA H 370 4.386 4.589 -0.203 1 1 1562 . 10 1 1 A 157 157 PRO C C 370 176.218 176.629 -0.411 1 1 1563 . 10 1 1 A 157 157 PRO CA C 370 63.431 64.089 -0.658 1 1 1564 . 10 1 1 A 157 157 PRO CB C 370 31.913 31.928 -0.015 1 1 1567 . 10 1 1 A 158 158 VAL H H 371 8.137 7.601 0.536 1 1 1568 . 10 1 1 A 158 158 VAL HA H 371 4.089 4.116 -0.027 1 1 1576 . 10 1 1 A 158 158 VAL C C 371 175.904 175.805 0.099 1 1 1577 . 10 1 1 A 158 158 VAL CA C 371 62.121 61.026 1.095 1 1 1578 . 10 1 1 A 158 158 VAL CB C 371 32.958 32.748 0.210 1 1 1581 . 10 1 1 A 158 158 VAL N N 371 119.640 115.189 4.451 1 1 1582 . 10 1 1 A 159 159 GLU H H 372 8.523 9.079 -0.556 1 1 1583 . 10 1 1 A 159 159 GLU HA H 372 4.345 5.157 -0.812 1 1 1588 . 10 1 1 A 159 159 GLU C C 372 176.068 175.427 0.641 1 1 1589 . 10 1 1 A 159 159 GLU CA C 372 56.474 54.184 2.290 1 1 1590 . 10 1 1 A 159 159 GLU CB C 372 30.078 33.852 -3.774 1 1 1592 . 10 1 1 A 159 159 GLU N N 372 123.765 118.189 5.576 1 1 1593 . 10 1 1 A 160 160 THR H H 373 8.096 8.493 -0.397 1 1 1594 . 10 1 1 A 160 160 THR HA H 373 4.311 4.966 -0.655 1 1 1599 . 10 1 1 A 160 160 THR C C 373 173.701 173.722 -0.021 1 1 1600 . 10 1 1 A 160 160 THR CA C 373 61.845 59.854 1.991 1 1 1601 . 10 1 1 A 160 160 THR CB C 373 69.760 69.578 0.182 1 1 1603 . 10 1 1 A 160 160 THR N N 373 114.143 112.101 2.042 1 1 1604 . 10 1 1 A 161 161 ASP H H 374 8.387 8.725 -0.338 1 1 1605 . 10 1 1 A 161 161 ASP HA H 374 4.625 4.599 0.026 1 1 1608 . 10 1 1 A 161 161 ASP C C 374 175.806 176.167 -0.361 1 1 1609 . 10 1 1 A 161 161 ASP CA C 374 54.478 56.159 -1.681 1 1 1610 . 10 1 1 A 161 161 ASP CB C 374 41.096 41.070 0.026 1 1 1611 . 10 1 1 A 161 161 ASP N N 374 122.070 125.551 -3.481 1 1 1612 . 10 1 1 A 162 162 SER H H 375 8.175 8.097 0.078 1 1 1613 . 10 1 1 A 162 162 SER HA H 375 4.385 4.405 -0.020 1 1 1616 . 10 1 1 A 162 162 SER C C 375 174.169 174.849 -0.680 1 1 1617 . 10 1 1 A 162 162 SER CA C 375 58.631 57.685 0.946 1 1 1618 . 10 1 1 A 162 162 SER CB C 375 63.814 62.149 1.665 1 1 1619 . 10 1 1 A 162 162 SER N N 375 115.346 113.912 1.434 1 1 1620 . 10 1 1 A 163 163 GLU H H 376 8.424 7.996 0.428 1 1 1621 . 10 1 1 A 163 163 GLU HA H 376 4.263 4.375 -0.112 1 1 1626 . 10 1 1 A 163 163 GLU C C 376 175.959 177.448 -1.489 1 1 1627 . 10 1 1 A 163 163 GLU CA C 376 56.567 55.225 1.342 1 1 1628 . 10 1 1 A 163 163 GLU CB C 376 30.044 29.200 0.844 1 1 1630 . 10 1 1 A 163 163 GLU N N 376 122.034 124.142 -2.108 1 1 1631 . 10 1 1 A 164 164 GLU H H 377 8.298 7.845 0.453 1 1 1632 . 10 1 1 A 164 164 GLU HA H 377 4.224 3.768 0.456 1 1 1637 . 10 1 1 A 164 164 GLU C C 377 175.816 178.570 -2.754 1 1 1638 . 10 1 1 A 164 164 GLU CA C 377 56.489 59.972 -3.483 1 1 1639 . 10 1 1 A 164 164 GLU CB C 377 30.220 29.757 0.463 1 1 1641 . 10 1 1 A 164 164 GLU N N 377 120.980 121.152 -0.172 1 1 1642 . 10 1 1 A 165 165 GLN H H 378 8.340 7.640 0.700 1 1 1643 . 10 1 1 A 165 165 GLN HA H 378 4.563 4.421 0.142 1 1 1645 . 10 1 1 A 165 165 GLN C C 378 173.510 175.910 -2.400 1 1 1646 . 10 1 1 A 165 165 GLN CA C 378 53.530 58.137 -4.607 1 1 1647 . 10 1 1 A 165 165 GLN CB C 378 28.816 30.162 -1.346 1 1 1649 . 10 1 1 A 165 165 GLN N N 378 121.693 116.738 4.955 1 1 1650 . 10 1 1 A 166 166 PRO HA H 379 4.381 4.707 -0.326 1 1 1657 . 10 1 1 A 166 166 PRO C C 379 176.081 176.202 -0.121 1 1 1658 . 10 1 1 A 166 166 PRO CA C 379 63.260 62.287 0.973 1 1 1659 . 10 1 1 A 166 166 PRO CB C 379 32.010 29.131 2.879 1 1 1662 . 10 1 1 A 167 167 TYR H H 380 8.116 8.306 -0.190 1 1 1663 . 10 1 1 A 167 167 TYR HA H 380 4.513 4.602 -0.089 1 1 1668 . 10 1 1 A 167 167 TYR C C 380 174.992 177.663 -2.671 1 1 1669 . 10 1 1 A 167 167 TYR CA C 380 57.699 57.892 -0.193 1 1 1670 . 10 1 1 A 167 167 TYR CB C 380 38.344 39.362 -1.018 1 1 1673 . 10 1 1 A 167 167 TYR N N 380 119.531 123.210 -3.679 1 1 1674 . 10 1 1 A 168 168 LEU H H 381 7.953 8.748 -0.795 1 1 1675 . 10 1 1 A 168 168 LEU HA H 381 4.267 4.116 0.151 1 1 1685 . 10 1 1 A 168 168 LEU C C 381 176.162 176.809 -0.647 1 1 1686 . 10 1 1 A 168 168 LEU CA C 381 54.808 57.605 -2.797 1 1 1687 . 10 1 1 A 168 168 LEU CB C 381 42.735 42.056 0.679 1 1 1691 . 10 1 1 A 168 168 LEU N N 381 124.133 121.533 2.600 1 1 1692 . 10 1 1 A 169 169 GLU H H 382 8.190 7.568 0.622 1 1 1693 . 10 1 1 A 169 169 GLU HA H 382 4.167 4.608 -0.441 1 1 1698 . 10 1 1 A 169 169 GLU C C 382 175.881 174.986 0.895 1 1 1699 . 10 1 1 A 169 169 GLU CA C 382 56.655 55.306 1.349 1 1 1700 . 10 1 1 A 169 169 GLU CB C 382 30.058 30.927 -0.869 1 1 1702 . 10 1 1 A 169 169 GLU N N 382 121.131 115.549 5.582 1 1 1703 . 10 1 1 A 170 170 MET H H 383 8.214 8.509 -0.295 1 1 1704 . 10 1 1 A 170 170 MET HA H 383 4.377 4.670 -0.293 1 1 1709 . 10 1 1 A 170 170 MET C C 383 175.132 175.695 -0.563 1 1 1710 . 10 1 1 A 170 170 MET CA C 383 55.606 55.877 -0.271 1 1 1711 . 10 1 1 A 170 170 MET CB C 383 33.091 34.958 -1.867 1 1 1713 . 10 1 1 A 170 170 MET N N 383 120.601 118.198 2.403 1 1 1714 . 10 1 1 A 171 171 ASP H H 384 8.358 7.883 0.475 1 1 1715 . 10 1 1 A 171 171 ASP HA H 384 4.575 4.760 -0.185 1 1 1718 . 10 1 1 A 171 171 ASP C C 384 175.966 175.339 0.627 1 1 1719 . 10 1 1 A 171 171 ASP CA C 384 53.741 54.123 -0.382 1 1 1720 . 10 1 1 A 171 171 ASP CB C 384 40.571 42.091 -1.520 1 1 1721 . 10 1 1 A 171 171 ASP N N 384 121.104 119.469 1.635 1 1 1722 . 10 1 1 A 172 172 LEU H H 385 8.285 8.550 -0.265 1 1 1723 . 10 1 1 A 172 172 LEU HA H 385 4.305 5.145 -0.840 1 1 1733 . 10 1 1 A 172 172 LEU C C 385 177.140 175.537 1.603 1 1 1734 . 10 1 1 A 172 172 LEU CA C 385 55.122 53.020 2.102 1 1 1735 . 10 1 1 A 172 172 LEU CB C 385 41.851 46.097 -4.246 1 1 1739 . 10 1 1 A 172 172 LEU N N 385 123.115 117.387 5.728 1 1 1740 . 10 1 1 A 173 173 SER H H 386 8.290 8.859 -0.569 1 1 1741 . 10 1 1 A 173 173 SER N N 386 115.101 117.330 -2.229 1 1 1742 . 10 1 1 A 176 176 GLN HA H 389 4.383 4.173 0.210 1 1 1749 . 10 1 1 A 176 176 GLN CA C 389 55.991 56.488 -0.497 1 1 1750 . 10 1 1 A 176 176 GLN CB C 389 29.280 29.361 -0.081 1 1 1753 . 10 1 1 A 177 177 THR H H 390 6.958 8.462 -1.504 1 1 1754 . 10 1 1 A 177 177 THR HA H 390 3.970 5.064 -1.094 1 1 1759 . 10 1 1 A 177 177 THR C C 390 172.764 174.364 -1.600 1 1 1760 . 10 1 1 A 177 177 THR CA C 390 62.221 59.964 2.257 1 1 1761 . 10 1 1 A 177 177 THR CB C 390 69.382 71.257 -1.875 1 1 1763 . 10 1 1 A 177 177 THR N N 390 115.463 116.075 -0.612 1 1 1764 . 10 1 1 A 178 178 ARG H H 391 7.873 8.428 -0.555 1 1 1765 . 10 1 1 A 178 178 ARG C C 391 174.982 175.633 -0.651 1 1 1766 . 10 1 1 A 178 178 ARG CA C 391 55.266 54.231 1.035 1 1 1767 . 10 1 1 A 178 178 ARG CB C 391 31.052 32.387 -1.335 1 1 1769 . 10 1 1 A 178 178 ARG N N 391 122.116 119.921 2.195 1 1 1770 . 10 1 1 A 179 179 TYR H H 392 8.812 8.608 0.204 1 1 1771 . 10 1 1 A 179 179 TYR HA H 392 4.621 4.794 -0.173 1 1 1776 . 10 1 1 A 179 179 TYR C C 392 174.337 175.516 -1.179 1 1 1777 . 10 1 1 A 179 179 TYR CA C 392 57.444 58.877 -1.433 1 1 1778 . 10 1 1 A 179 179 TYR CB C 392 40.623 39.992 0.631 1 1 1781 . 10 1 1 A 179 179 TYR N N 392 118.296 117.608 0.688 1 1 1782 . 10 1 1 A 180 180 ILE H H 393 7.254 7.453 -0.199 1 1 1783 . 10 1 1 A 180 180 ILE HA H 393 4.610 4.171 0.439 1 1 1793 . 10 1 1 A 180 180 ILE C C 393 171.654 174.723 -3.069 1 1 1794 . 10 1 1 A 180 180 ILE CA C 393 56.916 59.712 -2.796 1 1 1795 . 10 1 1 A 180 180 ILE CB C 393 39.736 39.023 0.713 1 1 1799 . 10 1 1 A 180 180 ILE N N 393 108.609 121.133 -12.524 1 1 1800 . 10 1 1 A 181 181 PRO HA H 394 4.709 4.938 -0.229 1 1 1807 . 10 1 1 A 181 181 PRO C C 394 173.910 176.507 -2.597 1 1 1808 . 10 1 1 A 181 181 PRO CA C 394 62.144 62.511 -0.367 1 1 1809 . 10 1 1 A 181 181 PRO CB C 394 32.527 33.276 -0.749 1 1 1812 . 10 1 1 A 182 182 ASP H H 395 8.296 9.178 -0.882 1 1 1813 . 10 1 1 A 182 182 ASP HA H 395 4.665 4.871 -0.206 1 1 1816 . 10 1 1 A 182 182 ASP C C 395 175.120 174.563 0.557 1 1 1817 . 10 1 1 A 182 182 ASP CA C 395 52.455 54.234 -1.779 1 1 1818 . 10 1 1 A 182 182 ASP CB C 395 38.742 41.505 -2.763 1 1 1819 . 10 1 1 A 182 182 ASP N N 395 120.042 119.611 0.431 1 1 1820 . 10 1 1 A 183 183 GLU H H 396 7.651 7.933 -0.282 1 1 1821 . 10 1 1 A 183 183 GLU HA H 396 4.492 4.917 -0.425 1 1 1826 . 10 1 1 A 183 183 GLU C C 396 173.702 175.259 -1.557 1 1 1827 . 10 1 1 A 183 183 GLU CA C 396 54.897 54.982 -0.085 1 1 1828 . 10 1 1 A 183 183 GLU CB C 396 32.509 33.840 -1.331 1 1 1830 . 10 1 1 A 183 183 GLU N N 396 117.840 117.126 0.714 1 1 1831 . 10 1 1 A 184 184 ALA H H 397 8.365 8.749 -0.384 1 1 1832 . 10 1 1 A 184 184 ALA HA H 397 4.394 4.953 -0.559 1 1 1836 . 10 1 1 A 184 184 ALA C C 397 175.829 177.333 -1.504 1 1 1837 . 10 1 1 A 184 184 ALA CA C 397 52.770 50.958 1.812 1 1 1838 . 10 1 1 A 184 184 ALA CB C 397 20.682 19.521 1.161 1 1 1839 . 10 1 1 A 184 184 ALA N N 397 121.613 125.155 -3.542 1 1 1840 . 10 1 1 A 185 185 ASP H H 398 7.245 8.288 -1.043 1 1 1841 . 10 1 1 A 185 185 ASP HA H 398 4.092 4.988 -0.896 1 1 1844 . 10 1 1 A 185 185 ASP C C 398 172.730 175.090 -2.360 1 1 1845 . 10 1 1 A 185 185 ASP CA C 398 56.144 54.255 1.889 1 1 1846 . 10 1 1 A 185 185 ASP CB C 398 39.841 42.462 -2.621 1 1 1847 . 10 1 1 A 185 185 ASP N N 398 105.829 119.164 -13.335 1 1 1848 . 10 1 1 A 186 186 PHE H H 399 8.467 7.599 0.868 1 1 1849 . 10 1 1 A 186 186 PHE HA H 399 5.486 5.102 0.384 1 1 1852 . 10 1 1 A 186 186 PHE C C 399 176.218 172.289 3.929 1 1 1853 . 10 1 1 A 186 186 PHE CA C 399 57.959 56.182 1.777 1 1 1854 . 10 1 1 A 186 186 PHE CB C 399 44.529 40.733 3.796 1 1 1855 . 10 1 1 A 186 186 PHE N N 399 116.177 116.506 -0.329 1 1 1856 . 10 1 1 A 187 187 LEU H H 400 8.964 8.665 0.299 1 1 1857 . 10 1 1 A 187 187 LEU HA H 400 4.963 4.814 0.149 1 1 1867 . 10 1 1 A 187 187 LEU C C 400 171.747 174.894 -3.147 1 1 1868 . 10 1 1 A 187 187 LEU CA C 400 55.422 53.809 1.613 1 1 1869 . 10 1 1 A 187 187 LEU CB C 400 45.641 44.863 0.778 1 1 1873 . 10 1 1 A 187 187 LEU N N 400 121.383 121.988 -0.605 1 1 1874 . 10 1 1 A 188 188 LEU H H 401 9.312 8.747 0.565 1 1 1875 . 10 1 1 A 188 188 LEU HA H 401 5.580 5.085 0.495 1 1 1885 . 10 1 1 A 188 188 LEU C C 401 173.853 175.331 -1.478 1 1 1886 . 10 1 1 A 188 188 LEU CA C 401 53.421 53.476 -0.055 1 1 1887 . 10 1 1 A 188 188 LEU CB C 401 45.403 43.869 1.534 1 1 1891 . 10 1 1 A 188 188 LEU N N 401 128.151 128.048 0.103 1 1 1892 . 10 1 1 A 189 189 GLY H H 402 9.415 9.306 0.109 1 1 1893 . 10 1 1 A 189 189 GLY HA2 H 402 4.670 4.060 0.610 1 1 1894 . 10 1 1 A 189 189 GLY HA3 H 402 3.663 4.116 -0.453 1 1 1895 . 10 1 1 A 189 189 GLY C C 402 171.014 174.538 -3.524 1 1 1896 . 10 1 1 A 189 189 GLY CA C 402 44.967 47.085 -2.118 1 1 1897 . 10 1 1 A 189 189 GLY N N 402 115.881 115.338 0.543 1 1 1898 . 10 1 1 A 190 190 MET H H 403 8.118 8.548 -0.430 1 1 1899 . 10 1 1 A 190 190 MET HA H 403 5.314 4.715 0.599 1 1 1907 . 10 1 1 A 190 190 MET C C 403 173.744 175.322 -1.578 1 1 1908 . 10 1 1 A 190 190 MET CA C 403 53.284 54.859 -1.575 1 1 1909 . 10 1 1 A 190 190 MET CB C 403 36.614 33.609 3.005 1 1 1912 . 10 1 1 A 190 190 MET N N 403 122.165 121.719 0.446 1 1 1934 . 10 1 1 A 203 203 ALA H H 416 8.076 8.663 -0.587 1 1 1935 . 10 1 1 A 203 203 ALA HA H 416 4.228 4.077 0.151 1 1 1939 . 10 1 1 A 203 203 ALA C C 416 176.895 178.127 -1.232 1 1 1940 . 10 1 1 A 203 203 ALA CA C 416 52.743 55.302 -2.559 1 1 1941 . 10 1 1 A 203 203 ALA CB C 416 18.723 19.054 -0.331 1 1 1942 . 10 1 1 A 203 203 ALA N N 416 119.053 127.654 -8.601 1 1 1943 . 10 1 1 A 204 204 GLU H H 417 7.784 8.187 -0.403 1 1 1944 . 10 1 1 A 204 204 GLU HA H 417 4.350 4.071 0.279 1 1 1949 . 10 1 1 A 204 204 GLU C C 417 175.678 176.026 -0.348 1 1 1950 . 10 1 1 A 204 204 GLU CA C 417 55.650 57.294 -1.644 1 1 1951 . 10 1 1 A 204 204 GLU CB C 417 30.312 27.418 2.894 1 1 1953 . 10 1 1 A 204 204 GLU N N 417 116.458 117.444 -0.986 1 1 1954 . 10 1 1 A 205 205 GLY H H 418 7.910 8.125 -0.215 1 1 1955 . 10 1 1 A 205 205 GLY CA C 418 43.804 44.558 -0.754 1 1 1956 . 10 1 1 A 205 205 GLY N N 418 108.024 109.218 -1.194 1 1 1957 . 10 1 1 A 206 206 THR H H 419 8.364 8.392 -0.028 1 1 1958 . 10 1 1 A 206 206 THR HA H 419 4.316 5.070 -0.754 1 1 1963 . 10 1 1 A 206 206 THR CA C 419 64.682 60.012 4.670 1 1 1964 . 10 1 1 A 206 206 THR CB C 419 69.304 71.403 -2.099 1 1 1966 . 10 1 1 A 206 206 THR N N 419 115.417 114.091 1.326 1 1 1967 . 10 1 1 A 207 207 TRP HA H 420 4.116 5.282 -1.166 1 1 1976 . 10 1 1 A 207 207 TRP CA C 420 61.178 55.013 6.165 1 1 1977 . 10 1 1 A 207 207 TRP CB C 420 28.670 31.826 -3.156 1 1 1984 . 10 1 1 A 209 209 ILE H H 422 6.744 7.508 -0.764 1 1 1985 . 10 1 1 A 209 209 ILE HA H 422 3.349 3.859 -0.510 1 1 1993 . 10 1 1 A 209 209 ILE C C 422 178.143 175.721 2.422 1 1 1994 . 10 1 1 A 209 209 ILE CA C 422 60.865 63.058 -2.193 1 1 1995 . 10 1 1 A 209 209 ILE CB C 422 34.371 36.097 -1.726 1 1 1999 . 10 1 1 A 209 209 ILE N N 422 113.211 115.597 -2.386 1 1 2000 . 10 1 1 A 210 210 GLN H H 423 8.252 8.298 -0.046 1 1 2001 . 10 1 1 A 210 210 GLN HA H 423 3.548 4.121 -0.573 1 1 2006 . 10 1 1 A 210 210 GLN C C 423 179.079 177.410 1.669 1 1 2007 . 10 1 1 A 210 210 GLN CA C 423 58.795 58.250 0.545 1 1 2008 . 10 1 1 A 210 210 GLN CB C 423 26.704 28.678 -1.974 1 1 2010 . 10 1 1 A 210 210 GLN N N 423 116.455 122.008 -5.553 1 1 2011 . 10 1 1 A 211 211 SER H H 424 8.162 7.994 0.168 1 1 2012 . 10 1 1 A 211 211 SER HA H 424 3.961 4.500 -0.539 1 1 2015 . 10 1 1 A 211 211 SER C C 424 179.150 176.685 2.465 1 1 2016 . 10 1 1 A 211 211 SER CA C 424 61.850 60.440 1.410 1 1 2017 . 10 1 1 A 211 211 SER CB C 424 62.214 63.841 -1.627 1 1 2018 . 10 1 1 A 211 211 SER N N 424 115.041 115.157 -0.116 1 1 2019 . 10 1 1 A 212 212 LEU H H 425 8.061 8.003 0.058 1 1 2020 . 10 1 1 A 212 212 LEU HA H 425 3.540 4.133 -0.593 1 1 2030 . 10 1 1 A 212 212 LEU C C 425 177.566 178.237 -0.671 1 1 2031 . 10 1 1 A 212 212 LEU CA C 425 58.548 57.455 1.093 1 1 2032 . 10 1 1 A 212 212 LEU CB C 425 41.665 42.116 -0.451 1 1 2036 . 10 1 1 A 212 212 LEU N N 425 124.082 123.453 0.629 1 1 2037 . 10 1 1 A 213 213 CYS H H 426 7.940 8.018 -0.078 1 1 2038 . 10 1 1 A 213 213 CYS HA H 426 3.628 4.322 -0.694 1 1 2041 . 10 1 1 A 213 213 CYS C C 426 175.741 175.549 0.192 1 1 2042 . 10 1 1 A 213 213 CYS CA C 426 65.159 60.384 4.775 1 1 2043 . 10 1 1 A 213 213 CYS CB C 426 49.251 26.976 22.275 1 1 2044 . 10 1 1 A 213 213 CYS N N 426 114.351 117.396 -3.045 1 1 2045 . 10 1 1 A 214 214 GLN H H 427 7.510 8.076 -0.566 1 1 2046 . 10 1 1 A 214 214 GLN HA H 427 3.772 4.451 -0.679 1 1 2051 . 10 1 1 A 214 214 GLN C C 427 177.769 177.684 0.085 1 1 2052 . 10 1 1 A 214 214 GLN CA C 427 59.019 56.428 2.591 1 1 2053 . 10 1 1 A 214 214 GLN CB C 427 27.718 29.719 -2.001 1 1 2055 . 10 1 1 A 214 214 GLN N N 427 117.399 118.262 -0.863 1 1 2056 . 10 1 1 A 215 215 SER H H 428 7.906 7.918 -0.012 1 1 2057 . 10 1 1 A 215 215 SER HA H 428 4.173 4.363 -0.190 1 1 2060 . 10 1 1 A 215 215 SER CA C 428 62.653 61.089 1.564 1 1 2061 . 10 1 1 A 215 215 SER CB C 428 62.889 63.272 -0.383 1 1 2062 . 10 1 1 A 215 215 SER N N 428 113.799 115.606 -1.807 1 1 2063 . 10 1 1 A 216 216 LEU H H 429 8.505 7.833 0.672 1 1 2064 . 10 1 1 A 216 216 LEU HA H 429 4.156 3.913 0.243 1 1 2071 . 10 1 1 A 216 216 LEU C C 429 178.848 177.912 0.936 1 1 2072 . 10 1 1 A 216 216 LEU CA C 429 58.053 57.868 0.185 1 1 2073 . 10 1 1 A 216 216 LEU CB C 429 41.222 41.195 0.027 1 1 2076 . 10 1 1 A 216 216 LEU N N 429 121.357 118.934 2.423 1 1 2077 . 10 1 1 A 217 217 ARG H H 430 7.972 8.508 -0.536 1 1 2078 . 10 1 1 A 217 217 ARG HA H 430 3.850 4.164 -0.314 1 1 2085 . 10 1 1 A 217 217 ARG C C 430 178.237 176.809 1.428 1 1 2086 . 10 1 1 A 217 217 ARG CA C 430 59.472 57.738 1.734 1 1 2087 . 10 1 1 A 217 217 ARG CB C 430 30.256 29.555 0.701 1 1 2090 . 10 1 1 A 217 217 ARG N N 430 116.018 120.944 -4.926 1 1 2091 . 10 1 1 A 218 218 GLU H H 431 7.583 7.884 -0.301 1 1 2092 . 10 1 1 A 218 218 GLU HA H 431 4.119 4.329 -0.210 1 1 2096 . 10 1 1 A 218 218 GLU C C 431 178.377 175.647 2.730 1 1 2097 . 10 1 1 A 218 218 GLU CA C 431 58.207 56.470 1.737 1 1 2098 . 10 1 1 A 218 218 GLU CB C 431 30.548 29.651 0.897 1 1 2100 . 10 1 1 A 218 218 GLU N N 431 113.645 118.020 -4.375 1 1 2101 . 10 1 1 A 219 219 ARG H H 432 8.621 8.032 0.589 1 1 2102 . 10 1 1 A 219 219 ARG HA H 432 4.180 4.035 0.145 1 1 2103 . 10 1 1 A 219 219 ARG C C 432 178.455 176.078 2.377 1 1 2104 . 10 1 1 A 219 219 ARG CA C 432 58.428 57.110 1.318 1 1 2105 . 10 1 1 A 219 219 ARG CB C 432 30.936 27.702 3.234 1 1 2107 . 10 1 1 A 219 219 ARG N N 432 114.272 116.105 -1.833 1 1 2108 . 10 1 1 A 220 220 CYS H H 433 8.828 8.423 0.405 1 1 2109 . 10 1 1 A 220 220 CYS HA H 433 4.464 4.122 0.342 1 1 2112 . 10 1 1 A 220 220 CYS C C 433 176.708 175.614 1.094 1 1 2113 . 10 1 1 A 220 220 CYS CA C 433 66.312 59.792 6.520 1 1 2114 . 10 1 1 A 220 220 CYS CB C 433 47.095 26.021 21.074 1 1 2115 . 10 1 1 A 220 220 CYS N N 433 120.012 116.832 3.180 1 1 2116 . 10 1 1 A 221 221 PRO HA H 434 4.463 4.315 0.148 1 1 2123 . 10 1 1 A 221 221 PRO C C 434 177.064 178.964 -1.900 1 1 2124 . 10 1 1 A 221 221 PRO CA C 434 65.717 65.420 0.297 1 1 2125 . 10 1 1 A 221 221 PRO CB C 434 31.169 31.053 0.116 1 1 2128 . 10 1 1 A 222 222 ARG H H 435 6.904 7.883 -0.979 1 1 2129 . 10 1 1 A 222 222 ARG HA H 435 4.331 4.272 0.059 1 1 2136 . 10 1 1 A 222 222 ARG C C 435 176.536 177.317 -0.781 1 1 2137 . 10 1 1 A 222 222 ARG CA C 435 55.901 56.773 -0.872 1 1 2138 . 10 1 1 A 222 222 ARG CB C 435 30.116 30.535 -0.419 1 1 2141 . 10 1 1 A 222 222 ARG N N 435 112.486 117.367 -4.881 1 1 2142 . 10 1 1 A 223 223 GLY H H 436 8.160 7.701 0.459 1 1 2143 . 10 1 1 A 223 223 GLY HA2 H 436 4.237 3.964 0.273 1 1 2144 . 10 1 1 A 223 223 GLY HA3 H 436 3.643 3.976 -0.333 1 1 2145 . 10 1 1 A 223 223 GLY C C 436 173.338 174.780 -1.442 1 1 2146 . 10 1 1 A 223 223 GLY CA C 436 43.988 46.460 -2.472 1 1 2147 . 10 1 1 A 223 223 GLY N N 436 105.931 108.997 -3.066 1 1 2148 . 10 1 1 A 224 224 ASP H H 437 6.891 8.034 -1.143 1 1 2149 . 10 1 1 A 224 224 ASP HA H 437 4.500 4.598 -0.098 1 1 2151 . 10 1 1 A 224 224 ASP C C 437 173.806 175.704 -1.898 1 1 2152 . 10 1 1 A 224 224 ASP CA C 437 54.576 55.317 -0.741 1 1 2153 . 10 1 1 A 224 224 ASP CB C 437 40.588 41.536 -0.948 1 1 2154 . 10 1 1 A 224 224 ASP N N 437 119.342 120.521 -1.179 1 1 2155 . 10 1 1 A 225 225 ASP H H 438 8.054 8.835 -0.781 1 1 2156 . 10 1 1 A 225 225 ASP HA H 438 4.912 4.987 -0.075 1 1 2159 . 10 1 1 A 225 225 ASP C C 438 175.631 176.879 -1.248 1 1 2160 . 10 1 1 A 225 225 ASP CA C 438 52.579 54.840 -2.261 1 1 2161 . 10 1 1 A 225 225 ASP CB C 438 42.616 40.953 1.663 1 1 2162 . 10 1 1 A 225 225 ASP N N 438 117.877 122.074 -4.197 1 1 2163 . 10 1 1 A 226 226 ILE H H 439 9.101 8.415 0.686 1 1 2164 . 10 1 1 A 226 226 ILE HA H 439 3.621 3.808 -0.187 1 1 2174 . 10 1 1 A 226 226 ILE C C 439 176.146 177.503 -1.357 1 1 2175 . 10 1 1 A 226 226 ILE CA C 439 62.602 64.675 -2.073 1 1 2176 . 10 1 1 A 226 226 ILE CB C 439 36.530 37.470 -0.940 1 1 2180 . 10 1 1 A 226 226 ILE N N 439 118.352 123.800 -5.448 1 1 2181 . 10 1 1 A 227 227 LEU H H 440 7.814 7.841 -0.027 1 1 2182 . 10 1 1 A 227 227 LEU HA H 440 3.918 3.872 0.046 1 1 2192 . 10 1 1 A 227 227 LEU C C 440 179.397 179.170 0.227 1 1 2193 . 10 1 1 A 227 227 LEU CA C 440 58.566 57.952 0.614 1 1 2194 . 10 1 1 A 227 227 LEU CB C 440 40.819 41.399 -0.580 1 1 2198 . 10 1 1 A 227 227 LEU N N 440 119.906 120.636 -0.730 1 1 2199 . 10 1 1 A 228 228 THR H H 441 7.665 7.751 -0.086 1 1 2200 . 10 1 1 A 228 228 THR HA H 441 4.289 4.113 0.176 1 1 2205 . 10 1 1 A 228 228 THR C C 441 179.489 176.230 3.259 1 1 2206 . 10 1 1 A 228 228 THR CA C 441 61.837 66.100 -4.263 1 1 2207 . 10 1 1 A 228 228 THR CB C 441 69.979 69.075 0.904 1 1 2209 . 10 1 1 A 228 228 THR N N 441 120.011 114.162 5.849 1 1 2210 . 10 1 1 A 229 229 ILE H H 442 7.807 8.142 -0.335 1 1 2211 . 10 1 1 A 229 229 ILE HA H 442 3.300 3.671 -0.371 1 1 2221 . 10 1 1 A 229 229 ILE C C 442 177.728 177.937 -0.209 1 1 2222 . 10 1 1 A 229 229 ILE CA C 442 66.069 65.362 0.707 1 1 2223 . 10 1 1 A 229 229 ILE CB C 442 38.260 37.937 0.323 1 1 2227 . 10 1 1 A 229 229 ILE N N 442 119.411 120.651 -1.240 1 1 2228 . 10 1 1 A 230 230 LEU H H 443 8.530 7.952 0.578 1 1 2229 . 10 1 1 A 230 230 LEU HA H 443 3.958 4.095 -0.137 1 1 2239 . 10 1 1 A 230 230 LEU C C 443 178.689 178.287 0.402 1 1 2240 . 10 1 1 A 230 230 LEU CA C 443 57.697 57.882 -0.185 1 1 2241 . 10 1 1 A 230 230 LEU CB C 443 42.191 42.097 0.094 1 1 2245 . 10 1 1 A 230 230 LEU N N 443 116.186 120.383 -4.197 1 1 2246 . 10 1 1 A 231 231 THR H H 444 8.008 8.031 -0.023 1 1 2247 . 10 1 1 A 231 231 THR HA H 444 4.153 4.575 -0.422 1 1 2252 . 10 1 1 A 231 231 THR C C 444 175.208 175.752 -0.544 1 1 2253 . 10 1 1 A 231 231 THR CA C 444 65.327 61.554 3.773 1 1 2254 . 10 1 1 A 231 231 THR CB C 444 69.718 69.394 0.324 1 1 2256 . 10 1 1 A 231 231 THR N N 444 112.075 107.049 5.026 1 1 2257 . 10 1 1 A 232 232 GLU H H 445 7.717 7.790 -0.073 1 1 2258 . 10 1 1 A 232 232 GLU HA H 445 4.186 4.185 0.001 1 1 2259 . 10 1 1 A 232 232 GLU C C 445 177.156 177.467 -0.311 1 1 2260 . 10 1 1 A 232 232 GLU CA C 445 57.891 58.291 -0.400 1 1 2261 . 10 1 1 A 232 232 GLU CB C 445 28.836 29.712 -0.876 1 1 2263 . 10 1 1 A 232 232 GLU N N 445 120.074 121.721 -1.647 1 1 2294 . 10 1 1 A 252 252 GLN H H 465 8.586 8.537 0.049 1 1 2295 . 10 1 1 A 252 252 GLN HA H 465 4.689 4.732 -0.043 1 1 2296 . 10 1 1 A 252 252 GLN C C 465 174.446 173.985 0.461 1 1 2297 . 10 1 1 A 252 252 GLN CA C 465 53.682 53.038 0.644 1 1 2298 . 10 1 1 A 252 252 GLN CB C 465 28.537 32.086 -3.549 1 1 2300 . 10 1 1 A 252 252 GLN N N 465 121.782 120.186 1.596 1 1 2301 . 10 1 1 A 253 253 PRO HA H 466 4.902 4.816 0.086 1 1 2302 . 10 1 1 A 253 253 PRO C C 466 174.937 177.107 -2.170 1 1 2303 . 10 1 1 A 253 253 PRO CA C 466 63.075 62.467 0.608 1 1 2304 . 10 1 1 A 253 253 PRO CB C 466 32.384 32.246 0.138 1 1 2307 . 10 1 1 A 254 254 THR H H 467 8.556 8.754 -0.198 1 1 2308 . 10 1 1 A 254 254 THR HA H 467 4.659 4.546 0.113 1 1 2313 . 10 1 1 A 254 254 THR C C 467 172.995 174.001 -1.006 1 1 2314 . 10 1 1 A 254 254 THR CA C 467 61.740 61.181 0.559 1 1 2315 . 10 1 1 A 254 254 THR CB C 467 70.195 69.028 1.167 1 1 2317 . 10 1 1 A 254 254 THR N N 467 115.754 115.149 0.605 1 1 2318 . 10 1 1 A 255 255 PHE H H 468 8.560 7.705 0.855 1 1 2319 . 10 1 1 A 255 255 PHE HA H 468 5.502 4.890 0.612 1 1 2322 . 10 1 1 A 255 255 PHE C C 468 173.198 174.816 -1.618 1 1 2323 . 10 1 1 A 255 255 PHE CA C 468 56.283 55.296 0.987 1 1 2324 . 10 1 1 A 255 255 PHE CB C 468 43.426 41.491 1.935 1 1 2325 . 10 1 1 A 255 255 PHE N N 468 120.481 118.506 1.975 1 1 2326 . 10 1 1 A 256 256 THR H H 469 9.702 8.382 1.320 1 1 2327 . 10 1 1 A 256 256 THR HA H 469 4.662 4.865 -0.203 1 1 2332 . 10 1 1 A 256 256 THR C C 469 176.561 173.224 3.337 1 1 2333 . 10 1 1 A 256 256 THR CA C 469 59.948 59.862 0.086 1 1 2334 . 10 1 1 A 256 256 THR CB C 469 69.145 68.944 0.201 1 1 2336 . 10 1 1 A 256 256 THR N N 469 108.601 112.497 -3.896 1 1 2337 . 10 1 1 A 257 257 LEU H H 470 7.235 9.030 -1.795 1 1 2338 . 10 1 1 A 257 257 LEU HA H 470 4.401 5.100 -0.699 1 1 2348 . 10 1 1 A 257 257 LEU C C 470 175.975 176.688 -0.713 1 1 2349 . 10 1 1 A 257 257 LEU CA C 470 55.492 53.634 1.858 1 1 2350 . 10 1 1 A 257 257 LEU CB C 470 41.850 45.788 -3.938 1 1 2354 . 10 1 1 A 257 257 LEU N N 470 120.802 127.649 -6.847 1 1 2355 . 10 1 1 A 258 258 ARG H H 471 8.228 8.776 -0.548 1 1 2356 . 10 1 1 A 258 258 ARG HA H 471 4.631 4.582 0.049 1 1 2363 . 10 1 1 A 258 258 ARG C C 471 174.114 175.885 -1.771 1 1 2364 . 10 1 1 A 258 258 ARG CA C 471 55.071 56.393 -1.322 1 1 2365 . 10 1 1 A 258 258 ARG CB C 471 32.470 31.347 1.123 1 1 2368 . 10 1 1 A 258 258 ARG N N 471 118.883 119.215 -0.332 1 1 2369 . 10 1 1 A 259 259 LYS H H 472 7.217 7.707 -0.490 1 1 2370 . 10 1 1 A 259 259 LYS HA H 472 4.260 4.907 -0.647 1 1 2379 . 10 1 1 A 259 259 LYS C C 472 174.571 174.819 -0.248 1 1 2380 . 10 1 1 A 259 259 LYS CA C 472 53.269 54.354 -1.085 1 1 2381 . 10 1 1 A 259 259 LYS CB C 472 36.332 35.561 0.771 1 1 2385 . 10 1 1 A 259 259 LYS N N 472 116.031 116.171 -0.140 1 1 2386 . 10 1 1 A 260 260 LYS H H 473 8.357 8.479 -0.122 1 1 2387 . 10 1 1 A 260 260 LYS HA H 473 4.297 4.482 -0.185 1 1 2396 . 10 1 1 A 260 260 LYS C C 473 174.137 175.688 -1.551 1 1 2397 . 10 1 1 A 260 260 LYS CA C 473 57.258 56.478 0.780 1 1 2398 . 10 1 1 A 260 260 LYS CB C 473 33.561 32.761 0.800 1 1 2402 . 10 1 1 A 260 260 LYS N N 473 119.377 122.536 -3.159 1 1 2403 . 10 1 1 A 261 261 LEU H H 474 9.288 8.771 0.517 1 1 2404 . 10 1 1 A 261 261 LEU HA H 474 5.048 4.733 0.315 1 1 2414 . 10 1 1 A 261 261 LEU C C 474 172.558 174.757 -2.199 1 1 2415 . 10 1 1 A 261 261 LEU CA C 474 53.327 53.921 -0.594 1 1 2416 . 10 1 1 A 261 261 LEU CB C 474 44.313 42.408 1.905 1 1 2420 . 10 1 1 A 261 261 LEU N N 474 126.482 129.049 -2.567 1 1 2421 . 10 1 1 A 262 262 VAL H H 475 8.876 8.778 0.098 1 1 2422 . 10 1 1 A 262 262 VAL HA H 475 4.238 4.789 -0.551 1 1 2430 . 10 1 1 A 262 262 VAL C C 475 174.243 175.075 -0.832 1 1 2431 . 10 1 1 A 262 262 VAL CA C 475 59.734 61.275 -1.541 1 1 2432 . 10 1 1 A 262 262 VAL CB C 475 34.790 33.949 0.841 1 1 2435 . 10 1 1 A 262 262 VAL N N 475 124.316 126.900 -2.584 1 1 2436 . 10 1 1 A 263 263 PHE H H 476 8.826 8.930 -0.104 1 1 2437 . 10 1 1 A 263 263 PHE HA H 476 5.518 4.890 0.628 1 1 2443 . 10 1 1 A 263 263 PHE C C 476 171.887 173.688 -1.801 1 1 2444 . 10 1 1 A 263 263 PHE CA C 476 52.082 55.292 -3.210 1 1 2445 . 10 1 1 A 263 263 PHE CB C 476 39.792 41.167 -1.375 1 1 2449 . 10 1 1 A 263 263 PHE N N 476 122.867 125.411 -2.544 1 1 2450 . 10 1 1 A 264 264 PRO HA H 477 4.649 4.706 -0.057 1 1 2457 . 10 1 1 A 264 264 PRO C C 477 178.322 176.987 1.335 1 1 2458 . 10 1 1 A 264 264 PRO CA C 477 62.333 62.825 -0.492 1 1 2459 . 10 1 1 A 264 264 PRO CB C 477 32.553 33.315 -0.762 1 1 2462 . 10 1 1 A 265 265 SER H H 478 8.763 8.909 -0.146 1 1 2463 . 10 1 1 A 265 265 SER HA H 478 4.494 4.403 0.091 1 1 2466 . 10 1 1 A 265 265 SER C C 478 173.725 175.540 -1.815 1 1 2467 . 10 1 1 A 265 265 SER CA C 478 59.060 60.265 -1.205 1 1 2468 . 10 1 1 A 265 265 SER CB C 478 64.038 63.649 0.389 1 1 2469 . 10 1 1 A 265 265 SER N N 478 116.725 117.482 -0.757 1 1 17 . 11 1 1 A 12 12 VAL H H 225 7.819 8.304 -0.485 1 1 18 . 11 1 1 A 12 12 VAL HA H 225 4.946 4.135 0.811 1 1 26 . 11 1 1 A 12 12 VAL C C 225 175.898 175.468 0.430 1 1 27 . 11 1 1 A 12 12 VAL CA C 225 59.650 62.569 -2.919 1 1 28 . 11 1 1 A 12 12 VAL CB C 225 35.296 33.036 2.260 1 1 31 . 11 1 1 A 12 12 VAL N N 225 117.637 123.055 -5.418 1 1 32 . 11 1 1 A 13 13 TYR H H 226 8.318 8.390 -0.072 1 1 33 . 11 1 1 A 13 13 TYR HA H 226 4.291 4.527 -0.236 1 1 36 . 11 1 1 A 13 13 TYR C C 226 176.911 176.272 0.639 1 1 37 . 11 1 1 A 13 13 TYR CA C 226 60.063 59.059 1.004 1 1 38 . 11 1 1 A 13 13 TYR CB C 226 37.843 39.208 -1.365 1 1 39 . 11 1 1 A 13 13 TYR N N 226 122.976 128.991 -6.015 1 1 40 . 11 1 1 A 14 14 GLN H H 227 9.128 7.961 1.167 1 1 41 . 11 1 1 A 14 14 GLN HA H 227 3.996 4.488 -0.492 1 1 46 . 11 1 1 A 14 14 GLN C C 227 175.052 176.538 -1.486 1 1 47 . 11 1 1 A 14 14 GLN CA C 227 57.421 55.395 2.026 1 1 48 . 11 1 1 A 14 14 GLN CB C 227 29.550 30.229 -0.679 1 1 50 . 11 1 1 A 14 14 GLN N N 227 124.676 123.953 0.723 1 1 51 . 11 1 1 A 15 15 MET H H 228 8.465 7.763 0.702 1 1 52 . 11 1 1 A 15 15 MET HA H 228 5.210 4.137 1.073 1 1 60 . 11 1 1 A 15 15 MET C C 228 172.979 175.428 -2.449 1 1 61 . 11 1 1 A 15 15 MET CA C 228 52.955 56.245 -3.290 1 1 62 . 11 1 1 A 15 15 MET CB C 228 30.751 30.492 0.259 1 1 65 . 11 1 1 A 15 15 MET N N 228 128.835 119.166 9.669 1 1 66 . 11 1 1 A 16 16 LYS H H 229 9.119 7.731 1.388 1 1 67 . 11 1 1 A 16 16 LYS HA H 229 4.558 4.308 0.250 1 1 76 . 11 1 1 A 16 16 LYS C C 229 176.209 177.427 -1.218 1 1 77 . 11 1 1 A 16 16 LYS CA C 229 55.916 56.786 -0.870 1 1 78 . 11 1 1 A 16 16 LYS CB C 229 35.555 32.485 3.070 1 1 82 . 11 1 1 A 16 16 LYS N N 229 120.235 120.624 -0.389 1 1 83 . 11 1 1 A 17 17 SER H H 230 9.101 8.924 0.177 1 1 84 . 11 1 1 A 17 17 SER HA H 230 4.077 4.055 0.022 1 1 87 . 11 1 1 A 17 17 SER C C 230 172.995 174.655 -1.660 1 1 88 . 11 1 1 A 17 17 SER CA C 230 59.615 59.192 0.423 1 1 89 . 11 1 1 A 17 17 SER CB C 230 64.482 61.527 2.955 1 1 90 . 11 1 1 A 17 17 SER N N 230 121.500 117.708 3.792 1 1 91 . 11 1 1 A 18 18 LYS H H 231 8.120 7.438 0.682 1 1 92 . 11 1 1 A 18 18 LYS HA H 231 4.373 4.743 -0.370 1 1 101 . 11 1 1 A 18 18 LYS C C 231 173.565 175.588 -2.023 1 1 102 . 11 1 1 A 18 18 LYS CA C 231 53.231 53.176 0.055 1 1 103 . 11 1 1 A 18 18 LYS CB C 231 34.596 32.079 2.517 1 1 107 . 11 1 1 A 18 18 LYS N N 231 120.561 120.626 -0.065 1 1 108 . 11 1 1 A 19 19 PRO HA H 232 4.898 4.137 0.761 1 1 115 . 11 1 1 A 19 19 PRO C C 232 176.162 178.001 -1.839 1 1 116 . 11 1 1 A 19 19 PRO CA C 232 62.838 64.188 -1.350 1 1 117 . 11 1 1 A 19 19 PRO CB C 232 34.997 31.634 3.363 1 1 120 . 11 1 1 A 20 20 ARG H H 233 8.782 8.257 0.525 1 1 121 . 11 1 1 A 20 20 ARG HA H 233 3.651 4.333 -0.682 1 1 122 . 11 1 1 A 20 20 ARG C C 233 175.210 177.497 -2.287 1 1 123 . 11 1 1 A 20 20 ARG CA C 233 56.621 58.122 -1.501 1 1 124 . 11 1 1 A 20 20 ARG CB C 233 30.581 29.734 0.847 1 1 127 . 11 1 1 A 20 20 ARG N N 233 118.785 118.197 0.588 1 1 128 . 11 1 1 A 21 21 GLY H H 234 6.490 8.008 -1.518 1 1 129 . 11 1 1 A 21 21 GLY HA2 H 234 4.312 4.214 0.098 1 1 130 . 11 1 1 A 21 21 GLY HA3 H 234 4.662 4.543 0.119 1 1 131 . 11 1 1 A 21 21 GLY C C 234 172.012 172.981 -0.969 1 1 132 . 11 1 1 A 21 21 GLY CA C 234 43.743 46.388 -2.645 1 1 133 . 11 1 1 A 21 21 GLY N N 234 128.529 107.278 21.251 1 1 134 . 11 1 1 A 22 22 TYR H H 235 9.327 8.780 0.547 1 1 135 . 11 1 1 A 22 22 TYR HA H 235 5.260 4.566 0.694 1 1 140 . 11 1 1 A 22 22 TYR C C 235 173.931 175.056 -1.125 1 1 141 . 11 1 1 A 22 22 TYR CA C 235 58.287 56.978 1.309 1 1 142 . 11 1 1 A 22 22 TYR CB C 235 39.762 37.751 2.011 1 1 145 . 11 1 1 A 22 22 TYR N N 235 119.429 125.914 -6.485 1 1 146 . 11 1 1 A 23 23 CYS H H 236 8.665 8.317 0.348 1 1 147 . 11 1 1 A 23 23 CYS HA H 236 4.928 4.104 0.824 1 1 148 . 11 1 1 A 23 23 CYS C C 236 172.970 174.203 -1.233 1 1 149 . 11 1 1 A 23 23 CYS CA C 236 55.636 58.882 -3.246 1 1 150 . 11 1 1 A 23 23 CYS CB C 236 50.040 27.819 22.221 1 1 151 . 11 1 1 A 23 23 CYS N N 236 120.485 124.313 -3.828 1 1 152 . 11 1 1 A 24 24 LEU H H 237 8.619 8.476 0.143 1 1 153 . 11 1 1 A 24 24 LEU HA H 237 4.691 4.966 -0.275 1 1 163 . 11 1 1 A 24 24 LEU C C 237 175.850 175.909 -0.059 1 1 164 . 11 1 1 A 24 24 LEU CA C 237 54.053 53.910 0.143 1 1 165 . 11 1 1 A 24 24 LEU CB C 237 44.117 42.652 1.465 1 1 169 . 11 1 1 A 24 24 LEU N N 237 129.465 125.586 3.879 1 1 170 . 11 1 1 A 25 25 ILE H H 238 8.304 8.988 -0.684 1 1 171 . 11 1 1 A 25 25 ILE HA H 238 4.639 5.062 -0.423 1 1 179 . 11 1 1 A 25 25 ILE C C 238 174.032 175.217 -1.185 1 1 180 . 11 1 1 A 25 25 ILE CA C 238 60.879 59.914 0.965 1 1 181 . 11 1 1 A 25 25 ILE CB C 238 41.165 40.561 0.604 1 1 185 . 11 1 1 A 25 25 ILE N N 238 122.597 124.911 -2.314 1 1 186 . 11 1 1 A 26 26 ILE H H 239 9.025 8.475 0.550 1 1 187 . 11 1 1 A 26 26 ILE HA H 239 4.778 5.237 -0.459 1 1 197 . 11 1 1 A 26 26 ILE C C 239 173.104 174.417 -1.313 1 1 198 . 11 1 1 A 26 26 ILE CA C 239 60.733 60.435 0.298 1 1 199 . 11 1 1 A 26 26 ILE CB C 239 38.237 41.156 -2.919 1 1 203 . 11 1 1 A 26 26 ILE N N 239 129.303 127.515 1.788 1 1 204 . 11 1 1 A 27 27 ASN H H 240 8.957 9.171 -0.214 1 1 205 . 11 1 1 A 27 27 ASN HA H 240 5.174 5.699 -0.525 1 1 208 . 11 1 1 A 27 27 ASN C C 240 172.948 173.405 -0.457 1 1 209 . 11 1 1 A 27 27 ASN CA C 240 52.055 52.307 -0.252 1 1 210 . 11 1 1 A 27 27 ASN CB C 240 40.530 43.190 -2.660 1 1 211 . 11 1 1 A 27 27 ASN N N 240 125.494 125.359 0.135 1 1 212 . 11 1 1 A 28 28 ASN H H 241 9.118 8.985 0.133 1 1 213 . 11 1 1 A 28 28 ASN HA H 241 5.106 5.423 -0.317 1 1 216 . 11 1 1 A 28 28 ASN C C 241 172.184 174.939 -2.755 1 1 217 . 11 1 1 A 28 28 ASN CA C 241 52.599 51.973 0.626 1 1 218 . 11 1 1 A 28 28 ASN CB C 241 38.296 42.250 -3.954 1 1 219 . 11 1 1 A 28 28 ASN N N 241 125.089 119.699 5.390 1 1 220 . 11 1 1 A 29 29 HIS H H 242 9.512 8.714 0.798 1 1 221 . 11 1 1 A 29 29 HIS HA H 242 4.384 4.753 -0.369 1 1 224 . 11 1 1 A 29 29 HIS C C 242 173.519 175.635 -2.116 1 1 225 . 11 1 1 A 29 29 HIS CA C 242 59.174 57.548 1.626 1 1 226 . 11 1 1 A 29 29 HIS CB C 242 28.022 32.255 -4.233 1 1 227 . 11 1 1 A 29 29 HIS N N 242 125.634 122.486 3.148 1 1 228 . 11 1 1 A 30 30 ASN H H 243 8.623 8.007 0.616 1 1 229 . 11 1 1 A 30 30 ASN HA H 243 4.148 4.827 -0.679 1 1 234 . 11 1 1 A 30 30 ASN C C 243 175.052 176.023 -0.971 1 1 235 . 11 1 1 A 30 30 ASN CA C 243 53.229 53.979 -0.750 1 1 236 . 11 1 1 A 30 30 ASN CB C 243 38.980 38.776 0.204 1 1 237 . 11 1 1 A 30 30 ASN N N 243 119.059 116.395 2.664 1 1 239 . 11 1 1 A 31 31 PHE H H 244 8.676 8.614 0.062 1 1 240 . 11 1 1 A 31 31 PHE HA H 244 4.686 4.995 -0.309 1 1 243 . 11 1 1 A 31 31 PHE C C 244 174.399 176.402 -2.003 1 1 244 . 11 1 1 A 31 31 PHE CA C 244 57.688 56.752 0.936 1 1 245 . 11 1 1 A 31 31 PHE CB C 244 39.026 40.187 -1.161 1 1 246 . 11 1 1 A 31 31 PHE N N 244 124.091 116.961 7.130 1 1 247 . 11 1 1 A 32 32 ALA H H 245 8.244 7.837 0.407 1 1 248 . 11 1 1 A 32 32 ALA HA H 245 3.869 3.729 0.140 1 1 252 . 11 1 1 A 32 32 ALA C C 245 180.452 179.143 1.309 1 1 253 . 11 1 1 A 32 32 ALA CA C 245 56.274 55.104 1.170 1 1 254 . 11 1 1 A 32 32 ALA CB C 245 18.181 18.872 -0.691 1 1 255 . 11 1 1 A 32 32 ALA N N 245 122.713 123.568 -0.855 1 1 256 . 11 1 1 A 33 33 LYS H H 246 8.964 7.871 1.093 1 1 257 . 11 1 1 A 33 33 LYS HA H 246 4.089 4.460 -0.371 1 1 266 . 11 1 1 A 33 33 LYS C C 246 177.441 178.148 -0.707 1 1 267 . 11 1 1 A 33 33 LYS CA C 246 58.632 56.219 2.413 1 1 268 . 11 1 1 A 33 33 LYS CB C 246 30.418 33.451 -3.033 1 1 272 . 11 1 1 A 33 33 LYS N N 246 116.888 115.262 1.626 1 1 273 . 11 1 1 A 34 34 ALA H H 247 7.088 8.223 -1.135 1 1 274 . 11 1 1 A 34 34 ALA HA H 247 3.752 4.211 -0.459 1 1 278 . 11 1 1 A 34 34 ALA C C 247 177.581 179.681 -2.100 1 1 279 . 11 1 1 A 34 34 ALA CA C 247 55.502 53.953 1.549 1 1 280 . 11 1 1 A 34 34 ALA CB C 247 18.099 18.546 -0.447 1 1 281 . 11 1 1 A 34 34 ALA N N 247 122.047 121.958 0.089 1 1 282 . 11 1 1 A 35 35 ARG H H 248 7.706 8.403 -0.697 1 1 283 . 11 1 1 A 35 35 ARG HA H 248 4.338 4.136 0.202 1 1 292 . 11 1 1 A 35 35 ARG C C 248 179.094 178.356 0.738 1 1 293 . 11 1 1 A 35 35 ARG CA C 248 56.283 58.939 -2.656 1 1 294 . 11 1 1 A 35 35 ARG CB C 248 30.668 29.864 0.804 1 1 297 . 11 1 1 A 35 35 ARG N N 248 112.008 118.511 -6.503 1 1 299 . 11 1 1 A 36 36 GLU H H 249 7.707 7.965 -0.258 1 1 300 . 11 1 1 A 36 36 GLU HA H 249 4.121 4.087 0.034 1 1 305 . 11 1 1 A 36 36 GLU C C 249 178.205 178.999 -0.794 1 1 306 . 11 1 1 A 36 36 GLU CA C 249 58.194 58.944 -0.750 1 1 307 . 11 1 1 A 36 36 GLU CB C 249 30.596 29.959 0.637 1 1 309 . 11 1 1 A 36 36 GLU N N 249 116.945 119.580 -2.635 1 1 310 . 11 1 1 A 37 37 LYS H H 250 7.954 8.356 -0.402 1 1 311 . 11 1 1 A 37 37 LYS HA H 250 4.381 4.183 0.198 1 1 320 . 11 1 1 A 37 37 LYS C C 250 176.772 176.769 0.003 1 1 321 . 11 1 1 A 37 37 LYS CA C 250 57.323 58.905 -1.582 1 1 322 . 11 1 1 A 37 37 LYS CB C 250 34.892 32.045 2.847 1 1 326 . 11 1 1 A 37 37 LYS N N 250 114.798 118.753 -3.955 1 1 327 . 11 1 1 A 38 38 VAL H H 251 8.298 7.952 0.346 1 1 328 . 11 1 1 A 38 38 VAL HA H 251 4.582 4.498 0.084 1 1 336 . 11 1 1 A 38 38 VAL C C 251 174.903 175.111 -0.208 1 1 337 . 11 1 1 A 38 38 VAL CA C 251 60.316 59.130 1.186 1 1 338 . 11 1 1 A 38 38 VAL CB C 251 32.374 31.856 0.518 1 1 341 . 11 1 1 A 38 38 VAL N N 251 120.907 116.008 4.899 1 1 342 . 11 1 1 A 40 40 LYS H H 253 8.588 8.913 -0.325 1 1 343 . 11 1 1 A 40 40 LYS HA H 253 4.275 4.237 0.038 1 1 352 . 11 1 1 A 40 40 LYS C C 253 176.447 177.403 -0.956 1 1 353 . 11 1 1 A 40 40 LYS CA C 253 58.550 58.382 0.168 1 1 354 . 11 1 1 A 40 40 LYS CB C 253 31.568 31.436 0.132 1 1 358 . 11 1 1 A 40 40 LYS N N 253 113.861 116.201 -2.340 1 1 359 . 11 1 1 A 41 41 LEU H H 254 7.948 7.904 0.044 1 1 360 . 11 1 1 A 41 41 LEU HA H 254 4.391 4.184 0.207 1 1 370 . 11 1 1 A 41 41 LEU C C 254 175.989 179.004 -3.015 1 1 371 . 11 1 1 A 41 41 LEU CA C 254 53.279 56.148 -2.869 1 1 372 . 11 1 1 A 41 41 LEU CB C 254 40.369 41.615 -1.246 1 1 376 . 11 1 1 A 41 41 LEU N N 254 118.998 119.994 -0.996 1 1 377 . 11 1 1 A 42 42 HIS H H 255 7.167 7.961 -0.794 1 1 378 . 11 1 1 A 42 42 HIS HA H 255 4.376 4.119 0.257 1 1 382 . 11 1 1 A 42 42 HIS C C 255 174.836 175.276 -0.440 1 1 383 . 11 1 1 A 42 42 HIS CA C 255 59.188 57.140 2.048 1 1 384 . 11 1 1 A 42 42 HIS CB C 255 30.311 29.015 1.296 1 1 386 . 11 1 1 A 42 42 HIS N N 255 116.251 118.430 -2.179 1 1 387 . 11 1 1 A 43 43 SER H H 256 7.735 7.345 0.390 1 1 388 . 11 1 1 A 43 43 SER HA H 256 4.490 4.336 0.154 1 1 391 . 11 1 1 A 43 43 SER C C 256 174.045 173.959 0.086 1 1 392 . 11 1 1 A 43 43 SER CA C 256 56.420 56.447 -0.027 1 1 393 . 11 1 1 A 43 43 SER CB C 256 64.093 62.717 1.376 1 1 394 . 11 1 1 A 43 43 SER N N 256 110.725 111.194 -0.469 1 1 395 . 11 1 1 A 44 44 ILE H H 257 7.403 7.711 -0.308 1 1 396 . 11 1 1 A 44 44 ILE HA H 257 3.806 4.629 -0.823 1 1 406 . 11 1 1 A 44 44 ILE C C 257 174.321 174.360 -0.039 1 1 407 . 11 1 1 A 44 44 ILE CA C 257 61.640 59.273 2.367 1 1 408 . 11 1 1 A 44 44 ILE CB C 257 38.324 39.451 -1.127 1 1 412 . 11 1 1 A 44 44 ILE N N 257 124.717 118.826 5.891 1 1 413 . 11 1 1 A 45 45 ARG H H 258 8.043 8.503 -0.460 1 1 414 . 11 1 1 A 45 45 ARG HA H 258 4.201 4.758 -0.557 1 1 421 . 11 1 1 A 45 45 ARG C C 258 177.535 176.333 1.202 1 1 422 . 11 1 1 A 45 45 ARG CA C 258 55.412 54.838 0.574 1 1 423 . 11 1 1 A 45 45 ARG CB C 258 31.546 31.823 -0.277 1 1 426 . 11 1 1 A 45 45 ARG N N 258 124.319 123.494 0.825 1 1 427 . 11 1 1 A 46 46 ASP H H 259 8.584 9.069 -0.485 1 1 428 . 11 1 1 A 46 46 ASP HA H 259 5.096 4.726 0.370 1 1 431 . 11 1 1 A 46 46 ASP C C 259 177.819 176.211 1.608 1 1 432 . 11 1 1 A 46 46 ASP CA C 259 55.248 56.656 -1.408 1 1 433 . 11 1 1 A 46 46 ASP CB C 259 39.614 40.268 -0.654 1 1 434 . 11 1 1 A 46 46 ASP N N 259 120.371 126.422 -6.051 1 1 435 . 11 1 1 A 47 47 ARG H H 260 8.632 7.673 0.959 1 1 442 . 11 1 1 A 47 47 ARG CA C 260 56.228 56.509 -0.281 1 1 443 . 11 1 1 A 47 47 ARG CB C 260 26.981 30.469 -3.488 1 1 445 . 11 1 1 A 47 47 ARG N N 260 123.120 120.820 2.300 1 1 447 . 11 1 1 A 51 51 HIS HA H 264 4.293 4.827 -0.534 1 1 451 . 11 1 1 A 51 51 HIS C C 264 178.002 176.467 1.535 1 1 452 . 11 1 1 A 51 51 HIS CA C 264 60.062 55.541 4.521 1 1 453 . 11 1 1 A 51 51 HIS CB C 264 29.109 31.011 -1.902 1 1 455 . 11 1 1 A 52 52 LEU H H 265 7.474 7.823 -0.349 1 1 456 . 11 1 1 A 52 52 LEU HA H 265 4.125 3.647 0.478 1 1 466 . 11 1 1 A 52 52 LEU C C 265 180.623 177.613 3.010 1 1 467 . 11 1 1 A 52 52 LEU CA C 265 56.921 57.595 -0.674 1 1 468 . 11 1 1 A 52 52 LEU CB C 265 40.572 41.440 -0.868 1 1 472 . 11 1 1 A 52 52 LEU N N 265 122.692 121.277 1.415 1 1 473 . 11 1 1 A 53 53 ASP H H 266 6.993 7.876 -0.883 1 1 474 . 11 1 1 A 53 53 ASP C C 266 176.536 177.499 -0.963 1 1 475 . 11 1 1 A 53 53 ASP CA C 266 56.718 55.584 1.134 1 1 476 . 11 1 1 A 53 53 ASP CB C 266 39.787 42.628 -2.841 1 1 477 . 11 1 1 A 53 53 ASP N N 266 122.192 118.180 4.012 1 1 478 . 11 1 1 A 54 54 ALA H H 267 8.217 8.186 0.031 1 1 479 . 11 1 1 A 54 54 ALA HA H 267 3.840 4.180 -0.340 1 1 483 . 11 1 1 A 54 54 ALA C C 267 180.507 179.162 1.345 1 1 484 . 11 1 1 A 54 54 ALA CA C 267 55.836 54.526 1.310 1 1 485 . 11 1 1 A 54 54 ALA CB C 267 17.386 18.544 -1.158 1 1 486 . 11 1 1 A 54 54 ALA N N 267 121.612 121.107 0.505 1 1 487 . 11 1 1 A 55 55 GLY H H 268 8.481 8.460 0.021 1 1 488 . 11 1 1 A 55 55 GLY C C 268 174.929 174.425 0.504 1 1 489 . 11 1 1 A 55 55 GLY CA C 268 46.546 45.537 1.009 1 1 490 . 11 1 1 A 55 55 GLY N N 268 107.453 106.022 1.431 1 1 491 . 11 1 1 A 56 56 ALA H H 269 7.759 7.871 -0.112 1 1 492 . 11 1 1 A 56 56 ALA HA H 269 4.190 4.454 -0.264 1 1 496 . 11 1 1 A 56 56 ALA C C 269 180.493 178.932 1.561 1 1 497 . 11 1 1 A 56 56 ALA CA C 269 55.311 53.562 1.749 1 1 498 . 11 1 1 A 56 56 ALA CB C 269 17.951 20.340 -2.389 1 1 499 . 11 1 1 A 56 56 ALA N N 269 125.518 120.878 4.640 1 1 500 . 11 1 1 A 57 57 LEU H H 270 8.224 8.069 0.155 1 1 501 . 11 1 1 A 57 57 LEU HA H 270 3.840 4.052 -0.212 1 1 506 . 11 1 1 A 57 57 LEU C C 270 177.499 179.193 -1.694 1 1 507 . 11 1 1 A 57 57 LEU CA C 270 58.315 57.904 0.411 1 1 508 . 11 1 1 A 57 57 LEU CB C 270 43.182 41.390 1.792 1 1 511 . 11 1 1 A 57 57 LEU N N 270 121.610 117.016 4.594 1 1 512 . 11 1 1 A 58 58 THR H H 271 7.976 7.913 0.063 1 1 513 . 11 1 1 A 58 58 THR HA H 271 4.432 4.093 0.339 1 1 518 . 11 1 1 A 58 58 THR C C 271 174.457 176.412 -1.955 1 1 519 . 11 1 1 A 58 58 THR CA C 271 68.788 66.638 2.150 1 1 520 . 11 1 1 A 58 58 THR CB C 271 67.557 68.831 -1.274 1 1 522 . 11 1 1 A 58 58 THR N N 271 115.528 116.027 -0.499 1 1 523 . 11 1 1 A 59 59 THR H H 272 8.085 8.395 -0.310 1 1 524 . 11 1 1 A 59 59 THR HA H 272 3.911 4.038 -0.127 1 1 529 . 11 1 1 A 59 59 THR C C 272 176.131 177.137 -1.006 1 1 530 . 11 1 1 A 59 59 THR CA C 272 65.908 65.281 0.627 1 1 531 . 11 1 1 A 59 59 THR CB C 272 69.045 68.898 0.147 1 1 533 . 11 1 1 A 59 59 THR N N 272 114.864 114.172 0.692 1 1 534 . 11 1 1 A 60 60 THR H H 273 7.875 7.930 -0.055 1 1 535 . 11 1 1 A 60 60 THR HA H 273 3.423 3.938 -0.515 1 1 540 . 11 1 1 A 60 60 THR C C 273 175.166 176.132 -0.966 1 1 541 . 11 1 1 A 60 60 THR CA C 273 67.291 66.532 0.759 1 1 542 . 11 1 1 A 60 60 THR CB C 273 68.824 68.540 0.284 1 1 544 . 11 1 1 A 60 60 THR N N 273 116.718 117.457 -0.739 1 1 545 . 11 1 1 A 61 61 PHE H H 274 8.219 7.799 0.420 1 1 546 . 11 1 1 A 61 61 PHE HA H 274 4.213 4.455 -0.242 1 1 552 . 11 1 1 A 61 61 PHE C C 274 178.034 178.296 -0.262 1 1 553 . 11 1 1 A 61 61 PHE CA C 274 63.308 61.396 1.912 1 1 554 . 11 1 1 A 61 61 PHE CB C 274 37.080 38.493 -1.413 1 1 558 . 11 1 1 A 61 61 PHE N N 274 114.721 118.293 -3.572 1 1 559 . 11 1 1 A 62 62 GLU H H 275 8.810 8.466 0.344 1 1 560 . 11 1 1 A 62 62 GLU HA H 275 4.416 4.140 0.276 1 1 565 . 11 1 1 A 62 62 GLU C C 275 181.232 179.448 1.784 1 1 566 . 11 1 1 A 62 62 GLU CA C 275 60.190 59.770 0.420 1 1 567 . 11 1 1 A 62 62 GLU CB C 275 28.990 28.803 0.187 1 1 569 . 11 1 1 A 62 62 GLU N N 275 123.787 121.255 2.532 1 1 570 . 11 1 1 A 63 63 GLU H H 276 7.698 8.962 -1.264 1 1 571 . 11 1 1 A 63 63 GLU HA H 276 3.871 4.190 -0.319 1 1 575 . 11 1 1 A 63 63 GLU C C 276 176.721 177.506 -0.785 1 1 576 . 11 1 1 A 63 63 GLU CA C 276 58.821 59.021 -0.200 1 1 577 . 11 1 1 A 63 63 GLU CB C 276 29.251 28.516 0.735 1 1 579 . 11 1 1 A 63 63 GLU N N 276 120.707 118.177 2.530 1 1 580 . 11 1 1 A 64 64 LEU H H 277 6.708 8.009 -1.301 1 1 581 . 11 1 1 A 64 64 LEU HA H 277 4.148 4.496 -0.348 1 1 589 . 11 1 1 A 64 64 LEU C C 277 174.571 176.212 -1.641 1 1 590 . 11 1 1 A 64 64 LEU CA C 277 54.060 55.147 -1.087 1 1 594 . 11 1 1 A 64 64 LEU N N 277 115.451 118.761 -3.310 1 1 595 . 11 1 1 A 65 65 HIS H H 278 7.388 8.064 -0.676 1 1 596 . 11 1 1 A 65 65 HIS HA H 278 4.259 4.242 0.017 1 1 599 . 11 1 1 A 65 65 HIS C C 278 174.571 173.773 0.798 1 1 600 . 11 1 1 A 65 65 HIS CA C 278 57.737 56.593 1.144 1 1 601 . 11 1 1 A 65 65 HIS CB C 278 26.020 27.220 -1.200 1 1 602 . 11 1 1 A 65 65 HIS N N 278 107.287 115.449 -8.162 1 1 603 . 11 1 1 A 66 66 PHE H H 279 8.554 8.127 0.427 1 1 604 . 11 1 1 A 66 66 PHE HA H 279 4.462 5.422 -0.960 1 1 610 . 11 1 1 A 66 66 PHE C C 279 174.258 174.499 -0.241 1 1 611 . 11 1 1 A 66 66 PHE CA C 279 58.032 56.691 1.341 1 1 612 . 11 1 1 A 66 66 PHE CB C 279 39.809 44.701 -4.892 1 1 616 . 11 1 1 A 66 66 PHE N N 279 117.992 117.063 0.929 1 1 617 . 11 1 1 A 67 67 GLU H H 280 8.403 8.581 -0.178 1 1 618 . 11 1 1 A 67 67 GLU HA H 280 4.631 5.288 -0.657 1 1 621 . 11 1 1 A 67 67 GLU C C 280 174.640 175.503 -0.863 1 1 622 . 11 1 1 A 67 67 GLU CA C 280 55.467 54.779 0.688 1 1 623 . 11 1 1 A 67 67 GLU CB C 280 30.671 32.670 -1.999 1 1 625 . 11 1 1 A 67 67 GLU N N 280 120.980 119.387 1.593 1 1 626 . 11 1 1 A 68 68 ILE H H 281 8.988 8.637 0.351 1 1 627 . 11 1 1 A 68 68 ILE HA H 281 4.491 4.543 -0.052 1 1 636 . 11 1 1 A 68 68 ILE C C 281 176.177 174.938 1.239 1 1 637 . 11 1 1 A 68 68 ILE CA C 281 59.688 59.551 0.137 1 1 638 . 11 1 1 A 68 68 ILE CB C 281 35.090 42.548 -7.458 1 1 642 . 11 1 1 A 68 68 ILE N N 281 127.994 122.380 5.614 1 1 643 . 11 1 1 A 69 69 LYS H H 282 8.559 8.450 0.109 1 1 644 . 11 1 1 A 69 69 LYS HA H 282 4.981 4.822 0.159 1 1 645 . 11 1 1 A 69 69 LYS CA C 282 50.465 52.678 -2.213 1 1 646 . 11 1 1 A 69 69 LYS CB C 282 32.762 33.556 -0.794 1 1 649 . 11 1 1 A 69 69 LYS N N 282 126.350 128.972 -2.622 1 1 650 . 11 1 1 A 70 70 PRO HA H 283 5.133 4.585 0.548 1 1 651 . 11 1 1 A 70 70 PRO C C 283 176.378 175.653 0.725 1 1 652 . 11 1 1 A 70 70 PRO CA C 283 62.027 62.883 -0.856 1 1 653 . 11 1 1 A 70 70 PRO CB C 283 32.856 31.737 1.119 1 1 655 . 11 1 1 A 71 71 HIS H H 284 8.967 8.500 0.467 1 1 656 . 11 1 1 A 71 71 HIS HA H 284 4.465 4.964 -0.499 1 1 660 . 11 1 1 A 71 71 HIS C C 284 172.714 174.752 -2.038 1 1 661 . 11 1 1 A 71 71 HIS CA C 284 55.994 54.903 1.091 1 1 662 . 11 1 1 A 71 71 HIS CB C 284 33.678 31.940 1.738 1 1 664 . 11 1 1 A 71 71 HIS N N 284 121.708 123.802 -2.094 1 1 665 . 11 1 1 A 72 72 ASP H H 285 8.625 8.635 -0.010 1 1 666 . 11 1 1 A 72 72 ASP HA H 285 5.695 4.947 0.748 1 1 669 . 11 1 1 A 72 72 ASP C C 285 175.881 175.922 -0.041 1 1 670 . 11 1 1 A 72 72 ASP CA C 285 53.201 51.764 1.437 1 1 671 . 11 1 1 A 72 72 ASP CB C 285 43.758 42.486 1.272 1 1 672 . 11 1 1 A 72 72 ASP N N 285 122.941 125.670 -2.729 1 1 673 . 11 1 1 A 73 73 ASP H H 286 9.212 9.042 0.170 1 1 674 . 11 1 1 A 73 73 ASP HA H 286 4.263 4.403 -0.140 1 1 676 . 11 1 1 A 73 73 ASP C C 286 174.368 175.432 -1.064 1 1 677 . 11 1 1 A 73 73 ASP CA C 286 56.488 55.077 1.411 1 1 678 . 11 1 1 A 73 73 ASP CB C 286 39.083 38.742 0.341 1 1 679 . 11 1 1 A 73 73 ASP N N 286 119.175 120.220 -1.045 1 1 680 . 11 1 1 A 74 74 CYS H H 287 8.750 7.646 1.104 1 1 681 . 11 1 1 A 74 74 CYS HA H 287 4.854 4.636 0.218 1 1 684 . 11 1 1 A 74 74 CYS C C 287 176.146 173.732 2.414 1 1 685 . 11 1 1 A 74 74 CYS CA C 287 58.552 57.893 0.659 1 1 686 . 11 1 1 A 74 74 CYS CB C 287 53.204 26.263 26.941 1 1 687 . 11 1 1 A 74 74 CYS N N 287 119.631 119.151 0.480 1 1 688 . 11 1 1 A 75 75 THR H H 288 8.535 7.959 0.576 1 1 689 . 11 1 1 A 75 75 THR HA H 288 4.163 4.255 -0.092 1 1 694 . 11 1 1 A 75 75 THR C C 288 174.663 175.817 -1.154 1 1 695 . 11 1 1 A 75 75 THR CA C 288 61.353 62.698 -1.345 1 1 696 . 11 1 1 A 75 75 THR CB C 288 70.100 69.566 0.534 1 1 698 . 11 1 1 A 75 75 THR N N 288 115.998 118.750 -2.752 1 1 699 . 11 1 1 A 76 76 VAL H H 289 8.083 8.678 -0.595 1 1 700 . 11 1 1 A 76 76 VAL HA H 289 3.414 3.854 -0.440 1 1 708 . 11 1 1 A 76 76 VAL C C 289 176.443 177.026 -0.583 1 1 709 . 11 1 1 A 76 76 VAL CA C 289 69.066 65.274 3.792 1 1 710 . 11 1 1 A 76 76 VAL CB C 289 30.361 31.429 -1.068 1 1 713 . 11 1 1 A 76 76 VAL N N 289 120.599 125.558 -4.959 1 1 714 . 11 1 1 A 77 77 GLU H H 290 9.095 8.184 0.911 1 1 715 . 11 1 1 A 77 77 GLU HA H 290 4.027 3.857 0.170 1 1 720 . 11 1 1 A 77 77 GLU C C 290 179.172 178.831 0.341 1 1 721 . 11 1 1 A 77 77 GLU CA C 290 59.831 59.170 0.661 1 1 722 . 11 1 1 A 77 77 GLU CB C 290 29.493 29.181 0.312 1 1 724 . 11 1 1 A 77 77 GLU N N 290 119.191 121.017 -1.826 1 1 725 . 11 1 1 A 78 78 GLN H H 291 7.523 7.986 -0.463 1 1 726 . 11 1 1 A 78 78 GLN HA H 291 4.079 4.152 -0.073 1 1 731 . 11 1 1 A 78 78 GLN C C 291 177.815 178.484 -0.669 1 1 732 . 11 1 1 A 78 78 GLN CA C 291 58.920 58.347 0.573 1 1 734 . 11 1 1 A 78 78 GLN N N 291 117.101 118.682 -1.581 1 1 735 . 11 1 1 A 79 79 ILE H H 292 8.368 7.982 0.386 1 1 736 . 11 1 1 A 79 79 ILE HA H 292 3.427 3.816 -0.389 1 1 746 . 11 1 1 A 79 79 ILE C C 292 177.133 177.932 -0.799 1 1 747 . 11 1 1 A 79 79 ILE CA C 292 67.132 64.958 2.174 1 1 748 . 11 1 1 A 79 79 ILE CB C 292 37.163 37.479 -0.316 1 1 752 . 11 1 1 A 79 79 ILE N N 292 120.006 120.231 -0.225 1 1 753 . 11 1 1 A 80 80 TYR H H 293 8.302 8.210 0.092 1 1 754 . 11 1 1 A 80 80 TYR HA H 293 4.179 4.431 -0.252 1 1 759 . 11 1 1 A 80 80 TYR C C 293 178.907 176.850 2.057 1 1 760 . 11 1 1 A 80 80 TYR CA C 293 61.737 60.743 0.994 1 1 761 . 11 1 1 A 80 80 TYR CB C 293 37.201 38.006 -0.805 1 1 764 . 11 1 1 A 80 80 TYR N N 293 116.291 120.135 -3.844 1 1 765 . 11 1 1 A 81 81 GLU H H 294 8.170 8.271 -0.101 1 1 766 . 11 1 1 A 81 81 GLU HA H 294 4.036 4.438 -0.402 1 1 771 . 11 1 1 A 81 81 GLU C C 294 178.414 176.959 1.455 1 1 772 . 11 1 1 A 81 81 GLU CA C 294 59.768 56.202 3.566 1 1 773 . 11 1 1 A 81 81 GLU CB C 294 29.489 30.130 -0.641 1 1 775 . 11 1 1 A 81 81 GLU N N 294 120.325 117.141 3.184 1 1 776 . 11 1 1 A 82 82 ILE H H 295 8.501 7.829 0.672 1 1 777 . 11 1 1 A 82 82 ILE HA H 295 3.675 4.034 -0.359 1 1 787 . 11 1 1 A 82 82 ILE C C 295 177.751 177.484 0.267 1 1 788 . 11 1 1 A 82 82 ILE CA C 295 65.288 62.594 2.694 1 1 789 . 11 1 1 A 82 82 ILE CB C 295 38.497 39.306 -0.809 1 1 793 . 11 1 1 A 82 82 ILE N N 295 120.434 117.902 2.532 1 1 794 . 11 1 1 A 83 83 LEU H H 296 8.508 7.693 0.815 1 1 795 . 11 1 1 A 83 83 LEU HA H 296 4.289 3.664 0.625 1 1 805 . 11 1 1 A 83 83 LEU C C 296 178.393 178.884 -0.491 1 1 806 . 11 1 1 A 83 83 LEU CA C 296 58.937 57.238 1.699 1 1 807 . 11 1 1 A 83 83 LEU CB C 296 39.626 41.593 -1.967 1 1 811 . 11 1 1 A 83 83 LEU N N 296 116.807 120.921 -4.114 1 1 812 . 11 1 1 A 84 84 LYS H H 297 8.048 7.998 0.050 1 1 813 . 11 1 1 A 84 84 LYS HA H 297 3.967 4.079 -0.112 1 1 820 . 11 1 1 A 84 84 LYS C C 297 177.773 178.446 -0.673 1 1 821 . 11 1 1 A 84 84 LYS CA C 297 58.890 58.714 0.176 1 1 822 . 11 1 1 A 84 84 LYS CB C 297 31.169 32.209 -1.040 1 1 826 . 11 1 1 A 84 84 LYS N N 297 118.687 118.522 0.165 1 1 827 . 11 1 1 A 85 85 ILE H H 298 7.694 7.797 -0.103 1 1 828 . 11 1 1 A 85 85 ILE HA H 298 3.456 3.671 -0.215 1 1 838 . 11 1 1 A 85 85 ILE C C 298 179.100 177.741 1.359 1 1 839 . 11 1 1 A 85 85 ILE CA C 298 65.307 65.281 0.026 1 1 840 . 11 1 1 A 85 85 ILE CB C 298 36.965 37.544 -0.579 1 1 844 . 11 1 1 A 85 85 ILE N N 298 118.157 120.724 -2.567 1 1 845 . 11 1 1 A 86 86 TYR H H 299 7.613 7.034 0.579 1 1 846 . 11 1 1 A 86 86 TYR HA H 299 4.103 4.522 -0.419 1 1 851 . 11 1 1 A 86 86 TYR C C 299 177.425 178.280 -0.855 1 1 852 . 11 1 1 A 86 86 TYR CA C 299 63.129 60.664 2.465 1 1 853 . 11 1 1 A 86 86 TYR CB C 299 38.745 37.703 1.042 1 1 856 . 11 1 1 A 86 86 TYR N N 299 115.499 120.077 -4.578 1 1 857 . 11 1 1 A 87 87 GLN H H 300 9.112 8.219 0.893 1 1 858 . 11 1 1 A 87 87 GLN HA H 300 3.977 4.201 -0.224 1 1 861 . 11 1 1 A 87 87 GLN C C 300 176.380 178.571 -2.191 1 1 862 . 11 1 1 A 87 87 GLN CA C 300 58.976 58.490 0.486 1 1 863 . 11 1 1 A 87 87 GLN CB C 300 28.819 28.635 0.184 1 1 865 . 11 1 1 A 87 87 GLN N N 300 125.039 120.897 4.142 1 1 866 . 11 1 1 A 88 88 LEU H H 301 7.536 8.220 -0.684 1 1 867 . 11 1 1 A 88 88 LEU HA H 301 4.309 4.084 0.225 1 1 877 . 11 1 1 A 88 88 LEU C C 301 177.129 179.826 -2.697 1 1 878 . 11 1 1 A 88 88 LEU CA C 301 55.142 57.864 -2.722 1 1 879 . 11 1 1 A 88 88 LEU CB C 301 41.809 41.050 0.759 1 1 883 . 11 1 1 A 88 88 LEU N N 301 115.623 119.744 -4.121 1 1 884 . 11 1 1 A 89 89 MET H H 302 7.025 8.404 -1.379 1 1 885 . 11 1 1 A 89 89 MET HA H 302 4.031 4.175 -0.144 1 1 893 . 11 1 1 A 89 89 MET C C 302 172.664 175.996 -3.332 1 1 894 . 11 1 1 A 89 89 MET CA C 302 55.513 59.072 -3.559 1 1 895 . 11 1 1 A 89 89 MET CB C 302 33.748 32.432 1.316 1 1 898 . 11 1 1 A 89 89 MET N N 302 120.789 118.940 1.849 1 1 899 . 11 1 1 A 90 90 ASP H H 303 8.056 7.900 0.156 1 1 900 . 11 1 1 A 90 90 ASP HA H 303 4.746 4.188 0.558 1 1 903 . 11 1 1 A 90 90 ASP C C 303 177.139 175.556 1.583 1 1 904 . 11 1 1 A 90 90 ASP CA C 303 54.411 55.199 -0.788 1 1 905 . 11 1 1 A 90 90 ASP CB C 303 40.987 39.337 1.650 1 1 906 . 11 1 1 A 90 90 ASP N N 303 117.873 119.361 -1.488 1 1 907 . 11 1 1 A 91 91 HIS H H 304 9.371 7.815 1.556 1 1 908 . 11 1 1 A 91 91 HIS HA H 304 4.657 4.575 0.082 1 1 912 . 11 1 1 A 91 91 HIS C C 304 177.332 174.147 3.185 1 1 913 . 11 1 1 A 91 91 HIS CA C 304 56.031 55.800 0.231 1 1 914 . 11 1 1 A 91 91 HIS CB C 304 31.150 31.073 0.077 1 1 916 . 11 1 1 A 91 91 HIS N N 304 126.666 115.985 10.681 1 1 917 . 11 1 1 A 92 92 SER H H 305 8.952 8.797 0.155 1 1 918 . 11 1 1 A 92 92 SER HA H 305 4.055 4.710 -0.655 1 1 921 . 11 1 1 A 92 92 SER CA C 305 63.687 57.486 6.201 1 1 922 . 11 1 1 A 92 92 SER CB C 305 62.694 65.492 -2.798 1 1 923 . 11 1 1 A 92 92 SER N N 305 118.610 115.827 2.783 1 1 924 . 11 1 1 A 93 93 ASN H H 306 8.745 8.901 -0.156 1 1 925 . 11 1 1 A 93 93 ASN HA H 306 4.803 4.365 0.438 1 1 928 . 11 1 1 A 93 93 ASN C C 306 173.428 175.449 -2.021 1 1 929 . 11 1 1 A 93 93 ASN CA C 306 53.018 54.504 -1.486 1 1 930 . 11 1 1 A 93 93 ASN CB C 306 38.033 36.697 1.336 1 1 931 . 11 1 1 A 93 93 ASN N N 306 116.257 124.653 -8.396 1 1 932 . 11 1 1 A 94 94 MET H H 307 7.942 8.371 -0.429 1 1 933 . 11 1 1 A 94 94 MET HA H 307 4.683 4.768 -0.085 1 1 939 . 11 1 1 A 94 94 MET C C 307 174.640 176.384 -1.744 1 1 940 . 11 1 1 A 94 94 MET CA C 307 53.564 55.027 -1.463 1 1 941 . 11 1 1 A 94 94 MET CB C 307 33.988 34.021 -0.033 1 1 944 . 11 1 1 A 94 94 MET N N 307 117.799 115.690 2.109 1 1 945 . 11 1 1 A 95 95 ASP H H 308 8.276 8.142 0.134 1 1 946 . 11 1 1 A 95 95 ASP HA H 308 5.172 4.538 0.634 1 1 949 . 11 1 1 A 95 95 ASP C C 308 176.264 177.269 -1.005 1 1 950 . 11 1 1 A 95 95 ASP CA C 308 55.617 54.554 1.063 1 1 951 . 11 1 1 A 95 95 ASP CB C 308 45.114 40.403 4.711 1 1 952 . 11 1 1 A 95 95 ASP N N 308 119.567 120.649 -1.082 1 1 953 . 11 1 1 A 96 96 CYS H H 309 8.215 7.874 0.341 1 1 954 . 11 1 1 A 96 96 CYS HA H 309 4.680 4.500 0.180 1 1 957 . 11 1 1 A 96 96 CYS C C 309 170.157 173.624 -3.467 1 1 958 . 11 1 1 A 96 96 CYS CA C 309 57.203 58.405 -1.202 1 1 959 . 11 1 1 A 96 96 CYS CB C 309 52.974 25.917 27.057 1 1 960 . 11 1 1 A 96 96 CYS N N 309 118.264 118.450 -0.186 1 1 961 . 11 1 1 A 97 97 PHE H H 310 8.108 8.071 0.037 1 1 962 . 11 1 1 A 97 97 PHE HA H 310 5.071 5.051 0.020 1 1 967 . 11 1 1 A 97 97 PHE C C 310 171.279 174.355 -3.076 1 1 968 . 11 1 1 A 97 97 PHE CA C 310 57.910 57.105 0.805 1 1 969 . 11 1 1 A 97 97 PHE CB C 310 44.724 43.121 1.603 1 1 972 . 11 1 1 A 97 97 PHE N N 310 125.767 120.888 4.879 1 1 973 . 11 1 1 A 98 98 ILE H H 311 7.647 8.463 -0.816 1 1 974 . 11 1 1 A 98 98 ILE HA H 311 4.581 4.598 -0.017 1 1 984 . 11 1 1 A 98 98 ILE C C 311 172.012 175.295 -3.283 1 1 985 . 11 1 1 A 98 98 ILE CA C 311 58.312 60.145 -1.833 1 1 986 . 11 1 1 A 98 98 ILE CB C 311 39.964 38.290 1.674 1 1 990 . 11 1 1 A 98 98 ILE N N 311 125.102 121.350 3.752 1 1 991 . 11 1 1 A 99 99 CYS H H 312 8.309 8.373 -0.064 1 1 992 . 11 1 1 A 99 99 CYS HA H 312 4.471 5.116 -0.645 1 1 993 . 11 1 1 A 99 99 CYS C C 312 171.965 173.122 -1.157 1 1 994 . 11 1 1 A 99 99 CYS CA C 312 56.347 57.350 -1.003 1 1 995 . 11 1 1 A 99 99 CYS CB C 312 51.093 28.756 22.337 1 1 996 . 11 1 1 A 99 99 CYS N N 312 124.548 124.240 0.308 1 1 997 . 11 1 1 A 100 100 CYS H H 313 9.116 8.379 0.737 1 1 998 . 11 1 1 A 100 100 CYS HA H 313 5.880 4.488 1.392 1 1 1001 . 11 1 1 A 100 100 CYS C C 313 173.635 174.082 -0.447 1 1 1002 . 11 1 1 A 100 100 CYS CA C 313 55.906 58.723 -2.817 1 1 1003 . 11 1 1 A 100 100 CYS CB C 313 52.685 28.685 24.000 1 1 1004 . 11 1 1 A 100 100 CYS N N 313 127.015 123.607 3.408 1 1 1005 . 11 1 1 A 101 101 ILE H H 314 8.896 8.500 0.396 1 1 1006 . 11 1 1 A 101 101 ILE HA H 314 4.737 4.710 0.027 1 1 1016 . 11 1 1 A 101 101 ILE C C 314 172.277 176.484 -4.207 1 1 1017 . 11 1 1 A 101 101 ILE CA C 314 60.937 59.492 1.445 1 1 1018 . 11 1 1 A 101 101 ILE CB C 314 40.848 40.940 -0.092 1 1 1022 . 11 1 1 A 101 101 ILE N N 314 121.994 126.780 -4.786 1 1 1023 . 11 1 1 A 102 102 LEU H H 315 8.951 8.370 0.581 1 1 1024 . 11 1 1 A 102 102 LEU HA H 315 5.285 4.123 1.162 1 1 1029 . 11 1 1 A 102 102 LEU C C 315 174.789 176.629 -1.840 1 1 1030 . 11 1 1 A 102 102 LEU CA C 315 52.489 56.623 -4.134 1 1 1031 . 11 1 1 A 102 102 LEU CB C 315 40.041 42.831 -2.790 1 1 1034 . 11 1 1 A 102 102 LEU N N 315 127.404 129.118 -1.714 1 1 1035 . 11 1 1 A 103 103 SER H H 316 9.096 8.044 1.052 1 1 1036 . 11 1 1 A 103 103 SER HA H 316 4.680 4.193 0.487 1 1 1039 . 11 1 1 A 103 103 SER C C 316 174.555 173.614 0.941 1 1 1040 . 11 1 1 A 103 103 SER CA C 316 56.403 58.953 -2.550 1 1 1041 . 11 1 1 A 103 103 SER CB C 316 63.224 60.854 2.370 1 1 1042 . 11 1 1 A 103 103 SER N N 316 113.273 115.702 -2.429 1 1 1043 . 11 1 1 A 104 104 HIS H H 317 7.515 7.813 -0.298 1 1 1044 . 11 1 1 A 104 104 HIS HA H 317 5.214 4.393 0.821 1 1 1048 . 11 1 1 A 104 104 HIS C C 317 175.667 175.965 -0.298 1 1 1049 . 11 1 1 A 104 104 HIS CA C 317 56.371 57.434 -1.063 1 1 1050 . 11 1 1 A 104 104 HIS CB C 317 34.676 29.049 5.627 1 1 1052 . 11 1 1 A 104 104 HIS N N 317 114.740 119.801 -5.061 1 1 1053 . 11 1 1 A 105 105 GLY H H 318 8.368 8.669 -0.301 1 1 1054 . 11 1 1 A 105 105 GLY C C 318 169.470 171.722 -2.252 1 1 1055 . 11 1 1 A 105 105 GLY CA C 318 45.558 44.885 0.673 1 1 1056 . 11 1 1 A 105 105 GLY N N 318 107.330 113.803 -6.473 1 1 1057 . 11 1 1 A 106 106 ASP H H 319 7.943 8.416 -0.473 1 1 1058 . 11 1 1 A 106 106 ASP HA H 319 4.622 5.188 -0.566 1 1 1061 . 11 1 1 A 106 106 ASP C C 319 175.179 174.526 0.653 1 1 1062 . 11 1 1 A 106 106 ASP CA C 319 53.188 53.100 0.088 1 1 1063 . 11 1 1 A 106 106 ASP CB C 319 43.555 44.285 -0.730 1 1 1064 . 11 1 1 A 106 106 ASP N N 319 116.893 119.737 -2.844 1 1 1065 . 11 1 1 A 107 107 LYS H H 320 9.376 8.511 0.865 1 1 1066 . 11 1 1 A 107 107 LYS HA H 320 3.956 4.437 -0.481 1 1 1075 . 11 1 1 A 107 107 LYS C C 320 176.864 177.083 -0.219 1 1 1076 . 11 1 1 A 107 107 LYS CA C 320 58.567 56.911 1.656 1 1 1077 . 11 1 1 A 107 107 LYS CB C 320 30.568 32.141 -1.573 1 1 1081 . 11 1 1 A 107 107 LYS N N 320 122.539 120.777 1.762 1 1 1082 . 11 1 1 A 108 108 GLY H H 321 9.025 8.809 0.216 1 1 1083 . 11 1 1 A 108 108 GLY C C 321 173.633 174.142 -0.509 1 1 1084 . 11 1 1 A 108 108 GLY CA C 321 45.491 44.879 0.612 1 1 1085 . 11 1 1 A 108 108 GLY N N 321 111.919 112.019 -0.100 1 1 1086 . 11 1 1 A 109 109 ILE H H 322 8.157 7.768 0.389 1 1 1087 . 11 1 1 A 109 109 ILE HA H 322 4.994 4.501 0.493 1 1 1097 . 11 1 1 A 109 109 ILE C C 322 174.524 174.695 -0.171 1 1 1098 . 11 1 1 A 109 109 ILE CA C 322 59.009 59.012 -0.003 1 1 1099 . 11 1 1 A 109 109 ILE CB C 322 43.375 40.085 3.290 1 1 1103 . 11 1 1 A 109 109 ILE N N 322 116.465 116.932 -0.467 1 1 1104 . 11 1 1 A 110 110 ILE H H 323 8.443 8.331 0.112 1 1 1105 . 11 1 1 A 110 110 ILE HA H 323 4.530 4.742 -0.212 1 1 1115 . 11 1 1 A 110 110 ILE C C 323 174.337 175.041 -0.704 1 1 1116 . 11 1 1 A 110 110 ILE CA C 323 58.547 58.726 -0.179 1 1 1117 . 11 1 1 A 110 110 ILE CB C 323 41.604 40.890 0.714 1 1 1121 . 11 1 1 A 110 110 ILE N N 323 116.661 123.162 -6.501 1 1 1122 . 11 1 1 A 111 111 TYR H H 324 8.584 8.439 0.145 1 1 1123 . 11 1 1 A 111 111 TYR HA H 324 5.557 4.697 0.860 1 1 1128 . 11 1 1 A 111 111 TYR C C 324 178.528 175.256 3.272 1 1 1129 . 11 1 1 A 111 111 TYR CA C 324 56.571 57.944 -1.373 1 1 1130 . 11 1 1 A 111 111 TYR CB C 324 39.984 39.928 0.056 1 1 1133 . 11 1 1 A 111 111 TYR N N 324 119.472 126.747 -7.275 1 1 1134 . 11 1 1 A 112 112 GLY H H 325 8.522 8.459 0.063 1 1 1135 . 11 1 1 A 112 112 GLY C C 325 174.755 173.623 1.132 1 1 1136 . 11 1 1 A 112 112 GLY CA C 325 43.145 46.371 -3.226 1 1 1137 . 11 1 1 A 112 112 GLY N N 325 107.078 107.718 -0.640 1 1 1138 . 11 1 1 A 113 113 THR H H 326 8.245 8.490 -0.245 1 1 1139 . 11 1 1 A 113 113 THR HA H 326 3.186 4.618 -1.432 1 1 1144 . 11 1 1 A 113 113 THR C C 326 173.264 175.915 -2.651 1 1 1145 . 11 1 1 A 113 113 THR CA C 326 64.857 63.526 1.331 1 1 1146 . 11 1 1 A 113 113 THR CB C 326 66.749 71.190 -4.441 1 1 1148 . 11 1 1 A 113 113 THR N N 326 113.146 120.489 -7.343 1 1 1149 . 11 1 1 A 114 114 ASP H H 327 8.801 8.356 0.445 1 1 1150 . 11 1 1 A 114 114 ASP HA H 327 4.099 4.703 -0.604 1 1 1153 . 11 1 1 A 114 114 ASP C C 327 176.262 176.681 -0.419 1 1 1154 . 11 1 1 A 114 114 ASP CA C 327 52.768 55.815 -3.047 1 1 1155 . 11 1 1 A 114 114 ASP CB C 327 39.312 41.774 -2.462 1 1 1156 . 11 1 1 A 114 114 ASP N N 327 112.026 120.965 -8.939 1 1 1157 . 11 1 1 A 115 115 GLY H H 328 8.462 8.030 0.432 1 1 1158 . 11 1 1 A 115 115 GLY HA2 H 328 4.010 3.988 0.022 1 1 1159 . 11 1 1 A 115 115 GLY HA3 H 328 4.010 3.995 0.015 1 1 1160 . 11 1 1 A 115 115 GLY C C 328 171.918 175.131 -3.213 1 1 1161 . 11 1 1 A 115 115 GLY CA C 328 45.463 47.084 -1.621 1 1 1162 . 11 1 1 A 115 115 GLY N N 328 107.749 106.694 1.055 1 1 1163 . 11 1 1 A 116 116 GLN H H 329 6.657 8.649 -1.992 1 1 1164 . 11 1 1 A 116 116 GLN HA H 329 4.441 4.403 0.038 1 1 1170 . 11 1 1 A 116 116 GLN C C 329 174.196 175.440 -1.244 1 1 1171 . 11 1 1 A 116 116 GLN CA C 329 55.204 55.981 -0.777 1 1 1172 . 11 1 1 A 116 116 GLN CB C 329 28.541 29.033 -0.492 1 1 1174 . 11 1 1 A 116 116 GLN N N 329 115.146 123.625 -8.479 1 1 1176 . 11 1 1 A 117 117 GLU H H 330 8.624 8.146 0.478 1 1 1177 . 11 1 1 A 117 117 GLU HA H 330 4.733 4.088 0.645 1 1 1178 . 11 1 1 A 117 117 GLU C C 330 175.357 175.687 -0.330 1 1 1179 . 11 1 1 A 117 117 GLU CA C 330 55.191 57.327 -2.136 1 1 1180 . 11 1 1 A 117 117 GLU CB C 330 32.586 28.202 4.384 1 1 1182 . 11 1 1 A 117 117 GLU N N 330 119.031 119.598 -0.567 1 1 1183 . 11 1 1 A 118 118 ALA H H 331 8.995 7.590 1.405 1 1 1184 . 11 1 1 A 118 118 ALA HA H 331 5.165 4.416 0.749 1 1 1188 . 11 1 1 A 118 118 ALA C C 331 173.650 176.146 -2.496 1 1 1189 . 11 1 1 A 118 118 ALA CA C 331 48.343 51.155 -2.812 1 1 1190 . 11 1 1 A 118 118 ALA CB C 331 20.353 18.735 1.618 1 1 1191 . 11 1 1 A 118 118 ALA N N 331 123.550 121.477 2.073 1 1 1192 . 11 1 1 A 119 119 PRO HA H 332 4.819 4.743 0.076 1 1 1193 . 11 1 1 A 119 119 PRO C C 332 177.819 177.871 -0.052 1 1 1194 . 11 1 1 A 119 119 PRO CA C 332 62.007 62.925 -0.918 1 1 1195 . 11 1 1 A 119 119 PRO CB C 332 32.081 32.159 -0.078 1 1 1197 . 11 1 1 A 120 120 ILE H H 333 8.574 8.990 -0.416 1 1 1198 . 11 1 1 A 120 120 ILE HA H 333 3.278 4.050 -0.772 1 1 1206 . 11 1 1 A 120 120 ILE C C 333 177.316 176.950 0.366 1 1 1207 . 11 1 1 A 120 120 ILE CA C 333 66.025 63.303 2.722 1 1 1208 . 11 1 1 A 120 120 ILE CB C 333 37.991 38.194 -0.203 1 1 1212 . 11 1 1 A 120 120 ILE N N 333 126.740 124.828 1.912 1 1 1213 . 11 1 1 A 121 121 TYR H H 334 9.192 7.895 1.297 1 1 1214 . 11 1 1 A 121 121 TYR HA H 334 3.942 4.233 -0.291 1 1 1219 . 11 1 1 A 121 121 TYR C C 334 177.847 178.628 -0.781 1 1 1220 . 11 1 1 A 121 121 TYR CA C 334 60.688 60.543 0.145 1 1 1221 . 11 1 1 A 121 121 TYR CB C 334 38.803 38.949 -0.146 1 1 1224 . 11 1 1 A 121 121 TYR N N 334 117.479 120.951 -3.472 1 1 1225 . 11 1 1 A 122 122 GLU H H 335 7.178 8.363 -1.185 1 1 1226 . 11 1 1 A 122 122 GLU HA H 335 3.751 4.057 -0.306 1 1 1228 . 11 1 1 A 122 122 GLU C C 335 176.427 179.070 -2.643 1 1 1229 . 11 1 1 A 122 122 GLU CA C 335 58.378 59.234 -0.856 1 1 1230 . 11 1 1 A 122 122 GLU CB C 335 29.477 29.105 0.372 1 1 1232 . 11 1 1 A 122 122 GLU N N 335 115.885 120.039 -4.154 1 1 1233 . 11 1 1 A 123 123 LEU H H 336 7.440 7.401 0.039 1 1 1234 . 11 1 1 A 123 123 LEU HA H 336 4.123 4.089 0.034 1 1 1244 . 11 1 1 A 123 123 LEU C C 336 177.925 178.165 -0.240 1 1 1245 . 11 1 1 A 123 123 LEU CA C 336 56.646 57.225 -0.579 1 1 1246 . 11 1 1 A 123 123 LEU CB C 336 40.661 42.257 -1.596 1 1 1250 . 11 1 1 A 123 123 LEU N N 336 115.934 119.997 -4.063 1 1 1251 . 11 1 1 A 124 124 THR H H 337 8.009 7.466 0.543 1 1 1252 . 11 1 1 A 124 124 THR HA H 337 3.597 4.281 -0.684 1 1 1257 . 11 1 1 A 124 124 THR C C 337 177.568 174.842 2.726 1 1 1258 . 11 1 1 A 124 124 THR CA C 337 64.110 62.396 1.714 1 1 1259 . 11 1 1 A 124 124 THR CB C 337 67.603 69.038 -1.435 1 1 1261 . 11 1 1 A 124 124 THR N N 337 107.827 110.404 -2.577 1 1 1262 . 11 1 1 A 125 125 SER H H 338 7.435 7.929 -0.494 1 1 1263 . 11 1 1 A 125 125 SER HA H 338 3.723 4.605 -0.882 1 1 1266 . 11 1 1 A 125 125 SER C C 338 174.040 174.689 -0.649 1 1 1267 . 11 1 1 A 125 125 SER CA C 338 60.514 57.225 3.289 1 1 1268 . 11 1 1 A 125 125 SER CB C 338 62.391 63.297 -0.906 1 1 1269 . 11 1 1 A 125 125 SER N N 338 112.670 116.665 -3.995 1 1 1270 . 11 1 1 A 126 126 GLN H H 339 7.071 7.497 -0.426 1 1 1271 . 11 1 1 A 126 126 GLN HA H 339 3.850 3.572 0.278 1 1 1276 . 11 1 1 A 126 126 GLN C C 339 173.915 174.903 -0.988 1 1 1277 . 11 1 1 A 126 126 GLN CA C 339 56.106 54.791 1.315 1 1 1278 . 11 1 1 A 126 126 GLN CB C 339 27.028 27.299 -0.271 1 1 1280 . 11 1 1 A 126 126 GLN N N 339 117.347 117.780 -0.433 1 1 1281 . 11 1 1 A 127 127 PHE H H 340 7.355 8.042 -0.687 1 1 1282 . 11 1 1 A 127 127 PHE HA H 340 4.515 4.029 0.486 1 1 1285 . 11 1 1 A 127 127 PHE C C 340 175.241 174.713 0.528 1 1 1286 . 11 1 1 A 127 127 PHE CA C 340 57.914 58.973 -1.059 1 1 1287 . 11 1 1 A 127 127 PHE CB C 340 38.496 35.718 2.778 1 1 1288 . 11 1 1 A 127 127 PHE N N 340 110.412 113.792 -3.380 1 1 1289 . 11 1 1 A 128 128 THR H H 341 6.785 7.810 -1.025 1 1 1290 . 11 1 1 A 128 128 THR HA H 341 4.294 4.149 0.145 1 1 1295 . 11 1 1 A 128 128 THR C C 341 174.727 176.605 -1.878 1 1 1296 . 11 1 1 A 128 128 THR CA C 341 62.016 64.069 -2.053 1 1 1297 . 11 1 1 A 128 128 THR CB C 341 69.757 69.127 0.630 1 1 1299 . 11 1 1 A 128 128 THR N N 341 107.455 113.303 -5.848 1 1 1300 . 11 1 1 A 129 129 GLY H H 342 10.506 8.958 1.548 1 1 1301 . 11 1 1 A 129 129 GLY HA2 H 342 3.841 3.820 0.021 1 1 1302 . 11 1 1 A 129 129 GLY HA3 H 342 3.648 3.841 -0.193 1 1 1303 . 11 1 1 A 129 129 GLY C C 342 175.631 175.493 0.138 1 1 1304 . 11 1 1 A 129 129 GLY CA C 342 47.056 47.461 -0.405 1 1 1305 . 11 1 1 A 129 129 GLY N N 342 111.023 113.259 -2.236 1 1 1306 . 11 1 1 A 130 130 LEU H H 343 8.003 7.933 0.070 1 1 1307 . 11 1 1 A 130 130 LEU HA H 343 4.135 4.029 0.106 1 1 1317 . 11 1 1 A 130 130 LEU C C 343 178.627 179.312 -0.685 1 1 1318 . 11 1 1 A 130 130 LEU CA C 343 56.606 57.605 -0.999 1 1 1319 . 11 1 1 A 130 130 LEU CB C 343 42.399 41.662 0.737 1 1 1323 . 11 1 1 A 130 130 LEU N N 343 116.983 122.791 -5.808 1 1 1324 . 11 1 1 A 131 131 LYS H H 344 6.961 7.927 -0.966 1 1 1325 . 11 1 1 A 131 131 LYS HA H 344 4.001 4.308 -0.307 1 1 1333 . 11 1 1 A 131 131 LYS C C 344 176.224 177.019 -0.795 1 1 1334 . 11 1 1 A 131 131 LYS CA C 344 57.534 57.483 0.051 1 1 1335 . 11 1 1 A 131 131 LYS CB C 344 33.404 34.025 -0.621 1 1 1339 . 11 1 1 A 131 131 LYS N N 344 116.907 116.017 0.890 1 1 1340 . 11 1 1 A 132 132 CYS H H 345 8.564 8.030 0.534 1 1 1341 . 11 1 1 A 132 132 CYS HA H 345 4.930 4.786 0.144 1 1 1344 . 11 1 1 A 132 132 CYS C C 345 172.261 173.786 -1.525 1 1 1345 . 11 1 1 A 132 132 CYS CA C 345 56.566 56.397 0.169 1 1 1346 . 11 1 1 A 132 132 CYS CB C 345 49.011 30.229 18.782 1 1 1347 . 11 1 1 A 132 132 CYS N N 345 117.718 115.779 1.939 1 1 1348 . 11 1 1 A 133 133 PRO HA H 346 4.719 4.396 0.323 1 1 1354 . 11 1 1 A 133 133 PRO C C 346 179.500 177.990 1.510 1 1 1355 . 11 1 1 A 133 133 PRO CA C 346 62.681 65.942 -3.261 1 1 1356 . 11 1 1 A 133 133 PRO CB C 346 34.366 31.456 2.910 1 1 1359 . 11 1 1 A 134 134 SER H H 347 8.896 8.193 0.703 1 1 1360 . 11 1 1 A 134 134 SER HA H 347 4.415 4.171 0.244 1 1 1363 . 11 1 1 A 134 134 SER C C 347 174.434 174.669 -0.235 1 1 1364 . 11 1 1 A 134 134 SER CA C 347 60.509 58.925 1.584 1 1 1365 . 11 1 1 A 134 134 SER CB C 347 62.207 60.897 1.310 1 1 1366 . 11 1 1 A 134 134 SER N N 347 112.882 111.637 1.245 1 1 1367 . 11 1 1 A 135 135 LEU H H 348 7.549 8.321 -0.772 1 1 1368 . 11 1 1 A 135 135 LEU HA H 348 4.466 4.193 0.273 1 1 1378 . 11 1 1 A 135 135 LEU C C 348 176.458 177.217 -0.759 1 1 1379 . 11 1 1 A 135 135 LEU CA C 348 53.787 56.374 -2.587 1 1 1380 . 11 1 1 A 135 135 LEU CB C 348 44.189 40.201 3.988 1 1 1384 . 11 1 1 A 135 135 LEU N N 348 118.501 120.409 -1.908 1 1 1385 . 11 1 1 A 136 136 ALA H H 349 7.776 8.560 -0.784 1 1 1386 . 11 1 1 A 136 136 ALA HA H 349 4.056 4.312 -0.256 1 1 1390 . 11 1 1 A 136 136 ALA C C 349 178.620 179.169 -0.549 1 1 1391 . 11 1 1 A 136 136 ALA CA C 349 54.406 52.757 1.649 1 1 1392 . 11 1 1 A 136 136 ALA CB C 349 17.934 19.229 -1.295 1 1 1393 . 11 1 1 A 136 136 ALA N N 349 125.801 122.381 3.420 1 1 1394 . 11 1 1 A 137 137 GLY H H 350 9.371 8.344 1.027 1 1 1395 . 11 1 1 A 137 137 GLY C C 350 173.026 174.395 -1.369 1 1 1396 . 11 1 1 A 137 137 GLY CA C 350 45.132 45.715 -0.583 1 1 1397 . 11 1 1 A 137 137 GLY N N 350 111.181 106.989 4.192 1 1 1398 . 11 1 1 A 138 138 LYS H H 351 8.038 7.340 0.698 1 1 1399 . 11 1 1 A 138 138 LYS HA H 351 4.660 4.448 0.212 1 1 1400 . 11 1 1 A 138 138 LYS C C 351 172.078 175.122 -3.044 1 1 1401 . 11 1 1 A 138 138 LYS CA C 351 52.728 54.767 -2.039 1 1 1402 . 11 1 1 A 138 138 LYS CB C 351 32.069 31.620 0.449 1 1 1404 . 11 1 1 A 138 138 LYS N N 351 119.821 120.527 -0.706 1 1 1405 . 11 1 1 A 139 139 PRO HA H 352 4.300 4.736 -0.436 1 1 1412 . 11 1 1 A 139 139 PRO C C 352 173.954 176.218 -2.264 1 1 1413 . 11 1 1 A 139 139 PRO CA C 352 62.595 62.769 -0.174 1 1 1414 . 11 1 1 A 139 139 PRO CB C 352 31.399 32.567 -1.168 1 1 1417 . 11 1 1 A 140 140 LYS H H 353 8.188 8.608 -0.420 1 1 1418 . 11 1 1 A 140 140 LYS HA H 353 4.610 5.279 -0.669 1 1 1419 . 11 1 1 A 140 140 LYS C C 353 173.494 174.450 -0.956 1 1 1420 . 11 1 1 A 140 140 LYS CA C 353 55.344 54.720 0.624 1 1 1421 . 11 1 1 A 140 140 LYS CB C 353 32.527 36.761 -4.234 1 1 1423 . 11 1 1 A 140 140 LYS N N 353 123.304 117.289 6.015 1 1 1424 . 11 1 1 A 141 141 VAL H H 354 8.344 8.307 0.037 1 1 1425 . 11 1 1 A 141 141 VAL HA H 354 4.533 4.854 -0.321 1 1 1433 . 11 1 1 A 141 141 VAL C C 354 172.277 173.398 -1.121 1 1 1434 . 11 1 1 A 141 141 VAL CA C 354 60.596 59.481 1.115 1 1 1435 . 11 1 1 A 141 141 VAL CB C 354 33.580 35.555 -1.975 1 1 1438 . 11 1 1 A 141 141 VAL N N 354 122.550 118.986 3.564 1 1 1439 . 11 1 1 A 142 142 PHE H H 355 8.985 9.003 -0.018 1 1 1440 . 11 1 1 A 142 142 PHE HA H 355 5.436 5.042 0.394 1 1 1441 . 11 1 1 A 142 142 PHE C C 355 173.666 172.956 0.710 1 1 1442 . 11 1 1 A 142 142 PHE CA C 355 54.968 56.493 -1.525 1 1 1443 . 11 1 1 A 142 142 PHE CB C 355 42.877 43.301 -0.424 1 1 1444 . 11 1 1 A 142 142 PHE N N 355 123.850 129.115 -5.265 1 1 1445 . 11 1 1 A 143 143 PHE H H 356 8.584 8.377 0.207 1 1 1446 . 11 1 1 A 143 143 PHE HA H 356 5.934 5.035 0.899 1 1 1449 . 11 1 1 A 143 143 PHE C C 356 174.526 174.876 -0.350 1 1 1450 . 11 1 1 A 143 143 PHE CA C 356 55.909 56.487 -0.578 1 1 1451 . 11 1 1 A 143 143 PHE CB C 356 39.923 41.191 -1.268 1 1 1454 . 11 1 1 A 143 143 PHE N N 356 119.801 123.969 -4.168 1 1 1455 . 11 1 1 A 144 144 ILE H H 357 9.020 8.837 0.183 1 1 1456 . 11 1 1 A 144 144 ILE HA H 357 5.040 4.889 0.151 1 1 1466 . 11 1 1 A 144 144 ILE C C 357 173.323 175.547 -2.224 1 1 1467 . 11 1 1 A 144 144 ILE CA C 357 59.479 60.550 -1.071 1 1 1468 . 11 1 1 A 144 144 ILE CB C 357 40.898 38.536 2.362 1 1 1472 . 11 1 1 A 144 144 ILE N N 357 121.194 124.753 -3.559 1 1 1473 . 11 1 1 A 145 145 GLN H H 358 8.856 9.166 -0.310 1 1 1474 . 11 1 1 A 145 145 GLN HA H 358 4.670 5.118 -0.448 1 1 1475 . 11 1 1 A 145 145 GLN C C 358 171.591 174.334 -2.743 1 1 1476 . 11 1 1 A 145 145 GLN CA C 358 53.648 54.096 -0.448 1 1 1477 . 11 1 1 A 145 145 GLN CB C 358 30.373 32.112 -1.739 1 1 1479 . 11 1 1 A 145 145 GLN N N 358 128.880 123.987 4.893 1 1 1480 . 11 1 1 A 146 146 ALA H H 359 8.418 8.691 -0.273 1 1 1481 . 11 1 1 A 146 146 ALA HA H 359 5.247 4.843 0.404 1 1 1485 . 11 1 1 A 146 146 ALA C C 359 175.319 177.136 -1.817 1 1 1486 . 11 1 1 A 146 146 ALA CA C 359 50.243 51.372 -1.129 1 1 1487 . 11 1 1 A 146 146 ALA CB C 359 18.786 20.802 -2.016 1 1 1488 . 11 1 1 A 146 146 ALA N N 359 128.349 123.501 4.848 1 1 1489 . 11 1 1 A 147 147 ALA H H 360 8.161 8.611 -0.450 1 1 1490 . 11 1 1 A 147 147 ALA HA H 360 4.343 4.397 -0.054 1 1 1494 . 11 1 1 A 147 147 ALA C C 360 177.238 177.582 -0.344 1 1 1495 . 11 1 1 A 147 147 ALA CA C 360 52.078 52.215 -0.137 1 1 1496 . 11 1 1 A 147 147 ALA CB C 360 20.003 20.218 -0.215 1 1 1497 . 11 1 1 A 147 147 ALA N N 360 123.005 125.709 -2.704 1 1 1498 . 11 1 1 A 148 148 GLN H H 361 8.461 7.633 0.828 1 1 1499 . 11 1 1 A 148 148 GLN HA H 361 4.663 4.153 0.510 1 1 1504 . 11 1 1 A 148 148 GLN C C 361 176.333 176.695 -0.362 1 1 1505 . 11 1 1 A 148 148 GLN CA C 361 55.760 57.867 -2.107 1 1 1506 . 11 1 1 A 148 148 GLN CB C 361 29.937 28.508 1.429 1 1 1508 . 11 1 1 A 148 148 GLN N N 361 120.296 118.221 2.075 1 1 1509 . 11 1 1 A 149 149 GLY H H 362 8.631 8.454 0.177 1 1 1510 . 11 1 1 A 149 149 GLY HA2 H 362 3.858 4.006 -0.148 1 1 1511 . 11 1 1 A 149 149 GLY HA3 H 362 3.858 4.020 -0.162 1 1 1512 . 11 1 1 A 149 149 GLY C C 362 172.022 174.234 -2.212 1 1 1513 . 11 1 1 A 149 149 GLY CA C 362 44.969 45.409 -0.440 1 1 1514 . 11 1 1 A 149 149 GLY N N 362 109.782 112.460 -2.678 1 1 1515 . 11 1 1 A 150 150 ASP H H 363 7.566 7.996 -0.430 1 1 1516 . 11 1 1 A 150 150 ASP HA H 363 4.661 4.632 0.029 1 1 1519 . 11 1 1 A 150 150 ASP C C 363 174.446 177.036 -2.590 1 1 1520 . 11 1 1 A 150 150 ASP CA C 363 57.776 53.864 3.912 1 1 1521 . 11 1 1 A 150 150 ASP CB C 363 39.423 41.924 -2.501 1 1 1522 . 11 1 1 A 150 150 ASP N N 363 118.182 122.311 -4.129 1 1 1523 . 11 1 1 A 153 153 GLN HA H 366 4.665 3.966 0.699 1 1 1530 . 11 1 1 A 153 153 GLN CA C 366 53.779 57.123 -3.344 1 1 1531 . 11 1 1 A 153 153 GLN CB C 366 28.988 28.159 0.829 1 1 1534 . 11 1 1 A 155 155 GLY HA2 H 368 3.899 4.075 -0.176 1 1 1535 . 11 1 1 A 155 155 GLY HA3 H 368 3.899 4.079 -0.180 1 1 1536 . 11 1 1 A 155 155 GLY CA C 368 45.013 44.246 0.767 1 1 1537 . 11 1 1 A 156 156 ILE H H 369 7.871 8.290 -0.419 1 1 1538 . 11 1 1 A 156 156 ILE HA H 369 4.428 4.662 -0.234 1 1 1548 . 11 1 1 A 156 156 ILE C C 369 174.196 176.263 -2.067 1 1 1549 . 11 1 1 A 156 156 ILE CA C 369 58.676 58.101 0.575 1 1 1550 . 11 1 1 A 156 156 ILE CB C 369 38.516 38.872 -0.356 1 1 1554 . 11 1 1 A 156 156 ILE N N 369 120.958 117.492 3.466 1 1 1555 . 11 1 1 A 157 157 PRO HA H 370 4.386 4.501 -0.115 1 1 1562 . 11 1 1 A 157 157 PRO C C 370 176.218 176.238 -0.020 1 1 1563 . 11 1 1 A 157 157 PRO CA C 370 63.431 63.963 -0.532 1 1 1564 . 11 1 1 A 157 157 PRO CB C 370 31.913 32.030 -0.117 1 1 1567 . 11 1 1 A 158 158 VAL H H 371 8.137 7.597 0.540 1 1 1568 . 11 1 1 A 158 158 VAL HA H 371 4.089 4.107 -0.018 1 1 1576 . 11 1 1 A 158 158 VAL C C 371 175.904 175.402 0.502 1 1 1577 . 11 1 1 A 158 158 VAL CA C 371 62.121 61.164 0.957 1 1 1578 . 11 1 1 A 158 158 VAL CB C 371 32.958 32.932 0.026 1 1 1581 . 11 1 1 A 158 158 VAL N N 371 119.640 116.113 3.527 1 1 1582 . 11 1 1 A 159 159 GLU H H 372 8.523 8.704 -0.181 1 1 1583 . 11 1 1 A 159 159 GLU HA H 372 4.345 4.899 -0.554 1 1 1588 . 11 1 1 A 159 159 GLU C C 372 176.068 175.512 0.556 1 1 1589 . 11 1 1 A 159 159 GLU CA C 372 56.474 54.667 1.807 1 1 1590 . 11 1 1 A 159 159 GLU CB C 372 30.078 33.514 -3.436 1 1 1592 . 11 1 1 A 159 159 GLU N N 372 123.765 121.368 2.397 1 1 1593 . 11 1 1 A 160 160 THR H H 373 8.096 8.823 -0.727 1 1 1594 . 11 1 1 A 160 160 THR HA H 373 4.311 4.545 -0.234 1 1 1599 . 11 1 1 A 160 160 THR C C 373 173.701 173.987 -0.286 1 1 1600 . 11 1 1 A 160 160 THR CA C 373 61.845 61.218 0.627 1 1 1601 . 11 1 1 A 160 160 THR CB C 373 69.760 69.519 0.241 1 1 1603 . 11 1 1 A 160 160 THR N N 373 114.143 115.992 -1.849 1 1 1604 . 11 1 1 A 161 161 ASP H H 374 8.387 8.923 -0.536 1 1 1605 . 11 1 1 A 161 161 ASP HA H 374 4.625 4.787 -0.162 1 1 1608 . 11 1 1 A 161 161 ASP C C 374 175.806 175.099 0.707 1 1 1609 . 11 1 1 A 161 161 ASP CA C 374 54.478 55.158 -0.680 1 1 1610 . 11 1 1 A 161 161 ASP CB C 374 41.096 42.422 -1.326 1 1 1611 . 11 1 1 A 161 161 ASP N N 374 122.070 124.405 -2.335 1 1 1612 . 11 1 1 A 162 162 SER H H 375 8.175 8.297 -0.122 1 1 1613 . 11 1 1 A 162 162 SER HA H 375 4.385 4.652 -0.267 1 1 1616 . 11 1 1 A 162 162 SER C C 375 174.169 173.223 0.946 1 1 1617 . 11 1 1 A 162 162 SER CA C 375 58.631 58.273 0.358 1 1 1618 . 11 1 1 A 162 162 SER CB C 375 63.814 62.423 1.391 1 1 1619 . 11 1 1 A 162 162 SER N N 375 115.346 115.057 0.289 1 1 1620 . 11 1 1 A 163 163 GLU H H 376 8.424 9.073 -0.649 1 1 1621 . 11 1 1 A 163 163 GLU HA H 376 4.263 4.818 -0.555 1 1 1626 . 11 1 1 A 163 163 GLU C C 376 175.959 176.318 -0.359 1 1 1627 . 11 1 1 A 163 163 GLU CA C 376 56.567 54.478 2.089 1 1 1628 . 11 1 1 A 163 163 GLU CB C 376 30.044 33.042 -2.998 1 1 1630 . 11 1 1 A 163 163 GLU N N 376 122.034 124.884 -2.850 1 1 1631 . 11 1 1 A 164 164 GLU H H 377 8.298 8.781 -0.483 1 1 1632 . 11 1 1 A 164 164 GLU HA H 377 4.224 4.392 -0.168 1 1 1637 . 11 1 1 A 164 164 GLU C C 377 175.816 177.871 -2.055 1 1 1638 . 11 1 1 A 164 164 GLU CA C 377 56.489 56.292 0.197 1 1 1639 . 11 1 1 A 164 164 GLU CB C 377 30.220 30.681 -0.461 1 1 1641 . 11 1 1 A 164 164 GLU N N 377 120.980 122.162 -1.182 1 1 1642 . 11 1 1 A 165 165 GLN H H 378 8.340 8.736 -0.396 1 1 1643 . 11 1 1 A 165 165 GLN HA H 378 4.563 4.032 0.531 1 1 1645 . 11 1 1 A 165 165 GLN C C 378 173.510 176.917 -3.407 1 1 1646 . 11 1 1 A 165 165 GLN CA C 378 53.530 60.792 -7.262 1 1 1647 . 11 1 1 A 165 165 GLN CB C 378 28.816 27.813 1.003 1 1 1649 . 11 1 1 A 165 165 GLN N N 378 121.693 121.009 0.684 1 1 1650 . 11 1 1 A 166 166 PRO HA H 379 4.381 4.723 -0.342 1 1 1657 . 11 1 1 A 166 166 PRO C C 379 176.081 176.002 0.079 1 1 1658 . 11 1 1 A 166 166 PRO CA C 379 63.260 62.421 0.839 1 1 1659 . 11 1 1 A 166 166 PRO CB C 379 32.010 29.129 2.881 1 1 1662 . 11 1 1 A 167 167 TYR H H 380 8.116 8.671 -0.555 1 1 1663 . 11 1 1 A 167 167 TYR HA H 380 4.513 4.669 -0.156 1 1 1668 . 11 1 1 A 167 167 TYR C C 380 174.992 174.958 0.034 1 1 1669 . 11 1 1 A 167 167 TYR CA C 380 57.699 57.611 0.088 1 1 1670 . 11 1 1 A 167 167 TYR CB C 380 38.344 39.869 -1.525 1 1 1673 . 11 1 1 A 167 167 TYR N N 380 119.531 119.688 -0.157 1 1 1674 . 11 1 1 A 168 168 LEU H H 381 7.953 8.036 -0.083 1 1 1675 . 11 1 1 A 168 168 LEU HA H 381 4.267 4.975 -0.708 1 1 1685 . 11 1 1 A 168 168 LEU C C 381 176.162 174.931 1.231 1 1 1686 . 11 1 1 A 168 168 LEU CA C 381 54.808 52.941 1.867 1 1 1687 . 11 1 1 A 168 168 LEU CB C 381 42.735 45.341 -2.606 1 1 1691 . 11 1 1 A 168 168 LEU N N 381 124.133 120.615 3.518 1 1 1692 . 11 1 1 A 169 169 GLU H H 382 8.190 8.872 -0.682 1 1 1693 . 11 1 1 A 169 169 GLU HA H 382 4.167 4.671 -0.504 1 1 1698 . 11 1 1 A 169 169 GLU C C 382 175.881 174.952 0.929 1 1 1699 . 11 1 1 A 169 169 GLU CA C 382 56.655 54.225 2.430 1 1 1700 . 11 1 1 A 169 169 GLU CB C 382 30.058 33.082 -3.024 1 1 1702 . 11 1 1 A 169 169 GLU N N 382 121.131 119.595 1.536 1 1 1703 . 11 1 1 A 170 170 MET H H 383 8.214 8.538 -0.324 1 1 1704 . 11 1 1 A 170 170 MET HA H 383 4.377 4.371 0.006 1 1 1709 . 11 1 1 A 170 170 MET C C 383 175.132 176.057 -0.925 1 1 1710 . 11 1 1 A 170 170 MET CA C 383 55.606 55.743 -0.137 1 1 1711 . 11 1 1 A 170 170 MET CB C 383 33.091 32.562 0.529 1 1 1713 . 11 1 1 A 170 170 MET N N 383 120.601 119.039 1.562 1 1 1714 . 11 1 1 A 171 171 ASP H H 384 8.358 8.963 -0.605 1 1 1715 . 11 1 1 A 171 171 ASP HA H 384 4.575 5.187 -0.612 1 1 1718 . 11 1 1 A 171 171 ASP C C 384 175.966 175.904 0.062 1 1 1719 . 11 1 1 A 171 171 ASP CA C 384 53.741 52.856 0.885 1 1 1720 . 11 1 1 A 171 171 ASP CB C 384 40.571 44.143 -3.572 1 1 1721 . 11 1 1 A 171 171 ASP N N 384 121.104 124.415 -3.311 1 1 1722 . 11 1 1 A 172 172 LEU H H 385 8.285 8.590 -0.305 1 1 1723 . 11 1 1 A 172 172 LEU HA H 385 4.305 4.392 -0.087 1 1 1733 . 11 1 1 A 172 172 LEU C C 385 177.140 177.129 0.011 1 1 1734 . 11 1 1 A 172 172 LEU CA C 385 55.122 55.079 0.043 1 1 1735 . 11 1 1 A 172 172 LEU CB C 385 41.851 42.688 -0.837 1 1 1739 . 11 1 1 A 172 172 LEU N N 385 123.115 121.931 1.184 1 1 1740 . 11 1 1 A 173 173 SER H H 386 8.290 8.908 -0.618 1 1 1741 . 11 1 1 A 173 173 SER N N 386 115.101 116.023 -0.922 1 1 1742 . 11 1 1 A 176 176 GLN HA H 389 4.383 4.102 0.281 1 1 1749 . 11 1 1 A 176 176 GLN CA C 389 55.991 57.465 -1.474 1 1 1750 . 11 1 1 A 176 176 GLN CB C 389 29.280 28.387 0.893 1 1 1753 . 11 1 1 A 177 177 THR H H 390 6.958 7.955 -0.997 1 1 1754 . 11 1 1 A 177 177 THR HA H 390 3.970 5.071 -1.101 1 1 1759 . 11 1 1 A 177 177 THR C C 390 172.764 173.071 -0.307 1 1 1760 . 11 1 1 A 177 177 THR CA C 390 62.221 59.945 2.276 1 1 1761 . 11 1 1 A 177 177 THR CB C 390 69.382 72.352 -2.970 1 1 1763 . 11 1 1 A 177 177 THR N N 390 115.463 109.082 6.381 1 1 1764 . 11 1 1 A 178 178 ARG H H 391 7.873 8.647 -0.774 1 1 1765 . 11 1 1 A 178 178 ARG C C 391 174.982 174.493 0.489 1 1 1766 . 11 1 1 A 178 178 ARG CA C 391 55.266 55.023 0.243 1 1 1767 . 11 1 1 A 178 178 ARG CB C 391 31.052 32.074 -1.022 1 1 1769 . 11 1 1 A 178 178 ARG N N 391 122.116 120.615 1.501 1 1 1770 . 11 1 1 A 179 179 TYR H H 392 8.812 8.888 -0.076 1 1 1771 . 11 1 1 A 179 179 TYR HA H 392 4.621 5.212 -0.591 1 1 1776 . 11 1 1 A 179 179 TYR C C 392 174.337 173.858 0.479 1 1 1777 . 11 1 1 A 179 179 TYR CA C 392 57.444 56.467 0.977 1 1 1778 . 11 1 1 A 179 179 TYR CB C 392 40.623 40.458 0.165 1 1 1781 . 11 1 1 A 179 179 TYR N N 392 118.296 124.077 -5.781 1 1 1782 . 11 1 1 A 180 180 ILE H H 393 7.254 8.881 -1.627 1 1 1783 . 11 1 1 A 180 180 ILE HA H 393 4.610 4.375 0.235 1 1 1793 . 11 1 1 A 180 180 ILE C C 393 171.654 174.097 -2.443 1 1 1794 . 11 1 1 A 180 180 ILE CA C 393 56.916 57.266 -0.350 1 1 1795 . 11 1 1 A 180 180 ILE CB C 393 39.736 40.726 -0.990 1 1 1799 . 11 1 1 A 180 180 ILE N N 393 108.609 128.868 -20.259 1 1 1800 . 11 1 1 A 181 181 PRO HA H 394 4.709 4.717 -0.008 1 1 1807 . 11 1 1 A 181 181 PRO C C 394 173.910 176.420 -2.510 1 1 1808 . 11 1 1 A 181 181 PRO CA C 394 62.144 62.267 -0.123 1 1 1809 . 11 1 1 A 181 181 PRO CB C 394 32.527 32.567 -0.040 1 1 1812 . 11 1 1 A 182 182 ASP H H 395 8.296 8.860 -0.564 1 1 1813 . 11 1 1 A 182 182 ASP HA H 395 4.665 4.928 -0.263 1 1 1816 . 11 1 1 A 182 182 ASP C C 395 175.120 174.732 0.388 1 1 1817 . 11 1 1 A 182 182 ASP CA C 395 52.455 53.785 -1.330 1 1 1818 . 11 1 1 A 182 182 ASP CB C 395 38.742 41.614 -2.872 1 1 1819 . 11 1 1 A 182 182 ASP N N 395 120.042 120.306 -0.264 1 1 1820 . 11 1 1 A 183 183 GLU H H 396 7.651 7.802 -0.151 1 1 1821 . 11 1 1 A 183 183 GLU HA H 396 4.492 4.844 -0.352 1 1 1826 . 11 1 1 A 183 183 GLU C C 396 173.702 175.182 -1.480 1 1 1827 . 11 1 1 A 183 183 GLU CA C 396 54.897 54.680 0.217 1 1 1828 . 11 1 1 A 183 183 GLU CB C 396 32.509 32.677 -0.168 1 1 1830 . 11 1 1 A 183 183 GLU N N 396 117.840 117.349 0.491 1 1 1831 . 11 1 1 A 184 184 ALA H H 397 8.365 8.626 -0.261 1 1 1832 . 11 1 1 A 184 184 ALA HA H 397 4.394 4.999 -0.605 1 1 1836 . 11 1 1 A 184 184 ALA C C 397 175.829 177.251 -1.422 1 1 1837 . 11 1 1 A 184 184 ALA CA C 397 52.770 50.861 1.909 1 1 1838 . 11 1 1 A 184 184 ALA CB C 397 20.682 19.655 1.027 1 1 1839 . 11 1 1 A 184 184 ALA N N 397 121.613 124.343 -2.730 1 1 1840 . 11 1 1 A 185 185 ASP H H 398 7.245 8.347 -1.102 1 1 1841 . 11 1 1 A 185 185 ASP HA H 398 4.092 4.939 -0.847 1 1 1844 . 11 1 1 A 185 185 ASP C C 398 172.730 175.466 -2.736 1 1 1845 . 11 1 1 A 185 185 ASP CA C 398 56.144 53.346 2.798 1 1 1846 . 11 1 1 A 185 185 ASP CB C 398 39.841 42.029 -2.188 1 1 1847 . 11 1 1 A 185 185 ASP N N 398 105.829 117.522 -11.693 1 1 1848 . 11 1 1 A 186 186 PHE H H 399 8.467 7.662 0.805 1 1 1849 . 11 1 1 A 186 186 PHE HA H 399 5.486 4.854 0.632 1 1 1852 . 11 1 1 A 186 186 PHE C C 399 176.218 172.951 3.267 1 1 1853 . 11 1 1 A 186 186 PHE CA C 399 57.959 57.561 0.398 1 1 1854 . 11 1 1 A 186 186 PHE CB C 399 44.529 42.600 1.929 1 1 1855 . 11 1 1 A 186 186 PHE N N 399 116.177 119.665 -3.488 1 1 1856 . 11 1 1 A 187 187 LEU H H 400 8.964 8.305 0.659 1 1 1857 . 11 1 1 A 187 187 LEU HA H 400 4.963 4.391 0.572 1 1 1867 . 11 1 1 A 187 187 LEU C C 400 171.747 176.366 -4.619 1 1 1868 . 11 1 1 A 187 187 LEU CA C 400 55.422 53.941 1.481 1 1 1869 . 11 1 1 A 187 187 LEU CB C 400 45.641 41.926 3.715 1 1 1873 . 11 1 1 A 187 187 LEU N N 400 121.383 128.462 -7.079 1 1 1874 . 11 1 1 A 188 188 LEU H H 401 9.312 8.662 0.650 1 1 1875 . 11 1 1 A 188 188 LEU HA H 401 5.580 4.218 1.362 1 1 1885 . 11 1 1 A 188 188 LEU C C 401 173.853 177.132 -3.279 1 1 1886 . 11 1 1 A 188 188 LEU CA C 401 53.421 55.075 -1.654 1 1 1887 . 11 1 1 A 188 188 LEU CB C 401 45.403 43.356 2.047 1 1 1891 . 11 1 1 A 188 188 LEU N N 401 128.151 129.467 -1.316 1 1 1892 . 11 1 1 A 189 189 GLY H H 402 9.415 8.054 1.361 1 1 1893 . 11 1 1 A 189 189 GLY HA2 H 402 4.670 4.078 0.592 1 1 1894 . 11 1 1 A 189 189 GLY HA3 H 402 3.663 4.203 -0.540 1 1 1895 . 11 1 1 A 189 189 GLY C C 402 171.014 175.189 -4.175 1 1 1896 . 11 1 1 A 189 189 GLY CA C 402 44.967 46.990 -2.023 1 1 1897 . 11 1 1 A 189 189 GLY N N 402 115.881 108.838 7.043 1 1 1898 . 11 1 1 A 190 190 MET H H 403 8.118 8.137 -0.019 1 1 1899 . 11 1 1 A 190 190 MET HA H 403 5.314 4.596 0.718 1 1 1907 . 11 1 1 A 190 190 MET C C 403 173.744 174.948 -1.204 1 1 1908 . 11 1 1 A 190 190 MET CA C 403 53.284 56.370 -3.086 1 1 1909 . 11 1 1 A 190 190 MET CB C 403 36.614 33.528 3.086 1 1 1912 . 11 1 1 A 190 190 MET N N 403 122.165 118.457 3.708 1 1 1934 . 11 1 1 A 203 203 ALA H H 416 8.076 8.331 -0.255 1 1 1935 . 11 1 1 A 203 203 ALA HA H 416 4.228 4.369 -0.141 1 1 1939 . 11 1 1 A 203 203 ALA C C 416 176.895 176.220 0.675 1 1 1940 . 11 1 1 A 203 203 ALA CA C 416 52.743 51.422 1.321 1 1 1941 . 11 1 1 A 203 203 ALA CB C 416 18.723 17.493 1.230 1 1 1942 . 11 1 1 A 203 203 ALA N N 416 119.053 125.264 -6.211 1 1 1943 . 11 1 1 A 204 204 GLU H H 417 7.784 8.028 -0.244 1 1 1944 . 11 1 1 A 204 204 GLU HA H 417 4.350 4.912 -0.562 1 1 1949 . 11 1 1 A 204 204 GLU C C 417 175.678 175.303 0.375 1 1 1950 . 11 1 1 A 204 204 GLU CA C 417 55.650 55.374 0.276 1 1 1951 . 11 1 1 A 204 204 GLU CB C 417 30.312 31.013 -0.701 1 1 1953 . 11 1 1 A 204 204 GLU N N 417 116.458 120.622 -4.164 1 1 1954 . 11 1 1 A 205 205 GLY H H 418 7.910 8.672 -0.762 1 1 1955 . 11 1 1 A 205 205 GLY CA C 418 43.804 44.823 -1.019 1 1 1956 . 11 1 1 A 205 205 GLY N N 418 108.024 111.233 -3.209 1 1 1957 . 11 1 1 A 206 206 THR H H 419 8.364 8.987 -0.623 1 1 1958 . 11 1 1 A 206 206 THR HA H 419 4.316 5.014 -0.698 1 1 1963 . 11 1 1 A 206 206 THR CA C 419 64.682 59.041 5.641 1 1 1964 . 11 1 1 A 206 206 THR CB C 419 69.304 71.400 -2.096 1 1 1966 . 11 1 1 A 206 206 THR N N 419 115.417 118.195 -2.778 1 1 1967 . 11 1 1 A 207 207 TRP HA H 420 4.116 5.383 -1.267 1 1 1976 . 11 1 1 A 207 207 TRP CA C 420 61.178 55.544 5.634 1 1 1977 . 11 1 1 A 207 207 TRP CB C 420 28.670 33.378 -4.708 1 1 1984 . 11 1 1 A 209 209 ILE H H 422 6.744 8.759 -2.015 1 1 1985 . 11 1 1 A 209 209 ILE HA H 422 3.349 4.020 -0.671 1 1 1993 . 11 1 1 A 209 209 ILE C C 422 178.143 177.653 0.490 1 1 1994 . 11 1 1 A 209 209 ILE CA C 422 60.865 63.723 -2.858 1 1 1995 . 11 1 1 A 209 209 ILE CB C 422 34.371 37.828 -3.457 1 1 1999 . 11 1 1 A 209 209 ILE N N 422 113.211 126.384 -13.173 1 1 2000 . 11 1 1 A 210 210 GLN H H 423 8.252 8.552 -0.300 1 1 2001 . 11 1 1 A 210 210 GLN HA H 423 3.548 3.973 -0.425 1 1 2006 . 11 1 1 A 210 210 GLN C C 423 179.079 178.014 1.065 1 1 2007 . 11 1 1 A 210 210 GLN CA C 423 58.795 59.038 -0.243 1 1 2008 . 11 1 1 A 210 210 GLN CB C 423 26.704 28.501 -1.797 1 1 2010 . 11 1 1 A 210 210 GLN N N 423 116.455 122.720 -6.265 1 1 2011 . 11 1 1 A 211 211 SER H H 424 8.162 8.370 -0.208 1 1 2012 . 11 1 1 A 211 211 SER HA H 424 3.961 4.232 -0.271 1 1 2015 . 11 1 1 A 211 211 SER C C 424 179.150 176.974 2.176 1 1 2016 . 11 1 1 A 211 211 SER CA C 424 61.850 61.396 0.454 1 1 2017 . 11 1 1 A 211 211 SER CB C 424 62.214 62.441 -0.227 1 1 2018 . 11 1 1 A 211 211 SER N N 424 115.041 116.318 -1.277 1 1 2019 . 11 1 1 A 212 212 LEU H H 425 8.061 7.646 0.415 1 1 2020 . 11 1 1 A 212 212 LEU HA H 425 3.540 3.955 -0.415 1 1 2030 . 11 1 1 A 212 212 LEU C C 425 177.566 178.558 -0.992 1 1 2031 . 11 1 1 A 212 212 LEU CA C 425 58.548 57.818 0.730 1 1 2032 . 11 1 1 A 212 212 LEU CB C 425 41.665 40.986 0.679 1 1 2036 . 11 1 1 A 212 212 LEU N N 425 124.082 124.160 -0.078 1 1 2037 . 11 1 1 A 213 213 CYS H H 426 7.940 8.230 -0.290 1 1 2038 . 11 1 1 A 213 213 CYS HA H 426 3.628 3.890 -0.262 1 1 2041 . 11 1 1 A 213 213 CYS C C 426 175.741 176.407 -0.666 1 1 2042 . 11 1 1 A 213 213 CYS CA C 426 65.159 62.617 2.542 1 1 2043 . 11 1 1 A 213 213 CYS CB C 426 49.251 26.566 22.685 1 1 2044 . 11 1 1 A 213 213 CYS N N 426 114.351 117.888 -3.537 1 1 2045 . 11 1 1 A 214 214 GLN H H 427 7.510 8.184 -0.674 1 1 2046 . 11 1 1 A 214 214 GLN HA H 427 3.772 4.078 -0.306 1 1 2051 . 11 1 1 A 214 214 GLN C C 427 177.769 177.968 -0.199 1 1 2052 . 11 1 1 A 214 214 GLN CA C 427 59.019 58.106 0.913 1 1 2053 . 11 1 1 A 214 214 GLN CB C 427 27.718 27.665 0.053 1 1 2055 . 11 1 1 A 214 214 GLN N N 427 117.399 118.932 -1.533 1 1 2056 . 11 1 1 A 215 215 SER H H 428 7.906 8.252 -0.346 1 1 2057 . 11 1 1 A 215 215 SER HA H 428 4.173 4.183 -0.010 1 1 2060 . 11 1 1 A 215 215 SER CA C 428 62.653 62.358 0.295 1 1 2061 . 11 1 1 A 215 215 SER CB C 428 62.889 63.289 -0.400 1 1 2062 . 11 1 1 A 215 215 SER N N 428 113.799 118.284 -4.485 1 1 2063 . 11 1 1 A 216 216 LEU H H 429 8.505 8.355 0.150 1 1 2064 . 11 1 1 A 216 216 LEU HA H 429 4.156 3.828 0.328 1 1 2071 . 11 1 1 A 216 216 LEU C C 429 178.848 178.242 0.606 1 1 2072 . 11 1 1 A 216 216 LEU CA C 429 58.053 58.068 -0.015 1 1 2073 . 11 1 1 A 216 216 LEU CB C 429 41.222 41.425 -0.203 1 1 2076 . 11 1 1 A 216 216 LEU N N 429 121.357 120.188 1.169 1 1 2077 . 11 1 1 A 217 217 ARG H H 430 7.972 8.298 -0.326 1 1 2078 . 11 1 1 A 217 217 ARG HA H 430 3.850 3.867 -0.017 1 1 2085 . 11 1 1 A 217 217 ARG C C 430 178.237 177.795 0.442 1 1 2086 . 11 1 1 A 217 217 ARG CA C 430 59.472 58.924 0.548 1 1 2087 . 11 1 1 A 217 217 ARG CB C 430 30.256 29.903 0.353 1 1 2090 . 11 1 1 A 217 217 ARG N N 430 116.018 120.878 -4.860 1 1 2091 . 11 1 1 A 218 218 GLU H H 431 7.583 8.221 -0.638 1 1 2092 . 11 1 1 A 218 218 GLU HA H 431 4.119 4.086 0.033 1 1 2096 . 11 1 1 A 218 218 GLU C C 431 178.377 177.241 1.136 1 1 2097 . 11 1 1 A 218 218 GLU CA C 431 58.207 58.298 -0.091 1 1 2098 . 11 1 1 A 218 218 GLU CB C 431 30.548 28.612 1.936 1 1 2100 . 11 1 1 A 218 218 GLU N N 431 113.645 117.960 -4.315 1 1 2101 . 11 1 1 A 219 219 ARG H H 432 8.621 7.566 1.055 1 1 2102 . 11 1 1 A 219 219 ARG HA H 432 4.180 4.295 -0.115 1 1 2103 . 11 1 1 A 219 219 ARG C C 432 178.455 176.791 1.664 1 1 2104 . 11 1 1 A 219 219 ARG CA C 432 58.428 56.860 1.568 1 1 2105 . 11 1 1 A 219 219 ARG CB C 432 30.936 30.072 0.864 1 1 2107 . 11 1 1 A 219 219 ARG N N 432 114.272 118.398 -4.126 1 1 2108 . 11 1 1 A 220 220 CYS H H 433 8.828 7.953 0.875 1 1 2109 . 11 1 1 A 220 220 CYS HA H 433 4.464 4.198 0.266 1 1 2112 . 11 1 1 A 220 220 CYS C C 433 176.708 175.257 1.451 1 1 2113 . 11 1 1 A 220 220 CYS CA C 433 66.312 63.582 2.730 1 1 2114 . 11 1 1 A 220 220 CYS CB C 433 47.095 25.524 21.571 1 1 2115 . 11 1 1 A 220 220 CYS N N 433 120.012 119.044 0.968 1 1 2116 . 11 1 1 A 221 221 PRO HA H 434 4.463 4.542 -0.079 1 1 2123 . 11 1 1 A 221 221 PRO C C 434 177.064 177.129 -0.065 1 1 2124 . 11 1 1 A 221 221 PRO CA C 434 65.717 62.682 3.035 1 1 2125 . 11 1 1 A 221 221 PRO CB C 434 31.169 32.593 -1.424 1 1 2128 . 11 1 1 A 222 222 ARG H H 435 6.904 8.962 -2.058 1 1 2129 . 11 1 1 A 222 222 ARG HA H 435 4.331 4.009 0.322 1 1 2136 . 11 1 1 A 222 222 ARG C C 435 176.536 176.399 0.137 1 1 2137 . 11 1 1 A 222 222 ARG CA C 435 55.901 57.579 -1.678 1 1 2138 . 11 1 1 A 222 222 ARG CB C 435 30.116 28.315 1.801 1 1 2141 . 11 1 1 A 222 222 ARG N N 435 112.486 116.015 -3.529 1 1 2142 . 11 1 1 A 223 223 GLY H H 436 8.160 8.645 -0.485 1 1 2143 . 11 1 1 A 223 223 GLY HA2 H 436 4.237 3.901 0.336 1 1 2144 . 11 1 1 A 223 223 GLY HA3 H 436 3.643 3.909 -0.266 1 1 2145 . 11 1 1 A 223 223 GLY C C 436 173.338 173.986 -0.648 1 1 2146 . 11 1 1 A 223 223 GLY CA C 436 43.988 46.065 -2.077 1 1 2147 . 11 1 1 A 223 223 GLY N N 436 105.931 105.466 0.465 1 1 2148 . 11 1 1 A 224 224 ASP H H 437 6.891 7.802 -0.911 1 1 2149 . 11 1 1 A 224 224 ASP HA H 437 4.500 4.608 -0.108 1 1 2151 . 11 1 1 A 224 224 ASP C C 437 173.806 175.724 -1.918 1 1 2152 . 11 1 1 A 224 224 ASP CA C 437 54.576 54.342 0.234 1 1 2153 . 11 1 1 A 224 224 ASP CB C 437 40.588 41.077 -0.489 1 1 2154 . 11 1 1 A 224 224 ASP N N 437 119.342 121.737 -2.395 1 1 2155 . 11 1 1 A 225 225 ASP H H 438 8.054 8.779 -0.725 1 1 2156 . 11 1 1 A 225 225 ASP HA H 438 4.912 4.778 0.134 1 1 2159 . 11 1 1 A 225 225 ASP C C 438 175.631 176.777 -1.146 1 1 2160 . 11 1 1 A 225 225 ASP CA C 438 52.579 54.591 -2.012 1 1 2161 . 11 1 1 A 225 225 ASP CB C 438 42.616 41.296 1.320 1 1 2162 . 11 1 1 A 225 225 ASP N N 438 117.877 126.128 -8.251 1 1 2163 . 11 1 1 A 226 226 ILE H H 439 9.101 8.747 0.354 1 1 2164 . 11 1 1 A 226 226 ILE HA H 439 3.621 3.927 -0.306 1 1 2174 . 11 1 1 A 226 226 ILE C C 439 176.146 177.617 -1.471 1 1 2175 . 11 1 1 A 226 226 ILE CA C 439 62.602 63.677 -1.075 1 1 2176 . 11 1 1 A 226 226 ILE CB C 439 36.530 38.144 -1.614 1 1 2180 . 11 1 1 A 226 226 ILE N N 439 118.352 123.000 -4.648 1 1 2181 . 11 1 1 A 227 227 LEU H H 440 7.814 7.961 -0.147 1 1 2182 . 11 1 1 A 227 227 LEU HA H 440 3.918 3.770 0.148 1 1 2192 . 11 1 1 A 227 227 LEU C C 440 179.397 178.887 0.510 1 1 2193 . 11 1 1 A 227 227 LEU CA C 440 58.566 57.994 0.572 1 1 2194 . 11 1 1 A 227 227 LEU CB C 440 40.819 42.078 -1.259 1 1 2198 . 11 1 1 A 227 227 LEU N N 440 119.906 120.593 -0.687 1 1 2199 . 11 1 1 A 228 228 THR H H 441 7.665 8.499 -0.834 1 1 2200 . 11 1 1 A 228 228 THR HA H 441 4.289 3.849 0.440 1 1 2205 . 11 1 1 A 228 228 THR C C 441 179.489 176.204 3.285 1 1 2206 . 11 1 1 A 228 228 THR CA C 441 61.837 66.830 -4.993 1 1 2207 . 11 1 1 A 228 228 THR CB C 441 69.979 67.797 2.182 1 1 2209 . 11 1 1 A 228 228 THR N N 441 120.011 113.134 6.877 1 1 2210 . 11 1 1 A 229 229 ILE H H 442 7.807 7.930 -0.123 1 1 2211 . 11 1 1 A 229 229 ILE HA H 442 3.300 3.602 -0.302 1 1 2221 . 11 1 1 A 229 229 ILE C C 442 177.728 177.749 -0.021 1 1 2222 . 11 1 1 A 229 229 ILE CA C 442 66.069 65.136 0.933 1 1 2223 . 11 1 1 A 229 229 ILE CB C 442 38.260 37.825 0.435 1 1 2227 . 11 1 1 A 229 229 ILE N N 442 119.411 121.013 -1.602 1 1 2228 . 11 1 1 A 230 230 LEU H H 443 8.530 7.373 1.157 1 1 2229 . 11 1 1 A 230 230 LEU HA H 443 3.958 3.888 0.070 1 1 2239 . 11 1 1 A 230 230 LEU C C 443 178.689 177.862 0.827 1 1 2240 . 11 1 1 A 230 230 LEU CA C 443 57.697 57.596 0.101 1 1 2241 . 11 1 1 A 230 230 LEU CB C 443 42.191 41.702 0.489 1 1 2245 . 11 1 1 A 230 230 LEU N N 443 116.186 120.295 -4.109 1 1 2246 . 11 1 1 A 231 231 THR H H 444 8.008 7.477 0.531 1 1 2247 . 11 1 1 A 231 231 THR HA H 444 4.153 4.367 -0.214 1 1 2252 . 11 1 1 A 231 231 THR C C 444 175.208 174.595 0.613 1 1 2253 . 11 1 1 A 231 231 THR CA C 444 65.327 61.431 3.896 1 1 2254 . 11 1 1 A 231 231 THR CB C 444 69.718 68.932 0.786 1 1 2256 . 11 1 1 A 231 231 THR N N 444 112.075 106.282 5.793 1 1 2257 . 11 1 1 A 232 232 GLU H H 445 7.717 8.128 -0.411 1 1 2258 . 11 1 1 A 232 232 GLU HA H 445 4.186 4.391 -0.205 1 1 2259 . 11 1 1 A 232 232 GLU C C 445 177.156 174.916 2.240 1 1 2260 . 11 1 1 A 232 232 GLU CA C 445 57.891 56.003 1.888 1 1 2261 . 11 1 1 A 232 232 GLU CB C 445 28.836 30.081 -1.245 1 1 2263 . 11 1 1 A 232 232 GLU N N 445 120.074 121.244 -1.170 1 1 2294 . 11 1 1 A 252 252 GLN H H 465 8.586 7.937 0.649 1 1 2295 . 11 1 1 A 252 252 GLN HA H 465 4.689 4.599 0.090 1 1 2296 . 11 1 1 A 252 252 GLN C C 465 174.446 174.206 0.240 1 1 2297 . 11 1 1 A 252 252 GLN CA C 465 53.682 53.956 -0.274 1 1 2298 . 11 1 1 A 252 252 GLN CB C 465 28.537 28.909 -0.372 1 1 2300 . 11 1 1 A 252 252 GLN N N 465 121.782 116.442 5.340 1 1 2301 . 11 1 1 A 253 253 PRO HA H 466 4.902 4.694 0.208 1 1 2302 . 11 1 1 A 253 253 PRO C C 466 174.937 176.648 -1.711 1 1 2303 . 11 1 1 A 253 253 PRO CA C 466 63.075 62.250 0.825 1 1 2304 . 11 1 1 A 253 253 PRO CB C 466 32.384 28.929 3.455 1 1 2307 . 11 1 1 A 254 254 THR H H 467 8.556 8.163 0.393 1 1 2308 . 11 1 1 A 254 254 THR HA H 467 4.659 4.190 0.469 1 1 2313 . 11 1 1 A 254 254 THR C C 467 172.995 174.970 -1.975 1 1 2314 . 11 1 1 A 254 254 THR CA C 467 61.740 62.552 -0.812 1 1 2315 . 11 1 1 A 254 254 THR CB C 467 70.195 69.136 1.059 1 1 2317 . 11 1 1 A 254 254 THR N N 467 115.754 114.328 1.426 1 1 2318 . 11 1 1 A 255 255 PHE H H 468 8.560 7.631 0.929 1 1 2319 . 11 1 1 A 255 255 PHE HA H 468 5.502 4.762 0.740 1 1 2322 . 11 1 1 A 255 255 PHE C C 468 173.198 175.018 -1.820 1 1 2323 . 11 1 1 A 255 255 PHE CA C 468 56.283 55.431 0.852 1 1 2324 . 11 1 1 A 255 255 PHE CB C 468 43.426 40.459 2.967 1 1 2325 . 11 1 1 A 255 255 PHE N N 468 120.481 119.452 1.029 1 1 2326 . 11 1 1 A 256 256 THR H H 469 9.702 8.575 1.127 1 1 2327 . 11 1 1 A 256 256 THR HA H 469 4.662 5.320 -0.658 1 1 2332 . 11 1 1 A 256 256 THR C C 469 176.561 172.959 3.602 1 1 2333 . 11 1 1 A 256 256 THR CA C 469 59.948 60.396 -0.448 1 1 2334 . 11 1 1 A 256 256 THR CB C 469 69.145 71.870 -2.725 1 1 2336 . 11 1 1 A 256 256 THR N N 469 108.601 111.566 -2.965 1 1 2337 . 11 1 1 A 257 257 LEU H H 470 7.235 8.853 -1.618 1 1 2338 . 11 1 1 A 257 257 LEU HA H 470 4.401 4.901 -0.500 1 1 2348 . 11 1 1 A 257 257 LEU C C 470 175.975 176.620 -0.645 1 1 2349 . 11 1 1 A 257 257 LEU CA C 470 55.492 53.603 1.889 1 1 2350 . 11 1 1 A 257 257 LEU CB C 470 41.850 46.135 -4.285 1 1 2354 . 11 1 1 A 257 257 LEU N N 470 120.802 122.498 -1.696 1 1 2355 . 11 1 1 A 258 258 ARG H H 471 8.228 8.897 -0.669 1 1 2356 . 11 1 1 A 258 258 ARG HA H 471 4.631 4.314 0.317 1 1 2363 . 11 1 1 A 258 258 ARG C C 471 174.114 176.134 -2.020 1 1 2364 . 11 1 1 A 258 258 ARG CA C 471 55.071 57.203 -2.132 1 1 2365 . 11 1 1 A 258 258 ARG CB C 471 32.470 30.809 1.661 1 1 2368 . 11 1 1 A 258 258 ARG N N 471 118.883 120.968 -2.085 1 1 2369 . 11 1 1 A 259 259 LYS H H 472 7.217 7.628 -0.411 1 1 2370 . 11 1 1 A 259 259 LYS HA H 472 4.260 4.959 -0.699 1 1 2379 . 11 1 1 A 259 259 LYS C C 472 174.571 175.049 -0.478 1 1 2380 . 11 1 1 A 259 259 LYS CA C 472 53.269 54.674 -1.405 1 1 2381 . 11 1 1 A 259 259 LYS CB C 472 36.332 35.553 0.779 1 1 2385 . 11 1 1 A 259 259 LYS N N 472 116.031 116.141 -0.110 1 1 2386 . 11 1 1 A 260 260 LYS H H 473 8.357 8.570 -0.213 1 1 2387 . 11 1 1 A 260 260 LYS HA H 473 4.297 4.525 -0.228 1 1 2396 . 11 1 1 A 260 260 LYS C C 473 174.137 175.819 -1.682 1 1 2397 . 11 1 1 A 260 260 LYS CA C 473 57.258 56.620 0.638 1 1 2398 . 11 1 1 A 260 260 LYS CB C 473 33.561 32.630 0.931 1 1 2402 . 11 1 1 A 260 260 LYS N N 473 119.377 124.380 -5.003 1 1 2403 . 11 1 1 A 261 261 LEU H H 474 9.288 9.005 0.283 1 1 2404 . 11 1 1 A 261 261 LEU HA H 474 5.048 4.634 0.414 1 1 2414 . 11 1 1 A 261 261 LEU C C 474 172.558 175.305 -2.747 1 1 2415 . 11 1 1 A 261 261 LEU CA C 474 53.327 53.743 -0.416 1 1 2416 . 11 1 1 A 261 261 LEU CB C 474 44.313 41.120 3.193 1 1 2420 . 11 1 1 A 261 261 LEU N N 474 126.482 129.368 -2.886 1 1 2421 . 11 1 1 A 262 262 VAL H H 475 8.876 8.335 0.541 1 1 2422 . 11 1 1 A 262 262 VAL HA H 475 4.238 4.271 -0.033 1 1 2430 . 11 1 1 A 262 262 VAL C C 475 174.243 175.683 -1.440 1 1 2431 . 11 1 1 A 262 262 VAL CA C 475 59.734 63.002 -3.268 1 1 2432 . 11 1 1 A 262 262 VAL CB C 475 34.790 32.438 2.352 1 1 2435 . 11 1 1 A 262 262 VAL N N 475 124.316 124.822 -0.506 1 1 2436 . 11 1 1 A 263 263 PHE H H 476 8.826 8.903 -0.077 1 1 2437 . 11 1 1 A 263 263 PHE HA H 476 5.518 5.196 0.322 1 1 2443 . 11 1 1 A 263 263 PHE C C 476 171.887 174.588 -2.701 1 1 2444 . 11 1 1 A 263 263 PHE CA C 476 52.082 55.361 -3.279 1 1 2445 . 11 1 1 A 263 263 PHE CB C 476 39.792 39.218 0.574 1 1 2449 . 11 1 1 A 263 263 PHE N N 476 122.867 125.774 -2.907 1 1 2450 . 11 1 1 A 264 264 PRO HA H 477 4.649 4.363 0.286 1 1 2457 . 11 1 1 A 264 264 PRO C C 477 178.322 177.996 0.326 1 1 2458 . 11 1 1 A 264 264 PRO CA C 477 62.333 64.956 -2.623 1 1 2459 . 11 1 1 A 264 264 PRO CB C 477 32.553 31.673 0.880 1 1 2462 . 11 1 1 A 265 265 SER H H 478 8.763 8.268 0.495 1 1 2463 . 11 1 1 A 265 265 SER HA H 478 4.494 4.468 0.026 1 1 2466 . 11 1 1 A 265 265 SER C C 478 173.725 174.267 -0.542 1 1 2467 . 11 1 1 A 265 265 SER CA C 478 59.060 59.591 -0.531 1 1 2468 . 11 1 1 A 265 265 SER CB C 478 64.038 61.171 2.867 1 1 2469 . 11 1 1 A 265 265 SER N N 478 116.725 115.865 0.860 1 1 17 . 12 1 1 A 12 12 VAL H H 225 7.819 8.204 -0.385 1 1 18 . 12 1 1 A 12 12 VAL HA H 225 4.946 4.267 0.679 1 1 26 . 12 1 1 A 12 12 VAL C C 225 175.898 175.835 0.063 1 1 27 . 12 1 1 A 12 12 VAL CA C 225 59.650 62.424 -2.774 1 1 28 . 12 1 1 A 12 12 VAL CB C 225 35.296 32.757 2.539 1 1 31 . 12 1 1 A 12 12 VAL N N 225 117.637 119.337 -1.700 1 1 32 . 12 1 1 A 13 13 TYR H H 226 8.318 8.148 0.170 1 1 33 . 12 1 1 A 13 13 TYR HA H 226 4.291 4.674 -0.383 1 1 36 . 12 1 1 A 13 13 TYR C C 226 176.911 175.332 1.579 1 1 37 . 12 1 1 A 13 13 TYR CA C 226 60.063 58.215 1.848 1 1 38 . 12 1 1 A 13 13 TYR CB C 226 37.843 38.662 -0.819 1 1 39 . 12 1 1 A 13 13 TYR N N 226 122.976 126.667 -3.691 1 1 40 . 12 1 1 A 14 14 GLN H H 227 9.128 9.105 0.023 1 1 41 . 12 1 1 A 14 14 GLN HA H 227 3.996 5.046 -1.050 1 1 46 . 12 1 1 A 14 14 GLN C C 227 175.052 175.280 -0.228 1 1 47 . 12 1 1 A 14 14 GLN CA C 227 57.421 54.685 2.736 1 1 48 . 12 1 1 A 14 14 GLN CB C 227 29.550 29.900 -0.350 1 1 50 . 12 1 1 A 14 14 GLN N N 227 124.676 119.629 5.047 1 1 51 . 12 1 1 A 15 15 MET H H 228 8.465 8.194 0.271 1 1 52 . 12 1 1 A 15 15 MET HA H 228 5.210 4.703 0.507 1 1 60 . 12 1 1 A 15 15 MET C C 228 172.979 175.362 -2.383 1 1 61 . 12 1 1 A 15 15 MET CA C 228 52.955 54.153 -1.198 1 1 62 . 12 1 1 A 15 15 MET CB C 228 30.751 32.528 -1.777 1 1 65 . 12 1 1 A 15 15 MET N N 228 128.835 124.475 4.360 1 1 66 . 12 1 1 A 16 16 LYS H H 229 9.119 7.298 1.821 1 1 67 . 12 1 1 A 16 16 LYS HA H 229 4.558 4.270 0.288 1 1 76 . 12 1 1 A 16 16 LYS C C 229 176.209 176.145 0.064 1 1 77 . 12 1 1 A 16 16 LYS CA C 229 55.916 56.555 -0.639 1 1 78 . 12 1 1 A 16 16 LYS CB C 229 35.555 33.070 2.485 1 1 82 . 12 1 1 A 16 16 LYS N N 229 120.235 119.033 1.202 1 1 83 . 12 1 1 A 17 17 SER H H 230 9.101 8.688 0.413 1 1 84 . 12 1 1 A 17 17 SER HA H 230 4.077 4.042 0.035 1 1 87 . 12 1 1 A 17 17 SER C C 230 172.995 173.759 -0.764 1 1 88 . 12 1 1 A 17 17 SER CA C 230 59.615 59.304 0.311 1 1 89 . 12 1 1 A 17 17 SER CB C 230 64.482 61.914 2.568 1 1 90 . 12 1 1 A 17 17 SER N N 230 121.500 113.141 8.359 1 1 91 . 12 1 1 A 18 18 LYS H H 231 8.120 7.866 0.254 1 1 92 . 12 1 1 A 18 18 LYS HA H 231 4.373 4.370 0.003 1 1 101 . 12 1 1 A 18 18 LYS C C 231 173.565 175.263 -1.698 1 1 102 . 12 1 1 A 18 18 LYS CA C 231 53.231 54.557 -1.326 1 1 103 . 12 1 1 A 18 18 LYS CB C 231 34.596 31.007 3.589 1 1 107 . 12 1 1 A 18 18 LYS N N 231 120.561 120.018 0.543 1 1 108 . 12 1 1 A 19 19 PRO HA H 232 4.898 4.657 0.241 1 1 115 . 12 1 1 A 19 19 PRO C C 232 176.162 177.371 -1.209 1 1 116 . 12 1 1 A 19 19 PRO CA C 232 62.838 62.248 0.590 1 1 117 . 12 1 1 A 19 19 PRO CB C 232 34.997 32.892 2.105 1 1 120 . 12 1 1 A 20 20 ARG H H 233 8.782 9.073 -0.291 1 1 121 . 12 1 1 A 20 20 ARG HA H 233 3.651 4.022 -0.371 1 1 122 . 12 1 1 A 20 20 ARG C C 233 175.210 177.075 -1.865 1 1 123 . 12 1 1 A 20 20 ARG CA C 233 56.621 59.029 -2.408 1 1 124 . 12 1 1 A 20 20 ARG CB C 233 30.581 30.475 0.106 1 1 127 . 12 1 1 A 20 20 ARG N N 233 118.785 120.943 -2.158 1 1 128 . 12 1 1 A 21 21 GLY H H 234 6.490 7.693 -1.203 1 1 129 . 12 1 1 A 21 21 GLY HA2 H 234 4.312 3.884 0.428 1 1 130 . 12 1 1 A 21 21 GLY HA3 H 234 4.662 3.912 0.750 1 1 131 . 12 1 1 A 21 21 GLY C C 234 172.012 174.922 -2.910 1 1 132 . 12 1 1 A 21 21 GLY CA C 234 43.743 45.779 -2.036 1 1 133 . 12 1 1 A 21 21 GLY N N 234 128.529 105.087 23.442 1 1 134 . 12 1 1 A 22 22 TYR H H 235 9.327 7.791 1.536 1 1 135 . 12 1 1 A 22 22 TYR HA H 235 5.260 4.341 0.919 1 1 140 . 12 1 1 A 22 22 TYR C C 235 173.931 174.947 -1.016 1 1 141 . 12 1 1 A 22 22 TYR CA C 235 58.287 58.828 -0.541 1 1 142 . 12 1 1 A 22 22 TYR CB C 235 39.762 35.722 4.040 1 1 145 . 12 1 1 A 22 22 TYR N N 235 119.429 115.060 4.369 1 1 146 . 12 1 1 A 23 23 CYS H H 236 8.665 7.408 1.257 1 1 147 . 12 1 1 A 23 23 CYS HA H 236 4.928 4.641 0.287 1 1 148 . 12 1 1 A 23 23 CYS C C 236 172.970 173.490 -0.520 1 1 149 . 12 1 1 A 23 23 CYS CA C 236 55.636 59.493 -3.857 1 1 150 . 12 1 1 A 23 23 CYS CB C 236 50.040 28.591 21.449 1 1 151 . 12 1 1 A 23 23 CYS N N 236 120.485 118.564 1.921 1 1 152 . 12 1 1 A 24 24 LEU H H 237 8.619 8.111 0.508 1 1 153 . 12 1 1 A 24 24 LEU HA H 237 4.691 5.191 -0.500 1 1 163 . 12 1 1 A 24 24 LEU C C 237 175.850 175.900 -0.050 1 1 164 . 12 1 1 A 24 24 LEU CA C 237 54.053 53.442 0.611 1 1 165 . 12 1 1 A 24 24 LEU CB C 237 44.117 43.507 0.610 1 1 169 . 12 1 1 A 24 24 LEU N N 237 129.465 123.061 6.404 1 1 170 . 12 1 1 A 25 25 ILE H H 238 8.304 8.661 -0.357 1 1 171 . 12 1 1 A 25 25 ILE HA H 238 4.639 4.968 -0.329 1 1 179 . 12 1 1 A 25 25 ILE C C 238 174.032 174.904 -0.872 1 1 180 . 12 1 1 A 25 25 ILE CA C 238 60.879 60.235 0.644 1 1 181 . 12 1 1 A 25 25 ILE CB C 238 41.165 41.955 -0.790 1 1 185 . 12 1 1 A 25 25 ILE N N 238 122.597 124.148 -1.551 1 1 186 . 12 1 1 A 26 26 ILE H H 239 9.025 8.641 0.384 1 1 187 . 12 1 1 A 26 26 ILE HA H 239 4.778 5.296 -0.518 1 1 197 . 12 1 1 A 26 26 ILE C C 239 173.104 174.539 -1.435 1 1 198 . 12 1 1 A 26 26 ILE CA C 239 60.733 60.168 0.565 1 1 199 . 12 1 1 A 26 26 ILE CB C 239 38.237 40.828 -2.591 1 1 203 . 12 1 1 A 26 26 ILE N N 239 129.303 127.448 1.855 1 1 204 . 12 1 1 A 27 27 ASN H H 240 8.957 9.358 -0.401 1 1 205 . 12 1 1 A 27 27 ASN HA H 240 5.174 5.675 -0.501 1 1 208 . 12 1 1 A 27 27 ASN C C 240 172.948 173.811 -0.863 1 1 209 . 12 1 1 A 27 27 ASN CA C 240 52.055 51.727 0.328 1 1 210 . 12 1 1 A 27 27 ASN CB C 240 40.530 42.493 -1.963 1 1 211 . 12 1 1 A 27 27 ASN N N 240 125.494 126.745 -1.251 1 1 212 . 12 1 1 A 28 28 ASN H H 241 9.118 9.127 -0.009 1 1 213 . 12 1 1 A 28 28 ASN HA H 241 5.106 5.616 -0.510 1 1 216 . 12 1 1 A 28 28 ASN C C 241 172.184 174.761 -2.577 1 1 217 . 12 1 1 A 28 28 ASN CA C 241 52.599 51.434 1.165 1 1 218 . 12 1 1 A 28 28 ASN CB C 241 38.296 43.099 -4.803 1 1 219 . 12 1 1 A 28 28 ASN N N 241 125.089 119.610 5.479 1 1 220 . 12 1 1 A 29 29 HIS H H 242 9.512 8.616 0.896 1 1 221 . 12 1 1 A 29 29 HIS HA H 242 4.384 4.418 -0.034 1 1 224 . 12 1 1 A 29 29 HIS C C 242 173.519 174.392 -0.873 1 1 225 . 12 1 1 A 29 29 HIS CA C 242 59.174 56.742 2.432 1 1 226 . 12 1 1 A 29 29 HIS CB C 242 28.022 32.468 -4.446 1 1 227 . 12 1 1 A 29 29 HIS N N 242 125.634 121.007 4.627 1 1 228 . 12 1 1 A 30 30 ASN H H 243 8.623 7.558 1.065 1 1 229 . 12 1 1 A 30 30 ASN HA H 243 4.148 4.186 -0.038 1 1 234 . 12 1 1 A 30 30 ASN C C 243 175.052 174.994 0.058 1 1 235 . 12 1 1 A 30 30 ASN CA C 243 53.229 53.634 -0.405 1 1 236 . 12 1 1 A 30 30 ASN CB C 243 38.980 39.151 -0.171 1 1 237 . 12 1 1 A 30 30 ASN N N 243 119.059 116.169 2.890 1 1 239 . 12 1 1 A 31 31 PHE H H 244 8.676 8.554 0.122 1 1 240 . 12 1 1 A 31 31 PHE HA H 244 4.686 4.865 -0.179 1 1 243 . 12 1 1 A 31 31 PHE C C 244 174.399 176.386 -1.987 1 1 244 . 12 1 1 A 31 31 PHE CA C 244 57.688 57.239 0.449 1 1 245 . 12 1 1 A 31 31 PHE CB C 244 39.026 39.080 -0.054 1 1 246 . 12 1 1 A 31 31 PHE N N 244 124.091 123.006 1.085 1 1 247 . 12 1 1 A 32 32 ALA H H 245 8.244 7.957 0.287 1 1 248 . 12 1 1 A 32 32 ALA HA H 245 3.869 3.986 -0.117 1 1 252 . 12 1 1 A 32 32 ALA C C 245 180.452 178.952 1.500 1 1 253 . 12 1 1 A 32 32 ALA CA C 245 56.274 55.361 0.913 1 1 254 . 12 1 1 A 32 32 ALA CB C 245 18.181 18.774 -0.593 1 1 255 . 12 1 1 A 32 32 ALA N N 245 122.713 123.261 -0.548 1 1 256 . 12 1 1 A 33 33 LYS H H 246 8.964 8.776 0.188 1 1 257 . 12 1 1 A 33 33 LYS HA H 246 4.089 4.485 -0.396 1 1 266 . 12 1 1 A 33 33 LYS C C 246 177.441 177.108 0.333 1 1 267 . 12 1 1 A 33 33 LYS CA C 246 58.632 55.666 2.966 1 1 268 . 12 1 1 A 33 33 LYS CB C 246 30.418 32.289 -1.871 1 1 272 . 12 1 1 A 33 33 LYS N N 246 116.888 115.348 1.540 1 1 273 . 12 1 1 A 34 34 ALA H H 247 7.088 7.880 -0.792 1 1 274 . 12 1 1 A 34 34 ALA HA H 247 3.752 4.569 -0.817 1 1 278 . 12 1 1 A 34 34 ALA C C 247 177.581 177.901 -0.320 1 1 279 . 12 1 1 A 34 34 ALA CA C 247 55.502 51.719 3.783 1 1 280 . 12 1 1 A 34 34 ALA CB C 247 18.099 20.459 -2.360 1 1 281 . 12 1 1 A 34 34 ALA N N 247 122.047 122.570 -0.523 1 1 282 . 12 1 1 A 35 35 ARG H H 248 7.706 7.799 -0.093 1 1 283 . 12 1 1 A 35 35 ARG HA H 248 4.338 3.953 0.385 1 1 292 . 12 1 1 A 35 35 ARG C C 248 179.094 177.531 1.563 1 1 293 . 12 1 1 A 35 35 ARG CA C 248 56.283 59.030 -2.747 1 1 294 . 12 1 1 A 35 35 ARG CB C 248 30.668 29.864 0.804 1 1 297 . 12 1 1 A 35 35 ARG N N 248 112.008 119.579 -7.571 1 1 299 . 12 1 1 A 36 36 GLU H H 249 7.707 7.819 -0.112 1 1 300 . 12 1 1 A 36 36 GLU HA H 249 4.121 4.518 -0.397 1 1 305 . 12 1 1 A 36 36 GLU C C 249 178.205 177.637 0.568 1 1 306 . 12 1 1 A 36 36 GLU CA C 249 58.194 57.358 0.836 1 1 307 . 12 1 1 A 36 36 GLU CB C 249 30.596 31.834 -1.238 1 1 309 . 12 1 1 A 36 36 GLU N N 249 116.945 116.568 0.377 1 1 310 . 12 1 1 A 37 37 LYS H H 250 7.954 8.066 -0.112 1 1 311 . 12 1 1 A 37 37 LYS HA H 250 4.381 4.087 0.294 1 1 320 . 12 1 1 A 37 37 LYS C C 250 176.772 177.552 -0.780 1 1 321 . 12 1 1 A 37 37 LYS CA C 250 57.323 58.775 -1.452 1 1 322 . 12 1 1 A 37 37 LYS CB C 250 34.892 32.621 2.271 1 1 326 . 12 1 1 A 37 37 LYS N N 250 114.798 119.257 -4.459 1 1 327 . 12 1 1 A 38 38 VAL H H 251 8.298 7.332 0.966 1 1 328 . 12 1 1 A 38 38 VAL HA H 251 4.582 4.486 0.096 1 1 336 . 12 1 1 A 38 38 VAL C C 251 174.903 175.160 -0.257 1 1 337 . 12 1 1 A 38 38 VAL CA C 251 60.316 59.162 1.154 1 1 338 . 12 1 1 A 38 38 VAL CB C 251 32.374 31.755 0.619 1 1 341 . 12 1 1 A 38 38 VAL N N 251 120.907 114.340 6.567 1 1 342 . 12 1 1 A 40 40 LYS H H 253 8.588 8.695 -0.107 1 1 343 . 12 1 1 A 40 40 LYS HA H 253 4.275 4.318 -0.043 1 1 352 . 12 1 1 A 40 40 LYS C C 253 176.447 177.144 -0.697 1 1 353 . 12 1 1 A 40 40 LYS CA C 253 58.550 57.008 1.542 1 1 354 . 12 1 1 A 40 40 LYS CB C 253 31.568 32.535 -0.967 1 1 358 . 12 1 1 A 40 40 LYS N N 253 113.861 116.230 -2.369 1 1 359 . 12 1 1 A 41 41 LEU H H 254 7.948 7.888 0.060 1 1 360 . 12 1 1 A 41 41 LEU HA H 254 4.391 4.567 -0.176 1 1 370 . 12 1 1 A 41 41 LEU C C 254 175.989 177.310 -1.321 1 1 371 . 12 1 1 A 41 41 LEU CA C 254 53.279 54.407 -1.128 1 1 372 . 12 1 1 A 41 41 LEU CB C 254 40.369 41.497 -1.128 1 1 376 . 12 1 1 A 41 41 LEU N N 254 118.998 119.917 -0.919 1 1 377 . 12 1 1 A 42 42 HIS H H 255 7.167 7.950 -0.783 1 1 378 . 12 1 1 A 42 42 HIS HA H 255 4.376 4.407 -0.031 1 1 382 . 12 1 1 A 42 42 HIS C C 255 174.836 177.077 -2.241 1 1 383 . 12 1 1 A 42 42 HIS CA C 255 59.188 58.526 0.662 1 1 384 . 12 1 1 A 42 42 HIS CB C 255 30.311 30.664 -0.353 1 1 386 . 12 1 1 A 42 42 HIS N N 255 116.251 118.761 -2.510 1 1 387 . 12 1 1 A 43 43 SER H H 256 7.735 8.336 -0.601 1 1 388 . 12 1 1 A 43 43 SER HA H 256 4.490 4.321 0.169 1 1 391 . 12 1 1 A 43 43 SER C C 256 174.045 175.253 -1.208 1 1 392 . 12 1 1 A 43 43 SER CA C 256 56.420 60.639 -4.219 1 1 393 . 12 1 1 A 43 43 SER CB C 256 64.093 63.369 0.724 1 1 394 . 12 1 1 A 43 43 SER N N 256 110.725 114.598 -3.873 1 1 395 . 12 1 1 A 44 44 ILE H H 257 7.403 7.627 -0.224 1 1 396 . 12 1 1 A 44 44 ILE HA H 257 3.806 4.378 -0.572 1 1 406 . 12 1 1 A 44 44 ILE C C 257 174.321 175.614 -1.293 1 1 407 . 12 1 1 A 44 44 ILE CA C 257 61.640 60.394 1.246 1 1 408 . 12 1 1 A 44 44 ILE CB C 257 38.324 37.254 1.070 1 1 412 . 12 1 1 A 44 44 ILE N N 257 124.717 113.117 11.600 1 1 413 . 12 1 1 A 45 45 ARG H H 258 8.043 7.420 0.623 1 1 414 . 12 1 1 A 45 45 ARG HA H 258 4.201 4.309 -0.108 1 1 421 . 12 1 1 A 45 45 ARG C C 258 177.535 175.112 2.423 1 1 422 . 12 1 1 A 45 45 ARG CA C 258 55.412 55.917 -0.505 1 1 423 . 12 1 1 A 45 45 ARG CB C 258 31.546 29.599 1.947 1 1 426 . 12 1 1 A 45 45 ARG N N 258 124.319 124.486 -0.167 1 1 427 . 12 1 1 A 46 46 ASP H H 259 8.584 8.553 0.031 1 1 428 . 12 1 1 A 46 46 ASP HA H 259 5.096 5.034 0.062 1 1 431 . 12 1 1 A 46 46 ASP C C 259 177.819 176.467 1.352 1 1 432 . 12 1 1 A 46 46 ASP CA C 259 55.248 52.732 2.516 1 1 433 . 12 1 1 A 46 46 ASP CB C 259 39.614 40.182 -0.568 1 1 434 . 12 1 1 A 46 46 ASP N N 259 120.371 126.726 -6.355 1 1 435 . 12 1 1 A 47 47 ARG H H 260 8.632 8.412 0.220 1 1 442 . 12 1 1 A 47 47 ARG CA C 260 56.228 58.914 -2.686 1 1 443 . 12 1 1 A 47 47 ARG CB C 260 26.981 29.923 -2.942 1 1 445 . 12 1 1 A 47 47 ARG N N 260 123.120 120.883 2.237 1 1 447 . 12 1 1 A 51 51 HIS HA H 264 4.293 4.318 -0.025 1 1 451 . 12 1 1 A 51 51 HIS C C 264 178.002 176.704 1.298 1 1 452 . 12 1 1 A 51 51 HIS CA C 264 60.062 58.828 1.234 1 1 453 . 12 1 1 A 51 51 HIS CB C 264 29.109 29.288 -0.179 1 1 455 . 12 1 1 A 52 52 LEU H H 265 7.474 6.914 0.560 1 1 456 . 12 1 1 A 52 52 LEU HA H 265 4.125 3.896 0.229 1 1 466 . 12 1 1 A 52 52 LEU C C 265 180.623 178.216 2.407 1 1 467 . 12 1 1 A 52 52 LEU CA C 265 56.921 56.551 0.370 1 1 468 . 12 1 1 A 52 52 LEU CB C 265 40.572 41.444 -0.872 1 1 472 . 12 1 1 A 52 52 LEU N N 265 122.692 121.380 1.312 1 1 473 . 12 1 1 A 53 53 ASP H H 266 6.993 7.699 -0.706 1 1 474 . 12 1 1 A 53 53 ASP C C 266 176.536 175.861 0.675 1 1 475 . 12 1 1 A 53 53 ASP CA C 266 56.718 56.042 0.676 1 1 476 . 12 1 1 A 53 53 ASP CB C 266 39.787 41.747 -1.960 1 1 477 . 12 1 1 A 53 53 ASP N N 266 122.192 119.588 2.604 1 1 478 . 12 1 1 A 54 54 ALA H H 267 8.217 7.584 0.633 1 1 479 . 12 1 1 A 54 54 ALA HA H 267 3.840 4.017 -0.177 1 1 483 . 12 1 1 A 54 54 ALA C C 267 180.507 177.219 3.288 1 1 484 . 12 1 1 A 54 54 ALA CA C 267 55.836 53.359 2.477 1 1 485 . 12 1 1 A 54 54 ALA CB C 267 17.386 17.727 -0.341 1 1 486 . 12 1 1 A 54 54 ALA N N 267 121.612 120.316 1.296 1 1 487 . 12 1 1 A 55 55 GLY H H 268 8.481 8.844 -0.363 1 1 488 . 12 1 1 A 55 55 GLY C C 268 174.929 174.359 0.570 1 1 489 . 12 1 1 A 55 55 GLY CA C 268 46.546 46.752 -0.206 1 1 490 . 12 1 1 A 55 55 GLY N N 268 107.453 103.129 4.324 1 1 491 . 12 1 1 A 56 56 ALA H H 269 7.759 8.322 -0.563 1 1 492 . 12 1 1 A 56 56 ALA HA H 269 4.190 4.115 0.075 1 1 496 . 12 1 1 A 56 56 ALA C C 269 180.493 177.414 3.079 1 1 497 . 12 1 1 A 56 56 ALA CA C 269 55.311 54.102 1.209 1 1 498 . 12 1 1 A 56 56 ALA CB C 269 17.951 18.084 -0.133 1 1 499 . 12 1 1 A 56 56 ALA N N 269 125.518 116.604 8.914 1 1 500 . 12 1 1 A 57 57 LEU H H 270 8.224 8.189 0.035 1 1 501 . 12 1 1 A 57 57 LEU HA H 270 3.840 4.022 -0.182 1 1 506 . 12 1 1 A 57 57 LEU C C 270 177.499 179.214 -1.715 1 1 507 . 12 1 1 A 57 57 LEU CA C 270 58.315 57.930 0.385 1 1 508 . 12 1 1 A 57 57 LEU CB C 270 43.182 42.311 0.871 1 1 511 . 12 1 1 A 57 57 LEU N N 270 121.610 118.730 2.880 1 1 512 . 12 1 1 A 58 58 THR H H 271 7.976 8.089 -0.113 1 1 513 . 12 1 1 A 58 58 THR HA H 271 4.432 4.150 0.282 1 1 518 . 12 1 1 A 58 58 THR C C 271 174.457 176.090 -1.633 1 1 519 . 12 1 1 A 58 58 THR CA C 271 68.788 66.178 2.610 1 1 520 . 12 1 1 A 58 58 THR CB C 271 67.557 68.874 -1.317 1 1 522 . 12 1 1 A 58 58 THR N N 271 115.528 114.684 0.844 1 1 523 . 12 1 1 A 59 59 THR H H 272 8.085 8.262 -0.177 1 1 524 . 12 1 1 A 59 59 THR HA H 272 3.911 3.968 -0.057 1 1 529 . 12 1 1 A 59 59 THR C C 272 176.131 177.220 -1.089 1 1 530 . 12 1 1 A 59 59 THR CA C 272 65.908 65.016 0.892 1 1 531 . 12 1 1 A 59 59 THR CB C 272 69.045 68.875 0.170 1 1 533 . 12 1 1 A 59 59 THR N N 272 114.864 114.280 0.584 1 1 534 . 12 1 1 A 60 60 THR H H 273 7.875 7.577 0.298 1 1 535 . 12 1 1 A 60 60 THR HA H 273 3.423 3.750 -0.327 1 1 540 . 12 1 1 A 60 60 THR C C 273 175.166 175.577 -0.411 1 1 541 . 12 1 1 A 60 60 THR CA C 273 67.291 66.708 0.583 1 1 542 . 12 1 1 A 60 60 THR CB C 273 68.824 68.328 0.496 1 1 544 . 12 1 1 A 60 60 THR N N 273 116.718 117.176 -0.458 1 1 545 . 12 1 1 A 61 61 PHE H H 274 8.219 7.697 0.522 1 1 546 . 12 1 1 A 61 61 PHE HA H 274 4.213 4.372 -0.159 1 1 552 . 12 1 1 A 61 61 PHE C C 274 178.034 177.890 0.144 1 1 553 . 12 1 1 A 61 61 PHE CA C 274 63.308 61.249 2.059 1 1 554 . 12 1 1 A 61 61 PHE CB C 274 37.080 39.596 -2.516 1 1 558 . 12 1 1 A 61 61 PHE N N 274 114.721 117.728 -3.007 1 1 559 . 12 1 1 A 62 62 GLU H H 275 8.810 9.007 -0.197 1 1 560 . 12 1 1 A 62 62 GLU HA H 275 4.416 3.897 0.519 1 1 565 . 12 1 1 A 62 62 GLU C C 275 181.232 179.460 1.772 1 1 566 . 12 1 1 A 62 62 GLU CA C 275 60.190 60.002 0.188 1 1 567 . 12 1 1 A 62 62 GLU CB C 275 28.990 29.357 -0.367 1 1 569 . 12 1 1 A 62 62 GLU N N 275 123.787 120.507 3.280 1 1 570 . 12 1 1 A 63 63 GLU H H 276 7.698 8.581 -0.883 1 1 571 . 12 1 1 A 63 63 GLU HA H 276 3.871 4.016 -0.145 1 1 575 . 12 1 1 A 63 63 GLU C C 276 176.721 177.232 -0.511 1 1 576 . 12 1 1 A 63 63 GLU CA C 276 58.821 58.673 0.148 1 1 577 . 12 1 1 A 63 63 GLU CB C 276 29.251 28.332 0.919 1 1 579 . 12 1 1 A 63 63 GLU N N 276 120.707 118.128 2.579 1 1 580 . 12 1 1 A 64 64 LEU H H 277 6.708 7.466 -0.758 1 1 581 . 12 1 1 A 64 64 LEU HA H 277 4.148 4.006 0.142 1 1 589 . 12 1 1 A 64 64 LEU C C 277 174.571 175.808 -1.237 1 1 590 . 12 1 1 A 64 64 LEU CA C 277 54.060 54.523 -0.463 1 1 594 . 12 1 1 A 64 64 LEU N N 277 115.451 119.196 -3.745 1 1 595 . 12 1 1 A 65 65 HIS H H 278 7.388 7.976 -0.588 1 1 596 . 12 1 1 A 65 65 HIS HA H 278 4.259 4.056 0.203 1 1 599 . 12 1 1 A 65 65 HIS C C 278 174.571 174.198 0.373 1 1 600 . 12 1 1 A 65 65 HIS CA C 278 57.737 57.127 0.610 1 1 601 . 12 1 1 A 65 65 HIS CB C 278 26.020 26.908 -0.888 1 1 602 . 12 1 1 A 65 65 HIS N N 278 107.287 115.653 -8.366 1 1 603 . 12 1 1 A 66 66 PHE H H 279 8.554 7.525 1.029 1 1 604 . 12 1 1 A 66 66 PHE HA H 279 4.462 4.392 0.070 1 1 610 . 12 1 1 A 66 66 PHE C C 279 174.258 175.508 -1.250 1 1 611 . 12 1 1 A 66 66 PHE CA C 279 58.032 57.978 0.054 1 1 612 . 12 1 1 A 66 66 PHE CB C 279 39.809 39.462 0.347 1 1 616 . 12 1 1 A 66 66 PHE N N 279 117.992 119.166 -1.174 1 1 617 . 12 1 1 A 67 67 GLU H H 280 8.403 8.580 -0.177 1 1 618 . 12 1 1 A 67 67 GLU HA H 280 4.631 4.274 0.357 1 1 621 . 12 1 1 A 67 67 GLU C C 280 174.640 175.273 -0.633 1 1 622 . 12 1 1 A 67 67 GLU CA C 280 55.467 57.175 -1.708 1 1 623 . 12 1 1 A 67 67 GLU CB C 280 30.671 30.069 0.602 1 1 625 . 12 1 1 A 67 67 GLU N N 280 120.980 124.158 -3.178 1 1 626 . 12 1 1 A 68 68 ILE H H 281 8.988 8.659 0.329 1 1 627 . 12 1 1 A 68 68 ILE HA H 281 4.491 4.929 -0.438 1 1 636 . 12 1 1 A 68 68 ILE C C 281 176.177 174.841 1.336 1 1 637 . 12 1 1 A 68 68 ILE CA C 281 59.688 59.143 0.545 1 1 638 . 12 1 1 A 68 68 ILE CB C 281 35.090 42.141 -7.051 1 1 642 . 12 1 1 A 68 68 ILE N N 281 127.994 127.673 0.321 1 1 643 . 12 1 1 A 69 69 LYS H H 282 8.559 8.639 -0.080 1 1 644 . 12 1 1 A 69 69 LYS HA H 282 4.981 5.038 -0.057 1 1 645 . 12 1 1 A 69 69 LYS CA C 282 50.465 53.419 -2.954 1 1 646 . 12 1 1 A 69 69 LYS CB C 282 32.762 33.301 -0.539 1 1 649 . 12 1 1 A 69 69 LYS N N 282 126.350 126.619 -0.269 1 1 650 . 12 1 1 A 70 70 PRO HA H 283 5.133 4.804 0.329 1 1 651 . 12 1 1 A 70 70 PRO C C 283 176.378 175.822 0.556 1 1 652 . 12 1 1 A 70 70 PRO CA C 283 62.027 62.356 -0.329 1 1 653 . 12 1 1 A 70 70 PRO CB C 283 32.856 29.496 3.360 1 1 655 . 12 1 1 A 71 71 HIS H H 284 8.967 8.608 0.359 1 1 656 . 12 1 1 A 71 71 HIS HA H 284 4.465 4.886 -0.421 1 1 660 . 12 1 1 A 71 71 HIS C C 284 172.714 174.067 -1.353 1 1 661 . 12 1 1 A 71 71 HIS CA C 284 55.994 55.631 0.363 1 1 662 . 12 1 1 A 71 71 HIS CB C 284 33.678 29.416 4.262 1 1 664 . 12 1 1 A 71 71 HIS N N 284 121.708 122.667 -0.959 1 1 665 . 12 1 1 A 72 72 ASP H H 285 8.625 8.847 -0.222 1 1 666 . 12 1 1 A 72 72 ASP HA H 285 5.695 5.133 0.562 1 1 669 . 12 1 1 A 72 72 ASP C C 285 175.881 175.181 0.700 1 1 670 . 12 1 1 A 72 72 ASP CA C 285 53.201 52.184 1.017 1 1 671 . 12 1 1 A 72 72 ASP CB C 285 43.758 43.758 0.000 1 1 672 . 12 1 1 A 72 72 ASP N N 285 122.941 124.778 -1.837 1 1 673 . 12 1 1 A 73 73 ASP H H 286 9.212 8.802 0.410 1 1 674 . 12 1 1 A 73 73 ASP HA H 286 4.263 4.108 0.155 1 1 676 . 12 1 1 A 73 73 ASP C C 286 174.368 174.692 -0.324 1 1 677 . 12 1 1 A 73 73 ASP CA C 286 56.488 55.188 1.300 1 1 678 . 12 1 1 A 73 73 ASP CB C 286 39.083 39.782 -0.699 1 1 679 . 12 1 1 A 73 73 ASP N N 286 119.175 119.789 -0.614 1 1 680 . 12 1 1 A 74 74 CYS H H 287 8.750 7.803 0.947 1 1 681 . 12 1 1 A 74 74 CYS HA H 287 4.854 5.132 -0.278 1 1 684 . 12 1 1 A 74 74 CYS C C 287 176.146 174.166 1.980 1 1 685 . 12 1 1 A 74 74 CYS CA C 287 58.552 57.812 0.740 1 1 686 . 12 1 1 A 74 74 CYS CB C 287 53.204 30.131 23.073 1 1 687 . 12 1 1 A 74 74 CYS N N 287 119.631 114.464 5.167 1 1 688 . 12 1 1 A 75 75 THR H H 288 8.535 8.790 -0.255 1 1 689 . 12 1 1 A 75 75 THR HA H 288 4.163 4.753 -0.590 1 1 694 . 12 1 1 A 75 75 THR C C 288 174.663 176.150 -1.487 1 1 695 . 12 1 1 A 75 75 THR CA C 288 61.353 60.990 0.363 1 1 696 . 12 1 1 A 75 75 THR CB C 288 70.100 71.148 -1.048 1 1 698 . 12 1 1 A 75 75 THR N N 288 115.998 115.846 0.152 1 1 699 . 12 1 1 A 76 76 VAL H H 289 8.083 8.870 -0.787 1 1 700 . 12 1 1 A 76 76 VAL HA H 289 3.414 3.696 -0.282 1 1 708 . 12 1 1 A 76 76 VAL C C 289 176.443 177.583 -1.140 1 1 709 . 12 1 1 A 76 76 VAL CA C 289 69.066 67.172 1.894 1 1 710 . 12 1 1 A 76 76 VAL CB C 289 30.361 31.782 -1.421 1 1 713 . 12 1 1 A 76 76 VAL N N 289 120.599 122.414 -1.815 1 1 714 . 12 1 1 A 77 77 GLU H H 290 9.095 8.029 1.066 1 1 715 . 12 1 1 A 77 77 GLU HA H 290 4.027 3.814 0.213 1 1 720 . 12 1 1 A 77 77 GLU C C 290 179.172 178.541 0.631 1 1 721 . 12 1 1 A 77 77 GLU CA C 290 59.831 59.142 0.689 1 1 722 . 12 1 1 A 77 77 GLU CB C 290 29.493 29.206 0.287 1 1 724 . 12 1 1 A 77 77 GLU N N 290 119.191 119.569 -0.378 1 1 725 . 12 1 1 A 78 78 GLN H H 291 7.523 7.778 -0.255 1 1 726 . 12 1 1 A 78 78 GLN HA H 291 4.079 4.182 -0.103 1 1 731 . 12 1 1 A 78 78 GLN C C 291 177.815 178.407 -0.592 1 1 732 . 12 1 1 A 78 78 GLN CA C 291 58.920 58.304 0.616 1 1 734 . 12 1 1 A 78 78 GLN N N 291 117.101 118.187 -1.086 1 1 735 . 12 1 1 A 79 79 ILE H H 292 8.368 7.983 0.385 1 1 736 . 12 1 1 A 79 79 ILE HA H 292 3.427 3.866 -0.439 1 1 746 . 12 1 1 A 79 79 ILE C C 292 177.133 178.029 -0.896 1 1 747 . 12 1 1 A 79 79 ILE CA C 292 67.132 62.992 4.140 1 1 748 . 12 1 1 A 79 79 ILE CB C 292 37.163 37.194 -0.031 1 1 752 . 12 1 1 A 79 79 ILE N N 292 120.006 120.846 -0.840 1 1 753 . 12 1 1 A 80 80 TYR H H 293 8.302 8.552 -0.250 1 1 754 . 12 1 1 A 80 80 TYR HA H 293 4.179 4.322 -0.143 1 1 759 . 12 1 1 A 80 80 TYR C C 293 178.907 177.956 0.951 1 1 760 . 12 1 1 A 80 80 TYR CA C 293 61.737 60.509 1.228 1 1 761 . 12 1 1 A 80 80 TYR CB C 293 37.201 38.046 -0.845 1 1 764 . 12 1 1 A 80 80 TYR N N 293 116.291 121.023 -4.732 1 1 765 . 12 1 1 A 81 81 GLU H H 294 8.170 8.510 -0.340 1 1 766 . 12 1 1 A 81 81 GLU HA H 294 4.036 4.245 -0.209 1 1 771 . 12 1 1 A 81 81 GLU C C 294 178.414 177.066 1.348 1 1 772 . 12 1 1 A 81 81 GLU CA C 294 59.768 57.917 1.851 1 1 773 . 12 1 1 A 81 81 GLU CB C 294 29.489 29.213 0.276 1 1 775 . 12 1 1 A 81 81 GLU N N 294 120.325 119.312 1.013 1 1 776 . 12 1 1 A 82 82 ILE H H 295 8.501 8.034 0.467 1 1 777 . 12 1 1 A 82 82 ILE HA H 295 3.675 3.900 -0.225 1 1 787 . 12 1 1 A 82 82 ILE C C 295 177.751 177.136 0.615 1 1 788 . 12 1 1 A 82 82 ILE CA C 295 65.288 62.171 3.117 1 1 789 . 12 1 1 A 82 82 ILE CB C 295 38.497 38.920 -0.423 1 1 793 . 12 1 1 A 82 82 ILE N N 295 120.434 117.652 2.782 1 1 794 . 12 1 1 A 83 83 LEU H H 296 8.508 7.485 1.023 1 1 795 . 12 1 1 A 83 83 LEU HA H 296 4.289 3.552 0.737 1 1 805 . 12 1 1 A 83 83 LEU C C 296 178.393 178.454 -0.061 1 1 806 . 12 1 1 A 83 83 LEU CA C 296 58.937 57.962 0.975 1 1 807 . 12 1 1 A 83 83 LEU CB C 296 39.626 41.653 -2.027 1 1 811 . 12 1 1 A 83 83 LEU N N 296 116.807 121.990 -5.183 1 1 812 . 12 1 1 A 84 84 LYS H H 297 8.048 7.849 0.199 1 1 813 . 12 1 1 A 84 84 LYS HA H 297 3.967 3.861 0.106 1 1 820 . 12 1 1 A 84 84 LYS C C 297 177.773 178.607 -0.834 1 1 821 . 12 1 1 A 84 84 LYS CA C 297 58.890 58.815 0.075 1 1 822 . 12 1 1 A 84 84 LYS CB C 297 31.169 31.565 -0.396 1 1 826 . 12 1 1 A 84 84 LYS N N 297 118.687 117.489 1.198 1 1 827 . 12 1 1 A 85 85 ILE H H 298 7.694 7.663 0.031 1 1 828 . 12 1 1 A 85 85 ILE HA H 298 3.456 3.622 -0.166 1 1 838 . 12 1 1 A 85 85 ILE C C 298 179.100 177.632 1.468 1 1 839 . 12 1 1 A 85 85 ILE CA C 298 65.307 64.795 0.512 1 1 840 . 12 1 1 A 85 85 ILE CB C 298 36.965 37.193 -0.228 1 1 844 . 12 1 1 A 85 85 ILE N N 298 118.157 120.867 -2.710 1 1 845 . 12 1 1 A 86 86 TYR H H 299 7.613 7.439 0.174 1 1 846 . 12 1 1 A 86 86 TYR HA H 299 4.103 4.345 -0.242 1 1 851 . 12 1 1 A 86 86 TYR C C 299 177.425 178.291 -0.866 1 1 852 . 12 1 1 A 86 86 TYR CA C 299 63.129 60.493 2.636 1 1 853 . 12 1 1 A 86 86 TYR CB C 299 38.745 37.775 0.970 1 1 856 . 12 1 1 A 86 86 TYR N N 299 115.499 120.227 -4.728 1 1 857 . 12 1 1 A 87 87 GLN H H 300 9.112 8.204 0.908 1 1 858 . 12 1 1 A 87 87 GLN HA H 300 3.977 4.179 -0.202 1 1 861 . 12 1 1 A 87 87 GLN C C 300 176.380 177.911 -1.531 1 1 862 . 12 1 1 A 87 87 GLN CA C 300 58.976 58.214 0.762 1 1 863 . 12 1 1 A 87 87 GLN CB C 300 28.819 28.622 0.197 1 1 865 . 12 1 1 A 87 87 GLN N N 300 125.039 117.374 7.665 1 1 866 . 12 1 1 A 88 88 LEU H H 301 7.536 7.716 -0.180 1 1 867 . 12 1 1 A 88 88 LEU HA H 301 4.309 4.104 0.205 1 1 877 . 12 1 1 A 88 88 LEU C C 301 177.129 179.244 -2.115 1 1 878 . 12 1 1 A 88 88 LEU CA C 301 55.142 57.326 -2.184 1 1 879 . 12 1 1 A 88 88 LEU CB C 301 41.809 41.144 0.665 1 1 883 . 12 1 1 A 88 88 LEU N N 301 115.623 121.517 -5.894 1 1 884 . 12 1 1 A 89 89 MET H H 302 7.025 8.038 -1.013 1 1 885 . 12 1 1 A 89 89 MET HA H 302 4.031 4.047 -0.016 1 1 893 . 12 1 1 A 89 89 MET C C 302 172.664 176.268 -3.604 1 1 894 . 12 1 1 A 89 89 MET CA C 302 55.513 59.056 -3.543 1 1 895 . 12 1 1 A 89 89 MET CB C 302 33.748 32.361 1.387 1 1 898 . 12 1 1 A 89 89 MET N N 302 120.789 118.952 1.837 1 1 899 . 12 1 1 A 90 90 ASP H H 303 8.056 8.210 -0.154 1 1 900 . 12 1 1 A 90 90 ASP HA H 303 4.746 4.271 0.475 1 1 903 . 12 1 1 A 90 90 ASP C C 303 177.139 175.526 1.613 1 1 904 . 12 1 1 A 90 90 ASP CA C 303 54.411 55.498 -1.087 1 1 905 . 12 1 1 A 90 90 ASP CB C 303 40.987 39.830 1.157 1 1 906 . 12 1 1 A 90 90 ASP N N 303 117.873 119.325 -1.452 1 1 907 . 12 1 1 A 91 91 HIS H H 304 9.371 8.133 1.238 1 1 908 . 12 1 1 A 91 91 HIS HA H 304 4.657 4.617 0.040 1 1 912 . 12 1 1 A 91 91 HIS C C 304 177.332 174.704 2.628 1 1 913 . 12 1 1 A 91 91 HIS CA C 304 56.031 54.891 1.140 1 1 914 . 12 1 1 A 91 91 HIS CB C 304 31.150 31.663 -0.513 1 1 916 . 12 1 1 A 91 91 HIS N N 304 126.666 116.509 10.157 1 1 917 . 12 1 1 A 92 92 SER H H 305 8.952 8.591 0.361 1 1 918 . 12 1 1 A 92 92 SER HA H 305 4.055 4.521 -0.466 1 1 921 . 12 1 1 A 92 92 SER CA C 305 63.687 57.086 6.601 1 1 922 . 12 1 1 A 92 92 SER CB C 305 62.694 64.006 -1.312 1 1 923 . 12 1 1 A 92 92 SER N N 305 118.610 116.974 1.636 1 1 924 . 12 1 1 A 93 93 ASN H H 306 8.745 7.875 0.870 1 1 925 . 12 1 1 A 93 93 ASN HA H 306 4.803 4.429 0.374 1 1 928 . 12 1 1 A 93 93 ASN C C 306 173.428 175.066 -1.638 1 1 929 . 12 1 1 A 93 93 ASN CA C 306 53.018 55.899 -2.881 1 1 930 . 12 1 1 A 93 93 ASN CB C 306 38.033 39.147 -1.114 1 1 931 . 12 1 1 A 93 93 ASN N N 306 116.257 119.599 -3.342 1 1 932 . 12 1 1 A 94 94 MET H H 307 7.942 7.741 0.201 1 1 933 . 12 1 1 A 94 94 MET HA H 307 4.683 4.754 -0.071 1 1 939 . 12 1 1 A 94 94 MET C C 307 174.640 175.317 -0.677 1 1 940 . 12 1 1 A 94 94 MET CA C 307 53.564 53.549 0.015 1 1 941 . 12 1 1 A 94 94 MET CB C 307 33.988 35.137 -1.149 1 1 944 . 12 1 1 A 94 94 MET N N 307 117.799 112.561 5.238 1 1 945 . 12 1 1 A 95 95 ASP H H 308 8.276 8.664 -0.388 1 1 946 . 12 1 1 A 95 95 ASP HA H 308 5.172 5.046 0.126 1 1 949 . 12 1 1 A 95 95 ASP C C 308 176.264 177.018 -0.754 1 1 950 . 12 1 1 A 95 95 ASP CA C 308 55.617 53.343 2.274 1 1 951 . 12 1 1 A 95 95 ASP CB C 308 45.114 41.950 3.164 1 1 952 . 12 1 1 A 95 95 ASP N N 308 119.567 120.802 -1.235 1 1 953 . 12 1 1 A 96 96 CYS H H 309 8.215 7.967 0.248 1 1 954 . 12 1 1 A 96 96 CYS HA H 309 4.680 4.621 0.059 1 1 957 . 12 1 1 A 96 96 CYS C C 309 170.157 174.819 -4.662 1 1 958 . 12 1 1 A 96 96 CYS CA C 309 57.203 58.108 -0.905 1 1 959 . 12 1 1 A 96 96 CYS CB C 309 52.974 26.106 26.868 1 1 960 . 12 1 1 A 96 96 CYS N N 309 118.264 117.251 1.013 1 1 961 . 12 1 1 A 97 97 PHE H H 310 8.108 7.960 0.148 1 1 962 . 12 1 1 A 97 97 PHE HA H 310 5.071 4.494 0.577 1 1 967 . 12 1 1 A 97 97 PHE C C 310 171.279 176.265 -4.986 1 1 968 . 12 1 1 A 97 97 PHE CA C 310 57.910 58.770 -0.860 1 1 969 . 12 1 1 A 97 97 PHE CB C 310 44.724 39.735 4.989 1 1 972 . 12 1 1 A 97 97 PHE N N 310 125.767 121.035 4.732 1 1 973 . 12 1 1 A 98 98 ILE H H 311 7.647 8.554 -0.907 1 1 974 . 12 1 1 A 98 98 ILE HA H 311 4.581 4.511 0.070 1 1 984 . 12 1 1 A 98 98 ILE C C 311 172.012 174.660 -2.648 1 1 985 . 12 1 1 A 98 98 ILE CA C 311 58.312 60.222 -1.910 1 1 986 . 12 1 1 A 98 98 ILE CB C 311 39.964 39.272 0.692 1 1 990 . 12 1 1 A 98 98 ILE N N 311 125.102 122.061 3.041 1 1 991 . 12 1 1 A 99 99 CYS H H 312 8.309 8.611 -0.302 1 1 992 . 12 1 1 A 99 99 CYS HA H 312 4.471 4.622 -0.151 1 1 993 . 12 1 1 A 99 99 CYS C C 312 171.965 173.250 -1.285 1 1 994 . 12 1 1 A 99 99 CYS CA C 312 56.347 57.072 -0.725 1 1 995 . 12 1 1 A 99 99 CYS CB C 312 51.093 26.872 24.221 1 1 996 . 12 1 1 A 99 99 CYS N N 312 124.548 126.286 -1.738 1 1 997 . 12 1 1 A 100 100 CYS H H 313 9.116 8.800 0.316 1 1 998 . 12 1 1 A 100 100 CYS HA H 313 5.880 5.050 0.830 1 1 1001 . 12 1 1 A 100 100 CYS C C 313 173.635 174.157 -0.522 1 1 1002 . 12 1 1 A 100 100 CYS CA C 313 55.906 57.602 -1.696 1 1 1003 . 12 1 1 A 100 100 CYS CB C 313 52.685 26.896 25.789 1 1 1004 . 12 1 1 A 100 100 CYS N N 313 127.015 124.202 2.813 1 1 1005 . 12 1 1 A 101 101 ILE H H 314 8.896 7.887 1.009 1 1 1006 . 12 1 1 A 101 101 ILE HA H 314 4.737 4.490 0.247 1 1 1016 . 12 1 1 A 101 101 ILE C C 314 172.277 176.286 -4.009 1 1 1017 . 12 1 1 A 101 101 ILE CA C 314 60.937 60.797 0.140 1 1 1018 . 12 1 1 A 101 101 ILE CB C 314 40.848 39.500 1.348 1 1 1022 . 12 1 1 A 101 101 ILE N N 314 121.994 125.638 -3.644 1 1 1023 . 12 1 1 A 102 102 LEU H H 315 8.951 8.781 0.170 1 1 1024 . 12 1 1 A 102 102 LEU HA H 315 5.285 4.404 0.881 1 1 1029 . 12 1 1 A 102 102 LEU C C 315 174.789 176.149 -1.360 1 1 1030 . 12 1 1 A 102 102 LEU CA C 315 52.489 57.223 -4.734 1 1 1031 . 12 1 1 A 102 102 LEU CB C 315 40.041 42.631 -2.590 1 1 1034 . 12 1 1 A 102 102 LEU N N 315 127.404 129.233 -1.829 1 1 1035 . 12 1 1 A 103 103 SER H H 316 9.096 7.726 1.370 1 1 1036 . 12 1 1 A 103 103 SER HA H 316 4.680 4.890 -0.210 1 1 1039 . 12 1 1 A 103 103 SER C C 316 174.555 172.546 2.009 1 1 1040 . 12 1 1 A 103 103 SER CA C 316 56.403 57.756 -1.353 1 1 1041 . 12 1 1 A 103 103 SER CB C 316 63.224 65.388 -2.164 1 1 1042 . 12 1 1 A 103 103 SER N N 316 113.273 113.155 0.118 1 1 1043 . 12 1 1 A 104 104 HIS H H 317 7.515 8.620 -1.105 1 1 1044 . 12 1 1 A 104 104 HIS HA H 317 5.214 5.112 0.102 1 1 1048 . 12 1 1 A 104 104 HIS C C 317 175.667 175.119 0.548 1 1 1049 . 12 1 1 A 104 104 HIS CA C 317 56.371 54.662 1.709 1 1 1050 . 12 1 1 A 104 104 HIS CB C 317 34.676 31.213 3.463 1 1 1052 . 12 1 1 A 104 104 HIS N N 317 114.740 118.712 -3.972 1 1 1053 . 12 1 1 A 105 105 GLY H H 318 8.368 8.946 -0.578 1 1 1054 . 12 1 1 A 105 105 GLY C C 318 169.470 171.838 -2.368 1 1 1055 . 12 1 1 A 105 105 GLY CA C 318 45.558 44.959 0.599 1 1 1056 . 12 1 1 A 105 105 GLY N N 318 107.330 111.126 -3.796 1 1 1057 . 12 1 1 A 106 106 ASP H H 319 7.943 8.363 -0.420 1 1 1058 . 12 1 1 A 106 106 ASP HA H 319 4.622 4.758 -0.136 1 1 1061 . 12 1 1 A 106 106 ASP C C 319 175.179 175.104 0.075 1 1 1062 . 12 1 1 A 106 106 ASP CA C 319 53.188 52.816 0.372 1 1 1063 . 12 1 1 A 106 106 ASP CB C 319 43.555 43.828 -0.273 1 1 1064 . 12 1 1 A 106 106 ASP N N 319 116.893 119.388 -2.495 1 1 1065 . 12 1 1 A 107 107 LYS H H 320 9.376 8.422 0.954 1 1 1066 . 12 1 1 A 107 107 LYS HA H 320 3.956 3.909 0.047 1 1 1075 . 12 1 1 A 107 107 LYS C C 320 176.864 177.670 -0.806 1 1 1076 . 12 1 1 A 107 107 LYS CA C 320 58.567 59.017 -0.450 1 1 1077 . 12 1 1 A 107 107 LYS CB C 320 30.568 32.406 -1.838 1 1 1081 . 12 1 1 A 107 107 LYS N N 320 122.539 121.873 0.666 1 1 1082 . 12 1 1 A 108 108 GLY H H 321 9.025 7.518 1.507 1 1 1083 . 12 1 1 A 108 108 GLY C C 321 173.633 172.980 0.653 1 1 1084 . 12 1 1 A 108 108 GLY CA C 321 45.491 45.735 -0.244 1 1 1085 . 12 1 1 A 108 108 GLY N N 321 111.919 104.244 7.675 1 1 1086 . 12 1 1 A 109 109 ILE H H 322 8.157 7.789 0.368 1 1 1087 . 12 1 1 A 109 109 ILE HA H 322 4.994 4.237 0.757 1 1 1097 . 12 1 1 A 109 109 ILE C C 322 174.524 175.047 -0.523 1 1 1098 . 12 1 1 A 109 109 ILE CA C 322 59.009 60.301 -1.292 1 1 1099 . 12 1 1 A 109 109 ILE CB C 322 43.375 39.948 3.427 1 1 1103 . 12 1 1 A 109 109 ILE N N 322 116.465 117.453 -0.988 1 1 1104 . 12 1 1 A 110 110 ILE H H 323 8.443 8.334 0.109 1 1 1105 . 12 1 1 A 110 110 ILE HA H 323 4.530 4.891 -0.361 1 1 1115 . 12 1 1 A 110 110 ILE C C 323 174.337 175.509 -1.172 1 1 1116 . 12 1 1 A 110 110 ILE CA C 323 58.547 59.804 -1.257 1 1 1117 . 12 1 1 A 110 110 ILE CB C 323 41.604 40.630 0.974 1 1 1121 . 12 1 1 A 110 110 ILE N N 323 116.661 121.963 -5.302 1 1 1122 . 12 1 1 A 111 111 TYR H H 324 8.584 8.939 -0.355 1 1 1123 . 12 1 1 A 111 111 TYR HA H 324 5.557 4.611 0.946 1 1 1128 . 12 1 1 A 111 111 TYR C C 324 178.528 175.245 3.283 1 1 1129 . 12 1 1 A 111 111 TYR CA C 324 56.571 57.990 -1.419 1 1 1130 . 12 1 1 A 111 111 TYR CB C 324 39.984 39.720 0.264 1 1 1133 . 12 1 1 A 111 111 TYR N N 324 119.472 124.190 -4.718 1 1 1134 . 12 1 1 A 112 112 GLY H H 325 8.522 8.428 0.094 1 1 1135 . 12 1 1 A 112 112 GLY C C 325 174.755 172.842 1.913 1 1 1136 . 12 1 1 A 112 112 GLY CA C 325 43.145 45.854 -2.709 1 1 1137 . 12 1 1 A 112 112 GLY N N 325 107.078 107.321 -0.243 1 1 1138 . 12 1 1 A 113 113 THR H H 326 8.245 8.254 -0.009 1 1 1139 . 12 1 1 A 113 113 THR HA H 326 3.186 4.535 -1.349 1 1 1144 . 12 1 1 A 113 113 THR C C 326 173.264 175.217 -1.953 1 1 1145 . 12 1 1 A 113 113 THR CA C 326 64.857 63.803 1.054 1 1 1146 . 12 1 1 A 113 113 THR CB C 326 66.749 69.376 -2.627 1 1 1148 . 12 1 1 A 113 113 THR N N 326 113.146 117.631 -4.485 1 1 1149 . 12 1 1 A 114 114 ASP H H 327 8.801 8.609 0.192 1 1 1150 . 12 1 1 A 114 114 ASP HA H 327 4.099 4.431 -0.332 1 1 1153 . 12 1 1 A 114 114 ASP C C 327 176.262 177.714 -1.452 1 1 1154 . 12 1 1 A 114 114 ASP CA C 327 52.768 56.934 -4.166 1 1 1155 . 12 1 1 A 114 114 ASP CB C 327 39.312 40.772 -1.460 1 1 1156 . 12 1 1 A 114 114 ASP N N 327 112.026 119.380 -7.354 1 1 1157 . 12 1 1 A 115 115 GLY H H 328 8.462 8.000 0.462 1 1 1158 . 12 1 1 A 115 115 GLY HA2 H 328 4.010 3.973 0.037 1 1 1159 . 12 1 1 A 115 115 GLY HA3 H 328 4.010 3.994 0.016 1 1 1160 . 12 1 1 A 115 115 GLY C C 328 171.918 173.697 -1.779 1 1 1161 . 12 1 1 A 115 115 GLY CA C 328 45.463 46.804 -1.341 1 1 1162 . 12 1 1 A 115 115 GLY N N 328 107.749 107.211 0.538 1 1 1163 . 12 1 1 A 116 116 GLN H H 329 6.657 8.171 -1.514 1 1 1164 . 12 1 1 A 116 116 GLN HA H 329 4.441 4.438 0.003 1 1 1170 . 12 1 1 A 116 116 GLN C C 329 174.196 175.268 -1.072 1 1 1171 . 12 1 1 A 116 116 GLN CA C 329 55.204 55.841 -0.637 1 1 1172 . 12 1 1 A 116 116 GLN CB C 329 28.541 29.986 -1.445 1 1 1174 . 12 1 1 A 116 116 GLN N N 329 115.146 121.313 -6.167 1 1 1176 . 12 1 1 A 117 117 GLU H H 330 8.624 8.449 0.175 1 1 1177 . 12 1 1 A 117 117 GLU HA H 330 4.733 4.614 0.119 1 1 1178 . 12 1 1 A 117 117 GLU C C 330 175.357 175.659 -0.302 1 1 1179 . 12 1 1 A 117 117 GLU CA C 330 55.191 55.990 -0.799 1 1 1180 . 12 1 1 A 117 117 GLU CB C 330 32.586 30.257 2.329 1 1 1182 . 12 1 1 A 117 117 GLU N N 330 119.031 120.566 -1.535 1 1 1183 . 12 1 1 A 118 118 ALA H H 331 8.995 8.770 0.225 1 1 1184 . 12 1 1 A 118 118 ALA HA H 331 5.165 5.272 -0.107 1 1 1188 . 12 1 1 A 118 118 ALA C C 331 173.650 175.072 -1.422 1 1 1189 . 12 1 1 A 118 118 ALA CA C 331 48.343 49.685 -1.342 1 1 1190 . 12 1 1 A 118 118 ALA CB C 331 20.353 19.617 0.736 1 1 1191 . 12 1 1 A 118 118 ALA N N 331 123.550 127.841 -4.291 1 1 1192 . 12 1 1 A 119 119 PRO HA H 332 4.819 4.687 0.132 1 1 1193 . 12 1 1 A 119 119 PRO C C 332 177.819 178.036 -0.217 1 1 1194 . 12 1 1 A 119 119 PRO CA C 332 62.007 63.044 -1.037 1 1 1195 . 12 1 1 A 119 119 PRO CB C 332 32.081 31.768 0.313 1 1 1197 . 12 1 1 A 120 120 ILE H H 333 8.574 9.019 -0.445 1 1 1198 . 12 1 1 A 120 120 ILE HA H 333 3.278 4.087 -0.809 1 1 1206 . 12 1 1 A 120 120 ILE C C 333 177.316 177.422 -0.106 1 1 1207 . 12 1 1 A 120 120 ILE CA C 333 66.025 64.276 1.749 1 1 1208 . 12 1 1 A 120 120 ILE CB C 333 37.991 37.893 0.098 1 1 1212 . 12 1 1 A 120 120 ILE N N 333 126.740 126.101 0.639 1 1 1213 . 12 1 1 A 121 121 TYR H H 334 9.192 8.626 0.566 1 1 1214 . 12 1 1 A 121 121 TYR HA H 334 3.942 4.440 -0.498 1 1 1219 . 12 1 1 A 121 121 TYR C C 334 177.847 177.156 0.691 1 1 1220 . 12 1 1 A 121 121 TYR CA C 334 60.688 61.352 -0.664 1 1 1221 . 12 1 1 A 121 121 TYR CB C 334 38.803 38.012 0.791 1 1 1224 . 12 1 1 A 121 121 TYR N N 334 117.479 121.378 -3.899 1 1 1225 . 12 1 1 A 122 122 GLU H H 335 7.178 8.402 -1.224 1 1 1226 . 12 1 1 A 122 122 GLU HA H 335 3.751 4.479 -0.728 1 1 1228 . 12 1 1 A 122 122 GLU C C 335 176.427 178.436 -2.009 1 1 1229 . 12 1 1 A 122 122 GLU CA C 335 58.378 57.352 1.026 1 1 1230 . 12 1 1 A 122 122 GLU CB C 335 29.477 30.426 -0.949 1 1 1232 . 12 1 1 A 122 122 GLU N N 335 115.885 119.964 -4.079 1 1 1233 . 12 1 1 A 123 123 LEU H H 336 7.440 7.734 -0.294 1 1 1234 . 12 1 1 A 123 123 LEU HA H 336 4.123 3.872 0.251 1 1 1244 . 12 1 1 A 123 123 LEU C C 336 177.925 179.431 -1.506 1 1 1245 . 12 1 1 A 123 123 LEU CA C 336 56.646 57.916 -1.270 1 1 1246 . 12 1 1 A 123 123 LEU CB C 336 40.661 41.823 -1.162 1 1 1250 . 12 1 1 A 123 123 LEU N N 336 115.934 121.058 -5.124 1 1 1251 . 12 1 1 A 124 124 THR H H 337 8.009 8.429 -0.420 1 1 1252 . 12 1 1 A 124 124 THR HA H 337 3.597 4.338 -0.741 1 1 1257 . 12 1 1 A 124 124 THR C C 337 177.568 176.987 0.581 1 1 1258 . 12 1 1 A 124 124 THR CA C 337 64.110 64.707 -0.597 1 1 1259 . 12 1 1 A 124 124 THR CB C 337 67.603 68.677 -1.074 1 1 1261 . 12 1 1 A 124 124 THR N N 337 107.827 109.179 -1.352 1 1 1262 . 12 1 1 A 125 125 SER H H 338 7.435 8.170 -0.735 1 1 1263 . 12 1 1 A 125 125 SER HA H 338 3.723 4.228 -0.505 1 1 1266 . 12 1 1 A 125 125 SER C C 338 174.040 175.499 -1.459 1 1 1267 . 12 1 1 A 125 125 SER CA C 338 60.514 60.822 -0.308 1 1 1268 . 12 1 1 A 125 125 SER CB C 338 62.391 62.958 -0.567 1 1 1269 . 12 1 1 A 125 125 SER N N 338 112.670 117.324 -4.654 1 1 1270 . 12 1 1 A 126 126 GLN H H 339 7.071 7.640 -0.569 1 1 1271 . 12 1 1 A 126 126 GLN HA H 339 3.850 4.158 -0.308 1 1 1276 . 12 1 1 A 126 126 GLN C C 339 173.915 176.997 -3.082 1 1 1277 . 12 1 1 A 126 126 GLN CA C 339 56.106 56.867 -0.761 1 1 1278 . 12 1 1 A 126 126 GLN CB C 339 27.028 28.933 -1.905 1 1 1280 . 12 1 1 A 126 126 GLN N N 339 117.347 119.464 -2.117 1 1 1281 . 12 1 1 A 127 127 PHE H H 340 7.355 7.967 -0.612 1 1 1282 . 12 1 1 A 127 127 PHE HA H 340 4.515 4.622 -0.107 1 1 1285 . 12 1 1 A 127 127 PHE C C 340 175.241 175.857 -0.616 1 1 1286 . 12 1 1 A 127 127 PHE CA C 340 57.914 58.126 -0.212 1 1 1287 . 12 1 1 A 127 127 PHE CB C 340 38.496 38.919 -0.423 1 1 1288 . 12 1 1 A 127 127 PHE N N 340 110.412 115.955 -5.543 1 1 1289 . 12 1 1 A 128 128 THR H H 341 6.785 7.631 -0.846 1 1 1290 . 12 1 1 A 128 128 THR HA H 341 4.294 4.339 -0.045 1 1 1295 . 12 1 1 A 128 128 THR C C 341 174.727 176.207 -1.480 1 1 1296 . 12 1 1 A 128 128 THR CA C 341 62.016 63.498 -1.482 1 1 1297 . 12 1 1 A 128 128 THR CB C 341 69.757 69.221 0.536 1 1 1299 . 12 1 1 A 128 128 THR N N 341 107.455 115.296 -7.841 1 1 1300 . 12 1 1 A 129 129 GLY H H 342 10.506 8.829 1.677 1 1 1301 . 12 1 1 A 129 129 GLY HA2 H 342 3.841 3.915 -0.074 1 1 1302 . 12 1 1 A 129 129 GLY HA3 H 342 3.648 3.928 -0.280 1 1 1303 . 12 1 1 A 129 129 GLY C C 342 175.631 174.679 0.952 1 1 1304 . 12 1 1 A 129 129 GLY CA C 342 47.056 46.664 0.392 1 1 1305 . 12 1 1 A 129 129 GLY N N 342 111.023 114.130 -3.107 1 1 1306 . 12 1 1 A 130 130 LEU H H 343 8.003 7.918 0.085 1 1 1307 . 12 1 1 A 130 130 LEU HA H 343 4.135 4.417 -0.282 1 1 1317 . 12 1 1 A 130 130 LEU C C 343 178.627 177.204 1.423 1 1 1318 . 12 1 1 A 130 130 LEU CA C 343 56.606 55.047 1.559 1 1 1319 . 12 1 1 A 130 130 LEU CB C 343 42.399 42.238 0.161 1 1 1323 . 12 1 1 A 130 130 LEU N N 343 116.983 119.821 -2.838 1 1 1324 . 12 1 1 A 131 131 LYS H H 344 6.961 7.999 -1.038 1 1 1325 . 12 1 1 A 131 131 LYS HA H 344 4.001 4.451 -0.450 1 1 1333 . 12 1 1 A 131 131 LYS C C 344 176.224 176.729 -0.505 1 1 1334 . 12 1 1 A 131 131 LYS CA C 344 57.534 56.625 0.909 1 1 1335 . 12 1 1 A 131 131 LYS CB C 344 33.404 35.112 -1.708 1 1 1339 . 12 1 1 A 131 131 LYS N N 344 116.907 115.993 0.914 1 1 1340 . 12 1 1 A 132 132 CYS H H 345 8.564 8.165 0.399 1 1 1341 . 12 1 1 A 132 132 CYS HA H 345 4.930 4.861 0.069 1 1 1344 . 12 1 1 A 132 132 CYS C C 345 172.261 172.806 -0.545 1 1 1345 . 12 1 1 A 132 132 CYS CA C 345 56.566 56.818 -0.252 1 1 1346 . 12 1 1 A 132 132 CYS CB C 345 49.011 27.784 21.227 1 1 1347 . 12 1 1 A 132 132 CYS N N 345 117.718 117.352 0.366 1 1 1348 . 12 1 1 A 133 133 PRO HA H 346 4.719 4.445 0.274 1 1 1354 . 12 1 1 A 133 133 PRO C C 346 179.500 178.173 1.327 1 1 1355 . 12 1 1 A 133 133 PRO CA C 346 62.681 64.470 -1.789 1 1 1356 . 12 1 1 A 133 133 PRO CB C 346 34.366 32.070 2.296 1 1 1359 . 12 1 1 A 134 134 SER H H 347 8.896 8.512 0.384 1 1 1360 . 12 1 1 A 134 134 SER HA H 347 4.415 4.170 0.245 1 1 1363 . 12 1 1 A 134 134 SER C C 347 174.434 175.303 -0.869 1 1 1364 . 12 1 1 A 134 134 SER CA C 347 60.509 61.557 -1.048 1 1 1365 . 12 1 1 A 134 134 SER CB C 347 62.207 62.985 -0.778 1 1 1366 . 12 1 1 A 134 134 SER N N 347 112.882 113.767 -0.885 1 1 1367 . 12 1 1 A 135 135 LEU H H 348 7.549 7.961 -0.412 1 1 1368 . 12 1 1 A 135 135 LEU HA H 348 4.466 4.675 -0.209 1 1 1378 . 12 1 1 A 135 135 LEU C C 348 176.458 176.974 -0.516 1 1 1379 . 12 1 1 A 135 135 LEU CA C 348 53.787 54.167 -0.380 1 1 1380 . 12 1 1 A 135 135 LEU CB C 348 44.189 43.319 0.870 1 1 1384 . 12 1 1 A 135 135 LEU N N 348 118.501 118.448 0.053 1 1 1385 . 12 1 1 A 136 136 ALA H H 349 7.776 7.756 0.020 1 1 1386 . 12 1 1 A 136 136 ALA HA H 349 4.056 4.560 -0.504 1 1 1390 . 12 1 1 A 136 136 ALA C C 349 178.620 178.890 -0.270 1 1 1391 . 12 1 1 A 136 136 ALA CA C 349 54.406 52.049 2.357 1 1 1392 . 12 1 1 A 136 136 ALA CB C 349 17.934 20.004 -2.070 1 1 1393 . 12 1 1 A 136 136 ALA N N 349 125.801 123.225 2.576 1 1 1394 . 12 1 1 A 137 137 GLY H H 350 9.371 8.037 1.334 1 1 1395 . 12 1 1 A 137 137 GLY C C 350 173.026 173.947 -0.921 1 1 1396 . 12 1 1 A 137 137 GLY CA C 350 45.132 45.300 -0.168 1 1 1397 . 12 1 1 A 137 137 GLY N N 350 111.181 106.470 4.711 1 1 1398 . 12 1 1 A 138 138 LYS H H 351 8.038 7.506 0.532 1 1 1399 . 12 1 1 A 138 138 LYS HA H 351 4.660 4.605 0.055 1 1 1400 . 12 1 1 A 138 138 LYS C C 351 172.078 173.848 -1.770 1 1 1401 . 12 1 1 A 138 138 LYS CA C 351 52.728 53.302 -0.574 1 1 1402 . 12 1 1 A 138 138 LYS CB C 351 32.069 32.928 -0.859 1 1 1404 . 12 1 1 A 138 138 LYS N N 351 119.821 120.137 -0.316 1 1 1405 . 12 1 1 A 139 139 PRO HA H 352 4.300 4.708 -0.408 1 1 1412 . 12 1 1 A 139 139 PRO C C 352 173.954 175.314 -1.360 1 1 1413 . 12 1 1 A 139 139 PRO CA C 352 62.595 62.226 0.369 1 1 1414 . 12 1 1 A 139 139 PRO CB C 352 31.399 33.021 -1.622 1 1 1417 . 12 1 1 A 140 140 LYS H H 353 8.188 8.928 -0.740 1 1 1418 . 12 1 1 A 140 140 LYS HA H 353 4.610 4.797 -0.187 1 1 1419 . 12 1 1 A 140 140 LYS C C 353 173.494 173.822 -0.328 1 1 1420 . 12 1 1 A 140 140 LYS CA C 353 55.344 55.799 -0.455 1 1 1421 . 12 1 1 A 140 140 LYS CB C 353 32.527 36.450 -3.923 1 1 1423 . 12 1 1 A 140 140 LYS N N 353 123.304 120.671 2.633 1 1 1424 . 12 1 1 A 141 141 VAL H H 354 8.344 8.350 -0.006 1 1 1425 . 12 1 1 A 141 141 VAL HA H 354 4.533 4.911 -0.378 1 1 1433 . 12 1 1 A 141 141 VAL C C 354 172.277 174.616 -2.339 1 1 1434 . 12 1 1 A 141 141 VAL CA C 354 60.596 61.071 -0.475 1 1 1435 . 12 1 1 A 141 141 VAL CB C 354 33.580 34.172 -0.592 1 1 1438 . 12 1 1 A 141 141 VAL N N 354 122.550 122.717 -0.167 1 1 1439 . 12 1 1 A 142 142 PHE H H 355 8.985 8.468 0.517 1 1 1440 . 12 1 1 A 142 142 PHE HA H 355 5.436 5.114 0.322 1 1 1441 . 12 1 1 A 142 142 PHE C C 355 173.666 173.625 0.041 1 1 1442 . 12 1 1 A 142 142 PHE CA C 355 54.968 55.931 -0.963 1 1 1443 . 12 1 1 A 142 142 PHE CB C 355 42.877 42.074 0.803 1 1 1444 . 12 1 1 A 142 142 PHE N N 355 123.850 127.548 -3.698 1 1 1445 . 12 1 1 A 143 143 PHE H H 356 8.584 9.073 -0.489 1 1 1446 . 12 1 1 A 143 143 PHE HA H 356 5.934 5.311 0.623 1 1 1449 . 12 1 1 A 143 143 PHE C C 356 174.526 175.113 -0.587 1 1 1450 . 12 1 1 A 143 143 PHE CA C 356 55.909 57.579 -1.670 1 1 1451 . 12 1 1 A 143 143 PHE CB C 356 39.923 40.601 -0.678 1 1 1454 . 12 1 1 A 143 143 PHE N N 356 119.801 125.767 -5.966 1 1 1455 . 12 1 1 A 144 144 ILE H H 357 9.020 9.283 -0.263 1 1 1456 . 12 1 1 A 144 144 ILE HA H 357 5.040 5.188 -0.148 1 1 1466 . 12 1 1 A 144 144 ILE C C 357 173.323 175.497 -2.174 1 1 1467 . 12 1 1 A 144 144 ILE CA C 357 59.479 60.117 -0.638 1 1 1468 . 12 1 1 A 144 144 ILE CB C 357 40.898 41.132 -0.234 1 1 1472 . 12 1 1 A 144 144 ILE N N 357 121.194 124.247 -3.053 1 1 1473 . 12 1 1 A 145 145 GLN H H 358 8.856 8.924 -0.068 1 1 1474 . 12 1 1 A 145 145 GLN HA H 358 4.670 5.300 -0.630 1 1 1475 . 12 1 1 A 145 145 GLN C C 358 171.591 174.525 -2.934 1 1 1476 . 12 1 1 A 145 145 GLN CA C 358 53.648 54.454 -0.806 1 1 1477 . 12 1 1 A 145 145 GLN CB C 358 30.373 32.901 -2.528 1 1 1479 . 12 1 1 A 145 145 GLN N N 358 128.880 123.469 5.411 1 1 1480 . 12 1 1 A 146 146 ALA H H 359 8.418 8.889 -0.471 1 1 1481 . 12 1 1 A 146 146 ALA HA H 359 5.247 4.971 0.276 1 1 1485 . 12 1 1 A 146 146 ALA C C 359 175.319 176.770 -1.451 1 1 1486 . 12 1 1 A 146 146 ALA CA C 359 50.243 51.103 -0.860 1 1 1487 . 12 1 1 A 146 146 ALA CB C 359 18.786 21.264 -2.478 1 1 1488 . 12 1 1 A 146 146 ALA N N 359 128.349 123.704 4.645 1 1 1489 . 12 1 1 A 147 147 ALA H H 360 8.161 8.700 -0.539 1 1 1490 . 12 1 1 A 147 147 ALA HA H 360 4.343 4.580 -0.237 1 1 1494 . 12 1 1 A 147 147 ALA C C 360 177.238 177.135 0.103 1 1 1495 . 12 1 1 A 147 147 ALA CA C 360 52.078 52.098 -0.020 1 1 1496 . 12 1 1 A 147 147 ALA CB C 360 20.003 20.694 -0.691 1 1 1497 . 12 1 1 A 147 147 ALA N N 360 123.005 124.797 -1.792 1 1 1498 . 12 1 1 A 148 148 GLN H H 361 8.461 7.545 0.916 1 1 1499 . 12 1 1 A 148 148 GLN HA H 361 4.663 4.783 -0.120 1 1 1504 . 12 1 1 A 148 148 GLN C C 361 176.333 174.735 1.598 1 1 1505 . 12 1 1 A 148 148 GLN CA C 361 55.760 54.972 0.788 1 1 1506 . 12 1 1 A 148 148 GLN CB C 361 29.937 32.458 -2.521 1 1 1508 . 12 1 1 A 148 148 GLN N N 361 120.296 116.792 3.504 1 1 1509 . 12 1 1 A 149 149 GLY H H 362 8.631 8.601 0.030 1 1 1510 . 12 1 1 A 149 149 GLY HA2 H 362 3.858 4.089 -0.231 1 1 1511 . 12 1 1 A 149 149 GLY HA3 H 362 3.858 4.091 -0.233 1 1 1512 . 12 1 1 A 149 149 GLY C C 362 172.022 172.846 -0.824 1 1 1513 . 12 1 1 A 149 149 GLY CA C 362 44.969 44.639 0.330 1 1 1514 . 12 1 1 A 149 149 GLY N N 362 109.782 112.199 -2.417 1 1 1515 . 12 1 1 A 150 150 ASP H H 363 7.566 8.504 -0.938 1 1 1516 . 12 1 1 A 150 150 ASP HA H 363 4.661 4.522 0.139 1 1 1519 . 12 1 1 A 150 150 ASP C C 363 174.446 176.404 -1.958 1 1 1520 . 12 1 1 A 150 150 ASP CA C 363 57.776 54.520 3.256 1 1 1521 . 12 1 1 A 150 150 ASP CB C 363 39.423 41.072 -1.649 1 1 1522 . 12 1 1 A 150 150 ASP N N 363 118.182 119.656 -1.474 1 1 1523 . 12 1 1 A 153 153 GLN HA H 366 4.665 4.472 0.193 1 1 1530 . 12 1 1 A 153 153 GLN CA C 366 53.779 55.236 -1.457 1 1 1531 . 12 1 1 A 153 153 GLN CB C 366 28.988 29.403 -0.415 1 1 1534 . 12 1 1 A 155 155 GLY HA2 H 368 3.899 4.169 -0.270 1 1 1535 . 12 1 1 A 155 155 GLY HA3 H 368 3.899 4.175 -0.276 1 1 1536 . 12 1 1 A 155 155 GLY CA C 368 45.013 44.306 0.707 1 1 1537 . 12 1 1 A 156 156 ILE H H 369 7.871 8.519 -0.648 1 1 1538 . 12 1 1 A 156 156 ILE HA H 369 4.428 4.835 -0.407 1 1 1548 . 12 1 1 A 156 156 ILE C C 369 174.196 175.581 -1.385 1 1 1549 . 12 1 1 A 156 156 ILE CA C 369 58.676 57.296 1.380 1 1 1550 . 12 1 1 A 156 156 ILE CB C 369 38.516 40.270 -1.754 1 1 1554 . 12 1 1 A 156 156 ILE N N 369 120.958 116.099 4.859 1 1 1555 . 12 1 1 A 157 157 PRO HA H 370 4.386 4.410 -0.024 1 1 1562 . 12 1 1 A 157 157 PRO C C 370 176.218 176.954 -0.736 1 1 1563 . 12 1 1 A 157 157 PRO CA C 370 63.431 64.436 -1.005 1 1 1564 . 12 1 1 A 157 157 PRO CB C 370 31.913 31.782 0.131 1 1 1567 . 12 1 1 A 158 158 VAL H H 371 8.137 7.987 0.150 1 1 1568 . 12 1 1 A 158 158 VAL HA H 371 4.089 4.039 0.050 1 1 1576 . 12 1 1 A 158 158 VAL C C 371 175.904 176.740 -0.836 1 1 1577 . 12 1 1 A 158 158 VAL CA C 371 62.121 62.502 -0.381 1 1 1578 . 12 1 1 A 158 158 VAL CB C 371 32.958 31.878 1.080 1 1 1581 . 12 1 1 A 158 158 VAL N N 371 119.640 115.991 3.649 1 1 1582 . 12 1 1 A 159 159 GLU H H 372 8.523 7.423 1.100 1 1 1583 . 12 1 1 A 159 159 GLU HA H 372 4.345 4.097 0.248 1 1 1588 . 12 1 1 A 159 159 GLU C C 372 176.068 176.125 -0.057 1 1 1589 . 12 1 1 A 159 159 GLU CA C 372 56.474 58.179 -1.705 1 1 1590 . 12 1 1 A 159 159 GLU CB C 372 30.078 31.079 -1.001 1 1 1592 . 12 1 1 A 159 159 GLU N N 372 123.765 121.508 2.257 1 1 1593 . 12 1 1 A 160 160 THR H H 373 8.096 7.609 0.487 1 1 1594 . 12 1 1 A 160 160 THR HA H 373 4.311 4.236 0.075 1 1 1599 . 12 1 1 A 160 160 THR C C 373 173.701 173.549 0.152 1 1 1600 . 12 1 1 A 160 160 THR CA C 373 61.845 59.635 2.210 1 1 1601 . 12 1 1 A 160 160 THR CB C 373 69.760 71.391 -1.631 1 1 1603 . 12 1 1 A 160 160 THR N N 373 114.143 108.873 5.270 1 1 1604 . 12 1 1 A 161 161 ASP H H 374 8.387 8.958 -0.571 1 1 1605 . 12 1 1 A 161 161 ASP HA H 374 4.625 4.548 0.077 1 1 1608 . 12 1 1 A 161 161 ASP C C 374 175.806 176.429 -0.623 1 1 1609 . 12 1 1 A 161 161 ASP CA C 374 54.478 56.469 -1.991 1 1 1610 . 12 1 1 A 161 161 ASP CB C 374 41.096 40.835 0.261 1 1 1611 . 12 1 1 A 161 161 ASP N N 374 122.070 121.905 0.165 1 1 1612 . 12 1 1 A 162 162 SER H H 375 8.175 7.889 0.286 1 1 1613 . 12 1 1 A 162 162 SER HA H 375 4.385 4.649 -0.264 1 1 1616 . 12 1 1 A 162 162 SER C C 375 174.169 174.138 0.031 1 1 1617 . 12 1 1 A 162 162 SER CA C 375 58.631 56.599 2.032 1 1 1618 . 12 1 1 A 162 162 SER CB C 375 63.814 64.330 -0.516 1 1 1619 . 12 1 1 A 162 162 SER N N 375 115.346 111.026 4.320 1 1 1620 . 12 1 1 A 163 163 GLU H H 376 8.424 9.002 -0.578 1 1 1621 . 12 1 1 A 163 163 GLU HA H 376 4.263 4.204 0.059 1 1 1626 . 12 1 1 A 163 163 GLU C C 376 175.959 178.261 -2.302 1 1 1627 . 12 1 1 A 163 163 GLU CA C 376 56.567 58.301 -1.734 1 1 1628 . 12 1 1 A 163 163 GLU CB C 376 30.044 28.634 1.410 1 1 1630 . 12 1 1 A 163 163 GLU N N 376 122.034 123.205 -1.171 1 1 1631 . 12 1 1 A 164 164 GLU H H 377 8.298 8.121 0.177 1 1 1632 . 12 1 1 A 164 164 GLU HA H 377 4.224 4.158 0.066 1 1 1637 . 12 1 1 A 164 164 GLU C C 377 175.816 176.551 -0.735 1 1 1638 . 12 1 1 A 164 164 GLU CA C 377 56.489 59.406 -2.917 1 1 1639 . 12 1 1 A 164 164 GLU CB C 377 30.220 29.572 0.648 1 1 1641 . 12 1 1 A 164 164 GLU N N 377 120.980 119.044 1.936 1 1 1642 . 12 1 1 A 165 165 GLN H H 378 8.340 7.883 0.457 1 1 1643 . 12 1 1 A 165 165 GLN HA H 378 4.563 4.715 -0.152 1 1 1645 . 12 1 1 A 165 165 GLN C C 378 173.510 175.019 -1.509 1 1 1646 . 12 1 1 A 165 165 GLN CA C 378 53.530 53.349 0.181 1 1 1647 . 12 1 1 A 165 165 GLN CB C 378 28.816 29.258 -0.442 1 1 1649 . 12 1 1 A 165 165 GLN N N 378 121.693 118.114 3.579 1 1 1650 . 12 1 1 A 166 166 PRO HA H 379 4.381 4.687 -0.306 1 1 1657 . 12 1 1 A 166 166 PRO C C 379 176.081 176.348 -0.267 1 1 1658 . 12 1 1 A 166 166 PRO CA C 379 63.260 62.539 0.721 1 1 1659 . 12 1 1 A 166 166 PRO CB C 379 32.010 29.060 2.950 1 1 1662 . 12 1 1 A 167 167 TYR H H 380 8.116 8.852 -0.736 1 1 1663 . 12 1 1 A 167 167 TYR HA H 380 4.513 4.499 0.014 1 1 1668 . 12 1 1 A 167 167 TYR C C 380 174.992 175.682 -0.690 1 1 1669 . 12 1 1 A 167 167 TYR CA C 380 57.699 60.710 -3.011 1 1 1670 . 12 1 1 A 167 167 TYR CB C 380 38.344 39.788 -1.444 1 1 1673 . 12 1 1 A 167 167 TYR N N 380 119.531 121.989 -2.458 1 1 1674 . 12 1 1 A 168 168 LEU H H 381 7.953 8.004 -0.051 1 1 1675 . 12 1 1 A 168 168 LEU HA H 381 4.267 5.042 -0.775 1 1 1685 . 12 1 1 A 168 168 LEU C C 381 176.162 175.941 0.221 1 1 1686 . 12 1 1 A 168 168 LEU CA C 381 54.808 53.340 1.468 1 1 1687 . 12 1 1 A 168 168 LEU CB C 381 42.735 44.370 -1.635 1 1 1691 . 12 1 1 A 168 168 LEU N N 381 124.133 116.328 7.805 1 1 1692 . 12 1 1 A 169 169 GLU H H 382 8.190 8.936 -0.746 1 1 1693 . 12 1 1 A 169 169 GLU HA H 382 4.167 5.029 -0.862 1 1 1698 . 12 1 1 A 169 169 GLU C C 382 175.881 175.032 0.849 1 1 1699 . 12 1 1 A 169 169 GLU CA C 382 56.655 55.152 1.503 1 1 1700 . 12 1 1 A 169 169 GLU CB C 382 30.058 34.086 -4.028 1 1 1702 . 12 1 1 A 169 169 GLU N N 382 121.131 121.210 -0.079 1 1 1703 . 12 1 1 A 170 170 MET H H 383 8.214 8.528 -0.314 1 1 1704 . 12 1 1 A 170 170 MET HA H 383 4.377 4.927 -0.550 1 1 1709 . 12 1 1 A 170 170 MET C C 383 175.132 173.964 1.168 1 1 1710 . 12 1 1 A 170 170 MET CA C 383 55.606 53.869 1.737 1 1 1711 . 12 1 1 A 170 170 MET CB C 383 33.091 35.674 -2.583 1 1 1713 . 12 1 1 A 170 170 MET N N 383 120.601 118.147 2.454 1 1 1714 . 12 1 1 A 171 171 ASP H H 384 8.358 8.848 -0.490 1 1 1715 . 12 1 1 A 171 171 ASP HA H 384 4.575 5.086 -0.511 1 1 1718 . 12 1 1 A 171 171 ASP C C 384 175.966 174.975 0.991 1 1 1719 . 12 1 1 A 171 171 ASP CA C 384 53.741 52.618 1.123 1 1 1720 . 12 1 1 A 171 171 ASP CB C 384 40.571 44.224 -3.653 1 1 1721 . 12 1 1 A 171 171 ASP N N 384 121.104 118.340 2.764 1 1 1722 . 12 1 1 A 172 172 LEU H H 385 8.285 8.776 -0.491 1 1 1723 . 12 1 1 A 172 172 LEU HA H 385 4.305 4.481 -0.176 1 1 1733 . 12 1 1 A 172 172 LEU C C 385 177.140 176.545 0.595 1 1 1734 . 12 1 1 A 172 172 LEU CA C 385 55.122 54.856 0.266 1 1 1735 . 12 1 1 A 172 172 LEU CB C 385 41.851 41.643 0.208 1 1 1739 . 12 1 1 A 172 172 LEU N N 385 123.115 121.024 2.091 1 1 1740 . 12 1 1 A 173 173 SER H H 386 8.290 8.938 -0.648 1 1 1741 . 12 1 1 A 173 173 SER N N 386 115.101 119.394 -4.293 1 1 1742 . 12 1 1 A 176 176 GLN HA H 389 4.383 4.660 -0.277 1 1 1749 . 12 1 1 A 176 176 GLN CA C 389 55.991 55.127 0.864 1 1 1750 . 12 1 1 A 176 176 GLN CB C 389 29.280 32.181 -2.901 1 1 1753 . 12 1 1 A 177 177 THR H H 390 6.958 9.081 -2.123 1 1 1754 . 12 1 1 A 177 177 THR HA H 390 3.970 3.912 0.058 1 1 1759 . 12 1 1 A 177 177 THR C C 390 172.764 174.701 -1.937 1 1 1760 . 12 1 1 A 177 177 THR CA C 390 62.221 66.746 -4.525 1 1 1761 . 12 1 1 A 177 177 THR CB C 390 69.382 68.819 0.563 1 1 1763 . 12 1 1 A 177 177 THR N N 390 115.463 119.735 -4.272 1 1 1764 . 12 1 1 A 178 178 ARG H H 391 7.873 8.075 -0.202 1 1 1765 . 12 1 1 A 178 178 ARG C C 391 174.982 175.537 -0.555 1 1 1766 . 12 1 1 A 178 178 ARG CA C 391 55.266 57.219 -1.953 1 1 1767 . 12 1 1 A 178 178 ARG CB C 391 31.052 29.126 1.926 1 1 1769 . 12 1 1 A 178 178 ARG N N 391 122.116 121.463 0.653 1 1 1770 . 12 1 1 A 179 179 TYR H H 392 8.812 8.092 0.720 1 1 1771 . 12 1 1 A 179 179 TYR HA H 392 4.621 4.417 0.204 1 1 1776 . 12 1 1 A 179 179 TYR C C 392 174.337 174.906 -0.569 1 1 1777 . 12 1 1 A 179 179 TYR CA C 392 57.444 58.203 -0.759 1 1 1778 . 12 1 1 A 179 179 TYR CB C 392 40.623 39.373 1.250 1 1 1781 . 12 1 1 A 179 179 TYR N N 392 118.296 116.415 1.881 1 1 1782 . 12 1 1 A 180 180 ILE H H 393 7.254 8.608 -1.354 1 1 1783 . 12 1 1 A 180 180 ILE HA H 393 4.610 4.337 0.273 1 1 1793 . 12 1 1 A 180 180 ILE C C 393 171.654 175.114 -3.460 1 1 1794 . 12 1 1 A 180 180 ILE CA C 393 56.916 57.295 -0.379 1 1 1795 . 12 1 1 A 180 180 ILE CB C 393 39.736 41.347 -1.611 1 1 1799 . 12 1 1 A 180 180 ILE N N 393 108.609 122.564 -13.955 1 1 1800 . 12 1 1 A 181 181 PRO HA H 394 4.709 4.362 0.347 1 1 1807 . 12 1 1 A 181 181 PRO C C 394 173.910 177.072 -3.162 1 1 1808 . 12 1 1 A 181 181 PRO CA C 394 62.144 64.029 -1.885 1 1 1809 . 12 1 1 A 181 181 PRO CB C 394 32.527 31.863 0.664 1 1 1812 . 12 1 1 A 182 182 ASP H H 395 8.296 8.048 0.248 1 1 1813 . 12 1 1 A 182 182 ASP HA H 395 4.665 4.206 0.459 1 1 1816 . 12 1 1 A 182 182 ASP C C 395 175.120 174.962 0.158 1 1 1817 . 12 1 1 A 182 182 ASP CA C 395 52.455 55.070 -2.615 1 1 1818 . 12 1 1 A 182 182 ASP CB C 395 38.742 39.382 -0.640 1 1 1819 . 12 1 1 A 182 182 ASP N N 395 120.042 118.419 1.623 1 1 1820 . 12 1 1 A 183 183 GLU H H 396 7.651 8.130 -0.479 1 1 1821 . 12 1 1 A 183 183 GLU HA H 396 4.492 4.461 0.031 1 1 1826 . 12 1 1 A 183 183 GLU C C 396 173.702 175.179 -1.477 1 1 1827 . 12 1 1 A 183 183 GLU CA C 396 54.897 56.407 -1.510 1 1 1828 . 12 1 1 A 183 183 GLU CB C 396 32.509 31.460 1.049 1 1 1830 . 12 1 1 A 183 183 GLU N N 396 117.840 118.591 -0.751 1 1 1831 . 12 1 1 A 184 184 ALA H H 397 8.365 8.651 -0.286 1 1 1832 . 12 1 1 A 184 184 ALA HA H 397 4.394 4.812 -0.418 1 1 1836 . 12 1 1 A 184 184 ALA C C 397 175.829 176.409 -0.580 1 1 1837 . 12 1 1 A 184 184 ALA CA C 397 52.770 50.395 2.375 1 1 1838 . 12 1 1 A 184 184 ALA CB C 397 20.682 23.024 -2.342 1 1 1839 . 12 1 1 A 184 184 ALA N N 397 121.613 121.619 -0.006 1 1 1840 . 12 1 1 A 185 185 ASP H H 398 7.245 8.976 -1.731 1 1 1841 . 12 1 1 A 185 185 ASP HA H 398 4.092 4.113 -0.021 1 1 1844 . 12 1 1 A 185 185 ASP C C 398 172.730 174.192 -1.462 1 1 1845 . 12 1 1 A 185 185 ASP CA C 398 56.144 55.002 1.142 1 1 1846 . 12 1 1 A 185 185 ASP CB C 398 39.841 40.011 -0.170 1 1 1847 . 12 1 1 A 185 185 ASP N N 398 105.829 119.820 -13.991 1 1 1848 . 12 1 1 A 186 186 PHE H H 399 8.467 7.353 1.114 1 1 1849 . 12 1 1 A 186 186 PHE HA H 399 5.486 5.097 0.389 1 1 1852 . 12 1 1 A 186 186 PHE C C 399 176.218 174.459 1.759 1 1 1853 . 12 1 1 A 186 186 PHE CA C 399 57.959 56.227 1.732 1 1 1854 . 12 1 1 A 186 186 PHE CB C 399 44.529 43.075 1.454 1 1 1855 . 12 1 1 A 186 186 PHE N N 399 116.177 118.159 -1.982 1 1 1856 . 12 1 1 A 187 187 LEU H H 400 8.964 8.866 0.098 1 1 1857 . 12 1 1 A 187 187 LEU HA H 400 4.963 4.948 0.015 1 1 1867 . 12 1 1 A 187 187 LEU C C 400 171.747 175.676 -3.929 1 1 1868 . 12 1 1 A 187 187 LEU CA C 400 55.422 54.399 1.023 1 1 1869 . 12 1 1 A 187 187 LEU CB C 400 45.641 44.342 1.299 1 1 1873 . 12 1 1 A 187 187 LEU N N 400 121.383 124.949 -3.566 1 1 1874 . 12 1 1 A 188 188 LEU H H 401 9.312 8.943 0.369 1 1 1875 . 12 1 1 A 188 188 LEU HA H 401 5.580 5.029 0.551 1 1 1885 . 12 1 1 A 188 188 LEU C C 401 173.853 175.776 -1.923 1 1 1886 . 12 1 1 A 188 188 LEU CA C 401 53.421 53.839 -0.418 1 1 1887 . 12 1 1 A 188 188 LEU CB C 401 45.403 43.937 1.466 1 1 1891 . 12 1 1 A 188 188 LEU N N 401 128.151 123.978 4.173 1 1 1892 . 12 1 1 A 189 189 GLY H H 402 9.415 9.180 0.235 1 1 1893 . 12 1 1 A 189 189 GLY HA2 H 402 4.670 4.020 0.650 1 1 1894 . 12 1 1 A 189 189 GLY HA3 H 402 3.663 4.126 -0.463 1 1 1895 . 12 1 1 A 189 189 GLY C C 402 171.014 173.909 -2.895 1 1 1896 . 12 1 1 A 189 189 GLY CA C 402 44.967 47.412 -2.445 1 1 1897 . 12 1 1 A 189 189 GLY N N 402 115.881 110.256 5.625 1 1 1898 . 12 1 1 A 190 190 MET H H 403 8.118 7.746 0.372 1 1 1899 . 12 1 1 A 190 190 MET HA H 403 5.314 4.625 0.689 1 1 1907 . 12 1 1 A 190 190 MET C C 403 173.744 175.735 -1.991 1 1 1908 . 12 1 1 A 190 190 MET CA C 403 53.284 55.533 -2.249 1 1 1909 . 12 1 1 A 190 190 MET CB C 403 36.614 33.702 2.912 1 1 1912 . 12 1 1 A 190 190 MET N N 403 122.165 119.527 2.638 1 1 1934 . 12 1 1 A 203 203 ALA H H 416 8.076 8.653 -0.577 1 1 1935 . 12 1 1 A 203 203 ALA HA H 416 4.228 4.638 -0.410 1 1 1939 . 12 1 1 A 203 203 ALA C C 416 176.895 175.927 0.968 1 1 1940 . 12 1 1 A 203 203 ALA CA C 416 52.743 50.644 2.099 1 1 1941 . 12 1 1 A 203 203 ALA CB C 416 18.723 19.296 -0.573 1 1 1942 . 12 1 1 A 203 203 ALA N N 416 119.053 127.109 -8.056 1 1 1943 . 12 1 1 A 204 204 GLU H H 417 7.784 8.530 -0.746 1 1 1944 . 12 1 1 A 204 204 GLU HA H 417 4.350 4.812 -0.462 1 1 1949 . 12 1 1 A 204 204 GLU C C 417 175.678 175.596 0.082 1 1 1950 . 12 1 1 A 204 204 GLU CA C 417 55.650 55.322 0.328 1 1 1951 . 12 1 1 A 204 204 GLU CB C 417 30.312 31.131 -0.819 1 1 1953 . 12 1 1 A 204 204 GLU N N 417 116.458 120.198 -3.740 1 1 1954 . 12 1 1 A 205 205 GLY H H 418 7.910 8.181 -0.271 1 1 1955 . 12 1 1 A 205 205 GLY CA C 418 43.804 45.301 -1.497 1 1 1956 . 12 1 1 A 205 205 GLY N N 418 108.024 112.046 -4.022 1 1 1957 . 12 1 1 A 206 206 THR H H 419 8.364 7.398 0.966 1 1 1958 . 12 1 1 A 206 206 THR HA H 419 4.316 4.534 -0.218 1 1 1963 . 12 1 1 A 206 206 THR CA C 419 64.682 59.205 5.477 1 1 1964 . 12 1 1 A 206 206 THR CB C 419 69.304 71.406 -2.102 1 1 1966 . 12 1 1 A 206 206 THR N N 419 115.417 109.928 5.489 1 1 1967 . 12 1 1 A 207 207 TRP HA H 420 4.116 4.635 -0.519 1 1 1976 . 12 1 1 A 207 207 TRP CA C 420 61.178 56.888 4.290 1 1 1977 . 12 1 1 A 207 207 TRP CB C 420 28.670 28.934 -0.264 1 1 1984 . 12 1 1 A 209 209 ILE H H 422 6.744 7.946 -1.202 1 1 1985 . 12 1 1 A 209 209 ILE HA H 422 3.349 4.217 -0.868 1 1 1993 . 12 1 1 A 209 209 ILE C C 422 178.143 177.558 0.585 1 1 1994 . 12 1 1 A 209 209 ILE CA C 422 60.865 61.929 -1.064 1 1 1995 . 12 1 1 A 209 209 ILE CB C 422 34.371 39.265 -4.894 1 1 1999 . 12 1 1 A 209 209 ILE N N 422 113.211 118.480 -5.269 1 1 2000 . 12 1 1 A 210 210 GLN H H 423 8.252 8.239 0.013 1 1 2001 . 12 1 1 A 210 210 GLN HA H 423 3.548 4.040 -0.492 1 1 2006 . 12 1 1 A 210 210 GLN C C 423 179.079 177.189 1.890 1 1 2007 . 12 1 1 A 210 210 GLN CA C 423 58.795 58.987 -0.192 1 1 2008 . 12 1 1 A 210 210 GLN CB C 423 26.704 28.388 -1.684 1 1 2010 . 12 1 1 A 210 210 GLN N N 423 116.455 121.724 -5.269 1 1 2011 . 12 1 1 A 211 211 SER H H 424 8.162 7.928 0.234 1 1 2012 . 12 1 1 A 211 211 SER HA H 424 3.961 4.488 -0.527 1 1 2015 . 12 1 1 A 211 211 SER C C 424 179.150 174.765 4.385 1 1 2016 . 12 1 1 A 211 211 SER CA C 424 61.850 58.771 3.079 1 1 2017 . 12 1 1 A 211 211 SER CB C 424 62.214 64.099 -1.885 1 1 2018 . 12 1 1 A 211 211 SER N N 424 115.041 112.764 2.277 1 1 2019 . 12 1 1 A 212 212 LEU H H 425 8.061 8.080 -0.019 1 1 2020 . 12 1 1 A 212 212 LEU HA H 425 3.540 4.092 -0.552 1 1 2030 . 12 1 1 A 212 212 LEU C C 425 177.566 178.261 -0.695 1 1 2031 . 12 1 1 A 212 212 LEU CA C 425 58.548 57.877 0.671 1 1 2032 . 12 1 1 A 212 212 LEU CB C 425 41.665 41.722 -0.057 1 1 2036 . 12 1 1 A 212 212 LEU N N 425 124.082 122.351 1.731 1 1 2037 . 12 1 1 A 213 213 CYS H H 426 7.940 8.099 -0.159 1 1 2038 . 12 1 1 A 213 213 CYS HA H 426 3.628 3.991 -0.363 1 1 2041 . 12 1 1 A 213 213 CYS C C 426 175.741 176.798 -1.057 1 1 2042 . 12 1 1 A 213 213 CYS CA C 426 65.159 63.248 1.911 1 1 2043 . 12 1 1 A 213 213 CYS CB C 426 49.251 27.326 21.925 1 1 2044 . 12 1 1 A 213 213 CYS N N 426 114.351 117.117 -2.766 1 1 2045 . 12 1 1 A 214 214 GLN H H 427 7.510 8.213 -0.703 1 1 2046 . 12 1 1 A 214 214 GLN HA H 427 3.772 4.077 -0.305 1 1 2051 . 12 1 1 A 214 214 GLN C C 427 177.769 178.131 -0.362 1 1 2052 . 12 1 1 A 214 214 GLN CA C 427 59.019 57.878 1.141 1 1 2053 . 12 1 1 A 214 214 GLN CB C 427 27.718 27.828 -0.110 1 1 2055 . 12 1 1 A 214 214 GLN N N 427 117.399 118.723 -1.324 1 1 2056 . 12 1 1 A 215 215 SER H H 428 7.906 7.903 0.003 1 1 2057 . 12 1 1 A 215 215 SER HA H 428 4.173 4.174 -0.001 1 1 2060 . 12 1 1 A 215 215 SER CA C 428 62.653 62.565 0.088 1 1 2061 . 12 1 1 A 215 215 SER CB C 428 62.889 63.099 -0.210 1 1 2062 . 12 1 1 A 215 215 SER N N 428 113.799 118.358 -4.559 1 1 2063 . 12 1 1 A 216 216 LEU H H 429 8.505 7.948 0.557 1 1 2064 . 12 1 1 A 216 216 LEU HA H 429 4.156 3.882 0.274 1 1 2071 . 12 1 1 A 216 216 LEU C C 429 178.848 178.346 0.502 1 1 2072 . 12 1 1 A 216 216 LEU CA C 429 58.053 58.124 -0.071 1 1 2073 . 12 1 1 A 216 216 LEU CB C 429 41.222 41.127 0.095 1 1 2076 . 12 1 1 A 216 216 LEU N N 429 121.357 120.049 1.308 1 1 2077 . 12 1 1 A 217 217 ARG H H 430 7.972 8.425 -0.453 1 1 2078 . 12 1 1 A 217 217 ARG HA H 430 3.850 3.844 0.006 1 1 2085 . 12 1 1 A 217 217 ARG C C 430 178.237 177.622 0.615 1 1 2086 . 12 1 1 A 217 217 ARG CA C 430 59.472 58.880 0.592 1 1 2087 . 12 1 1 A 217 217 ARG CB C 430 30.256 29.837 0.419 1 1 2090 . 12 1 1 A 217 217 ARG N N 430 116.018 121.084 -5.066 1 1 2091 . 12 1 1 A 218 218 GLU H H 431 7.583 8.119 -0.536 1 1 2092 . 12 1 1 A 218 218 GLU HA H 431 4.119 4.156 -0.037 1 1 2096 . 12 1 1 A 218 218 GLU C C 431 178.377 177.799 0.578 1 1 2097 . 12 1 1 A 218 218 GLU CA C 431 58.207 58.458 -0.251 1 1 2098 . 12 1 1 A 218 218 GLU CB C 431 30.548 30.037 0.511 1 1 2100 . 12 1 1 A 218 218 GLU N N 431 113.645 118.421 -4.776 1 1 2101 . 12 1 1 A 219 219 ARG H H 432 8.621 7.696 0.925 1 1 2102 . 12 1 1 A 219 219 ARG HA H 432 4.180 4.554 -0.374 1 1 2103 . 12 1 1 A 219 219 ARG C C 432 178.455 176.499 1.956 1 1 2104 . 12 1 1 A 219 219 ARG CA C 432 58.428 55.317 3.111 1 1 2105 . 12 1 1 A 219 219 ARG CB C 432 30.936 30.507 0.429 1 1 2107 . 12 1 1 A 219 219 ARG N N 432 114.272 116.895 -2.623 1 1 2108 . 12 1 1 A 220 220 CYS H H 433 8.828 7.963 0.865 1 1 2109 . 12 1 1 A 220 220 CYS HA H 433 4.464 4.185 0.279 1 1 2112 . 12 1 1 A 220 220 CYS C C 433 176.708 175.996 0.712 1 1 2113 . 12 1 1 A 220 220 CYS CA C 433 66.312 63.553 2.759 1 1 2114 . 12 1 1 A 220 220 CYS CB C 433 47.095 26.742 20.353 1 1 2115 . 12 1 1 A 220 220 CYS N N 433 120.012 118.602 1.410 1 1 2116 . 12 1 1 A 221 221 PRO HA H 434 4.463 4.736 -0.273 1 1 2123 . 12 1 1 A 221 221 PRO C C 434 177.064 175.762 1.302 1 1 2124 . 12 1 1 A 221 221 PRO CA C 434 65.717 62.518 3.199 1 1 2125 . 12 1 1 A 221 221 PRO CB C 434 31.169 29.503 1.666 1 1 2128 . 12 1 1 A 222 222 ARG H H 435 6.904 8.696 -1.792 1 1 2129 . 12 1 1 A 222 222 ARG HA H 435 4.331 4.576 -0.245 1 1 2136 . 12 1 1 A 222 222 ARG C C 435 176.536 177.166 -0.630 1 1 2137 . 12 1 1 A 222 222 ARG CA C 435 55.901 56.292 -0.391 1 1 2138 . 12 1 1 A 222 222 ARG CB C 435 30.116 32.861 -2.745 1 1 2141 . 12 1 1 A 222 222 ARG N N 435 112.486 120.945 -8.459 1 1 2142 . 12 1 1 A 223 223 GLY H H 436 8.160 8.238 -0.078 1 1 2143 . 12 1 1 A 223 223 GLY HA2 H 436 4.237 3.956 0.281 1 1 2144 . 12 1 1 A 223 223 GLY HA3 H 436 3.643 3.974 -0.331 1 1 2145 . 12 1 1 A 223 223 GLY C C 436 173.338 174.110 -0.772 1 1 2146 . 12 1 1 A 223 223 GLY CA C 436 43.988 45.095 -1.107 1 1 2147 . 12 1 1 A 223 223 GLY N N 436 105.931 108.216 -2.285 1 1 2148 . 12 1 1 A 224 224 ASP H H 437 6.891 8.059 -1.168 1 1 2149 . 12 1 1 A 224 224 ASP HA H 437 4.500 4.632 -0.132 1 1 2151 . 12 1 1 A 224 224 ASP C C 437 173.806 175.777 -1.971 1 1 2152 . 12 1 1 A 224 224 ASP CA C 437 54.576 54.793 -0.217 1 1 2153 . 12 1 1 A 224 224 ASP CB C 437 40.588 41.823 -1.235 1 1 2154 . 12 1 1 A 224 224 ASP N N 437 119.342 121.976 -2.634 1 1 2155 . 12 1 1 A 225 225 ASP H H 438 8.054 8.765 -0.711 1 1 2156 . 12 1 1 A 225 225 ASP HA H 438 4.912 4.829 0.083 1 1 2159 . 12 1 1 A 225 225 ASP C C 438 175.631 176.752 -1.121 1 1 2160 . 12 1 1 A 225 225 ASP CA C 438 52.579 54.692 -2.113 1 1 2161 . 12 1 1 A 225 225 ASP CB C 438 42.616 41.544 1.072 1 1 2162 . 12 1 1 A 225 225 ASP N N 438 117.877 120.569 -2.692 1 1 2163 . 12 1 1 A 226 226 ILE H H 439 9.101 8.797 0.304 1 1 2164 . 12 1 1 A 226 226 ILE HA H 439 3.621 4.061 -0.440 1 1 2174 . 12 1 1 A 226 226 ILE C C 439 176.146 178.135 -1.989 1 1 2175 . 12 1 1 A 226 226 ILE CA C 439 62.602 63.879 -1.277 1 1 2176 . 12 1 1 A 226 226 ILE CB C 439 36.530 38.301 -1.771 1 1 2180 . 12 1 1 A 226 226 ILE N N 439 118.352 123.393 -5.041 1 1 2181 . 12 1 1 A 227 227 LEU H H 440 7.814 7.771 0.043 1 1 2182 . 12 1 1 A 227 227 LEU HA H 440 3.918 4.290 -0.372 1 1 2192 . 12 1 1 A 227 227 LEU C C 440 179.397 177.983 1.414 1 1 2193 . 12 1 1 A 227 227 LEU CA C 440 58.566 56.806 1.760 1 1 2194 . 12 1 1 A 227 227 LEU CB C 440 40.819 41.691 -0.872 1 1 2198 . 12 1 1 A 227 227 LEU N N 440 119.906 120.447 -0.541 1 1 2199 . 12 1 1 A 228 228 THR H H 441 7.665 8.069 -0.404 1 1 2200 . 12 1 1 A 228 228 THR HA H 441 4.289 4.680 -0.391 1 1 2205 . 12 1 1 A 228 228 THR C C 441 179.489 175.838 3.651 1 1 2206 . 12 1 1 A 228 228 THR CA C 441 61.837 63.275 -1.438 1 1 2207 . 12 1 1 A 228 228 THR CB C 441 69.979 69.972 0.007 1 1 2209 . 12 1 1 A 228 228 THR N N 441 120.011 112.241 7.770 1 1 2210 . 12 1 1 A 229 229 ILE H H 442 7.807 7.456 0.351 1 1 2211 . 12 1 1 A 229 229 ILE HA H 442 3.300 3.714 -0.414 1 1 2221 . 12 1 1 A 229 229 ILE C C 442 177.728 177.834 -0.106 1 1 2222 . 12 1 1 A 229 229 ILE CA C 442 66.069 64.860 1.209 1 1 2223 . 12 1 1 A 229 229 ILE CB C 442 38.260 37.703 0.557 1 1 2227 . 12 1 1 A 229 229 ILE N N 442 119.411 121.448 -2.037 1 1 2228 . 12 1 1 A 230 230 LEU H H 443 8.530 7.926 0.604 1 1 2229 . 12 1 1 A 230 230 LEU HA H 443 3.958 4.073 -0.115 1 1 2239 . 12 1 1 A 230 230 LEU C C 443 178.689 178.606 0.083 1 1 2240 . 12 1 1 A 230 230 LEU CA C 443 57.697 57.702 -0.005 1 1 2241 . 12 1 1 A 230 230 LEU CB C 443 42.191 41.535 0.656 1 1 2245 . 12 1 1 A 230 230 LEU N N 443 116.186 118.090 -1.904 1 1 2246 . 12 1 1 A 231 231 THR H H 444 8.008 7.833 0.175 1 1 2247 . 12 1 1 A 231 231 THR HA H 444 4.153 4.264 -0.111 1 1 2252 . 12 1 1 A 231 231 THR C C 444 175.208 176.198 -0.990 1 1 2253 . 12 1 1 A 231 231 THR CA C 444 65.327 64.330 0.997 1 1 2254 . 12 1 1 A 231 231 THR CB C 444 69.718 68.922 0.796 1 1 2256 . 12 1 1 A 231 231 THR N N 444 112.075 112.253 -0.178 1 1 2257 . 12 1 1 A 232 232 GLU H H 445 7.717 8.930 -1.213 1 1 2258 . 12 1 1 A 232 232 GLU HA H 445 4.186 4.206 -0.020 1 1 2259 . 12 1 1 A 232 232 GLU C C 445 177.156 178.203 -1.047 1 1 2260 . 12 1 1 A 232 232 GLU CA C 445 57.891 58.581 -0.690 1 1 2261 . 12 1 1 A 232 232 GLU CB C 445 28.836 29.130 -0.294 1 1 2263 . 12 1 1 A 232 232 GLU N N 445 120.074 120.705 -0.631 1 1 2294 . 12 1 1 A 252 252 GLN H H 465 8.586 8.616 -0.030 1 1 2295 . 12 1 1 A 252 252 GLN HA H 465 4.689 4.999 -0.310 1 1 2296 . 12 1 1 A 252 252 GLN C C 465 174.446 174.046 0.400 1 1 2297 . 12 1 1 A 252 252 GLN CA C 465 53.682 52.974 0.708 1 1 2298 . 12 1 1 A 252 252 GLN CB C 465 28.537 29.355 -0.818 1 1 2300 . 12 1 1 A 252 252 GLN N N 465 121.782 120.521 1.261 1 1 2301 . 12 1 1 A 253 253 PRO HA H 466 4.902 4.733 0.169 1 1 2302 . 12 1 1 A 253 253 PRO C C 466 174.937 175.573 -0.636 1 1 2303 . 12 1 1 A 253 253 PRO CA C 466 63.075 62.761 0.314 1 1 2304 . 12 1 1 A 253 253 PRO CB C 466 32.384 32.890 -0.506 1 1 2307 . 12 1 1 A 254 254 THR H H 467 8.556 8.610 -0.054 1 1 2308 . 12 1 1 A 254 254 THR HA H 467 4.659 4.512 0.147 1 1 2313 . 12 1 1 A 254 254 THR C C 467 172.995 173.923 -0.928 1 1 2314 . 12 1 1 A 254 254 THR CA C 467 61.740 61.710 0.030 1 1 2315 . 12 1 1 A 254 254 THR CB C 467 70.195 69.069 1.126 1 1 2317 . 12 1 1 A 254 254 THR N N 467 115.754 116.828 -1.074 1 1 2318 . 12 1 1 A 255 255 PHE H H 468 8.560 8.284 0.276 1 1 2319 . 12 1 1 A 255 255 PHE HA H 468 5.502 5.412 0.090 1 1 2322 . 12 1 1 A 255 255 PHE C C 468 173.198 174.651 -1.453 1 1 2323 . 12 1 1 A 255 255 PHE CA C 468 56.283 55.557 0.726 1 1 2324 . 12 1 1 A 255 255 PHE CB C 468 43.426 42.537 0.889 1 1 2325 . 12 1 1 A 255 255 PHE N N 468 120.481 123.061 -2.580 1 1 2326 . 12 1 1 A 256 256 THR H H 469 9.702 8.592 1.110 1 1 2327 . 12 1 1 A 256 256 THR HA H 469 4.662 4.681 -0.019 1 1 2332 . 12 1 1 A 256 256 THR C C 469 176.561 174.435 2.126 1 1 2333 . 12 1 1 A 256 256 THR CA C 469 59.948 61.154 -1.206 1 1 2334 . 12 1 1 A 256 256 THR CB C 469 69.145 69.975 -0.830 1 1 2336 . 12 1 1 A 256 256 THR N N 469 108.601 112.613 -4.012 1 1 2337 . 12 1 1 A 257 257 LEU H H 470 7.235 7.621 -0.386 1 1 2338 . 12 1 1 A 257 257 LEU HA H 470 4.401 4.238 0.163 1 1 2348 . 12 1 1 A 257 257 LEU C C 470 175.975 176.903 -0.928 1 1 2349 . 12 1 1 A 257 257 LEU CA C 470 55.492 54.968 0.524 1 1 2350 . 12 1 1 A 257 257 LEU CB C 470 41.850 42.143 -0.293 1 1 2354 . 12 1 1 A 257 257 LEU N N 470 120.802 125.160 -4.358 1 1 2355 . 12 1 1 A 258 258 ARG H H 471 8.228 8.752 -0.524 1 1 2356 . 12 1 1 A 258 258 ARG HA H 471 4.631 4.417 0.214 1 1 2363 . 12 1 1 A 258 258 ARG C C 471 174.114 176.044 -1.930 1 1 2364 . 12 1 1 A 258 258 ARG CA C 471 55.071 56.584 -1.513 1 1 2365 . 12 1 1 A 258 258 ARG CB C 471 32.470 30.801 1.669 1 1 2368 . 12 1 1 A 258 258 ARG N N 471 118.883 123.428 -4.545 1 1 2369 . 12 1 1 A 259 259 LYS H H 472 7.217 7.799 -0.582 1 1 2370 . 12 1 1 A 259 259 LYS HA H 472 4.260 4.757 -0.497 1 1 2379 . 12 1 1 A 259 259 LYS C C 472 174.571 174.764 -0.193 1 1 2380 . 12 1 1 A 259 259 LYS CA C 472 53.269 54.452 -1.183 1 1 2381 . 12 1 1 A 259 259 LYS CB C 472 36.332 34.571 1.761 1 1 2385 . 12 1 1 A 259 259 LYS N N 472 116.031 117.889 -1.858 1 1 2386 . 12 1 1 A 260 260 LYS H H 473 8.357 8.463 -0.106 1 1 2387 . 12 1 1 A 260 260 LYS HA H 473 4.297 4.596 -0.299 1 1 2396 . 12 1 1 A 260 260 LYS C C 473 174.137 175.498 -1.361 1 1 2397 . 12 1 1 A 260 260 LYS CA C 473 57.258 55.625 1.633 1 1 2398 . 12 1 1 A 260 260 LYS CB C 473 33.561 33.468 0.093 1 1 2402 . 12 1 1 A 260 260 LYS N N 473 119.377 122.595 -3.218 1 1 2403 . 12 1 1 A 261 261 LEU H H 474 9.288 8.893 0.395 1 1 2404 . 12 1 1 A 261 261 LEU HA H 474 5.048 4.917 0.131 1 1 2414 . 12 1 1 A 261 261 LEU C C 474 172.558 175.191 -2.633 1 1 2415 . 12 1 1 A 261 261 LEU CA C 474 53.327 54.305 -0.978 1 1 2416 . 12 1 1 A 261 261 LEU CB C 474 44.313 42.562 1.751 1 1 2420 . 12 1 1 A 261 261 LEU N N 474 126.482 129.374 -2.892 1 1 2421 . 12 1 1 A 262 262 VAL H H 475 8.876 8.838 0.038 1 1 2422 . 12 1 1 A 262 262 VAL HA H 475 4.238 4.822 -0.584 1 1 2430 . 12 1 1 A 262 262 VAL C C 475 174.243 174.628 -0.385 1 1 2431 . 12 1 1 A 262 262 VAL CA C 475 59.734 60.886 -1.152 1 1 2432 . 12 1 1 A 262 262 VAL CB C 475 34.790 35.555 -0.765 1 1 2435 . 12 1 1 A 262 262 VAL N N 475 124.316 127.539 -3.223 1 1 2436 . 12 1 1 A 263 263 PHE H H 476 8.826 8.886 -0.060 1 1 2437 . 12 1 1 A 263 263 PHE HA H 476 5.518 4.923 0.595 1 1 2443 . 12 1 1 A 263 263 PHE C C 476 171.887 175.183 -3.296 1 1 2444 . 12 1 1 A 263 263 PHE CA C 476 52.082 55.537 -3.455 1 1 2445 . 12 1 1 A 263 263 PHE CB C 476 39.792 41.046 -1.254 1 1 2449 . 12 1 1 A 263 263 PHE N N 476 122.867 124.799 -1.932 1 1 2450 . 12 1 1 A 264 264 PRO HA H 477 4.649 4.428 0.221 1 1 2457 . 12 1 1 A 264 264 PRO C C 477 178.322 177.079 1.243 1 1 2458 . 12 1 1 A 264 264 PRO CA C 477 62.333 65.377 -3.044 1 1 2459 . 12 1 1 A 264 264 PRO CB C 477 32.553 31.783 0.770 1 1 2462 . 12 1 1 A 265 265 SER H H 478 8.763 8.185 0.578 1 1 2463 . 12 1 1 A 265 265 SER HA H 478 4.494 4.153 0.341 1 1 2466 . 12 1 1 A 265 265 SER C C 478 173.725 173.925 -0.200 1 1 2467 . 12 1 1 A 265 265 SER CA C 478 59.060 58.914 0.146 1 1 2468 . 12 1 1 A 265 265 SER CB C 478 64.038 61.758 2.280 1 1 2469 . 12 1 1 A 265 265 SER N N 478 116.725 111.891 4.834 1 1 17 . 13 1 1 A 12 12 VAL H H 225 7.819 8.501 -0.682 1 1 18 . 13 1 1 A 12 12 VAL HA H 225 4.946 3.629 1.317 1 1 26 . 13 1 1 A 12 12 VAL C C 225 175.898 175.397 0.501 1 1 27 . 13 1 1 A 12 12 VAL CA C 225 59.650 66.073 -6.423 1 1 28 . 13 1 1 A 12 12 VAL CB C 225 35.296 31.999 3.297 1 1 31 . 13 1 1 A 12 12 VAL N N 225 117.637 122.838 -5.201 1 1 32 . 13 1 1 A 13 13 TYR H H 226 8.318 7.974 0.344 1 1 33 . 13 1 1 A 13 13 TYR HA H 226 4.291 4.434 -0.143 1 1 36 . 13 1 1 A 13 13 TYR C C 226 176.911 175.245 1.666 1 1 37 . 13 1 1 A 13 13 TYR CA C 226 60.063 57.962 2.101 1 1 38 . 13 1 1 A 13 13 TYR CB C 226 37.843 39.246 -1.403 1 1 39 . 13 1 1 A 13 13 TYR N N 226 122.976 119.746 3.230 1 1 40 . 13 1 1 A 14 14 GLN H H 227 9.128 8.727 0.401 1 1 41 . 13 1 1 A 14 14 GLN HA H 227 3.996 4.558 -0.562 1 1 46 . 13 1 1 A 14 14 GLN C C 227 175.052 175.301 -0.249 1 1 47 . 13 1 1 A 14 14 GLN CA C 227 57.421 54.809 2.612 1 1 48 . 13 1 1 A 14 14 GLN CB C 227 29.550 30.058 -0.508 1 1 50 . 13 1 1 A 14 14 GLN N N 227 124.676 124.092 0.584 1 1 51 . 13 1 1 A 15 15 MET H H 228 8.465 7.664 0.801 1 1 52 . 13 1 1 A 15 15 MET HA H 228 5.210 4.722 0.488 1 1 60 . 13 1 1 A 15 15 MET C C 228 172.979 175.835 -2.856 1 1 61 . 13 1 1 A 15 15 MET CA C 228 52.955 54.073 -1.118 1 1 62 . 13 1 1 A 15 15 MET CB C 228 30.751 30.519 0.232 1 1 65 . 13 1 1 A 15 15 MET N N 228 128.835 121.032 7.803 1 1 66 . 13 1 1 A 16 16 LYS H H 229 9.119 8.310 0.809 1 1 67 . 13 1 1 A 16 16 LYS HA H 229 4.558 4.329 0.229 1 1 76 . 13 1 1 A 16 16 LYS C C 229 176.209 176.672 -0.463 1 1 77 . 13 1 1 A 16 16 LYS CA C 229 55.916 56.999 -1.083 1 1 78 . 13 1 1 A 16 16 LYS CB C 229 35.555 32.845 2.710 1 1 82 . 13 1 1 A 16 16 LYS N N 229 120.235 124.937 -4.702 1 1 83 . 13 1 1 A 17 17 SER H H 230 9.101 7.637 1.464 1 1 84 . 13 1 1 A 17 17 SER HA H 230 4.077 4.808 -0.731 1 1 87 . 13 1 1 A 17 17 SER C C 230 172.995 173.715 -0.720 1 1 88 . 13 1 1 A 17 17 SER CA C 230 59.615 57.270 2.345 1 1 89 . 13 1 1 A 17 17 SER CB C 230 64.482 65.847 -1.365 1 1 90 . 13 1 1 A 17 17 SER N N 230 121.500 115.762 5.738 1 1 91 . 13 1 1 A 18 18 LYS H H 231 8.120 8.083 0.037 1 1 92 . 13 1 1 A 18 18 LYS HA H 231 4.373 4.285 0.088 1 1 101 . 13 1 1 A 18 18 LYS C C 231 173.565 176.816 -3.251 1 1 102 . 13 1 1 A 18 18 LYS CA C 231 53.231 54.851 -1.620 1 1 103 . 13 1 1 A 18 18 LYS CB C 231 34.596 33.295 1.301 1 1 107 . 13 1 1 A 18 18 LYS N N 231 120.561 123.250 -2.689 1 1 108 . 13 1 1 A 19 19 PRO HA H 232 4.898 4.513 0.385 1 1 115 . 13 1 1 A 19 19 PRO C C 232 176.162 177.818 -1.656 1 1 116 . 13 1 1 A 19 19 PRO CA C 232 62.838 64.904 -2.066 1 1 117 . 13 1 1 A 19 19 PRO CB C 232 34.997 32.108 2.889 1 1 120 . 13 1 1 A 20 20 ARG H H 233 8.782 8.287 0.495 1 1 121 . 13 1 1 A 20 20 ARG HA H 233 3.651 4.672 -1.021 1 1 122 . 13 1 1 A 20 20 ARG C C 233 175.210 175.258 -0.048 1 1 123 . 13 1 1 A 20 20 ARG CA C 233 56.621 54.997 1.624 1 1 124 . 13 1 1 A 20 20 ARG CB C 233 30.581 28.540 2.041 1 1 127 . 13 1 1 A 20 20 ARG N N 233 118.785 118.018 0.767 1 1 128 . 13 1 1 A 21 21 GLY H H 234 6.490 8.979 -2.489 1 1 129 . 13 1 1 A 21 21 GLY HA2 H 234 4.312 3.908 0.404 1 1 130 . 13 1 1 A 21 21 GLY HA3 H 234 4.662 4.012 0.650 1 1 131 . 13 1 1 A 21 21 GLY C C 234 172.012 172.155 -0.143 1 1 132 . 13 1 1 A 21 21 GLY CA C 234 43.743 45.041 -1.298 1 1 133 . 13 1 1 A 21 21 GLY N N 234 128.529 112.187 16.342 1 1 134 . 13 1 1 A 22 22 TYR H H 235 9.327 8.555 0.772 1 1 135 . 13 1 1 A 22 22 TYR HA H 235 5.260 4.906 0.354 1 1 140 . 13 1 1 A 22 22 TYR C C 235 173.931 175.252 -1.321 1 1 141 . 13 1 1 A 22 22 TYR CA C 235 58.287 57.388 0.899 1 1 142 . 13 1 1 A 22 22 TYR CB C 235 39.762 39.201 0.561 1 1 145 . 13 1 1 A 22 22 TYR N N 235 119.429 119.757 -0.328 1 1 146 . 13 1 1 A 23 23 CYS H H 236 8.665 8.935 -0.270 1 1 147 . 13 1 1 A 23 23 CYS HA H 236 4.928 4.665 0.263 1 1 148 . 13 1 1 A 23 23 CYS C C 236 172.970 174.726 -1.756 1 1 149 . 13 1 1 A 23 23 CYS CA C 236 55.636 58.612 -2.976 1 1 150 . 13 1 1 A 23 23 CYS CB C 236 50.040 28.544 21.496 1 1 151 . 13 1 1 A 23 23 CYS N N 236 120.485 124.407 -3.922 1 1 152 . 13 1 1 A 24 24 LEU H H 237 8.619 8.525 0.094 1 1 153 . 13 1 1 A 24 24 LEU HA H 237 4.691 5.047 -0.356 1 1 163 . 13 1 1 A 24 24 LEU C C 237 175.850 175.576 0.274 1 1 164 . 13 1 1 A 24 24 LEU CA C 237 54.053 53.864 0.189 1 1 165 . 13 1 1 A 24 24 LEU CB C 237 44.117 43.466 0.651 1 1 169 . 13 1 1 A 24 24 LEU N N 237 129.465 125.140 4.325 1 1 170 . 13 1 1 A 25 25 ILE H H 238 8.304 9.175 -0.871 1 1 171 . 13 1 1 A 25 25 ILE HA H 238 4.639 4.964 -0.325 1 1 179 . 13 1 1 A 25 25 ILE C C 238 174.032 175.215 -1.183 1 1 180 . 13 1 1 A 25 25 ILE CA C 238 60.879 59.629 1.250 1 1 181 . 13 1 1 A 25 25 ILE CB C 238 41.165 42.597 -1.432 1 1 185 . 13 1 1 A 25 25 ILE N N 238 122.597 124.438 -1.841 1 1 186 . 13 1 1 A 26 26 ILE H H 239 9.025 8.938 0.087 1 1 187 . 13 1 1 A 26 26 ILE HA H 239 4.778 5.329 -0.551 1 1 197 . 13 1 1 A 26 26 ILE C C 239 173.104 174.540 -1.436 1 1 198 . 13 1 1 A 26 26 ILE CA C 239 60.733 59.654 1.079 1 1 199 . 13 1 1 A 26 26 ILE CB C 239 38.237 40.918 -2.681 1 1 203 . 13 1 1 A 26 26 ILE N N 239 129.303 125.872 3.431 1 1 204 . 13 1 1 A 27 27 ASN H H 240 8.957 9.161 -0.204 1 1 205 . 13 1 1 A 27 27 ASN HA H 240 5.174 5.389 -0.215 1 1 208 . 13 1 1 A 27 27 ASN C C 240 172.948 173.281 -0.333 1 1 209 . 13 1 1 A 27 27 ASN CA C 240 52.055 52.328 -0.273 1 1 210 . 13 1 1 A 27 27 ASN CB C 240 40.530 43.084 -2.554 1 1 211 . 13 1 1 A 27 27 ASN N N 240 125.494 123.989 1.505 1 1 212 . 13 1 1 A 28 28 ASN H H 241 9.118 8.863 0.255 1 1 213 . 13 1 1 A 28 28 ASN HA H 241 5.106 5.387 -0.281 1 1 216 . 13 1 1 A 28 28 ASN C C 241 172.184 175.067 -2.883 1 1 217 . 13 1 1 A 28 28 ASN CA C 241 52.599 52.043 0.556 1 1 218 . 13 1 1 A 28 28 ASN CB C 241 38.296 41.786 -3.490 1 1 219 . 13 1 1 A 28 28 ASN N N 241 125.089 119.759 5.330 1 1 220 . 13 1 1 A 29 29 HIS H H 242 9.512 8.768 0.744 1 1 221 . 13 1 1 A 29 29 HIS HA H 242 4.384 4.901 -0.517 1 1 224 . 13 1 1 A 29 29 HIS C C 242 173.519 176.115 -2.596 1 1 225 . 13 1 1 A 29 29 HIS CA C 242 59.174 55.508 3.666 1 1 226 . 13 1 1 A 29 29 HIS CB C 242 28.022 30.893 -2.871 1 1 227 . 13 1 1 A 29 29 HIS N N 242 125.634 122.501 3.133 1 1 228 . 13 1 1 A 30 30 ASN H H 243 8.623 7.851 0.772 1 1 229 . 13 1 1 A 30 30 ASN HA H 243 4.148 4.128 0.020 1 1 234 . 13 1 1 A 30 30 ASN C C 243 175.052 175.116 -0.064 1 1 235 . 13 1 1 A 30 30 ASN CA C 243 53.229 55.255 -2.026 1 1 236 . 13 1 1 A 30 30 ASN CB C 243 38.980 38.885 0.095 1 1 237 . 13 1 1 A 30 30 ASN N N 243 119.059 119.002 0.057 1 1 239 . 13 1 1 A 31 31 PHE H H 244 8.676 8.114 0.562 1 1 240 . 13 1 1 A 31 31 PHE HA H 244 4.686 4.222 0.464 1 1 243 . 13 1 1 A 31 31 PHE C C 244 174.399 175.680 -1.281 1 1 244 . 13 1 1 A 31 31 PHE CA C 244 57.688 59.011 -1.323 1 1 245 . 13 1 1 A 31 31 PHE CB C 244 39.026 36.717 2.309 1 1 246 . 13 1 1 A 31 31 PHE N N 244 124.091 118.486 5.605 1 1 247 . 13 1 1 A 32 32 ALA H H 245 8.244 8.221 0.023 1 1 248 . 13 1 1 A 32 32 ALA HA H 245 3.869 4.099 -0.230 1 1 252 . 13 1 1 A 32 32 ALA C C 245 180.452 179.000 1.452 1 1 253 . 13 1 1 A 32 32 ALA CA C 245 56.274 54.943 1.331 1 1 254 . 13 1 1 A 32 32 ALA CB C 245 18.181 18.969 -0.788 1 1 255 . 13 1 1 A 32 32 ALA N N 245 122.713 122.730 -0.017 1 1 256 . 13 1 1 A 33 33 LYS H H 246 8.964 8.088 0.876 1 1 257 . 13 1 1 A 33 33 LYS HA H 246 4.089 4.526 -0.437 1 1 266 . 13 1 1 A 33 33 LYS C C 246 177.441 177.500 -0.059 1 1 267 . 13 1 1 A 33 33 LYS CA C 246 58.632 55.858 2.774 1 1 268 . 13 1 1 A 33 33 LYS CB C 246 30.418 33.806 -3.388 1 1 272 . 13 1 1 A 33 33 LYS N N 246 116.888 115.247 1.641 1 1 273 . 13 1 1 A 34 34 ALA H H 247 7.088 7.753 -0.665 1 1 274 . 13 1 1 A 34 34 ALA HA H 247 3.752 4.033 -0.281 1 1 278 . 13 1 1 A 34 34 ALA C C 247 177.581 179.920 -2.339 1 1 279 . 13 1 1 A 34 34 ALA CA C 247 55.502 55.075 0.427 1 1 280 . 13 1 1 A 34 34 ALA CB C 247 18.099 18.676 -0.577 1 1 281 . 13 1 1 A 34 34 ALA N N 247 122.047 122.532 -0.485 1 1 282 . 13 1 1 A 35 35 ARG H H 248 7.706 8.283 -0.577 1 1 283 . 13 1 1 A 35 35 ARG HA H 248 4.338 4.149 0.189 1 1 292 . 13 1 1 A 35 35 ARG C C 248 179.094 178.311 0.783 1 1 293 . 13 1 1 A 35 35 ARG CA C 248 56.283 58.968 -2.685 1 1 294 . 13 1 1 A 35 35 ARG CB C 248 30.668 29.806 0.862 1 1 297 . 13 1 1 A 35 35 ARG N N 248 112.008 116.400 -4.392 1 1 299 . 13 1 1 A 36 36 GLU H H 249 7.707 7.701 0.006 1 1 300 . 13 1 1 A 36 36 GLU HA H 249 4.121 4.058 0.063 1 1 305 . 13 1 1 A 36 36 GLU C C 249 178.205 178.791 -0.586 1 1 306 . 13 1 1 A 36 36 GLU CA C 249 58.194 58.894 -0.700 1 1 307 . 13 1 1 A 36 36 GLU CB C 249 30.596 29.815 0.781 1 1 309 . 13 1 1 A 36 36 GLU N N 249 116.945 119.725 -2.780 1 1 310 . 13 1 1 A 37 37 LYS H H 250 7.954 8.053 -0.099 1 1 311 . 13 1 1 A 37 37 LYS HA H 250 4.381 3.957 0.424 1 1 320 . 13 1 1 A 37 37 LYS C C 250 176.772 177.360 -0.588 1 1 321 . 13 1 1 A 37 37 LYS CA C 250 57.323 59.364 -2.041 1 1 322 . 13 1 1 A 37 37 LYS CB C 250 34.892 32.224 2.668 1 1 326 . 13 1 1 A 37 37 LYS N N 250 114.798 119.034 -4.236 1 1 327 . 13 1 1 A 38 38 VAL H H 251 8.298 8.162 0.136 1 1 328 . 13 1 1 A 38 38 VAL HA H 251 4.582 4.392 0.190 1 1 336 . 13 1 1 A 38 38 VAL C C 251 174.903 174.965 -0.062 1 1 337 . 13 1 1 A 38 38 VAL CA C 251 60.316 59.344 0.972 1 1 338 . 13 1 1 A 38 38 VAL CB C 251 32.374 31.802 0.572 1 1 341 . 13 1 1 A 38 38 VAL N N 251 120.907 113.944 6.963 1 1 342 . 13 1 1 A 40 40 LYS H H 253 8.588 8.820 -0.232 1 1 343 . 13 1 1 A 40 40 LYS HA H 253 4.275 4.072 0.203 1 1 352 . 13 1 1 A 40 40 LYS C C 253 176.447 177.425 -0.978 1 1 353 . 13 1 1 A 40 40 LYS CA C 253 58.550 58.462 0.088 1 1 354 . 13 1 1 A 40 40 LYS CB C 253 31.568 31.564 0.004 1 1 358 . 13 1 1 A 40 40 LYS N N 253 113.861 116.104 -2.243 1 1 359 . 13 1 1 A 41 41 LEU H H 254 7.948 7.857 0.091 1 1 360 . 13 1 1 A 41 41 LEU HA H 254 4.391 4.468 -0.077 1 1 370 . 13 1 1 A 41 41 LEU C C 254 175.989 176.397 -0.408 1 1 371 . 13 1 1 A 41 41 LEU CA C 254 53.279 54.094 -0.815 1 1 372 . 13 1 1 A 41 41 LEU CB C 254 40.369 41.401 -1.032 1 1 376 . 13 1 1 A 41 41 LEU N N 254 118.998 117.763 1.235 1 1 377 . 13 1 1 A 42 42 HIS H H 255 7.167 7.719 -0.552 1 1 378 . 13 1 1 A 42 42 HIS HA H 255 4.376 4.462 -0.086 1 1 382 . 13 1 1 A 42 42 HIS C C 255 174.836 175.353 -0.517 1 1 383 . 13 1 1 A 42 42 HIS CA C 255 59.188 56.726 2.462 1 1 384 . 13 1 1 A 42 42 HIS CB C 255 30.311 29.477 0.834 1 1 386 . 13 1 1 A 42 42 HIS N N 255 116.251 119.004 -2.753 1 1 387 . 13 1 1 A 43 43 SER H H 256 7.735 8.809 -1.074 1 1 388 . 13 1 1 A 43 43 SER HA H 256 4.490 3.981 0.509 1 1 391 . 13 1 1 A 43 43 SER C C 256 174.045 174.056 -0.011 1 1 392 . 13 1 1 A 43 43 SER CA C 256 56.420 59.079 -2.659 1 1 393 . 13 1 1 A 43 43 SER CB C 256 64.093 60.959 3.134 1 1 394 . 13 1 1 A 43 43 SER N N 256 110.725 117.485 -6.760 1 1 395 . 13 1 1 A 44 44 ILE H H 257 7.403 7.889 -0.486 1 1 396 . 13 1 1 A 44 44 ILE HA H 257 3.806 3.916 -0.110 1 1 406 . 13 1 1 A 44 44 ILE C C 257 174.321 174.553 -0.232 1 1 407 . 13 1 1 A 44 44 ILE CA C 257 61.640 61.568 0.072 1 1 408 . 13 1 1 A 44 44 ILE CB C 257 38.324 38.880 -0.556 1 1 412 . 13 1 1 A 44 44 ILE N N 257 124.717 124.397 0.320 1 1 413 . 13 1 1 A 45 45 ARG H H 258 8.043 8.281 -0.238 1 1 414 . 13 1 1 A 45 45 ARG HA H 258 4.201 4.554 -0.353 1 1 421 . 13 1 1 A 45 45 ARG C C 258 177.535 175.886 1.649 1 1 422 . 13 1 1 A 45 45 ARG CA C 258 55.412 55.148 0.264 1 1 423 . 13 1 1 A 45 45 ARG CB C 258 31.546 32.191 -0.645 1 1 426 . 13 1 1 A 45 45 ARG N N 258 124.319 128.196 -3.877 1 1 427 . 13 1 1 A 46 46 ASP H H 259 8.584 8.221 0.363 1 1 428 . 13 1 1 A 46 46 ASP HA H 259 5.096 4.653 0.443 1 1 431 . 13 1 1 A 46 46 ASP C C 259 177.819 178.301 -0.482 1 1 432 . 13 1 1 A 46 46 ASP CA C 259 55.248 55.221 0.027 1 1 433 . 13 1 1 A 46 46 ASP CB C 259 39.614 41.880 -2.266 1 1 434 . 13 1 1 A 46 46 ASP N N 259 120.371 122.766 -2.395 1 1 435 . 13 1 1 A 47 47 ARG H H 260 8.632 8.187 0.445 1 1 442 . 13 1 1 A 47 47 ARG CA C 260 56.228 59.019 -2.791 1 1 443 . 13 1 1 A 47 47 ARG CB C 260 26.981 30.041 -3.060 1 1 445 . 13 1 1 A 47 47 ARG N N 260 123.120 118.051 5.069 1 1 447 . 13 1 1 A 51 51 HIS HA H 264 4.293 4.370 -0.077 1 1 451 . 13 1 1 A 51 51 HIS C C 264 178.002 174.927 3.075 1 1 452 . 13 1 1 A 51 51 HIS CA C 264 60.062 57.128 2.934 1 1 453 . 13 1 1 A 51 51 HIS CB C 264 29.109 27.574 1.535 1 1 455 . 13 1 1 A 52 52 LEU H H 265 7.474 8.010 -0.536 1 1 456 . 13 1 1 A 52 52 LEU HA H 265 4.125 4.143 -0.018 1 1 466 . 13 1 1 A 52 52 LEU C C 265 180.623 178.006 2.617 1 1 467 . 13 1 1 A 52 52 LEU CA C 265 56.921 56.247 0.674 1 1 468 . 13 1 1 A 52 52 LEU CB C 265 40.572 43.071 -2.499 1 1 472 . 13 1 1 A 52 52 LEU N N 265 122.692 118.973 3.719 1 1 473 . 13 1 1 A 53 53 ASP H H 266 6.993 8.192 -1.199 1 1 474 . 13 1 1 A 53 53 ASP C C 266 176.536 176.822 -0.286 1 1 475 . 13 1 1 A 53 53 ASP CA C 266 56.718 55.234 1.484 1 1 476 . 13 1 1 A 53 53 ASP CB C 266 39.787 41.464 -1.677 1 1 477 . 13 1 1 A 53 53 ASP N N 266 122.192 117.365 4.827 1 1 478 . 13 1 1 A 54 54 ALA H H 267 8.217 7.932 0.285 1 1 479 . 13 1 1 A 54 54 ALA HA H 267 3.840 4.606 -0.766 1 1 483 . 13 1 1 A 54 54 ALA C C 267 180.507 179.458 1.049 1 1 484 . 13 1 1 A 54 54 ALA CA C 267 55.836 53.179 2.657 1 1 485 . 13 1 1 A 54 54 ALA CB C 267 17.386 21.079 -3.693 1 1 486 . 13 1 1 A 54 54 ALA N N 267 121.612 120.738 0.874 1 1 487 . 13 1 1 A 55 55 GLY H H 268 8.481 8.542 -0.061 1 1 488 . 13 1 1 A 55 55 GLY C C 268 174.929 176.145 -1.216 1 1 489 . 13 1 1 A 55 55 GLY CA C 268 46.546 46.980 -0.434 1 1 490 . 13 1 1 A 55 55 GLY N N 268 107.453 106.867 0.586 1 1 491 . 13 1 1 A 56 56 ALA H H 269 7.759 8.105 -0.346 1 1 492 . 13 1 1 A 56 56 ALA HA H 269 4.190 4.027 0.163 1 1 496 . 13 1 1 A 56 56 ALA C C 269 180.493 180.171 0.322 1 1 497 . 13 1 1 A 56 56 ALA CA C 269 55.311 54.813 0.498 1 1 498 . 13 1 1 A 56 56 ALA CB C 269 17.951 18.377 -0.426 1 1 499 . 13 1 1 A 56 56 ALA N N 269 125.518 124.483 1.035 1 1 500 . 13 1 1 A 57 57 LEU H H 270 8.224 7.820 0.404 1 1 501 . 13 1 1 A 57 57 LEU HA H 270 3.840 4.164 -0.324 1 1 506 . 13 1 1 A 57 57 LEU C C 270 177.499 179.895 -2.396 1 1 507 . 13 1 1 A 57 57 LEU CA C 270 58.315 57.812 0.503 1 1 508 . 13 1 1 A 57 57 LEU CB C 270 43.182 41.791 1.391 1 1 511 . 13 1 1 A 57 57 LEU N N 270 121.610 118.824 2.786 1 1 512 . 13 1 1 A 58 58 THR H H 271 7.976 8.318 -0.342 1 1 513 . 13 1 1 A 58 58 THR HA H 271 4.432 4.085 0.347 1 1 518 . 13 1 1 A 58 58 THR C C 271 174.457 176.233 -1.776 1 1 519 . 13 1 1 A 58 58 THR CA C 271 68.788 66.542 2.246 1 1 520 . 13 1 1 A 58 58 THR CB C 271 67.557 68.875 -1.318 1 1 522 . 13 1 1 A 58 58 THR N N 271 115.528 115.580 -0.052 1 1 523 . 13 1 1 A 59 59 THR H H 272 8.085 8.908 -0.823 1 1 524 . 13 1 1 A 59 59 THR HA H 272 3.911 4.025 -0.114 1 1 529 . 13 1 1 A 59 59 THR C C 272 176.131 177.174 -1.043 1 1 530 . 13 1 1 A 59 59 THR CA C 272 65.908 65.239 0.669 1 1 531 . 13 1 1 A 59 59 THR CB C 272 69.045 68.850 0.195 1 1 533 . 13 1 1 A 59 59 THR N N 272 114.864 114.368 0.496 1 1 534 . 13 1 1 A 60 60 THR H H 273 7.875 7.623 0.252 1 1 535 . 13 1 1 A 60 60 THR HA H 273 3.423 3.852 -0.429 1 1 540 . 13 1 1 A 60 60 THR C C 273 175.166 175.920 -0.754 1 1 541 . 13 1 1 A 60 60 THR CA C 273 67.291 66.723 0.568 1 1 542 . 13 1 1 A 60 60 THR CB C 273 68.824 68.546 0.278 1 1 544 . 13 1 1 A 60 60 THR N N 273 116.718 117.247 -0.529 1 1 545 . 13 1 1 A 61 61 PHE H H 274 8.219 7.849 0.370 1 1 546 . 13 1 1 A 61 61 PHE HA H 274 4.213 4.773 -0.560 1 1 552 . 13 1 1 A 61 61 PHE C C 274 178.034 178.376 -0.342 1 1 553 . 13 1 1 A 61 61 PHE CA C 274 63.308 61.323 1.985 1 1 554 . 13 1 1 A 61 61 PHE CB C 274 37.080 39.688 -2.608 1 1 558 . 13 1 1 A 61 61 PHE N N 274 114.721 118.206 -3.485 1 1 559 . 13 1 1 A 62 62 GLU H H 275 8.810 8.764 0.046 1 1 560 . 13 1 1 A 62 62 GLU HA H 275 4.416 4.119 0.297 1 1 565 . 13 1 1 A 62 62 GLU C C 275 181.232 179.681 1.551 1 1 566 . 13 1 1 A 62 62 GLU CA C 275 60.190 60.061 0.129 1 1 567 . 13 1 1 A 62 62 GLU CB C 275 28.990 29.212 -0.222 1 1 569 . 13 1 1 A 62 62 GLU N N 275 123.787 121.333 2.454 1 1 570 . 13 1 1 A 63 63 GLU H H 276 7.698 8.758 -1.060 1 1 571 . 13 1 1 A 63 63 GLU HA H 276 3.871 4.102 -0.231 1 1 575 . 13 1 1 A 63 63 GLU C C 276 176.721 177.388 -0.667 1 1 576 . 13 1 1 A 63 63 GLU CA C 276 58.821 58.706 0.115 1 1 577 . 13 1 1 A 63 63 GLU CB C 276 29.251 28.457 0.794 1 1 579 . 13 1 1 A 63 63 GLU N N 276 120.707 117.846 2.861 1 1 580 . 13 1 1 A 64 64 LEU H H 277 6.708 7.555 -0.847 1 1 581 . 13 1 1 A 64 64 LEU HA H 277 4.148 4.186 -0.038 1 1 589 . 13 1 1 A 64 64 LEU C C 277 174.571 176.126 -1.555 1 1 590 . 13 1 1 A 64 64 LEU CA C 277 54.060 54.523 -0.463 1 1 594 . 13 1 1 A 64 64 LEU N N 277 115.451 118.735 -3.284 1 1 595 . 13 1 1 A 65 65 HIS H H 278 7.388 8.037 -0.649 1 1 596 . 13 1 1 A 65 65 HIS HA H 278 4.259 4.091 0.168 1 1 599 . 13 1 1 A 65 65 HIS C C 278 174.571 173.849 0.722 1 1 600 . 13 1 1 A 65 65 HIS CA C 278 57.737 56.416 1.321 1 1 601 . 13 1 1 A 65 65 HIS CB C 278 26.020 28.510 -2.490 1 1 602 . 13 1 1 A 65 65 HIS N N 278 107.287 116.763 -9.476 1 1 603 . 13 1 1 A 66 66 PHE H H 279 8.554 7.425 1.129 1 1 604 . 13 1 1 A 66 66 PHE HA H 279 4.462 4.677 -0.215 1 1 610 . 13 1 1 A 66 66 PHE C C 279 174.258 175.444 -1.186 1 1 611 . 13 1 1 A 66 66 PHE CA C 279 58.032 57.988 0.044 1 1 612 . 13 1 1 A 66 66 PHE CB C 279 39.809 41.141 -1.332 1 1 616 . 13 1 1 A 66 66 PHE N N 279 117.992 119.148 -1.156 1 1 617 . 13 1 1 A 67 67 GLU H H 280 8.403 8.569 -0.166 1 1 618 . 13 1 1 A 67 67 GLU HA H 280 4.631 4.952 -0.321 1 1 621 . 13 1 1 A 67 67 GLU C C 280 174.640 175.161 -0.521 1 1 622 . 13 1 1 A 67 67 GLU CA C 280 55.467 55.413 0.054 1 1 623 . 13 1 1 A 67 67 GLU CB C 280 30.671 31.194 -0.523 1 1 625 . 13 1 1 A 67 67 GLU N N 280 120.980 119.715 1.265 1 1 626 . 13 1 1 A 68 68 ILE H H 281 8.988 9.022 -0.034 1 1 627 . 13 1 1 A 68 68 ILE HA H 281 4.491 4.640 -0.149 1 1 636 . 13 1 1 A 68 68 ILE C C 281 176.177 174.475 1.702 1 1 637 . 13 1 1 A 68 68 ILE CA C 281 59.688 60.106 -0.418 1 1 638 . 13 1 1 A 68 68 ILE CB C 281 35.090 40.258 -5.168 1 1 642 . 13 1 1 A 68 68 ILE N N 281 127.994 125.689 2.305 1 1 643 . 13 1 1 A 69 69 LYS H H 282 8.559 8.529 0.030 1 1 644 . 13 1 1 A 69 69 LYS HA H 282 4.981 4.861 0.120 1 1 645 . 13 1 1 A 69 69 LYS CA C 282 50.465 52.742 -2.277 1 1 646 . 13 1 1 A 69 69 LYS CB C 282 32.762 33.565 -0.803 1 1 649 . 13 1 1 A 69 69 LYS N N 282 126.350 128.799 -2.449 1 1 650 . 13 1 1 A 70 70 PRO HA H 283 5.133 4.588 0.545 1 1 651 . 13 1 1 A 70 70 PRO C C 283 176.378 176.082 0.296 1 1 652 . 13 1 1 A 70 70 PRO CA C 283 62.027 62.771 -0.744 1 1 653 . 13 1 1 A 70 70 PRO CB C 283 32.856 31.983 0.873 1 1 655 . 13 1 1 A 71 71 HIS H H 284 8.967 8.786 0.181 1 1 656 . 13 1 1 A 71 71 HIS HA H 284 4.465 4.837 -0.372 1 1 660 . 13 1 1 A 71 71 HIS C C 284 172.714 174.840 -2.126 1 1 661 . 13 1 1 A 71 71 HIS CA C 284 55.994 55.496 0.498 1 1 662 . 13 1 1 A 71 71 HIS CB C 284 33.678 29.618 4.060 1 1 664 . 13 1 1 A 71 71 HIS N N 284 121.708 121.794 -0.086 1 1 665 . 13 1 1 A 72 72 ASP H H 285 8.625 8.670 -0.045 1 1 666 . 13 1 1 A 72 72 ASP HA H 285 5.695 5.008 0.687 1 1 669 . 13 1 1 A 72 72 ASP C C 285 175.881 175.476 0.405 1 1 670 . 13 1 1 A 72 72 ASP CA C 285 53.201 52.656 0.545 1 1 671 . 13 1 1 A 72 72 ASP CB C 285 43.758 41.855 1.903 1 1 672 . 13 1 1 A 72 72 ASP N N 285 122.941 125.361 -2.420 1 1 673 . 13 1 1 A 73 73 ASP H H 286 9.212 8.891 0.321 1 1 674 . 13 1 1 A 73 73 ASP HA H 286 4.263 4.267 -0.004 1 1 676 . 13 1 1 A 73 73 ASP C C 286 174.368 175.104 -0.736 1 1 677 . 13 1 1 A 73 73 ASP CA C 286 56.488 55.681 0.807 1 1 678 . 13 1 1 A 73 73 ASP CB C 286 39.083 39.672 -0.589 1 1 679 . 13 1 1 A 73 73 ASP N N 286 119.175 116.791 2.384 1 1 680 . 13 1 1 A 74 74 CYS H H 287 8.750 7.375 1.375 1 1 681 . 13 1 1 A 74 74 CYS HA H 287 4.854 4.634 0.220 1 1 684 . 13 1 1 A 74 74 CYS C C 287 176.146 173.800 2.346 1 1 685 . 13 1 1 A 74 74 CYS CA C 287 58.552 57.744 0.808 1 1 686 . 13 1 1 A 74 74 CYS CB C 287 53.204 26.755 26.449 1 1 687 . 13 1 1 A 74 74 CYS N N 287 119.631 117.715 1.916 1 1 688 . 13 1 1 A 75 75 THR H H 288 8.535 8.347 0.188 1 1 689 . 13 1 1 A 75 75 THR HA H 288 4.163 4.455 -0.292 1 1 694 . 13 1 1 A 75 75 THR C C 288 174.663 176.131 -1.468 1 1 695 . 13 1 1 A 75 75 THR CA C 288 61.353 62.438 -1.085 1 1 696 . 13 1 1 A 75 75 THR CB C 288 70.100 69.840 0.260 1 1 698 . 13 1 1 A 75 75 THR N N 288 115.998 120.756 -4.758 1 1 699 . 13 1 1 A 76 76 VAL H H 289 8.083 8.684 -0.601 1 1 700 . 13 1 1 A 76 76 VAL HA H 289 3.414 3.871 -0.457 1 1 708 . 13 1 1 A 76 76 VAL C C 289 176.443 177.221 -0.778 1 1 709 . 13 1 1 A 76 76 VAL CA C 289 69.066 65.236 3.830 1 1 710 . 13 1 1 A 76 76 VAL CB C 289 30.361 31.497 -1.136 1 1 713 . 13 1 1 A 76 76 VAL N N 289 120.599 125.306 -4.707 1 1 714 . 13 1 1 A 77 77 GLU H H 290 9.095 8.258 0.837 1 1 715 . 13 1 1 A 77 77 GLU HA H 290 4.027 3.856 0.171 1 1 720 . 13 1 1 A 77 77 GLU C C 290 179.172 178.173 0.999 1 1 721 . 13 1 1 A 77 77 GLU CA C 290 59.831 59.085 0.746 1 1 722 . 13 1 1 A 77 77 GLU CB C 290 29.493 29.340 0.153 1 1 724 . 13 1 1 A 77 77 GLU N N 290 119.191 121.227 -2.036 1 1 725 . 13 1 1 A 78 78 GLN H H 291 7.523 8.181 -0.658 1 1 726 . 13 1 1 A 78 78 GLN HA H 291 4.079 4.207 -0.128 1 1 731 . 13 1 1 A 78 78 GLN C C 291 177.815 178.344 -0.529 1 1 732 . 13 1 1 A 78 78 GLN CA C 291 58.920 58.261 0.659 1 1 734 . 13 1 1 A 78 78 GLN N N 291 117.101 118.293 -1.192 1 1 735 . 13 1 1 A 79 79 ILE H H 292 8.368 7.865 0.503 1 1 736 . 13 1 1 A 79 79 ILE HA H 292 3.427 3.769 -0.342 1 1 746 . 13 1 1 A 79 79 ILE C C 292 177.133 177.778 -0.645 1 1 747 . 13 1 1 A 79 79 ILE CA C 292 67.132 64.918 2.214 1 1 748 . 13 1 1 A 79 79 ILE CB C 292 37.163 37.299 -0.136 1 1 752 . 13 1 1 A 79 79 ILE N N 292 120.006 120.944 -0.938 1 1 753 . 13 1 1 A 80 80 TYR H H 293 8.302 8.063 0.239 1 1 754 . 13 1 1 A 80 80 TYR HA H 293 4.179 4.450 -0.271 1 1 759 . 13 1 1 A 80 80 TYR C C 293 178.907 178.447 0.460 1 1 760 . 13 1 1 A 80 80 TYR CA C 293 61.737 60.162 1.575 1 1 761 . 13 1 1 A 80 80 TYR CB C 293 37.201 37.748 -0.547 1 1 764 . 13 1 1 A 80 80 TYR N N 293 116.291 120.694 -4.403 1 1 765 . 13 1 1 A 81 81 GLU H H 294 8.170 8.367 -0.197 1 1 766 . 13 1 1 A 81 81 GLU HA H 294 4.036 4.201 -0.165 1 1 771 . 13 1 1 A 81 81 GLU C C 294 178.414 177.764 0.650 1 1 772 . 13 1 1 A 81 81 GLU CA C 294 59.768 58.443 1.325 1 1 773 . 13 1 1 A 81 81 GLU CB C 294 29.489 29.454 0.035 1 1 775 . 13 1 1 A 81 81 GLU N N 294 120.325 119.241 1.084 1 1 776 . 13 1 1 A 82 82 ILE H H 295 8.501 7.487 1.014 1 1 777 . 13 1 1 A 82 82 ILE HA H 295 3.675 3.745 -0.070 1 1 787 . 13 1 1 A 82 82 ILE C C 295 177.751 177.716 0.035 1 1 788 . 13 1 1 A 82 82 ILE CA C 295 65.288 63.776 1.512 1 1 789 . 13 1 1 A 82 82 ILE CB C 295 38.497 37.797 0.700 1 1 793 . 13 1 1 A 82 82 ILE N N 295 120.434 118.615 1.819 1 1 794 . 13 1 1 A 83 83 LEU H H 296 8.508 8.312 0.196 1 1 795 . 13 1 1 A 83 83 LEU HA H 296 4.289 3.910 0.379 1 1 805 . 13 1 1 A 83 83 LEU C C 296 178.393 179.126 -0.733 1 1 806 . 13 1 1 A 83 83 LEU CA C 296 58.937 58.036 0.901 1 1 807 . 13 1 1 A 83 83 LEU CB C 296 39.626 41.711 -2.085 1 1 811 . 13 1 1 A 83 83 LEU N N 296 116.807 120.809 -4.002 1 1 812 . 13 1 1 A 84 84 LYS H H 297 8.048 7.760 0.288 1 1 813 . 13 1 1 A 84 84 LYS HA H 297 3.967 4.004 -0.037 1 1 820 . 13 1 1 A 84 84 LYS C C 297 177.773 178.905 -1.132 1 1 821 . 13 1 1 A 84 84 LYS CA C 297 58.890 58.862 0.028 1 1 822 . 13 1 1 A 84 84 LYS CB C 297 31.169 31.745 -0.576 1 1 826 . 13 1 1 A 84 84 LYS N N 297 118.687 117.341 1.346 1 1 827 . 13 1 1 A 85 85 ILE H H 298 7.694 7.717 -0.023 1 1 828 . 13 1 1 A 85 85 ILE HA H 298 3.456 3.577 -0.121 1 1 838 . 13 1 1 A 85 85 ILE C C 298 179.100 177.841 1.259 1 1 839 . 13 1 1 A 85 85 ILE CA C 298 65.307 65.422 -0.115 1 1 840 . 13 1 1 A 85 85 ILE CB C 298 36.965 37.682 -0.717 1 1 844 . 13 1 1 A 85 85 ILE N N 298 118.157 121.032 -2.875 1 1 845 . 13 1 1 A 86 86 TYR H H 299 7.613 7.405 0.208 1 1 846 . 13 1 1 A 86 86 TYR HA H 299 4.103 4.504 -0.401 1 1 851 . 13 1 1 A 86 86 TYR C C 299 177.425 177.971 -0.546 1 1 852 . 13 1 1 A 86 86 TYR CA C 299 63.129 60.567 2.562 1 1 853 . 13 1 1 A 86 86 TYR CB C 299 38.745 38.218 0.527 1 1 856 . 13 1 1 A 86 86 TYR N N 299 115.499 119.791 -4.292 1 1 857 . 13 1 1 A 87 87 GLN H H 300 9.112 8.229 0.883 1 1 858 . 13 1 1 A 87 87 GLN HA H 300 3.977 4.008 -0.031 1 1 861 . 13 1 1 A 87 87 GLN C C 300 176.380 178.411 -2.031 1 1 862 . 13 1 1 A 87 87 GLN CA C 300 58.976 58.219 0.757 1 1 863 . 13 1 1 A 87 87 GLN CB C 300 28.819 28.404 0.415 1 1 865 . 13 1 1 A 87 87 GLN N N 300 125.039 121.282 3.757 1 1 866 . 13 1 1 A 88 88 LEU H H 301 7.536 8.015 -0.479 1 1 867 . 13 1 1 A 88 88 LEU HA H 301 4.309 4.013 0.296 1 1 877 . 13 1 1 A 88 88 LEU C C 301 177.129 179.898 -2.769 1 1 878 . 13 1 1 A 88 88 LEU CA C 301 55.142 57.759 -2.617 1 1 879 . 13 1 1 A 88 88 LEU CB C 301 41.809 40.978 0.831 1 1 883 . 13 1 1 A 88 88 LEU N N 301 115.623 119.621 -3.998 1 1 884 . 13 1 1 A 89 89 MET H H 302 7.025 8.081 -1.056 1 1 885 . 13 1 1 A 89 89 MET HA H 302 4.031 3.957 0.074 1 1 893 . 13 1 1 A 89 89 MET C C 302 172.664 176.028 -3.364 1 1 894 . 13 1 1 A 89 89 MET CA C 302 55.513 58.735 -3.222 1 1 895 . 13 1 1 A 89 89 MET CB C 302 33.748 32.587 1.161 1 1 898 . 13 1 1 A 89 89 MET N N 302 120.789 119.204 1.585 1 1 899 . 13 1 1 A 90 90 ASP H H 303 8.056 8.163 -0.107 1 1 900 . 13 1 1 A 90 90 ASP HA H 303 4.746 4.271 0.475 1 1 903 . 13 1 1 A 90 90 ASP C C 303 177.139 174.789 2.350 1 1 904 . 13 1 1 A 90 90 ASP CA C 303 54.411 55.077 -0.666 1 1 905 . 13 1 1 A 90 90 ASP CB C 303 40.987 39.746 1.241 1 1 906 . 13 1 1 A 90 90 ASP N N 303 117.873 119.231 -1.358 1 1 907 . 13 1 1 A 91 91 HIS H H 304 9.371 7.770 1.601 1 1 908 . 13 1 1 A 91 91 HIS HA H 304 4.657 5.069 -0.412 1 1 912 . 13 1 1 A 91 91 HIS C C 304 177.332 172.379 4.953 1 1 913 . 13 1 1 A 91 91 HIS CA C 304 56.031 53.433 2.598 1 1 914 . 13 1 1 A 91 91 HIS CB C 304 31.150 32.264 -1.114 1 1 916 . 13 1 1 A 91 91 HIS N N 304 126.666 113.079 13.587 1 1 917 . 13 1 1 A 92 92 SER H H 305 8.952 8.527 0.425 1 1 918 . 13 1 1 A 92 92 SER HA H 305 4.055 4.213 -0.158 1 1 921 . 13 1 1 A 92 92 SER CA C 305 63.687 56.904 6.783 1 1 922 . 13 1 1 A 92 92 SER CB C 305 62.694 61.496 1.198 1 1 923 . 13 1 1 A 92 92 SER N N 305 118.610 115.811 2.799 1 1 924 . 13 1 1 A 93 93 ASN H H 306 8.745 8.205 0.540 1 1 925 . 13 1 1 A 93 93 ASN HA H 306 4.803 4.666 0.137 1 1 928 . 13 1 1 A 93 93 ASN C C 306 173.428 174.817 -1.389 1 1 929 . 13 1 1 A 93 93 ASN CA C 306 53.018 51.657 1.361 1 1 930 . 13 1 1 A 93 93 ASN CB C 306 38.033 39.043 -1.010 1 1 931 . 13 1 1 A 93 93 ASN N N 306 116.257 121.403 -5.146 1 1 932 . 13 1 1 A 94 94 MET H H 307 7.942 8.537 -0.595 1 1 933 . 13 1 1 A 94 94 MET HA H 307 4.683 4.610 0.073 1 1 939 . 13 1 1 A 94 94 MET C C 307 174.640 176.395 -1.755 1 1 940 . 13 1 1 A 94 94 MET CA C 307 53.564 54.195 -0.631 1 1 941 . 13 1 1 A 94 94 MET CB C 307 33.988 31.783 2.205 1 1 944 . 13 1 1 A 94 94 MET N N 307 117.799 119.791 -1.992 1 1 945 . 13 1 1 A 95 95 ASP H H 308 8.276 8.513 -0.237 1 1 946 . 13 1 1 A 95 95 ASP HA H 308 5.172 4.676 0.496 1 1 949 . 13 1 1 A 95 95 ASP C C 308 176.264 176.631 -0.367 1 1 950 . 13 1 1 A 95 95 ASP CA C 308 55.617 55.126 0.491 1 1 951 . 13 1 1 A 95 95 ASP CB C 308 45.114 40.892 4.222 1 1 952 . 13 1 1 A 95 95 ASP N N 308 119.567 124.361 -4.794 1 1 953 . 13 1 1 A 96 96 CYS H H 309 8.215 8.008 0.207 1 1 954 . 13 1 1 A 96 96 CYS HA H 309 4.680 4.638 0.042 1 1 957 . 13 1 1 A 96 96 CYS C C 309 170.157 173.610 -3.453 1 1 958 . 13 1 1 A 96 96 CYS CA C 309 57.203 58.436 -1.233 1 1 959 . 13 1 1 A 96 96 CYS CB C 309 52.974 27.313 25.661 1 1 960 . 13 1 1 A 96 96 CYS N N 309 118.264 117.069 1.195 1 1 961 . 13 1 1 A 97 97 PHE H H 310 8.108 7.735 0.373 1 1 962 . 13 1 1 A 97 97 PHE HA H 310 5.071 5.331 -0.260 1 1 967 . 13 1 1 A 97 97 PHE C C 310 171.279 174.451 -3.172 1 1 968 . 13 1 1 A 97 97 PHE CA C 310 57.910 56.495 1.415 1 1 969 . 13 1 1 A 97 97 PHE CB C 310 44.724 44.258 0.466 1 1 972 . 13 1 1 A 97 97 PHE N N 310 125.767 120.371 5.396 1 1 973 . 13 1 1 A 98 98 ILE H H 311 7.647 8.725 -1.078 1 1 974 . 13 1 1 A 98 98 ILE HA H 311 4.581 4.638 -0.057 1 1 984 . 13 1 1 A 98 98 ILE C C 311 172.012 174.930 -2.918 1 1 985 . 13 1 1 A 98 98 ILE CA C 311 58.312 59.743 -1.431 1 1 986 . 13 1 1 A 98 98 ILE CB C 311 39.964 40.317 -0.353 1 1 990 . 13 1 1 A 98 98 ILE N N 311 125.102 120.033 5.069 1 1 991 . 13 1 1 A 99 99 CYS H H 312 8.309 8.781 -0.472 1 1 992 . 13 1 1 A 99 99 CYS HA H 312 4.471 5.219 -0.748 1 1 993 . 13 1 1 A 99 99 CYS C C 312 171.965 172.926 -0.961 1 1 994 . 13 1 1 A 99 99 CYS CA C 312 56.347 57.465 -1.118 1 1 995 . 13 1 1 A 99 99 CYS CB C 312 51.093 29.043 22.050 1 1 996 . 13 1 1 A 99 99 CYS N N 312 124.548 123.291 1.257 1 1 997 . 13 1 1 A 100 100 CYS H H 313 9.116 9.222 -0.106 1 1 998 . 13 1 1 A 100 100 CYS HA H 313 5.880 4.665 1.215 1 1 1001 . 13 1 1 A 100 100 CYS C C 313 173.635 174.566 -0.931 1 1 1002 . 13 1 1 A 100 100 CYS CA C 313 55.906 59.054 -3.148 1 1 1003 . 13 1 1 A 100 100 CYS CB C 313 52.685 28.927 23.758 1 1 1004 . 13 1 1 A 100 100 CYS N N 313 127.015 126.317 0.698 1 1 1005 . 13 1 1 A 101 101 ILE H H 314 8.896 8.600 0.296 1 1 1006 . 13 1 1 A 101 101 ILE HA H 314 4.737 4.971 -0.234 1 1 1016 . 13 1 1 A 101 101 ILE C C 314 172.277 175.422 -3.145 1 1 1017 . 13 1 1 A 101 101 ILE CA C 314 60.937 59.748 1.189 1 1 1018 . 13 1 1 A 101 101 ILE CB C 314 40.848 41.464 -0.616 1 1 1022 . 13 1 1 A 101 101 ILE N N 314 121.994 123.115 -1.121 1 1 1023 . 13 1 1 A 102 102 LEU H H 315 8.951 8.421 0.530 1 1 1024 . 13 1 1 A 102 102 LEU HA H 315 5.285 4.376 0.909 1 1 1029 . 13 1 1 A 102 102 LEU C C 315 174.789 176.558 -1.769 1 1 1030 . 13 1 1 A 102 102 LEU CA C 315 52.489 56.355 -3.866 1 1 1031 . 13 1 1 A 102 102 LEU CB C 315 40.041 42.485 -2.444 1 1 1034 . 13 1 1 A 102 102 LEU N N 315 127.404 127.759 -0.355 1 1 1035 . 13 1 1 A 103 103 SER H H 316 9.096 8.763 0.333 1 1 1036 . 13 1 1 A 103 103 SER HA H 316 4.680 4.501 0.179 1 1 1039 . 13 1 1 A 103 103 SER C C 316 174.555 173.598 0.957 1 1 1040 . 13 1 1 A 103 103 SER CA C 316 56.403 59.139 -2.736 1 1 1041 . 13 1 1 A 103 103 SER CB C 316 63.224 63.370 -0.146 1 1 1042 . 13 1 1 A 103 103 SER N N 316 113.273 122.750 -9.477 1 1 1043 . 13 1 1 A 104 104 HIS H H 317 7.515 8.659 -1.144 1 1 1044 . 13 1 1 A 104 104 HIS HA H 317 5.214 5.120 0.094 1 1 1048 . 13 1 1 A 104 104 HIS C C 317 175.667 175.876 -0.209 1 1 1049 . 13 1 1 A 104 104 HIS CA C 317 56.371 54.103 2.268 1 1 1050 . 13 1 1 A 104 104 HIS CB C 317 34.676 32.657 2.019 1 1 1052 . 13 1 1 A 104 104 HIS N N 317 114.740 128.873 -14.133 1 1 1053 . 13 1 1 A 105 105 GLY H H 318 8.368 8.363 0.005 1 1 1054 . 13 1 1 A 105 105 GLY C C 318 169.470 173.521 -4.051 1 1 1055 . 13 1 1 A 105 105 GLY CA C 318 45.558 46.801 -1.243 1 1 1056 . 13 1 1 A 105 105 GLY N N 318 107.330 112.443 -5.113 1 1 1057 . 13 1 1 A 106 106 ASP H H 319 7.943 7.797 0.146 1 1 1058 . 13 1 1 A 106 106 ASP HA H 319 4.622 4.929 -0.307 1 1 1061 . 13 1 1 A 106 106 ASP C C 319 175.179 175.324 -0.145 1 1 1062 . 13 1 1 A 106 106 ASP CA C 319 53.188 52.157 1.031 1 1 1063 . 13 1 1 A 106 106 ASP CB C 319 43.555 43.555 0.000 1 1 1064 . 13 1 1 A 106 106 ASP N N 319 116.893 119.346 -2.453 1 1 1065 . 13 1 1 A 107 107 LYS H H 320 9.376 8.738 0.638 1 1 1066 . 13 1 1 A 107 107 LYS HA H 320 3.956 4.445 -0.489 1 1 1075 . 13 1 1 A 107 107 LYS C C 320 176.864 177.542 -0.678 1 1 1076 . 13 1 1 A 107 107 LYS CA C 320 58.567 56.914 1.653 1 1 1077 . 13 1 1 A 107 107 LYS CB C 320 30.568 32.266 -1.698 1 1 1081 . 13 1 1 A 107 107 LYS N N 320 122.539 123.250 -0.711 1 1 1082 . 13 1 1 A 108 108 GLY H H 321 9.025 8.296 0.729 1 1 1083 . 13 1 1 A 108 108 GLY C C 321 173.633 175.363 -1.730 1 1 1084 . 13 1 1 A 108 108 GLY CA C 321 45.491 45.478 0.013 1 1 1085 . 13 1 1 A 108 108 GLY N N 321 111.919 107.943 3.976 1 1 1086 . 13 1 1 A 109 109 ILE H H 322 8.157 7.554 0.603 1 1 1087 . 13 1 1 A 109 109 ILE HA H 322 4.994 3.854 1.140 1 1 1097 . 13 1 1 A 109 109 ILE C C 322 174.524 176.298 -1.774 1 1 1098 . 13 1 1 A 109 109 ILE CA C 322 59.009 64.606 -5.597 1 1 1099 . 13 1 1 A 109 109 ILE CB C 322 43.375 37.783 5.592 1 1 1103 . 13 1 1 A 109 109 ILE N N 322 116.465 120.525 -4.060 1 1 1104 . 13 1 1 A 110 110 ILE H H 323 8.443 8.126 0.317 1 1 1105 . 13 1 1 A 110 110 ILE HA H 323 4.530 3.892 0.638 1 1 1115 . 13 1 1 A 110 110 ILE C C 323 174.337 175.272 -0.935 1 1 1116 . 13 1 1 A 110 110 ILE CA C 323 58.547 62.827 -4.280 1 1 1117 . 13 1 1 A 110 110 ILE CB C 323 41.604 35.402 6.202 1 1 1121 . 13 1 1 A 110 110 ILE N N 323 116.661 118.989 -2.328 1 1 1122 . 13 1 1 A 111 111 TYR H H 324 8.584 8.489 0.095 1 1 1123 . 13 1 1 A 111 111 TYR HA H 324 5.557 4.304 1.253 1 1 1128 . 13 1 1 A 111 111 TYR C C 324 178.528 176.586 1.942 1 1 1129 . 13 1 1 A 111 111 TYR CA C 324 56.571 60.780 -4.209 1 1 1130 . 13 1 1 A 111 111 TYR CB C 324 39.984 38.460 1.524 1 1 1133 . 13 1 1 A 111 111 TYR N N 324 119.472 121.879 -2.407 1 1 1134 . 13 1 1 A 112 112 GLY H H 325 8.522 8.223 0.299 1 1 1135 . 13 1 1 A 112 112 GLY C C 325 174.755 175.122 -0.367 1 1 1136 . 13 1 1 A 112 112 GLY CA C 325 43.145 45.722 -2.577 1 1 1137 . 13 1 1 A 112 112 GLY N N 325 107.078 107.851 -0.773 1 1 1138 . 13 1 1 A 113 113 THR H H 326 8.245 8.137 0.108 1 1 1139 . 13 1 1 A 113 113 THR HA H 326 3.186 4.082 -0.896 1 1 1144 . 13 1 1 A 113 113 THR C C 326 173.264 175.475 -2.211 1 1 1145 . 13 1 1 A 113 113 THR CA C 326 64.857 64.730 0.127 1 1 1146 . 13 1 1 A 113 113 THR CB C 326 66.749 69.073 -2.324 1 1 1148 . 13 1 1 A 113 113 THR N N 326 113.146 116.298 -3.152 1 1 1149 . 13 1 1 A 114 114 ASP H H 327 8.801 8.368 0.433 1 1 1150 . 13 1 1 A 114 114 ASP HA H 327 4.099 4.984 -0.885 1 1 1153 . 13 1 1 A 114 114 ASP C C 327 176.262 177.466 -1.204 1 1 1154 . 13 1 1 A 114 114 ASP CA C 327 52.768 55.143 -2.375 1 1 1155 . 13 1 1 A 114 114 ASP CB C 327 39.312 43.965 -4.653 1 1 1156 . 13 1 1 A 114 114 ASP N N 327 112.026 119.975 -7.949 1 1 1157 . 13 1 1 A 115 115 GLY H H 328 8.462 8.141 0.321 1 1 1158 . 13 1 1 A 115 115 GLY HA2 H 328 4.010 3.989 0.021 1 1 1159 . 13 1 1 A 115 115 GLY HA3 H 328 4.010 4.114 -0.104 1 1 1160 . 13 1 1 A 115 115 GLY C C 328 171.918 173.882 -1.964 1 1 1161 . 13 1 1 A 115 115 GLY CA C 328 45.463 46.136 -0.673 1 1 1162 . 13 1 1 A 115 115 GLY N N 328 107.749 107.796 -0.047 1 1 1163 . 13 1 1 A 116 116 GLN H H 329 6.657 7.816 -1.159 1 1 1164 . 13 1 1 A 116 116 GLN HA H 329 4.441 4.856 -0.415 1 1 1170 . 13 1 1 A 116 116 GLN C C 329 174.196 174.347 -0.151 1 1 1171 . 13 1 1 A 116 116 GLN CA C 329 55.204 54.170 1.034 1 1 1172 . 13 1 1 A 116 116 GLN CB C 329 28.541 32.845 -4.304 1 1 1174 . 13 1 1 A 116 116 GLN N N 329 115.146 116.579 -1.433 1 1 1176 . 13 1 1 A 117 117 GLU H H 330 8.624 8.660 -0.036 1 1 1177 . 13 1 1 A 117 117 GLU HA H 330 4.733 5.058 -0.325 1 1 1178 . 13 1 1 A 117 117 GLU C C 330 175.357 175.689 -0.332 1 1 1179 . 13 1 1 A 117 117 GLU CA C 330 55.191 54.437 0.754 1 1 1180 . 13 1 1 A 117 117 GLU CB C 330 32.586 32.909 -0.323 1 1 1182 . 13 1 1 A 117 117 GLU N N 330 119.031 118.605 0.426 1 1 1183 . 13 1 1 A 118 118 ALA H H 331 8.995 8.563 0.432 1 1 1184 . 13 1 1 A 118 118 ALA HA H 331 5.165 4.189 0.976 1 1 1188 . 13 1 1 A 118 118 ALA C C 331 173.650 176.911 -3.261 1 1 1189 . 13 1 1 A 118 118 ALA CA C 331 48.343 54.292 -5.949 1 1 1190 . 13 1 1 A 118 118 ALA CB C 331 20.353 18.262 2.091 1 1 1191 . 13 1 1 A 118 118 ALA N N 331 123.550 120.815 2.735 1 1 1192 . 13 1 1 A 119 119 PRO HA H 332 4.819 4.769 0.050 1 1 1193 . 13 1 1 A 119 119 PRO C C 332 177.819 177.195 0.624 1 1 1194 . 13 1 1 A 119 119 PRO CA C 332 62.007 62.793 -0.786 1 1 1195 . 13 1 1 A 119 119 PRO CB C 332 32.081 32.502 -0.421 1 1 1197 . 13 1 1 A 120 120 ILE H H 333 8.574 9.054 -0.480 1 1 1198 . 13 1 1 A 120 120 ILE HA H 333 3.278 4.046 -0.768 1 1 1206 . 13 1 1 A 120 120 ILE C C 333 177.316 177.437 -0.121 1 1 1207 . 13 1 1 A 120 120 ILE CA C 333 66.025 63.700 2.325 1 1 1208 . 13 1 1 A 120 120 ILE CB C 333 37.991 38.846 -0.855 1 1 1212 . 13 1 1 A 120 120 ILE N N 333 126.740 123.749 2.991 1 1 1213 . 13 1 1 A 121 121 TYR H H 334 9.192 8.335 0.857 1 1 1214 . 13 1 1 A 121 121 TYR HA H 334 3.942 4.168 -0.226 1 1 1219 . 13 1 1 A 121 121 TYR C C 334 177.847 178.337 -0.490 1 1 1220 . 13 1 1 A 121 121 TYR CA C 334 60.688 60.434 0.254 1 1 1221 . 13 1 1 A 121 121 TYR CB C 334 38.803 37.953 0.850 1 1 1224 . 13 1 1 A 121 121 TYR N N 334 117.479 122.237 -4.758 1 1 1225 . 13 1 1 A 122 122 GLU H H 335 7.178 8.182 -1.004 1 1 1226 . 13 1 1 A 122 122 GLU HA H 335 3.751 4.319 -0.568 1 1 1228 . 13 1 1 A 122 122 GLU C C 335 176.427 179.605 -3.178 1 1 1229 . 13 1 1 A 122 122 GLU CA C 335 58.378 58.413 -0.035 1 1 1230 . 13 1 1 A 122 122 GLU CB C 335 29.477 29.306 0.171 1 1 1232 . 13 1 1 A 122 122 GLU N N 335 115.885 120.589 -4.704 1 1 1233 . 13 1 1 A 123 123 LEU H H 336 7.440 8.152 -0.712 1 1 1234 . 13 1 1 A 123 123 LEU HA H 336 4.123 3.969 0.154 1 1 1244 . 13 1 1 A 123 123 LEU C C 336 177.925 179.707 -1.782 1 1 1245 . 13 1 1 A 123 123 LEU CA C 336 56.646 57.938 -1.292 1 1 1246 . 13 1 1 A 123 123 LEU CB C 336 40.661 42.174 -1.513 1 1 1250 . 13 1 1 A 123 123 LEU N N 336 115.934 120.159 -4.225 1 1 1251 . 13 1 1 A 124 124 THR H H 337 8.009 8.019 -0.010 1 1 1252 . 13 1 1 A 124 124 THR HA H 337 3.597 4.005 -0.408 1 1 1257 . 13 1 1 A 124 124 THR C C 337 177.568 176.936 0.632 1 1 1258 . 13 1 1 A 124 124 THR CA C 337 64.110 64.743 -0.633 1 1 1259 . 13 1 1 A 124 124 THR CB C 337 67.603 68.298 -0.695 1 1 1261 . 13 1 1 A 124 124 THR N N 337 107.827 110.058 -2.231 1 1 1262 . 13 1 1 A 125 125 SER H H 338 7.435 8.252 -0.817 1 1 1263 . 13 1 1 A 125 125 SER HA H 338 3.723 4.046 -0.323 1 1 1266 . 13 1 1 A 125 125 SER C C 338 174.040 176.402 -2.362 1 1 1267 . 13 1 1 A 125 125 SER CA C 338 60.514 61.270 -0.756 1 1 1268 . 13 1 1 A 125 125 SER CB C 338 62.391 63.173 -0.782 1 1 1269 . 13 1 1 A 125 125 SER N N 338 112.670 117.521 -4.851 1 1 1270 . 13 1 1 A 126 126 GLN H H 339 7.071 8.243 -1.172 1 1 1271 . 13 1 1 A 126 126 GLN HA H 339 3.850 4.150 -0.300 1 1 1276 . 13 1 1 A 126 126 GLN C C 339 173.915 176.936 -3.021 1 1 1277 . 13 1 1 A 126 126 GLN CA C 339 56.106 57.257 -1.151 1 1 1278 . 13 1 1 A 126 126 GLN CB C 339 27.028 28.153 -1.125 1 1 1280 . 13 1 1 A 126 126 GLN N N 339 117.347 119.087 -1.740 1 1 1281 . 13 1 1 A 127 127 PHE H H 340 7.355 8.531 -1.176 1 1 1282 . 13 1 1 A 127 127 PHE HA H 340 4.515 4.754 -0.239 1 1 1285 . 13 1 1 A 127 127 PHE C C 340 175.241 175.682 -0.441 1 1 1286 . 13 1 1 A 127 127 PHE CA C 340 57.914 57.004 0.910 1 1 1287 . 13 1 1 A 127 127 PHE CB C 340 38.496 38.998 -0.502 1 1 1288 . 13 1 1 A 127 127 PHE N N 340 110.412 115.953 -5.541 1 1 1289 . 13 1 1 A 128 128 THR H H 341 6.785 7.320 -0.535 1 1 1290 . 13 1 1 A 128 128 THR HA H 341 4.294 4.198 0.096 1 1 1295 . 13 1 1 A 128 128 THR C C 341 174.727 175.640 -0.913 1 1 1296 . 13 1 1 A 128 128 THR CA C 341 62.016 63.716 -1.700 1 1 1297 . 13 1 1 A 128 128 THR CB C 341 69.757 68.575 1.182 1 1 1299 . 13 1 1 A 128 128 THR N N 341 107.455 115.277 -7.822 1 1 1300 . 13 1 1 A 129 129 GLY H H 342 10.506 8.935 1.571 1 1 1301 . 13 1 1 A 129 129 GLY HA2 H 342 3.841 3.868 -0.027 1 1 1302 . 13 1 1 A 129 129 GLY HA3 H 342 3.648 3.890 -0.242 1 1 1303 . 13 1 1 A 129 129 GLY C C 342 175.631 174.845 0.786 1 1 1304 . 13 1 1 A 129 129 GLY CA C 342 47.056 46.867 0.189 1 1 1305 . 13 1 1 A 129 129 GLY N N 342 111.023 114.127 -3.104 1 1 1306 . 13 1 1 A 130 130 LEU H H 343 8.003 7.953 0.050 1 1 1307 . 13 1 1 A 130 130 LEU HA H 343 4.135 4.294 -0.159 1 1 1317 . 13 1 1 A 130 130 LEU C C 343 178.627 177.669 0.958 1 1 1318 . 13 1 1 A 130 130 LEU CA C 343 56.606 55.554 1.052 1 1 1319 . 13 1 1 A 130 130 LEU CB C 343 42.399 42.175 0.224 1 1 1323 . 13 1 1 A 130 130 LEU N N 343 116.983 120.730 -3.747 1 1 1324 . 13 1 1 A 131 131 LYS H H 344 6.961 8.164 -1.203 1 1 1325 . 13 1 1 A 131 131 LYS HA H 344 4.001 4.397 -0.396 1 1 1333 . 13 1 1 A 131 131 LYS C C 344 176.224 176.556 -0.332 1 1 1334 . 13 1 1 A 131 131 LYS CA C 344 57.534 56.667 0.867 1 1 1335 . 13 1 1 A 131 131 LYS CB C 344 33.404 35.047 -1.643 1 1 1339 . 13 1 1 A 131 131 LYS N N 344 116.907 116.617 0.290 1 1 1340 . 13 1 1 A 132 132 CYS H H 345 8.564 8.023 0.541 1 1 1341 . 13 1 1 A 132 132 CYS HA H 345 4.930 4.755 0.175 1 1 1344 . 13 1 1 A 132 132 CYS C C 345 172.261 173.955 -1.694 1 1 1345 . 13 1 1 A 132 132 CYS CA C 345 56.566 56.298 0.268 1 1 1346 . 13 1 1 A 132 132 CYS CB C 345 49.011 30.561 18.450 1 1 1347 . 13 1 1 A 132 132 CYS N N 345 117.718 115.711 2.007 1 1 1348 . 13 1 1 A 133 133 PRO HA H 346 4.719 4.377 0.342 1 1 1354 . 13 1 1 A 133 133 PRO C C 346 179.500 177.967 1.533 1 1 1355 . 13 1 1 A 133 133 PRO CA C 346 62.681 65.871 -3.190 1 1 1356 . 13 1 1 A 133 133 PRO CB C 346 34.366 31.514 2.852 1 1 1359 . 13 1 1 A 134 134 SER H H 347 8.896 8.160 0.736 1 1 1360 . 13 1 1 A 134 134 SER HA H 347 4.415 4.362 0.053 1 1 1363 . 13 1 1 A 134 134 SER C C 347 174.434 173.555 0.879 1 1 1364 . 13 1 1 A 134 134 SER CA C 347 60.509 58.938 1.571 1 1 1365 . 13 1 1 A 134 134 SER CB C 347 62.207 60.917 1.290 1 1 1366 . 13 1 1 A 134 134 SER N N 347 112.882 111.506 1.376 1 1 1367 . 13 1 1 A 135 135 LEU H H 348 7.549 8.283 -0.734 1 1 1368 . 13 1 1 A 135 135 LEU HA H 348 4.466 4.013 0.453 1 1 1378 . 13 1 1 A 135 135 LEU C C 348 176.458 177.238 -0.780 1 1 1379 . 13 1 1 A 135 135 LEU CA C 348 53.787 56.393 -2.606 1 1 1380 . 13 1 1 A 135 135 LEU CB C 348 44.189 39.367 4.822 1 1 1384 . 13 1 1 A 135 135 LEU N N 348 118.501 113.730 4.771 1 1 1385 . 13 1 1 A 136 136 ALA H H 349 7.776 8.497 -0.721 1 1 1386 . 13 1 1 A 136 136 ALA HA H 349 4.056 4.143 -0.087 1 1 1390 . 13 1 1 A 136 136 ALA C C 349 178.620 179.988 -1.368 1 1 1391 . 13 1 1 A 136 136 ALA CA C 349 54.406 55.395 -0.989 1 1 1392 . 13 1 1 A 136 136 ALA CB C 349 17.934 18.274 -0.340 1 1 1393 . 13 1 1 A 136 136 ALA N N 349 125.801 121.390 4.411 1 1 1394 . 13 1 1 A 137 137 GLY H H 350 9.371 8.483 0.888 1 1 1395 . 13 1 1 A 137 137 GLY C C 350 173.026 174.530 -1.504 1 1 1396 . 13 1 1 A 137 137 GLY CA C 350 45.132 45.722 -0.590 1 1 1397 . 13 1 1 A 137 137 GLY N N 350 111.181 106.060 5.121 1 1 1398 . 13 1 1 A 138 138 LYS H H 351 8.038 7.648 0.390 1 1 1399 . 13 1 1 A 138 138 LYS HA H 351 4.660 4.503 0.157 1 1 1400 . 13 1 1 A 138 138 LYS C C 351 172.078 174.639 -2.561 1 1 1401 . 13 1 1 A 138 138 LYS CA C 351 52.728 54.770 -2.042 1 1 1402 . 13 1 1 A 138 138 LYS CB C 351 32.069 31.412 0.657 1 1 1404 . 13 1 1 A 138 138 LYS N N 351 119.821 120.483 -0.662 1 1 1405 . 13 1 1 A 139 139 PRO HA H 352 4.300 4.802 -0.502 1 1 1412 . 13 1 1 A 139 139 PRO C C 352 173.954 176.260 -2.306 1 1 1413 . 13 1 1 A 139 139 PRO CA C 352 62.595 63.146 -0.551 1 1 1414 . 13 1 1 A 139 139 PRO CB C 352 31.399 33.033 -1.634 1 1 1417 . 13 1 1 A 140 140 LYS H H 353 8.188 8.603 -0.415 1 1 1418 . 13 1 1 A 140 140 LYS HA H 353 4.610 4.981 -0.371 1 1 1419 . 13 1 1 A 140 140 LYS C C 353 173.494 173.983 -0.489 1 1 1420 . 13 1 1 A 140 140 LYS CA C 353 55.344 54.910 0.434 1 1 1421 . 13 1 1 A 140 140 LYS CB C 353 32.527 36.444 -3.917 1 1 1423 . 13 1 1 A 140 140 LYS N N 353 123.304 116.441 6.863 1 1 1424 . 13 1 1 A 141 141 VAL H H 354 8.344 8.537 -0.193 1 1 1425 . 13 1 1 A 141 141 VAL HA H 354 4.533 4.689 -0.156 1 1 1433 . 13 1 1 A 141 141 VAL C C 354 172.277 174.504 -2.227 1 1 1434 . 13 1 1 A 141 141 VAL CA C 354 60.596 60.867 -0.271 1 1 1435 . 13 1 1 A 141 141 VAL CB C 354 33.580 33.341 0.239 1 1 1438 . 13 1 1 A 141 141 VAL N N 354 122.550 122.192 0.358 1 1 1439 . 13 1 1 A 142 142 PHE H H 355 8.985 9.037 -0.052 1 1 1440 . 13 1 1 A 142 142 PHE HA H 355 5.436 4.965 0.471 1 1 1441 . 13 1 1 A 142 142 PHE C C 355 173.666 174.491 -0.825 1 1 1442 . 13 1 1 A 142 142 PHE CA C 355 54.968 56.076 -1.108 1 1 1443 . 13 1 1 A 142 142 PHE CB C 355 42.877 40.621 2.256 1 1 1444 . 13 1 1 A 142 142 PHE N N 355 123.850 125.456 -1.606 1 1 1445 . 13 1 1 A 143 143 PHE H H 356 8.584 8.889 -0.305 1 1 1446 . 13 1 1 A 143 143 PHE HA H 356 5.934 5.115 0.819 1 1 1449 . 13 1 1 A 143 143 PHE C C 356 174.526 175.390 -0.864 1 1 1450 . 13 1 1 A 143 143 PHE CA C 356 55.909 57.724 -1.815 1 1 1451 . 13 1 1 A 143 143 PHE CB C 356 39.923 41.255 -1.332 1 1 1454 . 13 1 1 A 143 143 PHE N N 356 119.801 123.066 -3.265 1 1 1455 . 13 1 1 A 144 144 ILE H H 357 9.020 8.933 0.087 1 1 1456 . 13 1 1 A 144 144 ILE HA H 357 5.040 4.847 0.193 1 1 1466 . 13 1 1 A 144 144 ILE C C 357 173.323 173.934 -0.611 1 1 1467 . 13 1 1 A 144 144 ILE CA C 357 59.479 59.478 0.001 1 1 1468 . 13 1 1 A 144 144 ILE CB C 357 40.898 41.856 -0.958 1 1 1472 . 13 1 1 A 144 144 ILE N N 357 121.194 120.105 1.089 1 1 1473 . 13 1 1 A 145 145 GLN H H 358 8.856 8.621 0.235 1 1 1474 . 13 1 1 A 145 145 GLN HA H 358 4.670 4.864 -0.194 1 1 1475 . 13 1 1 A 145 145 GLN C C 358 171.591 174.805 -3.214 1 1 1476 . 13 1 1 A 145 145 GLN CA C 358 53.648 55.094 -1.446 1 1 1477 . 13 1 1 A 145 145 GLN CB C 358 30.373 29.632 0.741 1 1 1479 . 13 1 1 A 145 145 GLN N N 358 128.880 127.405 1.475 1 1 1480 . 13 1 1 A 146 146 ALA H H 359 8.418 9.086 -0.668 1 1 1481 . 13 1 1 A 146 146 ALA HA H 359 5.247 5.046 0.201 1 1 1485 . 13 1 1 A 146 146 ALA C C 359 175.319 176.623 -1.304 1 1 1486 . 13 1 1 A 146 146 ALA CA C 359 50.243 50.712 -0.469 1 1 1487 . 13 1 1 A 146 146 ALA CB C 359 18.786 20.570 -1.784 1 1 1488 . 13 1 1 A 146 146 ALA N N 359 128.349 128.535 -0.186 1 1 1489 . 13 1 1 A 147 147 ALA H H 360 8.161 9.172 -1.011 1 1 1490 . 13 1 1 A 147 147 ALA HA H 360 4.343 5.201 -0.858 1 1 1494 . 13 1 1 A 147 147 ALA C C 360 177.238 175.496 1.742 1 1 1495 . 13 1 1 A 147 147 ALA CA C 360 52.078 50.465 1.613 1 1 1496 . 13 1 1 A 147 147 ALA CB C 360 20.003 23.652 -3.649 1 1 1497 . 13 1 1 A 147 147 ALA N N 360 123.005 125.468 -2.463 1 1 1498 . 13 1 1 A 148 148 GLN H H 361 8.461 8.850 -0.389 1 1 1499 . 13 1 1 A 148 148 GLN HA H 361 4.663 4.862 -0.199 1 1 1504 . 13 1 1 A 148 148 GLN C C 361 176.333 175.155 1.178 1 1 1505 . 13 1 1 A 148 148 GLN CA C 361 55.760 54.247 1.513 1 1 1506 . 13 1 1 A 148 148 GLN CB C 361 29.937 32.644 -2.707 1 1 1508 . 13 1 1 A 148 148 GLN N N 361 120.296 118.438 1.858 1 1 1509 . 13 1 1 A 149 149 GLY H H 362 8.631 8.786 -0.155 1 1 1510 . 13 1 1 A 149 149 GLY HA2 H 362 3.858 4.036 -0.178 1 1 1511 . 13 1 1 A 149 149 GLY HA3 H 362 3.858 4.057 -0.199 1 1 1512 . 13 1 1 A 149 149 GLY C C 362 172.022 172.940 -0.918 1 1 1513 . 13 1 1 A 149 149 GLY CA C 362 44.969 45.221 -0.252 1 1 1514 . 13 1 1 A 149 149 GLY N N 362 109.782 113.208 -3.426 1 1 1515 . 13 1 1 A 150 150 ASP H H 363 7.566 8.709 -1.143 1 1 1516 . 13 1 1 A 150 150 ASP HA H 363 4.661 4.486 0.175 1 1 1519 . 13 1 1 A 150 150 ASP C C 363 174.446 176.988 -2.542 1 1 1520 . 13 1 1 A 150 150 ASP CA C 363 57.776 54.830 2.946 1 1 1521 . 13 1 1 A 150 150 ASP CB C 363 39.423 41.171 -1.748 1 1 1522 . 13 1 1 A 150 150 ASP N N 363 118.182 119.841 -1.659 1 1 1523 . 13 1 1 A 153 153 GLN HA H 366 4.665 3.983 0.682 1 1 1530 . 13 1 1 A 153 153 GLN CA C 366 53.779 57.689 -3.910 1 1 1531 . 13 1 1 A 153 153 GLN CB C 366 28.988 28.501 0.487 1 1 1534 . 13 1 1 A 155 155 GLY HA2 H 368 3.899 4.093 -0.194 1 1 1535 . 13 1 1 A 155 155 GLY HA3 H 368 3.899 4.135 -0.236 1 1 1536 . 13 1 1 A 155 155 GLY CA C 368 45.013 45.215 -0.202 1 1 1537 . 13 1 1 A 156 156 ILE H H 369 7.871 8.250 -0.379 1 1 1538 . 13 1 1 A 156 156 ILE HA H 369 4.428 4.840 -0.412 1 1 1548 . 13 1 1 A 156 156 ILE C C 369 174.196 175.327 -1.131 1 1 1549 . 13 1 1 A 156 156 ILE CA C 369 58.676 57.297 1.379 1 1 1550 . 13 1 1 A 156 156 ILE CB C 369 38.516 40.206 -1.690 1 1 1554 . 13 1 1 A 156 156 ILE N N 369 120.958 120.532 0.426 1 1 1555 . 13 1 1 A 157 157 PRO HA H 370 4.386 4.599 -0.213 1 1 1562 . 13 1 1 A 157 157 PRO C C 370 176.218 176.611 -0.393 1 1 1563 . 13 1 1 A 157 157 PRO CA C 370 63.431 64.068 -0.637 1 1 1564 . 13 1 1 A 157 157 PRO CB C 370 31.913 31.842 0.071 1 1 1567 . 13 1 1 A 158 158 VAL H H 371 8.137 7.559 0.578 1 1 1568 . 13 1 1 A 158 158 VAL HA H 371 4.089 3.955 0.134 1 1 1576 . 13 1 1 A 158 158 VAL C C 371 175.904 175.372 0.532 1 1 1577 . 13 1 1 A 158 158 VAL CA C 371 62.121 61.488 0.633 1 1 1578 . 13 1 1 A 158 158 VAL CB C 371 32.958 32.399 0.559 1 1 1581 . 13 1 1 A 158 158 VAL N N 371 119.640 115.897 3.743 1 1 1582 . 13 1 1 A 159 159 GLU H H 372 8.523 8.858 -0.335 1 1 1583 . 13 1 1 A 159 159 GLU HA H 372 4.345 4.538 -0.193 1 1 1588 . 13 1 1 A 159 159 GLU C C 372 176.068 176.275 -0.207 1 1 1589 . 13 1 1 A 159 159 GLU CA C 372 56.474 57.095 -0.621 1 1 1590 . 13 1 1 A 159 159 GLU CB C 372 30.078 31.707 -1.629 1 1 1592 . 13 1 1 A 159 159 GLU N N 372 123.765 123.342 0.423 1 1 1593 . 13 1 1 A 160 160 THR H H 373 8.096 7.578 0.518 1 1 1594 . 13 1 1 A 160 160 THR HA H 373 4.311 4.644 -0.333 1 1 1599 . 13 1 1 A 160 160 THR C C 373 173.701 173.415 0.286 1 1 1600 . 13 1 1 A 160 160 THR CA C 373 61.845 61.096 0.749 1 1 1601 . 13 1 1 A 160 160 THR CB C 373 69.760 71.310 -1.550 1 1 1603 . 13 1 1 A 160 160 THR N N 373 114.143 114.911 -0.768 1 1 1604 . 13 1 1 A 161 161 ASP H H 374 8.387 8.409 -0.022 1 1 1605 . 13 1 1 A 161 161 ASP HA H 374 4.625 4.458 0.167 1 1 1608 . 13 1 1 A 161 161 ASP C C 374 175.806 176.042 -0.236 1 1 1609 . 13 1 1 A 161 161 ASP CA C 374 54.478 54.963 -0.485 1 1 1610 . 13 1 1 A 161 161 ASP CB C 374 41.096 41.664 -0.568 1 1 1611 . 13 1 1 A 161 161 ASP N N 374 122.070 123.815 -1.745 1 1 1612 . 13 1 1 A 162 162 SER H H 375 8.175 8.562 -0.387 1 1 1613 . 13 1 1 A 162 162 SER HA H 375 4.385 4.706 -0.321 1 1 1616 . 13 1 1 A 162 162 SER C C 375 174.169 173.731 0.438 1 1 1617 . 13 1 1 A 162 162 SER CA C 375 58.631 57.828 0.803 1 1 1618 . 13 1 1 A 162 162 SER CB C 375 63.814 62.346 1.468 1 1 1619 . 13 1 1 A 162 162 SER N N 375 115.346 119.166 -3.820 1 1 1620 . 13 1 1 A 163 163 GLU H H 376 8.424 8.473 -0.049 1 1 1621 . 13 1 1 A 163 163 GLU HA H 376 4.263 4.189 0.074 1 1 1626 . 13 1 1 A 163 163 GLU C C 376 175.959 177.846 -1.887 1 1 1627 . 13 1 1 A 163 163 GLU CA C 376 56.567 57.211 -0.644 1 1 1628 . 13 1 1 A 163 163 GLU CB C 376 30.044 31.491 -1.447 1 1 1630 . 13 1 1 A 163 163 GLU N N 376 122.034 127.296 -5.262 1 1 1631 . 13 1 1 A 164 164 GLU H H 377 8.298 9.009 -0.711 1 1 1632 . 13 1 1 A 164 164 GLU HA H 377 4.224 4.085 0.139 1 1 1637 . 13 1 1 A 164 164 GLU C C 377 175.816 178.349 -2.533 1 1 1638 . 13 1 1 A 164 164 GLU CA C 377 56.489 59.367 -2.878 1 1 1639 . 13 1 1 A 164 164 GLU CB C 377 30.220 29.294 0.926 1 1 1641 . 13 1 1 A 164 164 GLU N N 377 120.980 125.234 -4.254 1 1 1642 . 13 1 1 A 165 165 GLN H H 378 8.340 7.650 0.690 1 1 1643 . 13 1 1 A 165 165 GLN HA H 378 4.563 4.255 0.308 1 1 1645 . 13 1 1 A 165 165 GLN C C 378 173.510 176.034 -2.524 1 1 1646 . 13 1 1 A 165 165 GLN CA C 378 53.530 59.271 -5.741 1 1 1647 . 13 1 1 A 165 165 GLN CB C 378 28.816 29.669 -0.853 1 1 1649 . 13 1 1 A 165 165 GLN N N 378 121.693 119.102 2.591 1 1 1650 . 13 1 1 A 166 166 PRO HA H 379 4.381 4.341 0.040 1 1 1657 . 13 1 1 A 166 166 PRO C C 379 176.081 175.430 0.651 1 1 1658 . 13 1 1 A 166 166 PRO CA C 379 63.260 62.277 0.983 1 1 1659 . 13 1 1 A 166 166 PRO CB C 379 32.010 33.002 -0.992 1 1 1662 . 13 1 1 A 167 167 TYR H H 380 8.116 8.676 -0.560 1 1 1663 . 13 1 1 A 167 167 TYR HA H 380 4.513 5.149 -0.636 1 1 1668 . 13 1 1 A 167 167 TYR C C 380 174.992 172.714 2.278 1 1 1669 . 13 1 1 A 167 167 TYR CA C 380 57.699 56.504 1.195 1 1 1670 . 13 1 1 A 167 167 TYR CB C 380 38.344 40.581 -2.237 1 1 1673 . 13 1 1 A 167 167 TYR N N 380 119.531 116.186 3.345 1 1 1674 . 13 1 1 A 168 168 LEU H H 381 7.953 8.753 -0.800 1 1 1675 . 13 1 1 A 168 168 LEU HA H 381 4.267 5.107 -0.840 1 1 1685 . 13 1 1 A 168 168 LEU C C 381 176.162 176.575 -0.413 1 1 1686 . 13 1 1 A 168 168 LEU CA C 381 54.808 53.462 1.346 1 1 1687 . 13 1 1 A 168 168 LEU CB C 381 42.735 45.170 -2.435 1 1 1691 . 13 1 1 A 168 168 LEU N N 381 124.133 120.136 3.997 1 1 1692 . 13 1 1 A 169 169 GLU H H 382 8.190 8.658 -0.468 1 1 1693 . 13 1 1 A 169 169 GLU HA H 382 4.167 4.317 -0.150 1 1 1698 . 13 1 1 A 169 169 GLU C C 382 175.881 177.304 -1.423 1 1 1699 . 13 1 1 A 169 169 GLU CA C 382 56.655 56.438 0.217 1 1 1700 . 13 1 1 A 169 169 GLU CB C 382 30.058 30.759 -0.701 1 1 1702 . 13 1 1 A 169 169 GLU N N 382 121.131 120.108 1.023 1 1 1703 . 13 1 1 A 170 170 MET H H 383 8.214 8.754 -0.540 1 1 1704 . 13 1 1 A 170 170 MET HA H 383 4.377 4.473 -0.096 1 1 1709 . 13 1 1 A 170 170 MET C C 383 175.132 176.288 -1.156 1 1 1710 . 13 1 1 A 170 170 MET CA C 383 55.606 57.360 -1.754 1 1 1711 . 13 1 1 A 170 170 MET CB C 383 33.091 33.031 0.060 1 1 1713 . 13 1 1 A 170 170 MET N N 383 120.601 120.680 -0.079 1 1 1714 . 13 1 1 A 171 171 ASP H H 384 8.358 7.786 0.572 1 1 1715 . 13 1 1 A 171 171 ASP HA H 384 4.575 4.992 -0.417 1 1 1718 . 13 1 1 A 171 171 ASP C C 384 175.966 174.835 1.131 1 1 1719 . 13 1 1 A 171 171 ASP CA C 384 53.741 52.922 0.819 1 1 1720 . 13 1 1 A 171 171 ASP CB C 384 40.571 43.264 -2.693 1 1 1721 . 13 1 1 A 171 171 ASP N N 384 121.104 113.471 7.633 1 1 1722 . 13 1 1 A 172 172 LEU H H 385 8.285 8.441 -0.156 1 1 1723 . 13 1 1 A 172 172 LEU HA H 385 4.305 4.382 -0.077 1 1 1733 . 13 1 1 A 172 172 LEU C C 385 177.140 178.224 -1.084 1 1 1734 . 13 1 1 A 172 172 LEU CA C 385 55.122 54.285 0.837 1 1 1735 . 13 1 1 A 172 172 LEU CB C 385 41.851 43.447 -1.596 1 1 1739 . 13 1 1 A 172 172 LEU N N 385 123.115 118.443 4.672 1 1 1740 . 13 1 1 A 173 173 SER H H 386 8.290 8.792 -0.502 1 1 1741 . 13 1 1 A 173 173 SER N N 386 115.101 115.796 -0.695 1 1 1742 . 13 1 1 A 176 176 GLN HA H 389 4.383 4.827 -0.444 1 1 1749 . 13 1 1 A 176 176 GLN CA C 389 55.991 54.752 1.239 1 1 1750 . 13 1 1 A 176 176 GLN CB C 389 29.280 32.674 -3.394 1 1 1753 . 13 1 1 A 177 177 THR H H 390 6.958 8.559 -1.601 1 1 1754 . 13 1 1 A 177 177 THR HA H 390 3.970 4.565 -0.595 1 1 1759 . 13 1 1 A 177 177 THR C C 390 172.764 173.838 -1.074 1 1 1760 . 13 1 1 A 177 177 THR CA C 390 62.221 61.353 0.868 1 1 1761 . 13 1 1 A 177 177 THR CB C 390 69.382 70.349 -0.967 1 1 1763 . 13 1 1 A 177 177 THR N N 390 115.463 115.829 -0.366 1 1 1764 . 13 1 1 A 178 178 ARG H H 391 7.873 8.584 -0.711 1 1 1765 . 13 1 1 A 178 178 ARG C C 391 174.982 174.706 0.276 1 1 1766 . 13 1 1 A 178 178 ARG CA C 391 55.266 54.619 0.647 1 1 1767 . 13 1 1 A 178 178 ARG CB C 391 31.052 31.597 -0.545 1 1 1769 . 13 1 1 A 178 178 ARG N N 391 122.116 122.895 -0.779 1 1 1770 . 13 1 1 A 179 179 TYR H H 392 8.812 9.164 -0.352 1 1 1771 . 13 1 1 A 179 179 TYR HA H 392 4.621 5.153 -0.532 1 1 1776 . 13 1 1 A 179 179 TYR C C 392 174.337 174.763 -0.426 1 1 1777 . 13 1 1 A 179 179 TYR CA C 392 57.444 56.769 0.675 1 1 1778 . 13 1 1 A 179 179 TYR CB C 392 40.623 38.651 1.972 1 1 1781 . 13 1 1 A 179 179 TYR N N 392 118.296 126.715 -8.419 1 1 1782 . 13 1 1 A 180 180 ILE H H 393 7.254 8.423 -1.169 1 1 1783 . 13 1 1 A 180 180 ILE HA H 393 4.610 4.508 0.102 1 1 1793 . 13 1 1 A 180 180 ILE C C 393 171.654 173.552 -1.898 1 1 1794 . 13 1 1 A 180 180 ILE CA C 393 56.916 58.644 -1.728 1 1 1795 . 13 1 1 A 180 180 ILE CB C 393 39.736 38.926 0.810 1 1 1799 . 13 1 1 A 180 180 ILE N N 393 108.609 124.141 -15.532 1 1 1800 . 13 1 1 A 181 181 PRO HA H 394 4.709 4.760 -0.051 1 1 1807 . 13 1 1 A 181 181 PRO C C 394 173.910 175.440 -1.530 1 1 1808 . 13 1 1 A 181 181 PRO CA C 394 62.144 62.578 -0.434 1 1 1809 . 13 1 1 A 181 181 PRO CB C 394 32.527 33.516 -0.989 1 1 1812 . 13 1 1 A 182 182 ASP H H 395 8.296 8.228 0.068 1 1 1813 . 13 1 1 A 182 182 ASP HA H 395 4.665 4.706 -0.041 1 1 1816 . 13 1 1 A 182 182 ASP C C 395 175.120 176.390 -1.270 1 1 1817 . 13 1 1 A 182 182 ASP CA C 395 52.455 53.544 -1.089 1 1 1818 . 13 1 1 A 182 182 ASP CB C 395 38.742 40.427 -1.685 1 1 1819 . 13 1 1 A 182 182 ASP N N 395 120.042 117.828 2.214 1 1 1820 . 13 1 1 A 183 183 GLU H H 396 7.651 7.817 -0.166 1 1 1821 . 13 1 1 A 183 183 GLU HA H 396 4.492 4.428 0.064 1 1 1826 . 13 1 1 A 183 183 GLU C C 396 173.702 176.561 -2.859 1 1 1827 . 13 1 1 A 183 183 GLU CA C 396 54.897 56.922 -2.025 1 1 1828 . 13 1 1 A 183 183 GLU CB C 396 32.509 30.526 1.983 1 1 1830 . 13 1 1 A 183 183 GLU N N 396 117.840 119.998 -2.158 1 1 1831 . 13 1 1 A 184 184 ALA H H 397 8.365 8.367 -0.002 1 1 1832 . 13 1 1 A 184 184 ALA HA H 397 4.394 4.689 -0.295 1 1 1836 . 13 1 1 A 184 184 ALA C C 397 175.829 176.817 -0.988 1 1 1837 . 13 1 1 A 184 184 ALA CA C 397 52.770 50.842 1.928 1 1 1838 . 13 1 1 A 184 184 ALA CB C 397 20.682 19.326 1.356 1 1 1839 . 13 1 1 A 184 184 ALA N N 397 121.613 129.230 -7.617 1 1 1840 . 13 1 1 A 185 185 ASP H H 398 7.245 8.051 -0.806 1 1 1841 . 13 1 1 A 185 185 ASP HA H 398 4.092 4.687 -0.595 1 1 1844 . 13 1 1 A 185 185 ASP C C 398 172.730 173.892 -1.162 1 1 1845 . 13 1 1 A 185 185 ASP CA C 398 56.144 52.787 3.357 1 1 1846 . 13 1 1 A 185 185 ASP CB C 398 39.841 41.778 -1.937 1 1 1847 . 13 1 1 A 185 185 ASP N N 398 105.829 119.767 -13.938 1 1 1848 . 13 1 1 A 186 186 PHE H H 399 8.467 7.382 1.085 1 1 1849 . 13 1 1 A 186 186 PHE HA H 399 5.486 5.132 0.354 1 1 1852 . 13 1 1 A 186 186 PHE C C 399 176.218 174.330 1.888 1 1 1853 . 13 1 1 A 186 186 PHE CA C 399 57.959 56.419 1.540 1 1 1854 . 13 1 1 A 186 186 PHE CB C 399 44.529 43.221 1.308 1 1 1855 . 13 1 1 A 186 186 PHE N N 399 116.177 118.303 -2.126 1 1 1856 . 13 1 1 A 187 187 LEU H H 400 8.964 8.584 0.380 1 1 1857 . 13 1 1 A 187 187 LEU HA H 400 4.963 5.073 -0.110 1 1 1867 . 13 1 1 A 187 187 LEU C C 400 171.747 175.057 -3.310 1 1 1868 . 13 1 1 A 187 187 LEU CA C 400 55.422 53.884 1.538 1 1 1869 . 13 1 1 A 187 187 LEU CB C 400 45.641 43.951 1.690 1 1 1873 . 13 1 1 A 187 187 LEU N N 400 121.383 123.263 -1.880 1 1 1874 . 13 1 1 A 188 188 LEU H H 401 9.312 9.142 0.170 1 1 1875 . 13 1 1 A 188 188 LEU HA H 401 5.580 5.347 0.233 1 1 1885 . 13 1 1 A 188 188 LEU C C 401 173.853 177.088 -3.235 1 1 1886 . 13 1 1 A 188 188 LEU CA C 401 53.421 53.511 -0.090 1 1 1887 . 13 1 1 A 188 188 LEU CB C 401 45.403 45.486 -0.083 1 1 1891 . 13 1 1 A 188 188 LEU N N 401 128.151 129.371 -1.220 1 1 1892 . 13 1 1 A 189 189 GLY H H 402 9.415 8.962 0.453 1 1 1893 . 13 1 1 A 189 189 GLY HA2 H 402 4.670 4.210 0.460 1 1 1894 . 13 1 1 A 189 189 GLY HA3 H 402 3.663 4.282 -0.619 1 1 1895 . 13 1 1 A 189 189 GLY C C 402 171.014 174.310 -3.296 1 1 1896 . 13 1 1 A 189 189 GLY CA C 402 44.967 45.538 -0.571 1 1 1897 . 13 1 1 A 189 189 GLY N N 402 115.881 114.276 1.605 1 1 1898 . 13 1 1 A 190 190 MET H H 403 8.118 7.761 0.357 1 1 1899 . 13 1 1 A 190 190 MET HA H 403 5.314 4.619 0.695 1 1 1907 . 13 1 1 A 190 190 MET C C 403 173.744 174.914 -1.170 1 1 1908 . 13 1 1 A 190 190 MET CA C 403 53.284 54.236 -0.952 1 1 1909 . 13 1 1 A 190 190 MET CB C 403 36.614 31.157 5.457 1 1 1912 . 13 1 1 A 190 190 MET N N 403 122.165 120.275 1.890 1 1 1934 . 13 1 1 A 203 203 ALA H H 416 8.076 8.284 -0.208 1 1 1935 . 13 1 1 A 203 203 ALA HA H 416 4.228 4.774 -0.546 1 1 1939 . 13 1 1 A 203 203 ALA C C 416 176.895 177.244 -0.349 1 1 1940 . 13 1 1 A 203 203 ALA CA C 416 52.743 50.444 2.299 1 1 1941 . 13 1 1 A 203 203 ALA CB C 416 18.723 23.061 -4.338 1 1 1942 . 13 1 1 A 203 203 ALA N N 416 119.053 124.010 -4.957 1 1 1943 . 13 1 1 A 204 204 GLU H H 417 7.784 8.867 -1.083 1 1 1944 . 13 1 1 A 204 204 GLU HA H 417 4.350 4.023 0.327 1 1 1949 . 13 1 1 A 204 204 GLU C C 417 175.678 177.481 -1.803 1 1 1950 . 13 1 1 A 204 204 GLU CA C 417 55.650 57.850 -2.200 1 1 1951 . 13 1 1 A 204 204 GLU CB C 417 30.312 29.980 0.332 1 1 1953 . 13 1 1 A 204 204 GLU N N 417 116.458 118.984 -2.526 1 1 1954 . 13 1 1 A 205 205 GLY H H 418 7.910 7.682 0.228 1 1 1955 . 13 1 1 A 205 205 GLY CA C 418 43.804 44.717 -0.913 1 1 1956 . 13 1 1 A 205 205 GLY N N 418 108.024 106.124 1.900 1 1 1957 . 13 1 1 A 206 206 THR H H 419 8.364 7.788 0.576 1 1 1958 . 13 1 1 A 206 206 THR HA H 419 4.316 4.373 -0.057 1 1 1963 . 13 1 1 A 206 206 THR CA C 419 64.682 60.008 4.674 1 1 1964 . 13 1 1 A 206 206 THR CB C 419 69.304 70.380 -1.076 1 1 1966 . 13 1 1 A 206 206 THR N N 419 115.417 113.524 1.893 1 1 1967 . 13 1 1 A 207 207 TRP HA H 420 4.116 4.739 -0.623 1 1 1976 . 13 1 1 A 207 207 TRP CA C 420 61.178 56.919 4.259 1 1 1977 . 13 1 1 A 207 207 TRP CB C 420 28.670 30.683 -2.013 1 1 1984 . 13 1 1 A 209 209 ILE H H 422 6.744 8.849 -2.105 1 1 1985 . 13 1 1 A 209 209 ILE HA H 422 3.349 3.919 -0.570 1 1 1993 . 13 1 1 A 209 209 ILE C C 422 178.143 175.870 2.273 1 1 1994 . 13 1 1 A 209 209 ILE CA C 422 60.865 63.080 -2.215 1 1 1995 . 13 1 1 A 209 209 ILE CB C 422 34.371 36.219 -1.848 1 1 1999 . 13 1 1 A 209 209 ILE N N 422 113.211 117.870 -4.659 1 1 2000 . 13 1 1 A 210 210 GLN H H 423 8.252 8.041 0.211 1 1 2001 . 13 1 1 A 210 210 GLN HA H 423 3.548 4.124 -0.576 1 1 2006 . 13 1 1 A 210 210 GLN C C 423 179.079 177.914 1.165 1 1 2007 . 13 1 1 A 210 210 GLN CA C 423 58.795 58.543 0.252 1 1 2008 . 13 1 1 A 210 210 GLN CB C 423 26.704 28.832 -2.128 1 1 2010 . 13 1 1 A 210 210 GLN N N 423 116.455 121.038 -4.583 1 1 2011 . 13 1 1 A 211 211 SER H H 424 8.162 7.947 0.215 1 1 2012 . 13 1 1 A 211 211 SER HA H 424 3.961 4.251 -0.290 1 1 2015 . 13 1 1 A 211 211 SER C C 424 179.150 177.176 1.974 1 1 2016 . 13 1 1 A 211 211 SER CA C 424 61.850 61.147 0.703 1 1 2017 . 13 1 1 A 211 211 SER CB C 424 62.214 62.986 -0.772 1 1 2018 . 13 1 1 A 211 211 SER N N 424 115.041 114.001 1.040 1 1 2019 . 13 1 1 A 212 212 LEU H H 425 8.061 8.029 0.032 1 1 2020 . 13 1 1 A 212 212 LEU HA H 425 3.540 4.037 -0.497 1 1 2030 . 13 1 1 A 212 212 LEU C C 425 177.566 178.526 -0.960 1 1 2031 . 13 1 1 A 212 212 LEU CA C 425 58.548 57.759 0.789 1 1 2032 . 13 1 1 A 212 212 LEU CB C 425 41.665 41.444 0.221 1 1 2036 . 13 1 1 A 212 212 LEU N N 425 124.082 122.494 1.588 1 1 2037 . 13 1 1 A 213 213 CYS H H 426 7.940 8.251 -0.311 1 1 2038 . 13 1 1 A 213 213 CYS HA H 426 3.628 3.983 -0.355 1 1 2041 . 13 1 1 A 213 213 CYS C C 426 175.741 176.563 -0.822 1 1 2042 . 13 1 1 A 213 213 CYS CA C 426 65.159 62.562 2.597 1 1 2043 . 13 1 1 A 213 213 CYS CB C 426 49.251 26.519 22.732 1 1 2044 . 13 1 1 A 213 213 CYS N N 426 114.351 118.492 -4.141 1 1 2045 . 13 1 1 A 214 214 GLN H H 427 7.510 8.312 -0.802 1 1 2046 . 13 1 1 A 214 214 GLN HA H 427 3.772 4.112 -0.340 1 1 2051 . 13 1 1 A 214 214 GLN C C 427 177.769 178.133 -0.364 1 1 2052 . 13 1 1 A 214 214 GLN CA C 427 59.019 57.977 1.042 1 1 2053 . 13 1 1 A 214 214 GLN CB C 427 27.718 27.390 0.328 1 1 2055 . 13 1 1 A 214 214 GLN N N 427 117.399 119.138 -1.739 1 1 2056 . 13 1 1 A 215 215 SER H H 428 7.906 8.354 -0.448 1 1 2057 . 13 1 1 A 215 215 SER HA H 428 4.173 4.162 0.011 1 1 2060 . 13 1 1 A 215 215 SER CA C 428 62.653 62.698 -0.045 1 1 2061 . 13 1 1 A 215 215 SER CB C 428 62.889 63.285 -0.396 1 1 2062 . 13 1 1 A 215 215 SER N N 428 113.799 118.614 -4.815 1 1 2063 . 13 1 1 A 216 216 LEU H H 429 8.505 8.304 0.201 1 1 2064 . 13 1 1 A 216 216 LEU HA H 429 4.156 3.935 0.221 1 1 2071 . 13 1 1 A 216 216 LEU C C 429 178.848 178.310 0.538 1 1 2072 . 13 1 1 A 216 216 LEU CA C 429 58.053 58.409 -0.356 1 1 2073 . 13 1 1 A 216 216 LEU CB C 429 41.222 41.704 -0.482 1 1 2076 . 13 1 1 A 216 216 LEU N N 429 121.357 119.727 1.630 1 1 2077 . 13 1 1 A 217 217 ARG H H 430 7.972 8.339 -0.367 1 1 2078 . 13 1 1 A 217 217 ARG HA H 430 3.850 3.859 -0.009 1 1 2085 . 13 1 1 A 217 217 ARG C C 430 178.237 177.926 0.311 1 1 2086 . 13 1 1 A 217 217 ARG CA C 430 59.472 58.922 0.550 1 1 2087 . 13 1 1 A 217 217 ARG CB C 430 30.256 29.784 0.472 1 1 2090 . 13 1 1 A 217 217 ARG N N 430 116.018 120.952 -4.934 1 1 2091 . 13 1 1 A 218 218 GLU H H 431 7.583 7.948 -0.365 1 1 2092 . 13 1 1 A 218 218 GLU HA H 431 4.119 4.158 -0.039 1 1 2096 . 13 1 1 A 218 218 GLU C C 431 178.377 178.326 0.051 1 1 2097 . 13 1 1 A 218 218 GLU CA C 431 58.207 58.618 -0.411 1 1 2098 . 13 1 1 A 218 218 GLU CB C 431 30.548 29.474 1.074 1 1 2100 . 13 1 1 A 218 218 GLU N N 431 113.645 118.837 -5.192 1 1 2101 . 13 1 1 A 219 219 ARG H H 432 8.621 7.746 0.875 1 1 2102 . 13 1 1 A 219 219 ARG HA H 432 4.180 4.422 -0.242 1 1 2103 . 13 1 1 A 219 219 ARG C C 432 178.455 176.571 1.884 1 1 2104 . 13 1 1 A 219 219 ARG CA C 432 58.428 55.995 2.433 1 1 2105 . 13 1 1 A 219 219 ARG CB C 432 30.936 30.557 0.379 1 1 2107 . 13 1 1 A 219 219 ARG N N 432 114.272 117.475 -3.203 1 1 2108 . 13 1 1 A 220 220 CYS H H 433 8.828 7.930 0.898 1 1 2109 . 13 1 1 A 220 220 CYS HA H 433 4.464 4.213 0.251 1 1 2112 . 13 1 1 A 220 220 CYS C C 433 176.708 175.216 1.492 1 1 2113 . 13 1 1 A 220 220 CYS CA C 433 66.312 63.334 2.978 1 1 2114 . 13 1 1 A 220 220 CYS CB C 433 47.095 25.813 21.282 1 1 2115 . 13 1 1 A 220 220 CYS N N 433 120.012 118.642 1.370 1 1 2116 . 13 1 1 A 221 221 PRO HA H 434 4.463 4.645 -0.182 1 1 2123 . 13 1 1 A 221 221 PRO C C 434 177.064 177.106 -0.042 1 1 2124 . 13 1 1 A 221 221 PRO CA C 434 65.717 62.632 3.085 1 1 2125 . 13 1 1 A 221 221 PRO CB C 434 31.169 32.666 -1.497 1 1 2128 . 13 1 1 A 222 222 ARG H H 435 6.904 8.984 -2.080 1 1 2129 . 13 1 1 A 222 222 ARG HA H 435 4.331 3.977 0.354 1 1 2136 . 13 1 1 A 222 222 ARG C C 435 176.536 176.420 0.116 1 1 2137 . 13 1 1 A 222 222 ARG CA C 435 55.901 57.671 -1.770 1 1 2138 . 13 1 1 A 222 222 ARG CB C 435 30.116 28.306 1.810 1 1 2141 . 13 1 1 A 222 222 ARG N N 435 112.486 115.984 -3.498 1 1 2142 . 13 1 1 A 223 223 GLY H H 436 8.160 8.647 -0.487 1 1 2143 . 13 1 1 A 223 223 GLY HA2 H 436 4.237 3.874 0.363 1 1 2144 . 13 1 1 A 223 223 GLY HA3 H 436 3.643 3.899 -0.256 1 1 2145 . 13 1 1 A 223 223 GLY C C 436 173.338 174.106 -0.768 1 1 2146 . 13 1 1 A 223 223 GLY CA C 436 43.988 46.839 -2.851 1 1 2147 . 13 1 1 A 223 223 GLY N N 436 105.931 105.192 0.739 1 1 2148 . 13 1 1 A 224 224 ASP H H 437 6.891 7.936 -1.045 1 1 2149 . 13 1 1 A 224 224 ASP HA H 437 4.500 4.638 -0.138 1 1 2151 . 13 1 1 A 224 224 ASP C C 437 173.806 175.725 -1.919 1 1 2152 . 13 1 1 A 224 224 ASP CA C 437 54.576 54.753 -0.177 1 1 2153 . 13 1 1 A 224 224 ASP CB C 437 40.588 41.117 -0.529 1 1 2154 . 13 1 1 A 224 224 ASP N N 437 119.342 120.866 -1.524 1 1 2155 . 13 1 1 A 225 225 ASP H H 438 8.054 8.799 -0.745 1 1 2156 . 13 1 1 A 225 225 ASP HA H 438 4.912 4.760 0.152 1 1 2159 . 13 1 1 A 225 225 ASP C C 438 175.631 176.909 -1.278 1 1 2160 . 13 1 1 A 225 225 ASP CA C 438 52.579 54.757 -2.178 1 1 2161 . 13 1 1 A 225 225 ASP CB C 438 42.616 41.415 1.201 1 1 2162 . 13 1 1 A 225 225 ASP N N 438 117.877 125.889 -8.012 1 1 2163 . 13 1 1 A 226 226 ILE H H 439 9.101 8.706 0.395 1 1 2164 . 13 1 1 A 226 226 ILE HA H 439 3.621 3.879 -0.258 1 1 2174 . 13 1 1 A 226 226 ILE C C 439 176.146 177.795 -1.649 1 1 2175 . 13 1 1 A 226 226 ILE CA C 439 62.602 63.694 -1.092 1 1 2176 . 13 1 1 A 226 226 ILE CB C 439 36.530 37.866 -1.336 1 1 2180 . 13 1 1 A 226 226 ILE N N 439 118.352 123.198 -4.846 1 1 2181 . 13 1 1 A 227 227 LEU H H 440 7.814 7.287 0.527 1 1 2182 . 13 1 1 A 227 227 LEU HA H 440 3.918 3.918 0.000 1 1 2192 . 13 1 1 A 227 227 LEU C C 440 179.397 178.905 0.492 1 1 2193 . 13 1 1 A 227 227 LEU CA C 440 58.566 56.970 1.596 1 1 2194 . 13 1 1 A 227 227 LEU CB C 440 40.819 41.611 -0.792 1 1 2198 . 13 1 1 A 227 227 LEU N N 440 119.906 120.787 -0.881 1 1 2199 . 13 1 1 A 228 228 THR H H 441 7.665 7.815 -0.150 1 1 2200 . 13 1 1 A 228 228 THR HA H 441 4.289 4.423 -0.134 1 1 2205 . 13 1 1 A 228 228 THR C C 441 179.489 176.405 3.084 1 1 2206 . 13 1 1 A 228 228 THR CA C 441 61.837 64.618 -2.781 1 1 2207 . 13 1 1 A 228 228 THR CB C 441 69.979 69.156 0.823 1 1 2209 . 13 1 1 A 228 228 THR N N 441 120.011 114.083 5.928 1 1 2210 . 13 1 1 A 229 229 ILE H H 442 7.807 7.648 0.159 1 1 2211 . 13 1 1 A 229 229 ILE HA H 442 3.300 3.615 -0.315 1 1 2221 . 13 1 1 A 229 229 ILE C C 442 177.728 177.665 0.063 1 1 2222 . 13 1 1 A 229 229 ILE CA C 442 66.069 65.271 0.798 1 1 2223 . 13 1 1 A 229 229 ILE CB C 442 38.260 37.796 0.464 1 1 2227 . 13 1 1 A 229 229 ILE N N 442 119.411 121.111 -1.700 1 1 2228 . 13 1 1 A 230 230 LEU H H 443 8.530 7.493 1.037 1 1 2229 . 13 1 1 A 230 230 LEU HA H 443 3.958 4.208 -0.250 1 1 2239 . 13 1 1 A 230 230 LEU C C 443 178.689 178.128 0.561 1 1 2240 . 13 1 1 A 230 230 LEU CA C 443 57.697 56.813 0.884 1 1 2241 . 13 1 1 A 230 230 LEU CB C 443 42.191 41.694 0.497 1 1 2245 . 13 1 1 A 230 230 LEU N N 443 116.186 118.884 -2.698 1 1 2246 . 13 1 1 A 231 231 THR H H 444 8.008 7.862 0.146 1 1 2247 . 13 1 1 A 231 231 THR HA H 444 4.153 4.615 -0.462 1 1 2252 . 13 1 1 A 231 231 THR C C 444 175.208 175.110 0.098 1 1 2253 . 13 1 1 A 231 231 THR CA C 444 65.327 61.731 3.596 1 1 2254 . 13 1 1 A 231 231 THR CB C 444 69.718 69.355 0.363 1 1 2256 . 13 1 1 A 231 231 THR N N 444 112.075 107.402 4.673 1 1 2257 . 13 1 1 A 232 232 GLU H H 445 7.717 8.039 -0.322 1 1 2258 . 13 1 1 A 232 232 GLU HA H 445 4.186 4.450 -0.264 1 1 2259 . 13 1 1 A 232 232 GLU C C 445 177.156 176.842 0.314 1 1 2260 . 13 1 1 A 232 232 GLU CA C 445 57.891 56.517 1.374 1 1 2261 . 13 1 1 A 232 232 GLU CB C 445 28.836 30.256 -1.420 1 1 2263 . 13 1 1 A 232 232 GLU N N 445 120.074 121.409 -1.335 1 1 2294 . 13 1 1 A 252 252 GLN H H 465 8.586 8.401 0.185 1 1 2295 . 13 1 1 A 252 252 GLN HA H 465 4.689 4.885 -0.196 1 1 2296 . 13 1 1 A 252 252 GLN C C 465 174.446 173.025 1.421 1 1 2297 . 13 1 1 A 252 252 GLN CA C 465 53.682 53.350 0.332 1 1 2298 . 13 1 1 A 252 252 GLN CB C 465 28.537 29.688 -1.151 1 1 2300 . 13 1 1 A 252 252 GLN N N 465 121.782 120.539 1.243 1 1 2301 . 13 1 1 A 253 253 PRO HA H 466 4.902 3.958 0.944 1 1 2302 . 13 1 1 A 253 253 PRO C C 466 174.937 176.975 -2.038 1 1 2303 . 13 1 1 A 253 253 PRO CA C 466 63.075 62.221 0.854 1 1 2304 . 13 1 1 A 253 253 PRO CB C 466 32.384 31.662 0.722 1 1 2307 . 13 1 1 A 254 254 THR H H 467 8.556 7.930 0.626 1 1 2308 . 13 1 1 A 254 254 THR HA H 467 4.659 4.336 0.323 1 1 2313 . 13 1 1 A 254 254 THR C C 467 172.995 174.281 -1.286 1 1 2314 . 13 1 1 A 254 254 THR CA C 467 61.740 61.402 0.338 1 1 2315 . 13 1 1 A 254 254 THR CB C 467 70.195 68.155 2.040 1 1 2317 . 13 1 1 A 254 254 THR N N 467 115.754 113.584 2.170 1 1 2318 . 13 1 1 A 255 255 PHE H H 468 8.560 7.302 1.258 1 1 2319 . 13 1 1 A 255 255 PHE HA H 468 5.502 4.874 0.628 1 1 2322 . 13 1 1 A 255 255 PHE C C 468 173.198 175.516 -2.318 1 1 2323 . 13 1 1 A 255 255 PHE CA C 468 56.283 57.394 -1.111 1 1 2324 . 13 1 1 A 255 255 PHE CB C 468 43.426 39.440 3.986 1 1 2325 . 13 1 1 A 255 255 PHE N N 468 120.481 121.282 -0.801 1 1 2326 . 13 1 1 A 256 256 THR H H 469 9.702 8.929 0.773 1 1 2327 . 13 1 1 A 256 256 THR HA H 469 4.662 5.149 -0.487 1 1 2332 . 13 1 1 A 256 256 THR C C 469 176.561 173.446 3.115 1 1 2333 . 13 1 1 A 256 256 THR CA C 469 59.948 60.698 -0.750 1 1 2334 . 13 1 1 A 256 256 THR CB C 469 69.145 70.745 -1.600 1 1 2336 . 13 1 1 A 256 256 THR N N 469 108.601 114.992 -6.391 1 1 2337 . 13 1 1 A 257 257 LEU H H 470 7.235 8.888 -1.653 1 1 2338 . 13 1 1 A 257 257 LEU HA H 470 4.401 4.920 -0.519 1 1 2348 . 13 1 1 A 257 257 LEU C C 470 175.975 176.879 -0.904 1 1 2349 . 13 1 1 A 257 257 LEU CA C 470 55.492 53.659 1.833 1 1 2350 . 13 1 1 A 257 257 LEU CB C 470 41.850 45.051 -3.201 1 1 2354 . 13 1 1 A 257 257 LEU N N 470 120.802 127.469 -6.667 1 1 2355 . 13 1 1 A 258 258 ARG H H 471 8.228 8.551 -0.323 1 1 2356 . 13 1 1 A 258 258 ARG HA H 471 4.631 4.124 0.507 1 1 2363 . 13 1 1 A 258 258 ARG C C 471 174.114 176.156 -2.042 1 1 2364 . 13 1 1 A 258 258 ARG CA C 471 55.071 58.230 -3.159 1 1 2365 . 13 1 1 A 258 258 ARG CB C 471 32.470 30.666 1.804 1 1 2368 . 13 1 1 A 258 258 ARG N N 471 118.883 122.126 -3.243 1 1 2369 . 13 1 1 A 259 259 LYS H H 472 7.217 7.611 -0.394 1 1 2370 . 13 1 1 A 259 259 LYS HA H 472 4.260 4.709 -0.449 1 1 2379 . 13 1 1 A 259 259 LYS C C 472 174.571 174.891 -0.320 1 1 2380 . 13 1 1 A 259 259 LYS CA C 472 53.269 54.425 -1.156 1 1 2381 . 13 1 1 A 259 259 LYS CB C 472 36.332 35.598 0.734 1 1 2385 . 13 1 1 A 259 259 LYS N N 472 116.031 117.053 -1.022 1 1 2386 . 13 1 1 A 260 260 LYS H H 473 8.357 8.489 -0.132 1 1 2387 . 13 1 1 A 260 260 LYS HA H 473 4.297 4.598 -0.301 1 1 2396 . 13 1 1 A 260 260 LYS C C 473 174.137 175.142 -1.005 1 1 2397 . 13 1 1 A 260 260 LYS CA C 473 57.258 56.397 0.861 1 1 2398 . 13 1 1 A 260 260 LYS CB C 473 33.561 33.506 0.055 1 1 2402 . 13 1 1 A 260 260 LYS N N 473 119.377 121.573 -2.196 1 1 2403 . 13 1 1 A 261 261 LEU H H 474 9.288 8.718 0.570 1 1 2404 . 13 1 1 A 261 261 LEU HA H 474 5.048 5.262 -0.214 1 1 2414 . 13 1 1 A 261 261 LEU C C 474 172.558 174.841 -2.283 1 1 2415 . 13 1 1 A 261 261 LEU CA C 474 53.327 53.842 -0.515 1 1 2416 . 13 1 1 A 261 261 LEU CB C 474 44.313 45.544 -1.231 1 1 2420 . 13 1 1 A 261 261 LEU N N 474 126.482 126.041 0.441 1 1 2421 . 13 1 1 A 262 262 VAL H H 475 8.876 9.191 -0.315 1 1 2422 . 13 1 1 A 262 262 VAL HA H 475 4.238 4.846 -0.608 1 1 2430 . 13 1 1 A 262 262 VAL C C 475 174.243 174.865 -0.622 1 1 2431 . 13 1 1 A 262 262 VAL CA C 475 59.734 60.832 -1.098 1 1 2432 . 13 1 1 A 262 262 VAL CB C 475 34.790 36.097 -1.307 1 1 2435 . 13 1 1 A 262 262 VAL N N 475 124.316 126.489 -2.173 1 1 2436 . 13 1 1 A 263 263 PHE H H 476 8.826 8.703 0.123 1 1 2437 . 13 1 1 A 263 263 PHE HA H 476 5.518 5.288 0.230 1 1 2443 . 13 1 1 A 263 263 PHE C C 476 171.887 173.661 -1.774 1 1 2444 . 13 1 1 A 263 263 PHE CA C 476 52.082 54.884 -2.802 1 1 2445 . 13 1 1 A 263 263 PHE CB C 476 39.792 39.403 0.389 1 1 2449 . 13 1 1 A 263 263 PHE N N 476 122.867 125.810 -2.943 1 1 2450 . 13 1 1 A 264 264 PRO HA H 477 4.649 4.682 -0.033 1 1 2457 . 13 1 1 A 264 264 PRO C C 477 178.322 177.420 0.902 1 1 2458 . 13 1 1 A 264 264 PRO CA C 477 62.333 62.859 -0.526 1 1 2459 . 13 1 1 A 264 264 PRO CB C 477 32.553 32.970 -0.417 1 1 2462 . 13 1 1 A 265 265 SER H H 478 8.763 8.683 0.080 1 1 2463 . 13 1 1 A 265 265 SER HA H 478 4.494 4.286 0.208 1 1 2466 . 13 1 1 A 265 265 SER C C 478 173.725 174.792 -1.067 1 1 2467 . 13 1 1 A 265 265 SER CA C 478 59.060 60.607 -1.547 1 1 2468 . 13 1 1 A 265 265 SER CB C 478 64.038 63.098 0.940 1 1 2469 . 13 1 1 A 265 265 SER N N 478 116.725 114.503 2.222 1 1 17 . 14 1 1 A 12 12 VAL H H 225 7.819 8.293 -0.474 1 1 18 . 14 1 1 A 12 12 VAL HA H 225 4.946 3.860 1.086 1 1 26 . 14 1 1 A 12 12 VAL C C 225 175.898 176.155 -0.257 1 1 27 . 14 1 1 A 12 12 VAL CA C 225 59.650 62.578 -2.928 1 1 28 . 14 1 1 A 12 12 VAL CB C 225 35.296 31.737 3.559 1 1 31 . 14 1 1 A 12 12 VAL N N 225 117.637 122.746 -5.109 1 1 32 . 14 1 1 A 13 13 TYR H H 226 8.318 9.023 -0.705 1 1 33 . 14 1 1 A 13 13 TYR HA H 226 4.291 4.287 0.004 1 1 36 . 14 1 1 A 13 13 TYR C C 226 176.911 175.758 1.153 1 1 37 . 14 1 1 A 13 13 TYR CA C 226 60.063 59.035 1.028 1 1 38 . 14 1 1 A 13 13 TYR CB C 226 37.843 36.324 1.519 1 1 39 . 14 1 1 A 13 13 TYR N N 226 122.976 128.173 -5.197 1 1 40 . 14 1 1 A 14 14 GLN H H 227 9.128 7.236 1.892 1 1 41 . 14 1 1 A 14 14 GLN HA H 227 3.996 4.015 -0.019 1 1 46 . 14 1 1 A 14 14 GLN C C 227 175.052 177.288 -2.236 1 1 47 . 14 1 1 A 14 14 GLN CA C 227 57.421 57.553 -0.132 1 1 48 . 14 1 1 A 14 14 GLN CB C 227 29.550 28.396 1.154 1 1 50 . 14 1 1 A 14 14 GLN N N 227 124.676 120.099 4.577 1 1 51 . 14 1 1 A 15 15 MET H H 228 8.465 7.956 0.509 1 1 52 . 14 1 1 A 15 15 MET HA H 228 5.210 4.327 0.883 1 1 60 . 14 1 1 A 15 15 MET C C 228 172.979 176.402 -3.423 1 1 61 . 14 1 1 A 15 15 MET CA C 228 52.955 55.110 -2.155 1 1 62 . 14 1 1 A 15 15 MET CB C 228 30.751 30.991 -0.240 1 1 65 . 14 1 1 A 15 15 MET N N 228 128.835 119.965 8.870 1 1 66 . 14 1 1 A 16 16 LYS H H 229 9.119 8.113 1.006 1 1 67 . 14 1 1 A 16 16 LYS HA H 229 4.558 4.676 -0.118 1 1 76 . 14 1 1 A 16 16 LYS C C 229 176.209 178.030 -1.821 1 1 77 . 14 1 1 A 16 16 LYS CA C 229 55.916 56.835 -0.919 1 1 78 . 14 1 1 A 16 16 LYS CB C 229 35.555 34.070 1.485 1 1 82 . 14 1 1 A 16 16 LYS N N 229 120.235 119.931 0.304 1 1 83 . 14 1 1 A 17 17 SER H H 230 9.101 7.862 1.239 1 1 84 . 14 1 1 A 17 17 SER HA H 230 4.077 4.196 -0.119 1 1 87 . 14 1 1 A 17 17 SER C C 230 172.995 174.660 -1.665 1 1 88 . 14 1 1 A 17 17 SER CA C 230 59.615 61.173 -1.558 1 1 89 . 14 1 1 A 17 17 SER CB C 230 64.482 62.535 1.947 1 1 90 . 14 1 1 A 17 17 SER N N 230 121.500 113.828 7.672 1 1 91 . 14 1 1 A 18 18 LYS H H 231 8.120 7.861 0.259 1 1 92 . 14 1 1 A 18 18 LYS HA H 231 4.373 4.635 -0.262 1 1 101 . 14 1 1 A 18 18 LYS C C 231 173.565 174.377 -0.812 1 1 102 . 14 1 1 A 18 18 LYS CA C 231 53.231 53.159 0.072 1 1 103 . 14 1 1 A 18 18 LYS CB C 231 34.596 33.083 1.513 1 1 107 . 14 1 1 A 18 18 LYS N N 231 120.561 119.811 0.750 1 1 108 . 14 1 1 A 19 19 PRO HA H 232 4.898 4.312 0.586 1 1 115 . 14 1 1 A 19 19 PRO C C 232 176.162 177.251 -1.089 1 1 116 . 14 1 1 A 19 19 PRO CA C 232 62.838 64.677 -1.839 1 1 117 . 14 1 1 A 19 19 PRO CB C 232 34.997 32.251 2.746 1 1 120 . 14 1 1 A 20 20 ARG H H 233 8.782 8.444 0.338 1 1 121 . 14 1 1 A 20 20 ARG HA H 233 3.651 4.581 -0.930 1 1 122 . 14 1 1 A 20 20 ARG C C 233 175.210 175.243 -0.033 1 1 123 . 14 1 1 A 20 20 ARG CA C 233 56.621 55.307 1.314 1 1 124 . 14 1 1 A 20 20 ARG CB C 233 30.581 28.607 1.974 1 1 127 . 14 1 1 A 20 20 ARG N N 233 118.785 117.622 1.163 1 1 128 . 14 1 1 A 21 21 GLY H H 234 6.490 8.347 -1.857 1 1 129 . 14 1 1 A 21 21 GLY HA2 H 234 4.312 3.581 0.731 1 1 130 . 14 1 1 A 21 21 GLY HA3 H 234 4.662 3.742 0.920 1 1 131 . 14 1 1 A 21 21 GLY C C 234 172.012 172.189 -0.177 1 1 132 . 14 1 1 A 21 21 GLY CA C 234 43.743 44.425 -0.682 1 1 133 . 14 1 1 A 21 21 GLY N N 234 128.529 108.381 20.148 1 1 134 . 14 1 1 A 22 22 TYR H H 235 9.327 8.302 1.025 1 1 135 . 14 1 1 A 22 22 TYR HA H 235 5.260 5.073 0.187 1 1 140 . 14 1 1 A 22 22 TYR C C 235 173.931 175.777 -1.846 1 1 141 . 14 1 1 A 22 22 TYR CA C 235 58.287 56.629 1.658 1 1 142 . 14 1 1 A 22 22 TYR CB C 235 39.762 39.713 0.049 1 1 145 . 14 1 1 A 22 22 TYR N N 235 119.429 119.299 0.130 1 1 146 . 14 1 1 A 23 23 CYS H H 236 8.665 8.310 0.355 1 1 147 . 14 1 1 A 23 23 CYS HA H 236 4.928 4.575 0.353 1 1 148 . 14 1 1 A 23 23 CYS C C 236 172.970 174.577 -1.607 1 1 149 . 14 1 1 A 23 23 CYS CA C 236 55.636 58.426 -2.790 1 1 150 . 14 1 1 A 23 23 CYS CB C 236 50.040 29.467 20.573 1 1 151 . 14 1 1 A 23 23 CYS N N 236 120.485 123.065 -2.580 1 1 152 . 14 1 1 A 24 24 LEU H H 237 8.619 8.748 -0.129 1 1 153 . 14 1 1 A 24 24 LEU HA H 237 4.691 5.030 -0.339 1 1 163 . 14 1 1 A 24 24 LEU C C 237 175.850 175.797 0.053 1 1 164 . 14 1 1 A 24 24 LEU CA C 237 54.053 53.773 0.280 1 1 165 . 14 1 1 A 24 24 LEU CB C 237 44.117 43.659 0.458 1 1 169 . 14 1 1 A 24 24 LEU N N 237 129.465 120.947 8.518 1 1 170 . 14 1 1 A 25 25 ILE H H 238 8.304 9.113 -0.809 1 1 171 . 14 1 1 A 25 25 ILE HA H 238 4.639 5.065 -0.426 1 1 179 . 14 1 1 A 25 25 ILE C C 238 174.032 174.711 -0.679 1 1 180 . 14 1 1 A 25 25 ILE CA C 238 60.879 60.255 0.624 1 1 181 . 14 1 1 A 25 25 ILE CB C 238 41.165 42.052 -0.887 1 1 185 . 14 1 1 A 25 25 ILE N N 238 122.597 124.413 -1.816 1 1 186 . 14 1 1 A 26 26 ILE H H 239 9.025 8.586 0.439 1 1 187 . 14 1 1 A 26 26 ILE HA H 239 4.778 4.973 -0.195 1 1 197 . 14 1 1 A 26 26 ILE C C 239 173.104 174.967 -1.863 1 1 198 . 14 1 1 A 26 26 ILE CA C 239 60.733 60.004 0.729 1 1 199 . 14 1 1 A 26 26 ILE CB C 239 38.237 40.082 -1.845 1 1 203 . 14 1 1 A 26 26 ILE N N 239 129.303 127.374 1.929 1 1 204 . 14 1 1 A 27 27 ASN H H 240 8.957 9.526 -0.569 1 1 205 . 14 1 1 A 27 27 ASN HA H 240 5.174 5.509 -0.335 1 1 208 . 14 1 1 A 27 27 ASN C C 240 172.948 173.715 -0.767 1 1 209 . 14 1 1 A 27 27 ASN CA C 240 52.055 51.331 0.724 1 1 210 . 14 1 1 A 27 27 ASN CB C 240 40.530 41.618 -1.088 1 1 211 . 14 1 1 A 27 27 ASN N N 240 125.494 126.309 -0.815 1 1 212 . 14 1 1 A 28 28 ASN H H 241 9.118 8.993 0.125 1 1 213 . 14 1 1 A 28 28 ASN HA H 241 5.106 5.401 -0.295 1 1 216 . 14 1 1 A 28 28 ASN C C 241 172.184 175.160 -2.976 1 1 217 . 14 1 1 A 28 28 ASN CA C 241 52.599 51.367 1.232 1 1 218 . 14 1 1 A 28 28 ASN CB C 241 38.296 42.693 -4.397 1 1 219 . 14 1 1 A 28 28 ASN N N 241 125.089 118.521 6.568 1 1 220 . 14 1 1 A 29 29 HIS H H 242 9.512 8.804 0.708 1 1 221 . 14 1 1 A 29 29 HIS HA H 242 4.384 4.727 -0.343 1 1 224 . 14 1 1 A 29 29 HIS C C 242 173.519 174.610 -1.091 1 1 225 . 14 1 1 A 29 29 HIS CA C 242 59.174 55.687 3.487 1 1 226 . 14 1 1 A 29 29 HIS CB C 242 28.022 30.936 -2.914 1 1 227 . 14 1 1 A 29 29 HIS N N 242 125.634 115.769 9.865 1 1 228 . 14 1 1 A 30 30 ASN H H 243 8.623 7.518 1.105 1 1 229 . 14 1 1 A 30 30 ASN HA H 243 4.148 4.753 -0.605 1 1 234 . 14 1 1 A 30 30 ASN C C 243 175.052 174.228 0.824 1 1 235 . 14 1 1 A 30 30 ASN CA C 243 53.229 52.247 0.982 1 1 236 . 14 1 1 A 30 30 ASN CB C 243 38.980 41.439 -2.459 1 1 237 . 14 1 1 A 30 30 ASN N N 243 119.059 116.364 2.695 1 1 239 . 14 1 1 A 31 31 PHE H H 244 8.676 8.767 -0.091 1 1 240 . 14 1 1 A 31 31 PHE HA H 244 4.686 4.343 0.343 1 1 243 . 14 1 1 A 31 31 PHE C C 244 174.399 177.421 -3.022 1 1 244 . 14 1 1 A 31 31 PHE CA C 244 57.688 58.541 -0.853 1 1 245 . 14 1 1 A 31 31 PHE CB C 244 39.026 37.731 1.295 1 1 246 . 14 1 1 A 31 31 PHE N N 244 124.091 120.757 3.334 1 1 247 . 14 1 1 A 32 32 ALA H H 245 8.244 7.609 0.635 1 1 248 . 14 1 1 A 32 32 ALA HA H 245 3.869 3.705 0.164 1 1 252 . 14 1 1 A 32 32 ALA C C 245 180.452 179.894 0.558 1 1 253 . 14 1 1 A 32 32 ALA CA C 245 56.274 55.182 1.092 1 1 254 . 14 1 1 A 32 32 ALA CB C 245 18.181 18.189 -0.008 1 1 255 . 14 1 1 A 32 32 ALA N N 245 122.713 124.058 -1.345 1 1 256 . 14 1 1 A 33 33 LYS H H 246 8.964 7.852 1.112 1 1 257 . 14 1 1 A 33 33 LYS HA H 246 4.089 4.161 -0.072 1 1 266 . 14 1 1 A 33 33 LYS C C 246 177.441 177.624 -0.183 1 1 267 . 14 1 1 A 33 33 LYS CA C 246 58.632 57.441 1.191 1 1 268 . 14 1 1 A 33 33 LYS CB C 246 30.418 32.551 -2.133 1 1 272 . 14 1 1 A 33 33 LYS N N 246 116.888 118.519 -1.631 1 1 273 . 14 1 1 A 34 34 ALA H H 247 7.088 7.950 -0.862 1 1 274 . 14 1 1 A 34 34 ALA HA H 247 3.752 4.489 -0.737 1 1 278 . 14 1 1 A 34 34 ALA C C 247 177.581 177.256 0.325 1 1 279 . 14 1 1 A 34 34 ALA CA C 247 55.502 52.769 2.733 1 1 280 . 14 1 1 A 34 34 ALA CB C 247 18.099 20.824 -2.725 1 1 281 . 14 1 1 A 34 34 ALA N N 247 122.047 122.293 -0.246 1 1 282 . 14 1 1 A 35 35 ARG H H 248 7.706 8.401 -0.695 1 1 283 . 14 1 1 A 35 35 ARG HA H 248 4.338 4.139 0.199 1 1 292 . 14 1 1 A 35 35 ARG C C 248 179.094 175.186 3.908 1 1 293 . 14 1 1 A 35 35 ARG CA C 248 56.283 57.187 -0.904 1 1 294 . 14 1 1 A 35 35 ARG CB C 248 30.668 29.215 1.453 1 1 297 . 14 1 1 A 35 35 ARG N N 248 112.008 117.487 -5.479 1 1 299 . 14 1 1 A 36 36 GLU H H 249 7.707 8.466 -0.759 1 1 300 . 14 1 1 A 36 36 GLU HA H 249 4.121 4.246 -0.125 1 1 305 . 14 1 1 A 36 36 GLU C C 249 178.205 177.446 0.759 1 1 306 . 14 1 1 A 36 36 GLU CA C 249 58.194 57.970 0.224 1 1 307 . 14 1 1 A 36 36 GLU CB C 249 30.596 29.509 1.087 1 1 309 . 14 1 1 A 36 36 GLU N N 249 116.945 117.270 -0.325 1 1 310 . 14 1 1 A 37 37 LYS H H 250 7.954 7.984 -0.030 1 1 311 . 14 1 1 A 37 37 LYS HA H 250 4.381 4.101 0.280 1 1 320 . 14 1 1 A 37 37 LYS C C 250 176.772 176.393 0.379 1 1 321 . 14 1 1 A 37 37 LYS CA C 250 57.323 58.700 -1.377 1 1 322 . 14 1 1 A 37 37 LYS CB C 250 34.892 32.501 2.391 1 1 326 . 14 1 1 A 37 37 LYS N N 250 114.798 118.386 -3.588 1 1 327 . 14 1 1 A 38 38 VAL H H 251 8.298 7.704 0.594 1 1 328 . 14 1 1 A 38 38 VAL HA H 251 4.582 4.624 -0.042 1 1 336 . 14 1 1 A 38 38 VAL C C 251 174.903 174.445 0.458 1 1 337 . 14 1 1 A 38 38 VAL CA C 251 60.316 58.966 1.350 1 1 338 . 14 1 1 A 38 38 VAL CB C 251 32.374 31.998 0.376 1 1 341 . 14 1 1 A 38 38 VAL N N 251 120.907 119.063 1.844 1 1 342 . 14 1 1 A 40 40 LYS H H 253 8.588 8.894 -0.306 1 1 343 . 14 1 1 A 40 40 LYS HA H 253 4.275 4.342 -0.067 1 1 352 . 14 1 1 A 40 40 LYS C C 253 176.447 177.242 -0.795 1 1 353 . 14 1 1 A 40 40 LYS CA C 253 58.550 58.376 0.174 1 1 354 . 14 1 1 A 40 40 LYS CB C 253 31.568 31.458 0.110 1 1 358 . 14 1 1 A 40 40 LYS N N 253 113.861 116.243 -2.382 1 1 359 . 14 1 1 A 41 41 LEU H H 254 7.948 7.620 0.328 1 1 360 . 14 1 1 A 41 41 LEU HA H 254 4.391 4.275 0.116 1 1 370 . 14 1 1 A 41 41 LEU C C 254 175.989 178.120 -2.131 1 1 371 . 14 1 1 A 41 41 LEU CA C 254 53.279 55.549 -2.270 1 1 372 . 14 1 1 A 41 41 LEU CB C 254 40.369 41.650 -1.281 1 1 376 . 14 1 1 A 41 41 LEU N N 254 118.998 119.964 -0.966 1 1 377 . 14 1 1 A 42 42 HIS H H 255 7.167 8.160 -0.993 1 1 378 . 14 1 1 A 42 42 HIS HA H 255 4.376 4.529 -0.153 1 1 382 . 14 1 1 A 42 42 HIS C C 255 174.836 175.810 -0.974 1 1 383 . 14 1 1 A 42 42 HIS CA C 255 59.188 58.025 1.163 1 1 384 . 14 1 1 A 42 42 HIS CB C 255 30.311 29.280 1.031 1 1 386 . 14 1 1 A 42 42 HIS N N 255 116.251 117.982 -1.731 1 1 387 . 14 1 1 A 43 43 SER H H 256 7.735 7.855 -0.120 1 1 388 . 14 1 1 A 43 43 SER HA H 256 4.490 4.439 0.051 1 1 391 . 14 1 1 A 43 43 SER C C 256 174.045 174.540 -0.495 1 1 392 . 14 1 1 A 43 43 SER CA C 256 56.420 58.233 -1.813 1 1 393 . 14 1 1 A 43 43 SER CB C 256 64.093 63.930 0.163 1 1 394 . 14 1 1 A 43 43 SER N N 256 110.725 111.872 -1.147 1 1 395 . 14 1 1 A 44 44 ILE H H 257 7.403 7.004 0.399 1 1 396 . 14 1 1 A 44 44 ILE HA H 257 3.806 4.369 -0.563 1 1 406 . 14 1 1 A 44 44 ILE C C 257 174.321 175.242 -0.921 1 1 407 . 14 1 1 A 44 44 ILE CA C 257 61.640 59.859 1.781 1 1 408 . 14 1 1 A 44 44 ILE CB C 257 38.324 39.157 -0.833 1 1 412 . 14 1 1 A 44 44 ILE N N 257 124.717 118.705 6.012 1 1 413 . 14 1 1 A 45 45 ARG H H 258 8.043 8.518 -0.475 1 1 414 . 14 1 1 A 45 45 ARG HA H 258 4.201 4.759 -0.558 1 1 421 . 14 1 1 A 45 45 ARG C C 258 177.535 176.826 0.709 1 1 422 . 14 1 1 A 45 45 ARG CA C 258 55.412 53.715 1.697 1 1 423 . 14 1 1 A 45 45 ARG CB C 258 31.546 33.178 -1.632 1 1 426 . 14 1 1 A 45 45 ARG N N 258 124.319 121.197 3.122 1 1 427 . 14 1 1 A 46 46 ASP H H 259 8.584 8.938 -0.354 1 1 428 . 14 1 1 A 46 46 ASP HA H 259 5.096 4.445 0.651 1 1 431 . 14 1 1 A 46 46 ASP C C 259 177.819 176.084 1.735 1 1 432 . 14 1 1 A 46 46 ASP CA C 259 55.248 56.183 -0.935 1 1 433 . 14 1 1 A 46 46 ASP CB C 259 39.614 40.035 -0.421 1 1 434 . 14 1 1 A 46 46 ASP N N 259 120.371 121.162 -0.791 1 1 435 . 14 1 1 A 47 47 ARG H H 260 8.632 7.401 1.231 1 1 442 . 14 1 1 A 47 47 ARG CA C 260 56.228 56.325 -0.097 1 1 443 . 14 1 1 A 47 47 ARG CB C 260 26.981 30.969 -3.988 1 1 445 . 14 1 1 A 47 47 ARG N N 260 123.120 120.009 3.111 1 1 447 . 14 1 1 A 51 51 HIS HA H 264 4.293 4.740 -0.447 1 1 451 . 14 1 1 A 51 51 HIS C C 264 178.002 177.049 0.953 1 1 452 . 14 1 1 A 51 51 HIS CA C 264 60.062 55.981 4.081 1 1 453 . 14 1 1 A 51 51 HIS CB C 264 29.109 30.593 -1.484 1 1 455 . 14 1 1 A 52 52 LEU H H 265 7.474 8.015 -0.541 1 1 456 . 14 1 1 A 52 52 LEU HA H 265 4.125 4.102 0.023 1 1 466 . 14 1 1 A 52 52 LEU C C 265 180.623 178.102 2.521 1 1 467 . 14 1 1 A 52 52 LEU CA C 265 56.921 57.972 -1.051 1 1 468 . 14 1 1 A 52 52 LEU CB C 265 40.572 42.292 -1.720 1 1 472 . 14 1 1 A 52 52 LEU N N 265 122.692 122.730 -0.038 1 1 473 . 14 1 1 A 53 53 ASP H H 266 6.993 8.297 -1.304 1 1 474 . 14 1 1 A 53 53 ASP C C 266 176.536 177.513 -0.977 1 1 475 . 14 1 1 A 53 53 ASP CA C 266 56.718 55.275 1.443 1 1 476 . 14 1 1 A 53 53 ASP CB C 266 39.787 41.439 -1.652 1 1 477 . 14 1 1 A 53 53 ASP N N 266 122.192 116.980 5.212 1 1 478 . 14 1 1 A 54 54 ALA H H 267 8.217 7.702 0.515 1 1 479 . 14 1 1 A 54 54 ALA HA H 267 3.840 4.468 -0.628 1 1 483 . 14 1 1 A 54 54 ALA C C 267 180.507 179.575 0.932 1 1 484 . 14 1 1 A 54 54 ALA CA C 267 55.836 53.969 1.867 1 1 485 . 14 1 1 A 54 54 ALA CB C 267 17.386 19.934 -2.548 1 1 486 . 14 1 1 A 54 54 ALA N N 267 121.612 121.217 0.395 1 1 487 . 14 1 1 A 55 55 GLY H H 268 8.481 8.437 0.044 1 1 488 . 14 1 1 A 55 55 GLY C C 268 174.929 176.383 -1.454 1 1 489 . 14 1 1 A 55 55 GLY CA C 268 46.546 47.023 -0.477 1 1 490 . 14 1 1 A 55 55 GLY N N 268 107.453 106.808 0.645 1 1 491 . 14 1 1 A 56 56 ALA H H 269 7.759 8.061 -0.302 1 1 492 . 14 1 1 A 56 56 ALA HA H 269 4.190 4.004 0.186 1 1 496 . 14 1 1 A 56 56 ALA C C 269 180.493 180.129 0.364 1 1 497 . 14 1 1 A 56 56 ALA CA C 269 55.311 54.492 0.819 1 1 498 . 14 1 1 A 56 56 ALA CB C 269 17.951 18.378 -0.427 1 1 499 . 14 1 1 A 56 56 ALA N N 269 125.518 124.603 0.915 1 1 500 . 14 1 1 A 57 57 LEU H H 270 8.224 7.676 0.548 1 1 501 . 14 1 1 A 57 57 LEU HA H 270 3.840 4.150 -0.310 1 1 506 . 14 1 1 A 57 57 LEU C C 270 177.499 179.372 -1.873 1 1 507 . 14 1 1 A 57 57 LEU CA C 270 58.315 57.392 0.923 1 1 508 . 14 1 1 A 57 57 LEU CB C 270 43.182 41.579 1.603 1 1 511 . 14 1 1 A 57 57 LEU N N 270 121.610 120.358 1.252 1 1 512 . 14 1 1 A 58 58 THR H H 271 7.976 7.904 0.072 1 1 513 . 14 1 1 A 58 58 THR HA H 271 4.432 4.049 0.383 1 1 518 . 14 1 1 A 58 58 THR C C 271 174.457 176.155 -1.698 1 1 519 . 14 1 1 A 58 58 THR CA C 271 68.788 66.822 1.966 1 1 520 . 14 1 1 A 58 58 THR CB C 271 67.557 68.821 -1.264 1 1 522 . 14 1 1 A 58 58 THR N N 271 115.528 115.999 -0.471 1 1 523 . 14 1 1 A 59 59 THR H H 272 8.085 8.719 -0.634 1 1 524 . 14 1 1 A 59 59 THR HA H 272 3.911 3.971 -0.060 1 1 529 . 14 1 1 A 59 59 THR C C 272 176.131 176.812 -0.681 1 1 530 . 14 1 1 A 59 59 THR CA C 272 65.908 65.418 0.490 1 1 531 . 14 1 1 A 59 59 THR CB C 272 69.045 68.830 0.215 1 1 533 . 14 1 1 A 59 59 THR N N 272 114.864 114.366 0.498 1 1 534 . 14 1 1 A 60 60 THR H H 273 7.875 8.051 -0.176 1 1 535 . 14 1 1 A 60 60 THR HA H 273 3.423 3.662 -0.239 1 1 540 . 14 1 1 A 60 60 THR C C 273 175.166 175.514 -0.348 1 1 541 . 14 1 1 A 60 60 THR CA C 273 67.291 66.300 0.991 1 1 542 . 14 1 1 A 60 60 THR CB C 273 68.824 68.364 0.460 1 1 544 . 14 1 1 A 60 60 THR N N 273 116.718 117.140 -0.422 1 1 545 . 14 1 1 A 61 61 PHE H H 274 8.219 7.708 0.511 1 1 546 . 14 1 1 A 61 61 PHE HA H 274 4.213 4.367 -0.154 1 1 552 . 14 1 1 A 61 61 PHE C C 274 178.034 177.964 0.070 1 1 553 . 14 1 1 A 61 61 PHE CA C 274 63.308 60.922 2.386 1 1 554 . 14 1 1 A 61 61 PHE CB C 274 37.080 40.255 -3.175 1 1 558 . 14 1 1 A 61 61 PHE N N 274 114.721 117.052 -2.331 1 1 559 . 14 1 1 A 62 62 GLU H H 275 8.810 8.591 0.219 1 1 560 . 14 1 1 A 62 62 GLU HA H 275 4.416 4.033 0.383 1 1 565 . 14 1 1 A 62 62 GLU C C 275 181.232 179.355 1.877 1 1 566 . 14 1 1 A 62 62 GLU CA C 275 60.190 59.595 0.595 1 1 567 . 14 1 1 A 62 62 GLU CB C 275 28.990 29.340 -0.350 1 1 569 . 14 1 1 A 62 62 GLU N N 275 123.787 121.995 1.792 1 1 570 . 14 1 1 A 63 63 GLU H H 276 7.698 8.719 -1.021 1 1 571 . 14 1 1 A 63 63 GLU HA H 276 3.871 3.997 -0.126 1 1 575 . 14 1 1 A 63 63 GLU C C 276 176.721 177.095 -0.374 1 1 576 . 14 1 1 A 63 63 GLU CA C 276 58.821 58.425 0.396 1 1 577 . 14 1 1 A 63 63 GLU CB C 276 29.251 28.004 1.247 1 1 579 . 14 1 1 A 63 63 GLU N N 276 120.707 117.847 2.860 1 1 580 . 14 1 1 A 64 64 LEU H H 277 6.708 7.389 -0.681 1 1 581 . 14 1 1 A 64 64 LEU HA H 277 4.148 3.729 0.419 1 1 589 . 14 1 1 A 64 64 LEU C C 277 174.571 175.389 -0.818 1 1 590 . 14 1 1 A 64 64 LEU CA C 277 54.060 54.321 -0.261 1 1 594 . 14 1 1 A 64 64 LEU N N 277 115.451 119.090 -3.639 1 1 595 . 14 1 1 A 65 65 HIS H H 278 7.388 7.569 -0.181 1 1 596 . 14 1 1 A 65 65 HIS HA H 278 4.259 4.087 0.172 1 1 599 . 14 1 1 A 65 65 HIS C C 278 174.571 174.496 0.075 1 1 600 . 14 1 1 A 65 65 HIS CA C 278 57.737 57.245 0.492 1 1 601 . 14 1 1 A 65 65 HIS CB C 278 26.020 26.695 -0.675 1 1 602 . 14 1 1 A 65 65 HIS N N 278 107.287 115.082 -7.795 1 1 603 . 14 1 1 A 66 66 PHE H H 279 8.554 7.314 1.240 1 1 604 . 14 1 1 A 66 66 PHE HA H 279 4.462 4.869 -0.407 1 1 610 . 14 1 1 A 66 66 PHE C C 279 174.258 175.298 -1.040 1 1 611 . 14 1 1 A 66 66 PHE CA C 279 58.032 58.069 -0.037 1 1 612 . 14 1 1 A 66 66 PHE CB C 279 39.809 40.457 -0.648 1 1 616 . 14 1 1 A 66 66 PHE N N 279 117.992 118.628 -0.636 1 1 617 . 14 1 1 A 67 67 GLU H H 280 8.403 8.658 -0.255 1 1 618 . 14 1 1 A 67 67 GLU HA H 280 4.631 5.296 -0.665 1 1 621 . 14 1 1 A 67 67 GLU C C 280 174.640 175.227 -0.587 1 1 622 . 14 1 1 A 67 67 GLU CA C 280 55.467 55.418 0.049 1 1 623 . 14 1 1 A 67 67 GLU CB C 280 30.671 32.813 -2.142 1 1 625 . 14 1 1 A 67 67 GLU N N 280 120.980 120.374 0.606 1 1 626 . 14 1 1 A 68 68 ILE H H 281 8.988 9.127 -0.139 1 1 627 . 14 1 1 A 68 68 ILE HA H 281 4.491 4.802 -0.311 1 1 636 . 14 1 1 A 68 68 ILE C C 281 176.177 174.794 1.383 1 1 637 . 14 1 1 A 68 68 ILE CA C 281 59.688 60.246 -0.558 1 1 638 . 14 1 1 A 68 68 ILE CB C 281 35.090 40.006 -4.916 1 1 642 . 14 1 1 A 68 68 ILE N N 281 127.994 126.563 1.431 1 1 643 . 14 1 1 A 69 69 LYS H H 282 8.559 8.715 -0.156 1 1 644 . 14 1 1 A 69 69 LYS HA H 282 4.981 4.940 0.041 1 1 645 . 14 1 1 A 69 69 LYS CA C 282 50.465 53.419 -2.954 1 1 646 . 14 1 1 A 69 69 LYS CB C 282 32.762 33.197 -0.435 1 1 649 . 14 1 1 A 69 69 LYS N N 282 126.350 127.560 -1.210 1 1 650 . 14 1 1 A 70 70 PRO HA H 283 5.133 4.794 0.339 1 1 651 . 14 1 1 A 70 70 PRO C C 283 176.378 176.969 -0.591 1 1 652 . 14 1 1 A 70 70 PRO CA C 283 62.027 62.902 -0.875 1 1 653 . 14 1 1 A 70 70 PRO CB C 283 32.856 31.855 1.001 1 1 655 . 14 1 1 A 71 71 HIS H H 284 8.967 8.635 0.332 1 1 656 . 14 1 1 A 71 71 HIS HA H 284 4.465 4.738 -0.273 1 1 660 . 14 1 1 A 71 71 HIS C C 284 172.714 175.169 -2.455 1 1 661 . 14 1 1 A 71 71 HIS CA C 284 55.994 56.281 -0.287 1 1 662 . 14 1 1 A 71 71 HIS CB C 284 33.678 30.355 3.323 1 1 664 . 14 1 1 A 71 71 HIS N N 284 121.708 122.065 -0.357 1 1 665 . 14 1 1 A 72 72 ASP H H 285 8.625 8.690 -0.065 1 1 666 . 14 1 1 A 72 72 ASP HA H 285 5.695 4.649 1.046 1 1 669 . 14 1 1 A 72 72 ASP C C 285 175.881 175.031 0.850 1 1 670 . 14 1 1 A 72 72 ASP CA C 285 53.201 53.935 -0.734 1 1 671 . 14 1 1 A 72 72 ASP CB C 285 43.758 41.948 1.810 1 1 672 . 14 1 1 A 72 72 ASP N N 285 122.941 122.998 -0.057 1 1 673 . 14 1 1 A 73 73 ASP H H 286 9.212 8.604 0.608 1 1 674 . 14 1 1 A 73 73 ASP HA H 286 4.263 4.668 -0.405 1 1 676 . 14 1 1 A 73 73 ASP C C 286 174.368 176.009 -1.641 1 1 677 . 14 1 1 A 73 73 ASP CA C 286 56.488 54.376 2.112 1 1 678 . 14 1 1 A 73 73 ASP CB C 286 39.083 40.576 -1.493 1 1 679 . 14 1 1 A 73 73 ASP N N 286 119.175 120.812 -1.637 1 1 680 . 14 1 1 A 74 74 CYS H H 287 8.750 8.470 0.280 1 1 681 . 14 1 1 A 74 74 CYS HA H 287 4.854 5.200 -0.346 1 1 684 . 14 1 1 A 74 74 CYS C C 287 176.146 174.225 1.921 1 1 685 . 14 1 1 A 74 74 CYS CA C 287 58.552 57.684 0.868 1 1 686 . 14 1 1 A 74 74 CYS CB C 287 53.204 29.674 23.530 1 1 687 . 14 1 1 A 74 74 CYS N N 287 119.631 124.024 -4.393 1 1 688 . 14 1 1 A 75 75 THR H H 288 8.535 8.645 -0.110 1 1 689 . 14 1 1 A 75 75 THR HA H 288 4.163 4.303 -0.140 1 1 694 . 14 1 1 A 75 75 THR C C 288 174.663 176.163 -1.500 1 1 695 . 14 1 1 A 75 75 THR CA C 288 61.353 63.127 -1.774 1 1 696 . 14 1 1 A 75 75 THR CB C 288 70.100 69.422 0.678 1 1 698 . 14 1 1 A 75 75 THR N N 288 115.998 121.931 -5.933 1 1 699 . 14 1 1 A 76 76 VAL H H 289 8.083 8.691 -0.608 1 1 700 . 14 1 1 A 76 76 VAL HA H 289 3.414 3.395 0.019 1 1 708 . 14 1 1 A 76 76 VAL C C 289 176.443 176.813 -0.370 1 1 709 . 14 1 1 A 76 76 VAL CA C 289 69.066 66.720 2.346 1 1 710 . 14 1 1 A 76 76 VAL CB C 289 30.361 31.456 -1.095 1 1 713 . 14 1 1 A 76 76 VAL N N 289 120.599 124.068 -3.469 1 1 714 . 14 1 1 A 77 77 GLU H H 290 9.095 8.237 0.858 1 1 715 . 14 1 1 A 77 77 GLU HA H 290 4.027 3.729 0.298 1 1 720 . 14 1 1 A 77 77 GLU C C 290 179.172 178.986 0.186 1 1 721 . 14 1 1 A 77 77 GLU CA C 290 59.831 59.395 0.436 1 1 722 . 14 1 1 A 77 77 GLU CB C 290 29.493 28.974 0.519 1 1 724 . 14 1 1 A 77 77 GLU N N 290 119.191 119.370 -0.179 1 1 725 . 14 1 1 A 78 78 GLN H H 291 7.523 7.712 -0.189 1 1 726 . 14 1 1 A 78 78 GLN HA H 291 4.079 4.055 0.024 1 1 731 . 14 1 1 A 78 78 GLN C C 291 177.815 178.375 -0.560 1 1 732 . 14 1 1 A 78 78 GLN CA C 291 58.920 58.371 0.549 1 1 734 . 14 1 1 A 78 78 GLN N N 291 117.101 119.332 -2.231 1 1 735 . 14 1 1 A 79 79 ILE H H 292 8.368 7.926 0.442 1 1 736 . 14 1 1 A 79 79 ILE HA H 292 3.427 3.665 -0.238 1 1 746 . 14 1 1 A 79 79 ILE C C 292 177.133 177.853 -0.720 1 1 747 . 14 1 1 A 79 79 ILE CA C 292 67.132 64.895 2.237 1 1 748 . 14 1 1 A 79 79 ILE CB C 292 37.163 37.174 -0.011 1 1 752 . 14 1 1 A 79 79 ILE N N 292 120.006 120.124 -0.118 1 1 753 . 14 1 1 A 80 80 TYR H H 293 8.302 7.465 0.837 1 1 754 . 14 1 1 A 80 80 TYR HA H 293 4.179 4.371 -0.192 1 1 759 . 14 1 1 A 80 80 TYR C C 293 178.907 178.135 0.772 1 1 760 . 14 1 1 A 80 80 TYR CA C 293 61.737 60.515 1.222 1 1 761 . 14 1 1 A 80 80 TYR CB C 293 37.201 37.753 -0.552 1 1 764 . 14 1 1 A 80 80 TYR N N 293 116.291 120.352 -4.061 1 1 765 . 14 1 1 A 81 81 GLU H H 294 8.170 8.548 -0.378 1 1 766 . 14 1 1 A 81 81 GLU HA H 294 4.036 4.065 -0.029 1 1 771 . 14 1 1 A 81 81 GLU C C 294 178.414 179.568 -1.154 1 1 772 . 14 1 1 A 81 81 GLU CA C 294 59.768 58.939 0.829 1 1 773 . 14 1 1 A 81 81 GLU CB C 294 29.489 29.360 0.129 1 1 775 . 14 1 1 A 81 81 GLU N N 294 120.325 120.244 0.081 1 1 776 . 14 1 1 A 82 82 ILE H H 295 8.501 7.786 0.715 1 1 777 . 14 1 1 A 82 82 ILE HA H 295 3.675 3.661 0.014 1 1 787 . 14 1 1 A 82 82 ILE C C 295 177.751 178.399 -0.648 1 1 788 . 14 1 1 A 82 82 ILE CA C 295 65.288 64.584 0.704 1 1 789 . 14 1 1 A 82 82 ILE CB C 295 38.497 37.257 1.240 1 1 793 . 14 1 1 A 82 82 ILE N N 295 120.434 120.977 -0.543 1 1 794 . 14 1 1 A 83 83 LEU H H 296 8.508 7.444 1.064 1 1 795 . 14 1 1 A 83 83 LEU HA H 296 4.289 3.687 0.602 1 1 805 . 14 1 1 A 83 83 LEU C C 296 178.393 178.563 -0.170 1 1 806 . 14 1 1 A 83 83 LEU CA C 296 58.937 56.900 2.037 1 1 807 . 14 1 1 A 83 83 LEU CB C 296 39.626 41.558 -1.932 1 1 811 . 14 1 1 A 83 83 LEU N N 296 116.807 121.173 -4.366 1 1 812 . 14 1 1 A 84 84 LYS H H 297 8.048 7.879 0.169 1 1 813 . 14 1 1 A 84 84 LYS HA H 297 3.967 4.108 -0.141 1 1 820 . 14 1 1 A 84 84 LYS C C 297 177.773 178.995 -1.222 1 1 821 . 14 1 1 A 84 84 LYS CA C 297 58.890 59.035 -0.145 1 1 822 . 14 1 1 A 84 84 LYS CB C 297 31.169 32.482 -1.313 1 1 826 . 14 1 1 A 84 84 LYS N N 297 118.687 118.421 0.266 1 1 827 . 14 1 1 A 85 85 ILE H H 298 7.694 7.887 -0.193 1 1 828 . 14 1 1 A 85 85 ILE HA H 298 3.456 3.764 -0.308 1 1 838 . 14 1 1 A 85 85 ILE C C 298 179.100 177.865 1.235 1 1 839 . 14 1 1 A 85 85 ILE CA C 298 65.307 64.697 0.610 1 1 840 . 14 1 1 A 85 85 ILE CB C 298 36.965 37.339 -0.374 1 1 844 . 14 1 1 A 85 85 ILE N N 298 118.157 120.776 -2.619 1 1 845 . 14 1 1 A 86 86 TYR H H 299 7.613 7.732 -0.119 1 1 846 . 14 1 1 A 86 86 TYR HA H 299 4.103 4.559 -0.456 1 1 851 . 14 1 1 A 86 86 TYR C C 299 177.425 178.821 -1.396 1 1 852 . 14 1 1 A 86 86 TYR CA C 299 63.129 60.494 2.635 1 1 853 . 14 1 1 A 86 86 TYR CB C 299 38.745 37.889 0.856 1 1 856 . 14 1 1 A 86 86 TYR N N 299 115.499 120.328 -4.829 1 1 857 . 14 1 1 A 87 87 GLN H H 300 9.112 8.550 0.562 1 1 858 . 14 1 1 A 87 87 GLN HA H 300 3.977 4.209 -0.232 1 1 861 . 14 1 1 A 87 87 GLN C C 300 176.380 177.666 -1.286 1 1 862 . 14 1 1 A 87 87 GLN CA C 300 58.976 58.297 0.679 1 1 863 . 14 1 1 A 87 87 GLN CB C 300 28.819 27.995 0.824 1 1 865 . 14 1 1 A 87 87 GLN N N 300 125.039 117.332 7.707 1 1 866 . 14 1 1 A 88 88 LEU H H 301 7.536 7.931 -0.395 1 1 867 . 14 1 1 A 88 88 LEU HA H 301 4.309 4.197 0.112 1 1 877 . 14 1 1 A 88 88 LEU C C 301 177.129 179.237 -2.108 1 1 878 . 14 1 1 A 88 88 LEU CA C 301 55.142 56.767 -1.625 1 1 879 . 14 1 1 A 88 88 LEU CB C 301 41.809 41.756 0.053 1 1 883 . 14 1 1 A 88 88 LEU N N 301 115.623 121.016 -5.393 1 1 884 . 14 1 1 A 89 89 MET H H 302 7.025 8.341 -1.316 1 1 885 . 14 1 1 A 89 89 MET HA H 302 4.031 4.067 -0.036 1 1 893 . 14 1 1 A 89 89 MET C C 302 172.664 175.853 -3.189 1 1 894 . 14 1 1 A 89 89 MET CA C 302 55.513 58.862 -3.349 1 1 895 . 14 1 1 A 89 89 MET CB C 302 33.748 32.526 1.222 1 1 898 . 14 1 1 A 89 89 MET N N 302 120.789 118.133 2.656 1 1 899 . 14 1 1 A 90 90 ASP H H 303 8.056 8.120 -0.064 1 1 900 . 14 1 1 A 90 90 ASP HA H 303 4.746 4.329 0.417 1 1 903 . 14 1 1 A 90 90 ASP C C 303 177.139 175.108 2.031 1 1 904 . 14 1 1 A 90 90 ASP CA C 303 54.411 54.954 -0.543 1 1 905 . 14 1 1 A 90 90 ASP CB C 303 40.987 39.376 1.611 1 1 906 . 14 1 1 A 90 90 ASP N N 303 117.873 119.281 -1.408 1 1 907 . 14 1 1 A 91 91 HIS H H 304 9.371 7.935 1.436 1 1 908 . 14 1 1 A 91 91 HIS HA H 304 4.657 4.630 0.027 1 1 912 . 14 1 1 A 91 91 HIS C C 304 177.332 174.810 2.522 1 1 913 . 14 1 1 A 91 91 HIS CA C 304 56.031 56.735 -0.704 1 1 914 . 14 1 1 A 91 91 HIS CB C 304 31.150 30.625 0.525 1 1 916 . 14 1 1 A 91 91 HIS N N 304 126.666 118.495 8.171 1 1 917 . 14 1 1 A 92 92 SER H H 305 8.952 8.982 -0.030 1 1 918 . 14 1 1 A 92 92 SER HA H 305 4.055 4.889 -0.834 1 1 921 . 14 1 1 A 92 92 SER CA C 305 63.687 57.083 6.604 1 1 922 . 14 1 1 A 92 92 SER CB C 305 62.694 65.472 -2.778 1 1 923 . 14 1 1 A 92 92 SER N N 305 118.610 116.847 1.763 1 1 924 . 14 1 1 A 93 93 ASN H H 306 8.745 8.834 -0.089 1 1 925 . 14 1 1 A 93 93 ASN HA H 306 4.803 4.248 0.555 1 1 928 . 14 1 1 A 93 93 ASN C C 306 173.428 174.790 -1.362 1 1 929 . 14 1 1 A 93 93 ASN CA C 306 53.018 54.185 -1.167 1 1 930 . 14 1 1 A 93 93 ASN CB C 306 38.033 37.129 0.904 1 1 931 . 14 1 1 A 93 93 ASN N N 306 116.257 124.567 -8.310 1 1 932 . 14 1 1 A 94 94 MET H H 307 7.942 7.815 0.127 1 1 933 . 14 1 1 A 94 94 MET HA H 307 4.683 4.292 0.391 1 1 939 . 14 1 1 A 94 94 MET C C 307 174.640 176.678 -2.038 1 1 940 . 14 1 1 A 94 94 MET CA C 307 53.564 55.481 -1.917 1 1 941 . 14 1 1 A 94 94 MET CB C 307 33.988 33.446 0.542 1 1 944 . 14 1 1 A 94 94 MET N N 307 117.799 116.641 1.158 1 1 945 . 14 1 1 A 95 95 ASP H H 308 8.276 8.557 -0.281 1 1 946 . 14 1 1 A 95 95 ASP HA H 308 5.172 4.084 1.088 1 1 949 . 14 1 1 A 95 95 ASP C C 308 176.264 175.568 0.696 1 1 950 . 14 1 1 A 95 95 ASP CA C 308 55.617 56.820 -1.203 1 1 951 . 14 1 1 A 95 95 ASP CB C 308 45.114 41.020 4.094 1 1 952 . 14 1 1 A 95 95 ASP N N 308 119.567 121.628 -2.061 1 1 953 . 14 1 1 A 96 96 CYS H H 309 8.215 7.741 0.474 1 1 954 . 14 1 1 A 96 96 CYS HA H 309 4.680 4.240 0.440 1 1 957 . 14 1 1 A 96 96 CYS C C 309 170.157 173.775 -3.618 1 1 958 . 14 1 1 A 96 96 CYS CA C 309 57.203 56.326 0.877 1 1 959 . 14 1 1 A 96 96 CYS CB C 309 52.974 30.910 22.064 1 1 960 . 14 1 1 A 96 96 CYS N N 309 118.264 113.676 4.588 1 1 961 . 14 1 1 A 97 97 PHE H H 310 8.108 8.431 -0.323 1 1 962 . 14 1 1 A 97 97 PHE HA H 310 5.071 4.792 0.279 1 1 967 . 14 1 1 A 97 97 PHE C C 310 171.279 175.431 -4.152 1 1 968 . 14 1 1 A 97 97 PHE CA C 310 57.910 56.543 1.367 1 1 969 . 14 1 1 A 97 97 PHE CB C 310 44.724 39.842 4.882 1 1 972 . 14 1 1 A 97 97 PHE N N 310 125.767 116.435 9.332 1 1 973 . 14 1 1 A 98 98 ILE H H 311 7.647 7.042 0.605 1 1 974 . 14 1 1 A 98 98 ILE HA H 311 4.581 3.850 0.731 1 1 984 . 14 1 1 A 98 98 ILE C C 311 172.012 174.954 -2.942 1 1 985 . 14 1 1 A 98 98 ILE CA C 311 58.312 62.384 -4.072 1 1 986 . 14 1 1 A 98 98 ILE CB C 311 39.964 37.832 2.132 1 1 990 . 14 1 1 A 98 98 ILE N N 311 125.102 122.687 2.415 1 1 991 . 14 1 1 A 99 99 CYS H H 312 8.309 8.618 -0.309 1 1 992 . 14 1 1 A 99 99 CYS HA H 312 4.471 5.264 -0.793 1 1 993 . 14 1 1 A 99 99 CYS C C 312 171.965 173.067 -1.102 1 1 994 . 14 1 1 A 99 99 CYS CA C 312 56.347 57.005 -0.658 1 1 995 . 14 1 1 A 99 99 CYS CB C 312 51.093 29.141 21.952 1 1 996 . 14 1 1 A 99 99 CYS N N 312 124.548 126.932 -2.384 1 1 997 . 14 1 1 A 100 100 CYS H H 313 9.116 9.595 -0.479 1 1 998 . 14 1 1 A 100 100 CYS HA H 313 5.880 5.362 0.518 1 1 1001 . 14 1 1 A 100 100 CYS C C 313 173.635 173.340 0.295 1 1 1002 . 14 1 1 A 100 100 CYS CA C 313 55.906 57.152 -1.246 1 1 1003 . 14 1 1 A 100 100 CYS CB C 313 52.685 29.393 23.292 1 1 1004 . 14 1 1 A 100 100 CYS N N 313 127.015 129.155 -2.140 1 1 1005 . 14 1 1 A 101 101 ILE H H 314 8.896 8.983 -0.087 1 1 1006 . 14 1 1 A 101 101 ILE HA H 314 4.737 4.469 0.268 1 1 1016 . 14 1 1 A 101 101 ILE C C 314 172.277 175.560 -3.283 1 1 1017 . 14 1 1 A 101 101 ILE CA C 314 60.937 60.933 0.004 1 1 1018 . 14 1 1 A 101 101 ILE CB C 314 40.848 38.145 2.703 1 1 1022 . 14 1 1 A 101 101 ILE N N 314 121.994 128.704 -6.710 1 1 1023 . 14 1 1 A 102 102 LEU H H 315 8.951 8.540 0.411 1 1 1024 . 14 1 1 A 102 102 LEU HA H 315 5.285 4.097 1.188 1 1 1029 . 14 1 1 A 102 102 LEU C C 315 174.789 177.779 -2.990 1 1 1030 . 14 1 1 A 102 102 LEU CA C 315 52.489 58.062 -5.573 1 1 1031 . 14 1 1 A 102 102 LEU CB C 315 40.041 41.980 -1.939 1 1 1034 . 14 1 1 A 102 102 LEU N N 315 127.404 129.830 -2.426 1 1 1035 . 14 1 1 A 103 103 SER H H 316 9.096 7.918 1.178 1 1 1036 . 14 1 1 A 103 103 SER HA H 316 4.680 4.540 0.140 1 1 1039 . 14 1 1 A 103 103 SER C C 316 174.555 173.567 0.988 1 1 1040 . 14 1 1 A 103 103 SER CA C 316 56.403 57.720 -1.317 1 1 1041 . 14 1 1 A 103 103 SER CB C 316 63.224 63.094 0.130 1 1 1042 . 14 1 1 A 103 103 SER N N 316 113.273 111.965 1.308 1 1 1043 . 14 1 1 A 104 104 HIS H H 317 7.515 8.979 -1.464 1 1 1044 . 14 1 1 A 104 104 HIS HA H 317 5.214 5.285 -0.071 1 1 1048 . 14 1 1 A 104 104 HIS C C 317 175.667 175.005 0.662 1 1 1049 . 14 1 1 A 104 104 HIS CA C 317 56.371 53.458 2.913 1 1 1050 . 14 1 1 A 104 104 HIS CB C 317 34.676 31.245 3.431 1 1 1052 . 14 1 1 A 104 104 HIS N N 317 114.740 127.008 -12.268 1 1 1053 . 14 1 1 A 105 105 GLY H H 318 8.368 8.920 -0.552 1 1 1054 . 14 1 1 A 105 105 GLY C C 318 169.470 173.195 -3.725 1 1 1055 . 14 1 1 A 105 105 GLY CA C 318 45.558 44.403 1.155 1 1 1056 . 14 1 1 A 105 105 GLY N N 318 107.330 113.232 -5.902 1 1 1057 . 14 1 1 A 106 106 ASP H H 319 7.943 8.467 -0.524 1 1 1058 . 14 1 1 A 106 106 ASP HA H 319 4.622 5.299 -0.677 1 1 1061 . 14 1 1 A 106 106 ASP C C 319 175.179 175.576 -0.397 1 1 1062 . 14 1 1 A 106 106 ASP CA C 319 53.188 52.488 0.700 1 1 1063 . 14 1 1 A 106 106 ASP CB C 319 43.555 44.562 -1.007 1 1 1064 . 14 1 1 A 106 106 ASP N N 319 116.893 120.344 -3.451 1 1 1065 . 14 1 1 A 107 107 LYS H H 320 9.376 8.783 0.593 1 1 1066 . 14 1 1 A 107 107 LYS HA H 320 3.956 4.510 -0.554 1 1 1075 . 14 1 1 A 107 107 LYS C C 320 176.864 178.069 -1.205 1 1 1076 . 14 1 1 A 107 107 LYS CA C 320 58.567 56.458 2.109 1 1 1077 . 14 1 1 A 107 107 LYS CB C 320 30.568 33.524 -2.956 1 1 1081 . 14 1 1 A 107 107 LYS N N 320 122.539 119.872 2.667 1 1 1082 . 14 1 1 A 108 108 GLY H H 321 9.025 8.118 0.907 1 1 1083 . 14 1 1 A 108 108 GLY C C 321 173.633 174.320 -0.687 1 1 1084 . 14 1 1 A 108 108 GLY CA C 321 45.491 45.284 0.207 1 1 1085 . 14 1 1 A 108 108 GLY N N 321 111.919 107.711 4.208 1 1 1086 . 14 1 1 A 109 109 ILE H H 322 8.157 7.523 0.634 1 1 1087 . 14 1 1 A 109 109 ILE HA H 322 4.994 4.249 0.745 1 1 1097 . 14 1 1 A 109 109 ILE C C 322 174.524 175.586 -1.062 1 1 1098 . 14 1 1 A 109 109 ILE CA C 322 59.009 60.603 -1.594 1 1 1099 . 14 1 1 A 109 109 ILE CB C 322 43.375 39.559 3.816 1 1 1103 . 14 1 1 A 109 109 ILE N N 322 116.465 118.167 -1.702 1 1 1104 . 14 1 1 A 110 110 ILE H H 323 8.443 8.363 0.080 1 1 1105 . 14 1 1 A 110 110 ILE HA H 323 4.530 4.759 -0.229 1 1 1115 . 14 1 1 A 110 110 ILE C C 323 174.337 174.912 -0.575 1 1 1116 . 14 1 1 A 110 110 ILE CA C 323 58.547 58.889 -0.342 1 1 1117 . 14 1 1 A 110 110 ILE CB C 323 41.604 41.142 0.462 1 1 1121 . 14 1 1 A 110 110 ILE N N 323 116.661 116.065 0.596 1 1 1122 . 14 1 1 A 111 111 TYR H H 324 8.584 7.964 0.620 1 1 1123 . 14 1 1 A 111 111 TYR HA H 324 5.557 4.519 1.038 1 1 1128 . 14 1 1 A 111 111 TYR C C 324 178.528 176.312 2.216 1 1 1129 . 14 1 1 A 111 111 TYR CA C 324 56.571 58.112 -1.541 1 1 1130 . 14 1 1 A 111 111 TYR CB C 324 39.984 39.301 0.683 1 1 1133 . 14 1 1 A 111 111 TYR N N 324 119.472 123.361 -3.889 1 1 1134 . 14 1 1 A 112 112 GLY H H 325 8.522 9.550 -1.028 1 1 1135 . 14 1 1 A 112 112 GLY C C 325 174.755 173.762 0.993 1 1 1136 . 14 1 1 A 112 112 GLY CA C 325 43.145 45.597 -2.452 1 1 1137 . 14 1 1 A 112 112 GLY N N 325 107.078 111.179 -4.101 1 1 1138 . 14 1 1 A 113 113 THR H H 326 8.245 7.995 0.250 1 1 1139 . 14 1 1 A 113 113 THR HA H 326 3.186 4.933 -1.747 1 1 1144 . 14 1 1 A 113 113 THR C C 326 173.264 173.979 -0.715 1 1 1145 . 14 1 1 A 113 113 THR CA C 326 64.857 61.186 3.671 1 1 1146 . 14 1 1 A 113 113 THR CB C 326 66.749 72.862 -6.113 1 1 1148 . 14 1 1 A 113 113 THR N N 326 113.146 114.122 -0.976 1 1 1149 . 14 1 1 A 114 114 ASP H H 327 8.801 9.167 -0.366 1 1 1150 . 14 1 1 A 114 114 ASP HA H 327 4.099 4.329 -0.230 1 1 1153 . 14 1 1 A 114 114 ASP C C 327 176.262 178.729 -2.467 1 1 1154 . 14 1 1 A 114 114 ASP CA C 327 52.768 56.627 -3.859 1 1 1155 . 14 1 1 A 114 114 ASP CB C 327 39.312 40.261 -0.949 1 1 1156 . 14 1 1 A 114 114 ASP N N 327 112.026 124.919 -12.893 1 1 1157 . 14 1 1 A 115 115 GLY H H 328 8.462 8.345 0.117 1 1 1158 . 14 1 1 A 115 115 GLY HA2 H 328 4.010 3.795 0.215 1 1 1159 . 14 1 1 A 115 115 GLY HA3 H 328 4.010 3.800 0.210 1 1 1160 . 14 1 1 A 115 115 GLY C C 328 171.918 174.180 -2.262 1 1 1161 . 14 1 1 A 115 115 GLY CA C 328 45.463 47.321 -1.858 1 1 1162 . 14 1 1 A 115 115 GLY N N 328 107.749 107.174 0.575 1 1 1163 . 14 1 1 A 116 116 GLN H H 329 6.657 7.787 -1.130 1 1 1164 . 14 1 1 A 116 116 GLN HA H 329 4.441 4.718 -0.277 1 1 1170 . 14 1 1 A 116 116 GLN C C 329 174.196 175.119 -0.923 1 1 1171 . 14 1 1 A 116 116 GLN CA C 329 55.204 54.407 0.797 1 1 1172 . 14 1 1 A 116 116 GLN CB C 329 28.541 32.741 -4.200 1 1 1174 . 14 1 1 A 116 116 GLN N N 329 115.146 116.857 -1.711 1 1 1176 . 14 1 1 A 117 117 GLU H H 330 8.624 8.952 -0.328 1 1 1177 . 14 1 1 A 117 117 GLU HA H 330 4.733 4.778 -0.045 1 1 1178 . 14 1 1 A 117 117 GLU C C 330 175.357 175.582 -0.225 1 1 1179 . 14 1 1 A 117 117 GLU CA C 330 55.191 55.868 -0.677 1 1 1180 . 14 1 1 A 117 117 GLU CB C 330 32.586 31.172 1.414 1 1 1182 . 14 1 1 A 117 117 GLU N N 330 119.031 125.146 -6.115 1 1 1183 . 14 1 1 A 118 118 ALA H H 331 8.995 7.650 1.345 1 1 1184 . 14 1 1 A 118 118 ALA HA H 331 5.165 4.951 0.214 1 1 1188 . 14 1 1 A 118 118 ALA C C 331 173.650 174.087 -0.437 1 1 1189 . 14 1 1 A 118 118 ALA CA C 331 48.343 50.364 -2.021 1 1 1190 . 14 1 1 A 118 118 ALA CB C 331 20.353 22.019 -1.666 1 1 1191 . 14 1 1 A 118 118 ALA N N 331 123.550 121.090 2.460 1 1 1192 . 14 1 1 A 119 119 PRO HA H 332 4.819 4.790 0.029 1 1 1193 . 14 1 1 A 119 119 PRO C C 332 177.819 177.969 -0.150 1 1 1194 . 14 1 1 A 119 119 PRO CA C 332 62.007 62.793 -0.786 1 1 1195 . 14 1 1 A 119 119 PRO CB C 332 32.081 31.694 0.387 1 1 1197 . 14 1 1 A 120 120 ILE H H 333 8.574 8.932 -0.358 1 1 1198 . 14 1 1 A 120 120 ILE HA H 333 3.278 3.860 -0.582 1 1 1206 . 14 1 1 A 120 120 ILE C C 333 177.316 177.276 0.040 1 1 1207 . 14 1 1 A 120 120 ILE CA C 333 66.025 63.886 2.139 1 1 1208 . 14 1 1 A 120 120 ILE CB C 333 37.991 37.542 0.449 1 1 1212 . 14 1 1 A 120 120 ILE N N 333 126.740 125.697 1.043 1 1 1213 . 14 1 1 A 121 121 TYR H H 334 9.192 7.857 1.335 1 1 1214 . 14 1 1 A 121 121 TYR HA H 334 3.942 4.254 -0.312 1 1 1219 . 14 1 1 A 121 121 TYR C C 334 177.847 177.978 -0.131 1 1 1220 . 14 1 1 A 121 121 TYR CA C 334 60.688 60.558 0.130 1 1 1221 . 14 1 1 A 121 121 TYR CB C 334 38.803 37.834 0.969 1 1 1224 . 14 1 1 A 121 121 TYR N N 334 117.479 121.088 -3.609 1 1 1225 . 14 1 1 A 122 122 GLU H H 335 7.178 8.500 -1.322 1 1 1226 . 14 1 1 A 122 122 GLU HA H 335 3.751 4.101 -0.350 1 1 1228 . 14 1 1 A 122 122 GLU C C 335 176.427 179.178 -2.751 1 1 1229 . 14 1 1 A 122 122 GLU CA C 335 58.378 58.607 -0.229 1 1 1230 . 14 1 1 A 122 122 GLU CB C 335 29.477 29.574 -0.097 1 1 1232 . 14 1 1 A 122 122 GLU N N 335 115.885 121.525 -5.640 1 1 1233 . 14 1 1 A 123 123 LEU H H 336 7.440 8.026 -0.586 1 1 1234 . 14 1 1 A 123 123 LEU HA H 336 4.123 4.116 0.007 1 1 1244 . 14 1 1 A 123 123 LEU C C 336 177.925 179.464 -1.539 1 1 1245 . 14 1 1 A 123 123 LEU CA C 336 56.646 58.011 -1.365 1 1 1246 . 14 1 1 A 123 123 LEU CB C 336 40.661 42.010 -1.349 1 1 1250 . 14 1 1 A 123 123 LEU N N 336 115.934 120.177 -4.243 1 1 1251 . 14 1 1 A 124 124 THR H H 337 8.009 8.436 -0.427 1 1 1252 . 14 1 1 A 124 124 THR HA H 337 3.597 4.136 -0.539 1 1 1257 . 14 1 1 A 124 124 THR C C 337 177.568 175.629 1.939 1 1 1258 . 14 1 1 A 124 124 THR CA C 337 64.110 64.047 0.063 1 1 1259 . 14 1 1 A 124 124 THR CB C 337 67.603 68.392 -0.789 1 1 1261 . 14 1 1 A 124 124 THR N N 337 107.827 110.058 -2.231 1 1 1262 . 14 1 1 A 125 125 SER H H 338 7.435 7.703 -0.268 1 1 1263 . 14 1 1 A 125 125 SER HA H 338 3.723 4.343 -0.620 1 1 1266 . 14 1 1 A 125 125 SER C C 338 174.040 174.933 -0.893 1 1 1267 . 14 1 1 A 125 125 SER CA C 338 60.514 59.223 1.291 1 1 1268 . 14 1 1 A 125 125 SER CB C 338 62.391 62.442 -0.051 1 1 1269 . 14 1 1 A 125 125 SER N N 338 112.670 117.413 -4.743 1 1 1270 . 14 1 1 A 126 126 GLN H H 339 7.071 7.511 -0.440 1 1 1271 . 14 1 1 A 126 126 GLN HA H 339 3.850 4.229 -0.379 1 1 1276 . 14 1 1 A 126 126 GLN C C 339 173.915 177.541 -3.626 1 1 1277 . 14 1 1 A 126 126 GLN CA C 339 56.106 58.142 -2.036 1 1 1278 . 14 1 1 A 126 126 GLN CB C 339 27.028 28.853 -1.825 1 1 1280 . 14 1 1 A 126 126 GLN N N 339 117.347 120.249 -2.902 1 1 1281 . 14 1 1 A 127 127 PHE H H 340 7.355 7.267 0.088 1 1 1282 . 14 1 1 A 127 127 PHE HA H 340 4.515 4.710 -0.195 1 1 1285 . 14 1 1 A 127 127 PHE C C 340 175.241 175.837 -0.596 1 1 1286 . 14 1 1 A 127 127 PHE CA C 340 57.914 57.335 0.579 1 1 1287 . 14 1 1 A 127 127 PHE CB C 340 38.496 39.468 -0.972 1 1 1288 . 14 1 1 A 127 127 PHE N N 340 110.412 114.234 -3.822 1 1 1289 . 14 1 1 A 128 128 THR H H 341 6.785 7.298 -0.513 1 1 1290 . 14 1 1 A 128 128 THR HA H 341 4.294 4.191 0.103 1 1 1295 . 14 1 1 A 128 128 THR C C 341 174.727 176.442 -1.715 1 1 1296 . 14 1 1 A 128 128 THR CA C 341 62.016 63.765 -1.749 1 1 1297 . 14 1 1 A 128 128 THR CB C 341 69.757 69.527 0.230 1 1 1299 . 14 1 1 A 128 128 THR N N 341 107.455 116.083 -8.628 1 1 1300 . 14 1 1 A 129 129 GLY H H 342 10.506 8.851 1.655 1 1 1301 . 14 1 1 A 129 129 GLY HA2 H 342 3.841 3.935 -0.094 1 1 1302 . 14 1 1 A 129 129 GLY HA3 H 342 3.648 3.938 -0.290 1 1 1303 . 14 1 1 A 129 129 GLY C C 342 175.631 174.690 0.941 1 1 1304 . 14 1 1 A 129 129 GLY CA C 342 47.056 46.713 0.343 1 1 1305 . 14 1 1 A 129 129 GLY N N 342 111.023 113.820 -2.797 1 1 1306 . 14 1 1 A 130 130 LEU H H 343 8.003 7.903 0.100 1 1 1307 . 14 1 1 A 130 130 LEU HA H 343 4.135 4.447 -0.312 1 1 1317 . 14 1 1 A 130 130 LEU C C 343 178.627 177.518 1.109 1 1 1318 . 14 1 1 A 130 130 LEU CA C 343 56.606 55.031 1.575 1 1 1319 . 14 1 1 A 130 130 LEU CB C 343 42.399 42.473 -0.074 1 1 1323 . 14 1 1 A 130 130 LEU N N 343 116.983 119.358 -2.375 1 1 1324 . 14 1 1 A 131 131 LYS H H 344 6.961 7.866 -0.905 1 1 1325 . 14 1 1 A 131 131 LYS HA H 344 4.001 4.477 -0.476 1 1 1333 . 14 1 1 A 131 131 LYS C C 344 176.224 176.796 -0.572 1 1 1334 . 14 1 1 A 131 131 LYS CA C 344 57.534 56.095 1.439 1 1 1335 . 14 1 1 A 131 131 LYS CB C 344 33.404 34.898 -1.494 1 1 1339 . 14 1 1 A 131 131 LYS N N 344 116.907 115.961 0.946 1 1 1340 . 14 1 1 A 132 132 CYS H H 345 8.564 8.277 0.287 1 1 1341 . 14 1 1 A 132 132 CYS HA H 345 4.930 4.842 0.088 1 1 1344 . 14 1 1 A 132 132 CYS C C 345 172.261 172.840 -0.579 1 1 1345 . 14 1 1 A 132 132 CYS CA C 345 56.566 57.160 -0.594 1 1 1346 . 14 1 1 A 132 132 CYS CB C 345 49.011 27.936 21.075 1 1 1347 . 14 1 1 A 132 132 CYS N N 345 117.718 116.752 0.966 1 1 1348 . 14 1 1 A 133 133 PRO HA H 346 4.719 4.479 0.240 1 1 1354 . 14 1 1 A 133 133 PRO C C 346 179.500 177.904 1.596 1 1 1355 . 14 1 1 A 133 133 PRO CA C 346 62.681 64.393 -1.712 1 1 1356 . 14 1 1 A 133 133 PRO CB C 346 34.366 32.007 2.359 1 1 1359 . 14 1 1 A 134 134 SER H H 347 8.896 8.426 0.470 1 1 1360 . 14 1 1 A 134 134 SER HA H 347 4.415 4.211 0.204 1 1 1363 . 14 1 1 A 134 134 SER C C 347 174.434 175.548 -1.114 1 1 1364 . 14 1 1 A 134 134 SER CA C 347 60.509 61.291 -0.782 1 1 1365 . 14 1 1 A 134 134 SER CB C 347 62.207 62.954 -0.747 1 1 1366 . 14 1 1 A 134 134 SER N N 347 112.882 114.089 -1.207 1 1 1367 . 14 1 1 A 135 135 LEU H H 348 7.549 7.529 0.020 1 1 1368 . 14 1 1 A 135 135 LEU HA H 348 4.466 4.388 0.078 1 1 1378 . 14 1 1 A 135 135 LEU C C 348 176.458 178.428 -1.970 1 1 1379 . 14 1 1 A 135 135 LEU CA C 348 53.787 55.312 -1.525 1 1 1380 . 14 1 1 A 135 135 LEU CB C 348 44.189 42.486 1.703 1 1 1384 . 14 1 1 A 135 135 LEU N N 348 118.501 119.141 -0.640 1 1 1385 . 14 1 1 A 136 136 ALA H H 349 7.776 8.237 -0.461 1 1 1386 . 14 1 1 A 136 136 ALA HA H 349 4.056 4.371 -0.315 1 1 1390 . 14 1 1 A 136 136 ALA C C 349 178.620 179.831 -1.211 1 1 1391 . 14 1 1 A 136 136 ALA CA C 349 54.406 54.905 -0.499 1 1 1392 . 14 1 1 A 136 136 ALA CB C 349 17.934 18.476 -0.542 1 1 1393 . 14 1 1 A 136 136 ALA N N 349 125.801 122.413 3.388 1 1 1394 . 14 1 1 A 137 137 GLY H H 350 9.371 8.557 0.814 1 1 1395 . 14 1 1 A 137 137 GLY C C 350 173.026 173.736 -0.710 1 1 1396 . 14 1 1 A 137 137 GLY CA C 350 45.132 46.000 -0.868 1 1 1397 . 14 1 1 A 137 137 GLY N N 350 111.181 106.204 4.977 1 1 1398 . 14 1 1 A 138 138 LYS H H 351 8.038 7.032 1.006 1 1 1399 . 14 1 1 A 138 138 LYS HA H 351 4.660 4.873 -0.213 1 1 1400 . 14 1 1 A 138 138 LYS C C 351 172.078 174.072 -1.994 1 1 1401 . 14 1 1 A 138 138 LYS CA C 351 52.728 53.360 -0.632 1 1 1402 . 14 1 1 A 138 138 LYS CB C 351 32.069 34.932 -2.863 1 1 1404 . 14 1 1 A 138 138 LYS N N 351 119.821 117.012 2.809 1 1 1405 . 14 1 1 A 139 139 PRO HA H 352 4.300 4.418 -0.118 1 1 1412 . 14 1 1 A 139 139 PRO C C 352 173.954 174.786 -0.832 1 1 1413 . 14 1 1 A 139 139 PRO CA C 352 62.595 62.238 0.357 1 1 1414 . 14 1 1 A 139 139 PRO CB C 352 31.399 33.083 -1.684 1 1 1417 . 14 1 1 A 140 140 LYS H H 353 8.188 8.492 -0.304 1 1 1418 . 14 1 1 A 140 140 LYS HA H 353 4.610 4.240 0.370 1 1 1419 . 14 1 1 A 140 140 LYS C C 353 173.494 175.522 -2.028 1 1 1420 . 14 1 1 A 140 140 LYS CA C 353 55.344 54.434 0.910 1 1 1421 . 14 1 1 A 140 140 LYS CB C 353 32.527 37.071 -4.544 1 1 1423 . 14 1 1 A 140 140 LYS N N 353 123.304 120.329 2.975 1 1 1424 . 14 1 1 A 141 141 VAL H H 354 8.344 8.101 0.243 1 1 1425 . 14 1 1 A 141 141 VAL HA H 354 4.533 5.033 -0.500 1 1 1433 . 14 1 1 A 141 141 VAL C C 354 172.277 174.127 -1.850 1 1 1434 . 14 1 1 A 141 141 VAL CA C 354 60.596 60.577 0.019 1 1 1435 . 14 1 1 A 141 141 VAL CB C 354 33.580 34.926 -1.346 1 1 1438 . 14 1 1 A 141 141 VAL N N 354 122.550 120.501 2.049 1 1 1439 . 14 1 1 A 142 142 PHE H H 355 8.985 8.875 0.110 1 1 1440 . 14 1 1 A 142 142 PHE HA H 355 5.436 5.098 0.338 1 1 1441 . 14 1 1 A 142 142 PHE C C 355 173.666 174.344 -0.678 1 1 1442 . 14 1 1 A 142 142 PHE CA C 355 54.968 56.171 -1.203 1 1 1443 . 14 1 1 A 142 142 PHE CB C 355 42.877 40.892 1.985 1 1 1444 . 14 1 1 A 142 142 PHE N N 355 123.850 124.983 -1.133 1 1 1445 . 14 1 1 A 143 143 PHE H H 356 8.584 8.300 0.284 1 1 1446 . 14 1 1 A 143 143 PHE HA H 356 5.934 5.163 0.771 1 1 1449 . 14 1 1 A 143 143 PHE C C 356 174.526 175.088 -0.562 1 1 1450 . 14 1 1 A 143 143 PHE CA C 356 55.909 57.406 -1.497 1 1 1451 . 14 1 1 A 143 143 PHE CB C 356 39.923 41.786 -1.863 1 1 1454 . 14 1 1 A 143 143 PHE N N 356 119.801 122.950 -3.149 1 1 1455 . 14 1 1 A 144 144 ILE H H 357 9.020 8.876 0.144 1 1 1456 . 14 1 1 A 144 144 ILE HA H 357 5.040 4.849 0.191 1 1 1466 . 14 1 1 A 144 144 ILE C C 357 173.323 173.174 0.149 1 1 1467 . 14 1 1 A 144 144 ILE CA C 357 59.479 59.456 0.023 1 1 1468 . 14 1 1 A 144 144 ILE CB C 357 40.898 42.154 -1.256 1 1 1472 . 14 1 1 A 144 144 ILE N N 357 121.194 120.564 0.630 1 1 1473 . 14 1 1 A 145 145 GLN H H 358 8.856 8.768 0.088 1 1 1474 . 14 1 1 A 145 145 GLN HA H 358 4.670 4.474 0.196 1 1 1475 . 14 1 1 A 145 145 GLN C C 358 171.591 176.515 -4.924 1 1 1476 . 14 1 1 A 145 145 GLN CA C 358 53.648 54.392 -0.744 1 1 1477 . 14 1 1 A 145 145 GLN CB C 358 30.373 28.971 1.402 1 1 1479 . 14 1 1 A 145 145 GLN N N 358 128.880 128.645 0.235 1 1 1480 . 14 1 1 A 146 146 ALA H H 359 8.418 8.675 -0.257 1 1 1481 . 14 1 1 A 146 146 ALA HA H 359 5.247 4.496 0.751 1 1 1485 . 14 1 1 A 146 146 ALA C C 359 175.319 176.796 -1.477 1 1 1486 . 14 1 1 A 146 146 ALA CA C 359 50.243 52.050 -1.807 1 1 1487 . 14 1 1 A 146 146 ALA CB C 359 18.786 19.041 -0.255 1 1 1488 . 14 1 1 A 146 146 ALA N N 359 128.349 128.763 -0.414 1 1 1489 . 14 1 1 A 147 147 ALA H H 360 8.161 7.287 0.874 1 1 1490 . 14 1 1 A 147 147 ALA HA H 360 4.343 3.612 0.731 1 1 1494 . 14 1 1 A 147 147 ALA C C 360 177.238 177.875 -0.637 1 1 1495 . 14 1 1 A 147 147 ALA CA C 360 52.078 52.194 -0.116 1 1 1496 . 14 1 1 A 147 147 ALA CB C 360 20.003 19.150 0.853 1 1 1497 . 14 1 1 A 147 147 ALA N N 360 123.005 121.168 1.837 1 1 1498 . 14 1 1 A 148 148 GLN H H 361 8.461 9.391 -0.930 1 1 1499 . 14 1 1 A 148 148 GLN HA H 361 4.663 4.073 0.590 1 1 1504 . 14 1 1 A 148 148 GLN C C 361 176.333 176.116 0.217 1 1 1505 . 14 1 1 A 148 148 GLN CA C 361 55.760 58.322 -2.562 1 1 1506 . 14 1 1 A 148 148 GLN CB C 361 29.937 29.450 0.487 1 1 1508 . 14 1 1 A 148 148 GLN N N 361 120.296 120.533 -0.237 1 1 1509 . 14 1 1 A 149 149 GLY H H 362 8.631 7.796 0.835 1 1 1510 . 14 1 1 A 149 149 GLY HA2 H 362 3.858 3.978 -0.120 1 1 1511 . 14 1 1 A 149 149 GLY HA3 H 362 3.858 3.990 -0.132 1 1 1512 . 14 1 1 A 149 149 GLY C C 362 172.022 174.418 -2.396 1 1 1513 . 14 1 1 A 149 149 GLY CA C 362 44.969 46.917 -1.948 1 1 1514 . 14 1 1 A 149 149 GLY N N 362 109.782 106.872 2.910 1 1 1515 . 14 1 1 A 150 150 ASP H H 363 7.566 8.225 -0.659 1 1 1516 . 14 1 1 A 150 150 ASP HA H 363 4.661 4.954 -0.293 1 1 1519 . 14 1 1 A 150 150 ASP C C 363 174.446 175.194 -0.748 1 1 1520 . 14 1 1 A 150 150 ASP CA C 363 57.776 53.787 3.989 1 1 1521 . 14 1 1 A 150 150 ASP CB C 363 39.423 41.972 -2.549 1 1 1522 . 14 1 1 A 150 150 ASP N N 363 118.182 119.802 -1.620 1 1 1523 . 14 1 1 A 153 153 GLN HA H 366 4.665 4.971 -0.306 1 1 1530 . 14 1 1 A 153 153 GLN CA C 366 53.779 54.387 -0.608 1 1 1531 . 14 1 1 A 153 153 GLN CB C 366 28.988 32.323 -3.335 1 1 1534 . 14 1 1 A 155 155 GLY HA2 H 368 3.899 3.869 0.030 1 1 1535 . 14 1 1 A 155 155 GLY HA3 H 368 3.899 3.885 0.014 1 1 1536 . 14 1 1 A 155 155 GLY CA C 368 45.013 47.490 -2.477 1 1 1537 . 14 1 1 A 156 156 ILE H H 369 7.871 8.160 -0.289 1 1 1538 . 14 1 1 A 156 156 ILE HA H 369 4.428 4.833 -0.405 1 1 1548 . 14 1 1 A 156 156 ILE C C 369 174.196 175.350 -1.154 1 1 1549 . 14 1 1 A 156 156 ILE CA C 369 58.676 57.151 1.525 1 1 1550 . 14 1 1 A 156 156 ILE CB C 369 38.516 40.146 -1.630 1 1 1554 . 14 1 1 A 156 156 ILE N N 369 120.958 121.125 -0.167 1 1 1555 . 14 1 1 A 157 157 PRO HA H 370 4.386 4.519 -0.133 1 1 1562 . 14 1 1 A 157 157 PRO C C 370 176.218 177.165 -0.947 1 1 1563 . 14 1 1 A 157 157 PRO CA C 370 63.431 64.483 -1.052 1 1 1564 . 14 1 1 A 157 157 PRO CB C 370 31.913 32.017 -0.104 1 1 1567 . 14 1 1 A 158 158 VAL H H 371 8.137 8.175 -0.038 1 1 1568 . 14 1 1 A 158 158 VAL HA H 371 4.089 4.085 0.004 1 1 1576 . 14 1 1 A 158 158 VAL C C 371 175.904 176.294 -0.390 1 1 1577 . 14 1 1 A 158 158 VAL CA C 371 62.121 61.551 0.570 1 1 1578 . 14 1 1 A 158 158 VAL CB C 371 32.958 31.462 1.496 1 1 1581 . 14 1 1 A 158 158 VAL N N 371 119.640 115.614 4.026 1 1 1582 . 14 1 1 A 159 159 GLU H H 372 8.523 8.866 -0.343 1 1 1583 . 14 1 1 A 159 159 GLU HA H 372 4.345 4.477 -0.132 1 1 1588 . 14 1 1 A 159 159 GLU C C 372 176.068 175.568 0.500 1 1 1589 . 14 1 1 A 159 159 GLU CA C 372 56.474 56.218 0.256 1 1 1590 . 14 1 1 A 159 159 GLU CB C 372 30.078 29.596 0.482 1 1 1592 . 14 1 1 A 159 159 GLU N N 372 123.765 123.015 0.750 1 1 1593 . 14 1 1 A 160 160 THR H H 373 8.096 7.618 0.478 1 1 1594 . 14 1 1 A 160 160 THR HA H 373 4.311 5.041 -0.730 1 1 1599 . 14 1 1 A 160 160 THR C C 373 173.701 172.844 0.857 1 1 1600 . 14 1 1 A 160 160 THR CA C 373 61.845 60.547 1.298 1 1 1601 . 14 1 1 A 160 160 THR CB C 373 69.760 71.235 -1.475 1 1 1603 . 14 1 1 A 160 160 THR N N 373 114.143 110.746 3.397 1 1 1604 . 14 1 1 A 161 161 ASP H H 374 8.387 9.019 -0.632 1 1 1605 . 14 1 1 A 161 161 ASP HA H 374 4.625 5.027 -0.402 1 1 1608 . 14 1 1 A 161 161 ASP C C 374 175.806 174.763 1.043 1 1 1609 . 14 1 1 A 161 161 ASP CA C 374 54.478 53.290 1.188 1 1 1610 . 14 1 1 A 161 161 ASP CB C 374 41.096 44.082 -2.986 1 1 1611 . 14 1 1 A 161 161 ASP N N 374 122.070 125.639 -3.569 1 1 1612 . 14 1 1 A 162 162 SER H H 375 8.175 8.544 -0.369 1 1 1613 . 14 1 1 A 162 162 SER HA H 375 4.385 3.971 0.414 1 1 1616 . 14 1 1 A 162 162 SER C C 375 174.169 173.099 1.070 1 1 1617 . 14 1 1 A 162 162 SER CA C 375 58.631 58.718 -0.087 1 1 1618 . 14 1 1 A 162 162 SER CB C 375 63.814 61.792 2.022 1 1 1619 . 14 1 1 A 162 162 SER N N 375 115.346 117.601 -2.255 1 1 1620 . 14 1 1 A 163 163 GLU H H 376 8.424 8.087 0.337 1 1 1621 . 14 1 1 A 163 163 GLU HA H 376 4.263 4.799 -0.536 1 1 1626 . 14 1 1 A 163 163 GLU C C 376 175.959 175.876 0.083 1 1 1627 . 14 1 1 A 163 163 GLU CA C 376 56.567 55.566 1.001 1 1 1628 . 14 1 1 A 163 163 GLU CB C 376 30.044 30.947 -0.903 1 1 1630 . 14 1 1 A 163 163 GLU N N 376 122.034 117.762 4.272 1 1 1631 . 14 1 1 A 164 164 GLU H H 377 8.298 8.876 -0.578 1 1 1632 . 14 1 1 A 164 164 GLU HA H 377 4.224 4.479 -0.255 1 1 1637 . 14 1 1 A 164 164 GLU C C 377 175.816 177.933 -2.117 1 1 1638 . 14 1 1 A 164 164 GLU CA C 377 56.489 56.280 0.209 1 1 1639 . 14 1 1 A 164 164 GLU CB C 377 30.220 30.831 -0.611 1 1 1641 . 14 1 1 A 164 164 GLU N N 377 120.980 123.114 -2.134 1 1 1642 . 14 1 1 A 165 165 GLN H H 378 8.340 8.678 -0.338 1 1 1643 . 14 1 1 A 165 165 GLN HA H 378 4.563 4.032 0.531 1 1 1645 . 14 1 1 A 165 165 GLN C C 378 173.510 176.881 -3.371 1 1 1646 . 14 1 1 A 165 165 GLN CA C 378 53.530 60.899 -7.369 1 1 1647 . 14 1 1 A 165 165 GLN CB C 378 28.816 28.064 0.752 1 1 1649 . 14 1 1 A 165 165 GLN N N 378 121.693 120.946 0.747 1 1 1650 . 14 1 1 A 166 166 PRO HA H 379 4.381 4.802 -0.421 1 1 1657 . 14 1 1 A 166 166 PRO C C 379 176.081 176.193 -0.112 1 1 1658 . 14 1 1 A 166 166 PRO CA C 379 63.260 62.460 0.800 1 1 1659 . 14 1 1 A 166 166 PRO CB C 379 32.010 29.303 2.707 1 1 1662 . 14 1 1 A 167 167 TYR H H 380 8.116 8.565 -0.449 1 1 1663 . 14 1 1 A 167 167 TYR HA H 380 4.513 4.679 -0.166 1 1 1668 . 14 1 1 A 167 167 TYR C C 380 174.992 175.157 -0.165 1 1 1669 . 14 1 1 A 167 167 TYR CA C 380 57.699 57.603 0.096 1 1 1670 . 14 1 1 A 167 167 TYR CB C 380 38.344 39.915 -1.571 1 1 1673 . 14 1 1 A 167 167 TYR N N 380 119.531 119.597 -0.066 1 1 1674 . 14 1 1 A 168 168 LEU H H 381 7.953 8.386 -0.433 1 1 1675 . 14 1 1 A 168 168 LEU HA H 381 4.267 4.434 -0.167 1 1 1685 . 14 1 1 A 168 168 LEU C C 381 176.162 176.628 -0.466 1 1 1686 . 14 1 1 A 168 168 LEU CA C 381 54.808 53.947 0.861 1 1 1687 . 14 1 1 A 168 168 LEU CB C 381 42.735 41.980 0.755 1 1 1691 . 14 1 1 A 168 168 LEU N N 381 124.133 121.820 2.313 1 1 1692 . 14 1 1 A 169 169 GLU H H 382 8.190 8.433 -0.243 1 1 1693 . 14 1 1 A 169 169 GLU HA H 382 4.167 4.418 -0.251 1 1 1698 . 14 1 1 A 169 169 GLU C C 382 175.881 177.260 -1.379 1 1 1699 . 14 1 1 A 169 169 GLU CA C 382 56.655 54.694 1.961 1 1 1700 . 14 1 1 A 169 169 GLU CB C 382 30.058 30.378 -0.320 1 1 1702 . 14 1 1 A 169 169 GLU N N 382 121.131 124.757 -3.626 1 1 1703 . 14 1 1 A 170 170 MET H H 383 8.214 8.494 -0.280 1 1 1704 . 14 1 1 A 170 170 MET HA H 383 4.377 4.238 0.139 1 1 1709 . 14 1 1 A 170 170 MET C C 383 175.132 175.962 -0.830 1 1 1710 . 14 1 1 A 170 170 MET CA C 383 55.606 58.197 -2.591 1 1 1711 . 14 1 1 A 170 170 MET CB C 383 33.091 33.181 -0.090 1 1 1713 . 14 1 1 A 170 170 MET N N 383 120.601 120.689 -0.088 1 1 1714 . 14 1 1 A 171 171 ASP H H 384 8.358 7.771 0.587 1 1 1715 . 14 1 1 A 171 171 ASP HA H 384 4.575 5.070 -0.495 1 1 1718 . 14 1 1 A 171 171 ASP C C 384 175.966 175.267 0.699 1 1 1719 . 14 1 1 A 171 171 ASP CA C 384 53.741 52.720 1.021 1 1 1720 . 14 1 1 A 171 171 ASP CB C 384 40.571 45.452 -4.881 1 1 1721 . 14 1 1 A 171 171 ASP N N 384 121.104 116.233 4.871 1 1 1722 . 14 1 1 A 172 172 LEU H H 385 8.285 8.303 -0.018 1 1 1723 . 14 1 1 A 172 172 LEU HA H 385 4.305 4.795 -0.490 1 1 1733 . 14 1 1 A 172 172 LEU C C 385 177.140 175.435 1.705 1 1 1734 . 14 1 1 A 172 172 LEU CA C 385 55.122 53.467 1.655 1 1 1735 . 14 1 1 A 172 172 LEU CB C 385 41.851 43.774 -1.923 1 1 1739 . 14 1 1 A 172 172 LEU N N 385 123.115 119.682 3.433 1 1 1740 . 14 1 1 A 173 173 SER H H 386 8.290 8.781 -0.491 1 1 1741 . 14 1 1 A 173 173 SER N N 386 115.101 115.698 -0.597 1 1 1742 . 14 1 1 A 176 176 GLN HA H 389 4.383 4.481 -0.098 1 1 1749 . 14 1 1 A 176 176 GLN CA C 389 55.991 55.112 0.879 1 1 1750 . 14 1 1 A 176 176 GLN CB C 389 29.280 29.673 -0.393 1 1 1753 . 14 1 1 A 177 177 THR H H 390 6.958 8.449 -1.491 1 1 1754 . 14 1 1 A 177 177 THR HA H 390 3.970 4.444 -0.474 1 1 1759 . 14 1 1 A 177 177 THR C C 390 172.764 173.824 -1.060 1 1 1760 . 14 1 1 A 177 177 THR CA C 390 62.221 62.521 -0.300 1 1 1761 . 14 1 1 A 177 177 THR CB C 390 69.382 69.524 -0.142 1 1 1763 . 14 1 1 A 177 177 THR N N 390 115.463 119.683 -4.220 1 1 1764 . 14 1 1 A 178 178 ARG H H 391 7.873 8.335 -0.462 1 1 1765 . 14 1 1 A 178 178 ARG C C 391 174.982 175.080 -0.098 1 1 1766 . 14 1 1 A 178 178 ARG CA C 391 55.266 55.450 -0.184 1 1 1767 . 14 1 1 A 178 178 ARG CB C 391 31.052 32.136 -1.084 1 1 1769 . 14 1 1 A 178 178 ARG N N 391 122.116 121.958 0.158 1 1 1770 . 14 1 1 A 179 179 TYR H H 392 8.812 8.900 -0.088 1 1 1771 . 14 1 1 A 179 179 TYR HA H 392 4.621 5.172 -0.551 1 1 1776 . 14 1 1 A 179 179 TYR C C 392 174.337 173.718 0.619 1 1 1777 . 14 1 1 A 179 179 TYR CA C 392 57.444 57.878 -0.434 1 1 1778 . 14 1 1 A 179 179 TYR CB C 392 40.623 41.602 -0.979 1 1 1781 . 14 1 1 A 179 179 TYR N N 392 118.296 121.188 -2.892 1 1 1782 . 14 1 1 A 180 180 ILE H H 393 7.254 8.758 -1.504 1 1 1783 . 14 1 1 A 180 180 ILE HA H 393 4.610 4.338 0.272 1 1 1793 . 14 1 1 A 180 180 ILE C C 393 171.654 173.018 -1.364 1 1 1794 . 14 1 1 A 180 180 ILE CA C 393 56.916 57.347 -0.431 1 1 1795 . 14 1 1 A 180 180 ILE CB C 393 39.736 41.823 -2.087 1 1 1799 . 14 1 1 A 180 180 ILE N N 393 108.609 127.101 -18.492 1 1 1800 . 14 1 1 A 181 181 PRO HA H 394 4.709 4.725 -0.016 1 1 1807 . 14 1 1 A 181 181 PRO C C 394 173.910 176.823 -2.913 1 1 1808 . 14 1 1 A 181 181 PRO CA C 394 62.144 62.613 -0.469 1 1 1809 . 14 1 1 A 181 181 PRO CB C 394 32.527 32.772 -0.245 1 1 1812 . 14 1 1 A 182 182 ASP H H 395 8.296 8.971 -0.675 1 1 1813 . 14 1 1 A 182 182 ASP HA H 395 4.665 4.902 -0.237 1 1 1816 . 14 1 1 A 182 182 ASP C C 395 175.120 175.255 -0.135 1 1 1817 . 14 1 1 A 182 182 ASP CA C 395 52.455 53.897 -1.442 1 1 1818 . 14 1 1 A 182 182 ASP CB C 395 38.742 41.739 -2.997 1 1 1819 . 14 1 1 A 182 182 ASP N N 395 120.042 120.358 -0.316 1 1 1820 . 14 1 1 A 183 183 GLU H H 396 7.651 7.791 -0.140 1 1 1821 . 14 1 1 A 183 183 GLU HA H 396 4.492 4.837 -0.345 1 1 1826 . 14 1 1 A 183 183 GLU C C 396 173.702 175.824 -2.122 1 1 1827 . 14 1 1 A 183 183 GLU CA C 396 54.897 54.686 0.211 1 1 1828 . 14 1 1 A 183 183 GLU CB C 396 32.509 31.381 1.128 1 1 1830 . 14 1 1 A 183 183 GLU N N 396 117.840 118.323 -0.483 1 1 1831 . 14 1 1 A 184 184 ALA H H 397 8.365 8.770 -0.405 1 1 1832 . 14 1 1 A 184 184 ALA HA H 397 4.394 4.692 -0.298 1 1 1836 . 14 1 1 A 184 184 ALA C C 397 175.829 176.693 -0.864 1 1 1837 . 14 1 1 A 184 184 ALA CA C 397 52.770 50.889 1.881 1 1 1838 . 14 1 1 A 184 184 ALA CB C 397 20.682 21.102 -0.420 1 1 1839 . 14 1 1 A 184 184 ALA N N 397 121.613 123.603 -1.990 1 1 1840 . 14 1 1 A 185 185 ASP H H 398 7.245 8.939 -1.694 1 1 1841 . 14 1 1 A 185 185 ASP HA H 398 4.092 4.126 -0.034 1 1 1844 . 14 1 1 A 185 185 ASP C C 398 172.730 174.295 -1.565 1 1 1845 . 14 1 1 A 185 185 ASP CA C 398 56.144 55.316 0.828 1 1 1846 . 14 1 1 A 185 185 ASP CB C 398 39.841 39.176 0.665 1 1 1847 . 14 1 1 A 185 185 ASP N N 398 105.829 115.853 -10.024 1 1 1848 . 14 1 1 A 186 186 PHE H H 399 8.467 7.518 0.949 1 1 1849 . 14 1 1 A 186 186 PHE HA H 399 5.486 5.233 0.253 1 1 1852 . 14 1 1 A 186 186 PHE C C 399 176.218 174.203 2.015 1 1 1853 . 14 1 1 A 186 186 PHE CA C 399 57.959 56.332 1.627 1 1 1854 . 14 1 1 A 186 186 PHE CB C 399 44.529 43.858 0.671 1 1 1855 . 14 1 1 A 186 186 PHE N N 399 116.177 117.977 -1.800 1 1 1856 . 14 1 1 A 187 187 LEU H H 400 8.964 9.047 -0.083 1 1 1857 . 14 1 1 A 187 187 LEU HA H 400 4.963 5.221 -0.258 1 1 1867 . 14 1 1 A 187 187 LEU C C 400 171.747 174.310 -2.563 1 1 1868 . 14 1 1 A 187 187 LEU CA C 400 55.422 54.074 1.348 1 1 1869 . 14 1 1 A 187 187 LEU CB C 400 45.641 45.462 0.179 1 1 1873 . 14 1 1 A 187 187 LEU N N 400 121.383 122.476 -1.093 1 1 1874 . 14 1 1 A 188 188 LEU H H 401 9.312 9.008 0.304 1 1 1875 . 14 1 1 A 188 188 LEU HA H 401 5.580 4.952 0.628 1 1 1885 . 14 1 1 A 188 188 LEU C C 401 173.853 175.384 -1.531 1 1 1886 . 14 1 1 A 188 188 LEU CA C 401 53.421 54.100 -0.679 1 1 1887 . 14 1 1 A 188 188 LEU CB C 401 45.403 44.443 0.960 1 1 1891 . 14 1 1 A 188 188 LEU N N 401 128.151 128.131 0.020 1 1 1892 . 14 1 1 A 189 189 GLY H H 402 9.415 9.099 0.316 1 1 1893 . 14 1 1 A 189 189 GLY HA2 H 402 4.670 4.027 0.643 1 1 1894 . 14 1 1 A 189 189 GLY HA3 H 402 3.663 4.083 -0.420 1 1 1895 . 14 1 1 A 189 189 GLY C C 402 171.014 173.593 -2.579 1 1 1896 . 14 1 1 A 189 189 GLY CA C 402 44.967 47.078 -2.111 1 1 1897 . 14 1 1 A 189 189 GLY N N 402 115.881 114.695 1.186 1 1 1898 . 14 1 1 A 190 190 MET H H 403 8.118 7.286 0.832 1 1 1899 . 14 1 1 A 190 190 MET HA H 403 5.314 4.726 0.588 1 1 1907 . 14 1 1 A 190 190 MET C C 403 173.744 176.161 -2.417 1 1 1908 . 14 1 1 A 190 190 MET CA C 403 53.284 54.946 -1.662 1 1 1909 . 14 1 1 A 190 190 MET CB C 403 36.614 33.888 2.726 1 1 1912 . 14 1 1 A 190 190 MET N N 403 122.165 121.305 0.860 1 1 1934 . 14 1 1 A 203 203 ALA H H 416 8.076 7.324 0.752 1 1 1935 . 14 1 1 A 203 203 ALA HA H 416 4.228 4.417 -0.189 1 1 1939 . 14 1 1 A 203 203 ALA C C 416 176.895 175.259 1.636 1 1 1940 . 14 1 1 A 203 203 ALA CA C 416 52.743 51.056 1.687 1 1 1941 . 14 1 1 A 203 203 ALA CB C 416 18.723 21.928 -3.205 1 1 1942 . 14 1 1 A 203 203 ALA N N 416 119.053 116.270 2.783 1 1 1943 . 14 1 1 A 204 204 GLU H H 417 7.784 8.662 -0.878 1 1 1944 . 14 1 1 A 204 204 GLU HA H 417 4.350 4.440 -0.090 1 1 1949 . 14 1 1 A 204 204 GLU C C 417 175.678 176.063 -0.385 1 1 1950 . 14 1 1 A 204 204 GLU CA C 417 55.650 55.977 -0.327 1 1 1951 . 14 1 1 A 204 204 GLU CB C 417 30.312 28.145 2.167 1 1 1953 . 14 1 1 A 204 204 GLU N N 417 116.458 117.191 -0.733 1 1 1954 . 14 1 1 A 205 205 GLY H H 418 7.910 8.649 -0.739 1 1 1955 . 14 1 1 A 205 205 GLY CA C 418 43.804 44.334 -0.530 1 1 1956 . 14 1 1 A 205 205 GLY N N 418 108.024 110.701 -2.677 1 1 1957 . 14 1 1 A 206 206 THR H H 419 8.364 8.369 -0.005 1 1 1958 . 14 1 1 A 206 206 THR HA H 419 4.316 5.152 -0.836 1 1 1963 . 14 1 1 A 206 206 THR CA C 419 64.682 60.791 3.891 1 1 1964 . 14 1 1 A 206 206 THR CB C 419 69.304 70.191 -0.887 1 1 1966 . 14 1 1 A 206 206 THR N N 419 115.417 114.035 1.382 1 1 1967 . 14 1 1 A 207 207 TRP HA H 420 4.116 6.059 -1.943 1 1 1976 . 14 1 1 A 207 207 TRP CA C 420 61.178 54.939 6.239 1 1 1977 . 14 1 1 A 207 207 TRP CB C 420 28.670 33.126 -4.456 1 1 1984 . 14 1 1 A 209 209 ILE H H 422 6.744 7.894 -1.150 1 1 1985 . 14 1 1 A 209 209 ILE HA H 422 3.349 4.532 -1.183 1 1 1993 . 14 1 1 A 209 209 ILE C C 422 178.143 177.553 0.590 1 1 1994 . 14 1 1 A 209 209 ILE CA C 422 60.865 60.670 0.195 1 1 1995 . 14 1 1 A 209 209 ILE CB C 422 34.371 38.340 -3.969 1 1 1999 . 14 1 1 A 209 209 ILE N N 422 113.211 121.084 -7.873 1 1 2000 . 14 1 1 A 210 210 GLN H H 423 8.252 8.154 0.098 1 1 2001 . 14 1 1 A 210 210 GLN HA H 423 3.548 3.978 -0.430 1 1 2006 . 14 1 1 A 210 210 GLN C C 423 179.079 177.802 1.277 1 1 2007 . 14 1 1 A 210 210 GLN CA C 423 58.795 58.930 -0.135 1 1 2008 . 14 1 1 A 210 210 GLN CB C 423 26.704 28.479 -1.775 1 1 2010 . 14 1 1 A 210 210 GLN N N 423 116.455 123.352 -6.897 1 1 2011 . 14 1 1 A 211 211 SER H H 424 8.162 8.063 0.099 1 1 2012 . 14 1 1 A 211 211 SER HA H 424 3.961 4.537 -0.576 1 1 2015 . 14 1 1 A 211 211 SER C C 424 179.150 175.715 3.435 1 1 2016 . 14 1 1 A 211 211 SER CA C 424 61.850 59.178 2.672 1 1 2017 . 14 1 1 A 211 211 SER CB C 424 62.214 63.901 -1.687 1 1 2018 . 14 1 1 A 211 211 SER N N 424 115.041 115.841 -0.800 1 1 2019 . 14 1 1 A 212 212 LEU H H 425 8.061 8.245 -0.184 1 1 2020 . 14 1 1 A 212 212 LEU HA H 425 3.540 4.121 -0.581 1 1 2030 . 14 1 1 A 212 212 LEU C C 425 177.566 178.460 -0.894 1 1 2031 . 14 1 1 A 212 212 LEU CA C 425 58.548 57.618 0.930 1 1 2032 . 14 1 1 A 212 212 LEU CB C 425 41.665 41.909 -0.244 1 1 2036 . 14 1 1 A 212 212 LEU N N 425 124.082 122.158 1.924 1 1 2037 . 14 1 1 A 213 213 CYS H H 426 7.940 8.180 -0.240 1 1 2038 . 14 1 1 A 213 213 CYS HA H 426 3.628 4.047 -0.419 1 1 2041 . 14 1 1 A 213 213 CYS C C 426 175.741 176.903 -1.162 1 1 2042 . 14 1 1 A 213 213 CYS CA C 426 65.159 62.232 2.927 1 1 2043 . 14 1 1 A 213 213 CYS CB C 426 49.251 27.293 21.958 1 1 2044 . 14 1 1 A 213 213 CYS N N 426 114.351 117.331 -2.980 1 1 2045 . 14 1 1 A 214 214 GLN H H 427 7.510 8.318 -0.808 1 1 2046 . 14 1 1 A 214 214 GLN HA H 427 3.772 4.023 -0.251 1 1 2051 . 14 1 1 A 214 214 GLN C C 427 177.769 177.075 0.694 1 1 2052 . 14 1 1 A 214 214 GLN CA C 427 59.019 58.096 0.923 1 1 2053 . 14 1 1 A 214 214 GLN CB C 427 27.718 27.683 0.035 1 1 2055 . 14 1 1 A 214 214 GLN N N 427 117.399 118.548 -1.149 1 1 2056 . 14 1 1 A 215 215 SER H H 428 7.906 7.919 -0.013 1 1 2057 . 14 1 1 A 215 215 SER HA H 428 4.173 4.258 -0.085 1 1 2060 . 14 1 1 A 215 215 SER CA C 428 62.653 60.729 1.924 1 1 2061 . 14 1 1 A 215 215 SER CB C 428 62.889 63.374 -0.485 1 1 2062 . 14 1 1 A 215 215 SER N N 428 113.799 116.871 -3.072 1 1 2063 . 14 1 1 A 216 216 LEU H H 429 8.505 7.313 1.192 1 1 2064 . 14 1 1 A 216 216 LEU HA H 429 4.156 4.424 -0.268 1 1 2071 . 14 1 1 A 216 216 LEU C C 429 178.848 178.111 0.737 1 1 2072 . 14 1 1 A 216 216 LEU CA C 429 58.053 55.243 2.810 1 1 2073 . 14 1 1 A 216 216 LEU CB C 429 41.222 42.797 -1.575 1 1 2076 . 14 1 1 A 216 216 LEU N N 429 121.357 115.982 5.375 1 1 2077 . 14 1 1 A 217 217 ARG H H 430 7.972 7.964 0.008 1 1 2078 . 14 1 1 A 217 217 ARG HA H 430 3.850 4.194 -0.344 1 1 2085 . 14 1 1 A 217 217 ARG C C 430 178.237 176.082 2.155 1 1 2086 . 14 1 1 A 217 217 ARG CA C 430 59.472 57.228 2.244 1 1 2087 . 14 1 1 A 217 217 ARG CB C 430 30.256 30.745 -0.489 1 1 2090 . 14 1 1 A 217 217 ARG N N 430 116.018 118.504 -2.486 1 1 2091 . 14 1 1 A 218 218 GLU H H 431 7.583 7.475 0.108 1 1 2092 . 14 1 1 A 218 218 GLU HA H 431 4.119 4.471 -0.352 1 1 2096 . 14 1 1 A 218 218 GLU C C 431 178.377 175.501 2.876 1 1 2097 . 14 1 1 A 218 218 GLU CA C 431 58.207 55.019 3.188 1 1 2098 . 14 1 1 A 218 218 GLU CB C 431 30.548 28.266 2.282 1 1 2100 . 14 1 1 A 218 218 GLU N N 431 113.645 118.746 -5.101 1 1 2101 . 14 1 1 A 219 219 ARG H H 432 8.621 8.298 0.323 1 1 2102 . 14 1 1 A 219 219 ARG HA H 432 4.180 3.959 0.221 1 1 2103 . 14 1 1 A 219 219 ARG C C 432 178.455 176.001 2.454 1 1 2104 . 14 1 1 A 219 219 ARG CA C 432 58.428 56.622 1.806 1 1 2105 . 14 1 1 A 219 219 ARG CB C 432 30.936 27.143 3.793 1 1 2107 . 14 1 1 A 219 219 ARG N N 432 114.272 120.286 -6.014 1 1 2108 . 14 1 1 A 220 220 CYS H H 433 8.828 7.728 1.100 1 1 2109 . 14 1 1 A 220 220 CYS HA H 433 4.464 4.191 0.273 1 1 2112 . 14 1 1 A 220 220 CYS C C 433 176.708 175.718 0.990 1 1 2113 . 14 1 1 A 220 220 CYS CA C 433 66.312 63.684 2.628 1 1 2114 . 14 1 1 A 220 220 CYS CB C 433 47.095 25.927 21.168 1 1 2115 . 14 1 1 A 220 220 CYS N N 433 120.012 116.397 3.615 1 1 2116 . 14 1 1 A 221 221 PRO HA H 434 4.463 4.652 -0.189 1 1 2123 . 14 1 1 A 221 221 PRO C C 434 177.064 175.615 1.449 1 1 2124 . 14 1 1 A 221 221 PRO CA C 434 65.717 62.487 3.230 1 1 2125 . 14 1 1 A 221 221 PRO CB C 434 31.169 29.230 1.939 1 1 2128 . 14 1 1 A 222 222 ARG H H 435 6.904 9.094 -2.190 1 1 2129 . 14 1 1 A 222 222 ARG HA H 435 4.331 4.572 -0.241 1 1 2136 . 14 1 1 A 222 222 ARG C C 435 176.536 176.544 -0.008 1 1 2137 . 14 1 1 A 222 222 ARG CA C 435 55.901 56.337 -0.436 1 1 2138 . 14 1 1 A 222 222 ARG CB C 435 30.116 33.209 -3.093 1 1 2141 . 14 1 1 A 222 222 ARG N N 435 112.486 121.727 -9.241 1 1 2142 . 14 1 1 A 223 223 GLY H H 436 8.160 7.601 0.559 1 1 2143 . 14 1 1 A 223 223 GLY HA2 H 436 4.237 4.046 0.191 1 1 2144 . 14 1 1 A 223 223 GLY HA3 H 436 3.643 4.054 -0.411 1 1 2145 . 14 1 1 A 223 223 GLY C C 436 173.338 174.421 -1.083 1 1 2146 . 14 1 1 A 223 223 GLY CA C 436 43.988 45.524 -1.536 1 1 2147 . 14 1 1 A 223 223 GLY N N 436 105.931 105.813 0.118 1 1 2148 . 14 1 1 A 224 224 ASP H H 437 6.891 8.000 -1.109 1 1 2149 . 14 1 1 A 224 224 ASP HA H 437 4.500 4.637 -0.137 1 1 2151 . 14 1 1 A 224 224 ASP C C 437 173.806 175.322 -1.516 1 1 2152 . 14 1 1 A 224 224 ASP CA C 437 54.576 54.130 0.446 1 1 2153 . 14 1 1 A 224 224 ASP CB C 437 40.588 40.414 0.174 1 1 2154 . 14 1 1 A 224 224 ASP N N 437 119.342 121.612 -2.270 1 1 2155 . 14 1 1 A 225 225 ASP H H 438 8.054 8.732 -0.678 1 1 2156 . 14 1 1 A 225 225 ASP HA H 438 4.912 4.760 0.152 1 1 2159 . 14 1 1 A 225 225 ASP C C 438 175.631 176.742 -1.111 1 1 2160 . 14 1 1 A 225 225 ASP CA C 438 52.579 54.469 -1.890 1 1 2161 . 14 1 1 A 225 225 ASP CB C 438 42.616 41.291 1.325 1 1 2162 . 14 1 1 A 225 225 ASP N N 438 117.877 125.683 -7.806 1 1 2163 . 14 1 1 A 226 226 ILE H H 439 9.101 8.762 0.339 1 1 2164 . 14 1 1 A 226 226 ILE HA H 439 3.621 3.965 -0.344 1 1 2174 . 14 1 1 A 226 226 ILE C C 439 176.146 177.016 -0.870 1 1 2175 . 14 1 1 A 226 226 ILE CA C 439 62.602 63.694 -1.092 1 1 2176 . 14 1 1 A 226 226 ILE CB C 439 36.530 38.242 -1.712 1 1 2180 . 14 1 1 A 226 226 ILE N N 439 118.352 122.949 -4.597 1 1 2181 . 14 1 1 A 227 227 LEU H H 440 7.814 7.358 0.456 1 1 2182 . 14 1 1 A 227 227 LEU HA H 440 3.918 3.970 -0.052 1 1 2192 . 14 1 1 A 227 227 LEU C C 440 179.397 177.904 1.493 1 1 2193 . 14 1 1 A 227 227 LEU CA C 440 58.566 57.968 0.598 1 1 2194 . 14 1 1 A 227 227 LEU CB C 440 40.819 41.750 -0.931 1 1 2198 . 14 1 1 A 227 227 LEU N N 440 119.906 122.221 -2.315 1 1 2199 . 14 1 1 A 228 228 THR H H 441 7.665 7.910 -0.245 1 1 2200 . 14 1 1 A 228 228 THR HA H 441 4.289 4.391 -0.102 1 1 2205 . 14 1 1 A 228 228 THR C C 441 179.489 176.491 2.998 1 1 2206 . 14 1 1 A 228 228 THR CA C 441 61.837 64.366 -2.529 1 1 2207 . 14 1 1 A 228 228 THR CB C 441 69.979 69.952 0.027 1 1 2209 . 14 1 1 A 228 228 THR N N 441 120.011 112.537 7.474 1 1 2210 . 14 1 1 A 229 229 ILE H H 442 7.807 7.631 0.176 1 1 2211 . 14 1 1 A 229 229 ILE HA H 442 3.300 3.607 -0.307 1 1 2221 . 14 1 1 A 229 229 ILE C C 442 177.728 178.305 -0.577 1 1 2222 . 14 1 1 A 229 229 ILE CA C 442 66.069 64.815 1.254 1 1 2223 . 14 1 1 A 229 229 ILE CB C 442 38.260 37.193 1.067 1 1 2227 . 14 1 1 A 229 229 ILE N N 442 119.411 121.306 -1.895 1 1 2228 . 14 1 1 A 230 230 LEU H H 443 8.530 7.727 0.803 1 1 2229 . 14 1 1 A 230 230 LEU HA H 443 3.958 4.007 -0.049 1 1 2239 . 14 1 1 A 230 230 LEU C C 443 178.689 178.396 0.293 1 1 2240 . 14 1 1 A 230 230 LEU CA C 443 57.697 58.095 -0.398 1 1 2241 . 14 1 1 A 230 230 LEU CB C 443 42.191 41.661 0.530 1 1 2245 . 14 1 1 A 230 230 LEU N N 443 116.186 122.651 -6.465 1 1 2246 . 14 1 1 A 231 231 THR H H 444 8.008 7.734 0.274 1 1 2247 . 14 1 1 A 231 231 THR HA H 444 4.153 4.400 -0.247 1 1 2252 . 14 1 1 A 231 231 THR C C 444 175.208 176.564 -1.356 1 1 2253 . 14 1 1 A 231 231 THR CA C 444 65.327 63.718 1.609 1 1 2254 . 14 1 1 A 231 231 THR CB C 444 69.718 69.357 0.361 1 1 2256 . 14 1 1 A 231 231 THR N N 444 112.075 112.230 -0.155 1 1 2257 . 14 1 1 A 232 232 GLU H H 445 7.717 8.514 -0.797 1 1 2258 . 14 1 1 A 232 232 GLU HA H 445 4.186 4.132 0.054 1 1 2259 . 14 1 1 A 232 232 GLU C C 445 177.156 178.893 -1.737 1 1 2260 . 14 1 1 A 232 232 GLU CA C 445 57.891 59.603 -1.712 1 1 2261 . 14 1 1 A 232 232 GLU CB C 445 28.836 29.604 -0.768 1 1 2263 . 14 1 1 A 232 232 GLU N N 445 120.074 121.674 -1.600 1 1 2294 . 14 1 1 A 252 252 GLN H H 465 8.586 8.488 0.098 1 1 2295 . 14 1 1 A 252 252 GLN HA H 465 4.689 4.758 -0.069 1 1 2296 . 14 1 1 A 252 252 GLN C C 465 174.446 174.001 0.445 1 1 2297 . 14 1 1 A 252 252 GLN CA C 465 53.682 53.542 0.140 1 1 2298 . 14 1 1 A 252 252 GLN CB C 465 28.537 32.288 -3.751 1 1 2300 . 14 1 1 A 252 252 GLN N N 465 121.782 122.645 -0.863 1 1 2301 . 14 1 1 A 253 253 PRO HA H 466 4.902 4.991 -0.089 1 1 2302 . 14 1 1 A 253 253 PRO C C 466 174.937 176.153 -1.216 1 1 2303 . 14 1 1 A 253 253 PRO CA C 466 63.075 62.901 0.174 1 1 2304 . 14 1 1 A 253 253 PRO CB C 466 32.384 33.446 -1.062 1 1 2307 . 14 1 1 A 254 254 THR H H 467 8.556 8.328 0.228 1 1 2308 . 14 1 1 A 254 254 THR HA H 467 4.659 4.574 0.085 1 1 2313 . 14 1 1 A 254 254 THR C C 467 172.995 174.786 -1.791 1 1 2314 . 14 1 1 A 254 254 THR CA C 467 61.740 61.541 0.199 1 1 2315 . 14 1 1 A 254 254 THR CB C 467 70.195 70.248 -0.053 1 1 2317 . 14 1 1 A 254 254 THR N N 467 115.754 108.264 7.490 1 1 2318 . 14 1 1 A 255 255 PHE H H 468 8.560 7.756 0.804 1 1 2319 . 14 1 1 A 255 255 PHE HA H 468 5.502 4.474 1.028 1 1 2322 . 14 1 1 A 255 255 PHE C C 468 173.198 175.886 -2.688 1 1 2323 . 14 1 1 A 255 255 PHE CA C 468 56.283 56.749 -0.466 1 1 2324 . 14 1 1 A 255 255 PHE CB C 468 43.426 39.946 3.480 1 1 2325 . 14 1 1 A 255 255 PHE N N 468 120.481 123.217 -2.736 1 1 2326 . 14 1 1 A 256 256 THR H H 469 9.702 8.780 0.922 1 1 2327 . 14 1 1 A 256 256 THR HA H 469 4.662 4.647 0.015 1 1 2332 . 14 1 1 A 256 256 THR C C 469 176.561 174.484 2.077 1 1 2333 . 14 1 1 A 256 256 THR CA C 469 59.948 61.160 -1.212 1 1 2334 . 14 1 1 A 256 256 THR CB C 469 69.145 70.037 -0.892 1 1 2336 . 14 1 1 A 256 256 THR N N 469 108.601 111.665 -3.064 1 1 2337 . 14 1 1 A 257 257 LEU H H 470 7.235 7.775 -0.540 1 1 2338 . 14 1 1 A 257 257 LEU HA H 470 4.401 4.245 0.156 1 1 2348 . 14 1 1 A 257 257 LEU C C 470 175.975 176.875 -0.900 1 1 2349 . 14 1 1 A 257 257 LEU CA C 470 55.492 54.906 0.586 1 1 2350 . 14 1 1 A 257 257 LEU CB C 470 41.850 42.055 -0.205 1 1 2354 . 14 1 1 A 257 257 LEU N N 470 120.802 125.275 -4.473 1 1 2355 . 14 1 1 A 258 258 ARG H H 471 8.228 8.873 -0.645 1 1 2356 . 14 1 1 A 258 258 ARG HA H 471 4.631 4.479 0.152 1 1 2363 . 14 1 1 A 258 258 ARG C C 471 174.114 176.293 -2.179 1 1 2364 . 14 1 1 A 258 258 ARG CA C 471 55.071 56.541 -1.470 1 1 2365 . 14 1 1 A 258 258 ARG CB C 471 32.470 30.726 1.744 1 1 2368 . 14 1 1 A 258 258 ARG N N 471 118.883 124.521 -5.638 1 1 2369 . 14 1 1 A 259 259 LYS H H 472 7.217 7.833 -0.616 1 1 2370 . 14 1 1 A 259 259 LYS HA H 472 4.260 4.674 -0.414 1 1 2379 . 14 1 1 A 259 259 LYS C C 472 174.571 175.476 -0.905 1 1 2380 . 14 1 1 A 259 259 LYS CA C 472 53.269 54.473 -1.204 1 1 2381 . 14 1 1 A 259 259 LYS CB C 472 36.332 34.043 2.289 1 1 2385 . 14 1 1 A 259 259 LYS N N 472 116.031 118.706 -2.675 1 1 2386 . 14 1 1 A 260 260 LYS H H 473 8.357 8.414 -0.057 1 1 2387 . 14 1 1 A 260 260 LYS HA H 473 4.297 4.518 -0.221 1 1 2396 . 14 1 1 A 260 260 LYS C C 473 174.137 175.147 -1.010 1 1 2397 . 14 1 1 A 260 260 LYS CA C 473 57.258 55.696 1.562 1 1 2398 . 14 1 1 A 260 260 LYS CB C 473 33.561 32.831 0.730 1 1 2402 . 14 1 1 A 260 260 LYS N N 473 119.377 122.667 -3.290 1 1 2403 . 14 1 1 A 261 261 LEU H H 474 9.288 8.776 0.512 1 1 2404 . 14 1 1 A 261 261 LEU HA H 474 5.048 4.930 0.118 1 1 2414 . 14 1 1 A 261 261 LEU C C 474 172.558 175.203 -2.645 1 1 2415 . 14 1 1 A 261 261 LEU CA C 474 53.327 54.191 -0.864 1 1 2416 . 14 1 1 A 261 261 LEU CB C 474 44.313 42.655 1.658 1 1 2420 . 14 1 1 A 261 261 LEU N N 474 126.482 129.197 -2.715 1 1 2421 . 14 1 1 A 262 262 VAL H H 475 8.876 9.000 -0.124 1 1 2422 . 14 1 1 A 262 262 VAL HA H 475 4.238 4.900 -0.662 1 1 2430 . 14 1 1 A 262 262 VAL C C 475 174.243 174.643 -0.400 1 1 2431 . 14 1 1 A 262 262 VAL CA C 475 59.734 60.729 -0.995 1 1 2432 . 14 1 1 A 262 262 VAL CB C 475 34.790 35.742 -0.952 1 1 2435 . 14 1 1 A 262 262 VAL N N 475 124.316 127.274 -2.958 1 1 2436 . 14 1 1 A 263 263 PHE H H 476 8.826 8.747 0.079 1 1 2437 . 14 1 1 A 263 263 PHE HA H 476 5.518 5.344 0.174 1 1 2443 . 14 1 1 A 263 263 PHE C C 476 171.887 173.333 -1.446 1 1 2444 . 14 1 1 A 263 263 PHE CA C 476 52.082 55.011 -2.929 1 1 2445 . 14 1 1 A 263 263 PHE CB C 476 39.792 39.642 0.150 1 1 2449 . 14 1 1 A 263 263 PHE N N 476 122.867 125.538 -2.671 1 1 2450 . 14 1 1 A 264 264 PRO HA H 477 4.649 4.807 -0.158 1 1 2457 . 14 1 1 A 264 264 PRO C C 477 178.322 175.592 2.730 1 1 2458 . 14 1 1 A 264 264 PRO CA C 477 62.333 62.837 -0.504 1 1 2459 . 14 1 1 A 264 264 PRO CB C 477 32.553 33.822 -1.269 1 1 2462 . 14 1 1 A 265 265 SER H H 478 8.763 8.284 0.479 1 1 2463 . 14 1 1 A 265 265 SER HA H 478 4.494 4.504 -0.010 1 1 2466 . 14 1 1 A 265 265 SER C C 478 173.725 175.310 -1.585 1 1 2467 . 14 1 1 A 265 265 SER CA C 478 59.060 58.388 0.672 1 1 2468 . 14 1 1 A 265 265 SER CB C 478 64.038 64.024 0.014 1 1 2469 . 14 1 1 A 265 265 SER N N 478 116.725 112.724 4.001 1 1 17 . 15 1 1 A 12 12 VAL H H 225 7.819 8.333 -0.514 1 1 18 . 15 1 1 A 12 12 VAL HA H 225 4.946 3.758 1.188 1 1 26 . 15 1 1 A 12 12 VAL C C 225 175.898 176.116 -0.218 1 1 27 . 15 1 1 A 12 12 VAL CA C 225 59.650 62.514 -2.864 1 1 28 . 15 1 1 A 12 12 VAL CB C 225 35.296 31.561 3.735 1 1 31 . 15 1 1 A 12 12 VAL N N 225 117.637 123.023 -5.386 1 1 32 . 15 1 1 A 13 13 TYR H H 226 8.318 8.418 -0.100 1 1 33 . 15 1 1 A 13 13 TYR HA H 226 4.291 4.107 0.184 1 1 36 . 15 1 1 A 13 13 TYR C C 226 176.911 175.133 1.778 1 1 37 . 15 1 1 A 13 13 TYR CA C 226 60.063 58.917 1.146 1 1 38 . 15 1 1 A 13 13 TYR CB C 226 37.843 35.705 2.138 1 1 39 . 15 1 1 A 13 13 TYR N N 226 122.976 122.089 0.887 1 1 40 . 15 1 1 A 14 14 GLN H H 227 9.128 7.916 1.212 1 1 41 . 15 1 1 A 14 14 GLN HA H 227 3.996 4.531 -0.535 1 1 46 . 15 1 1 A 14 14 GLN C C 227 175.052 176.546 -1.494 1 1 47 . 15 1 1 A 14 14 GLN CA C 227 57.421 55.268 2.153 1 1 48 . 15 1 1 A 14 14 GLN CB C 227 29.550 28.979 0.571 1 1 50 . 15 1 1 A 14 14 GLN N N 227 124.676 118.447 6.229 1 1 51 . 15 1 1 A 15 15 MET H H 228 8.465 8.307 0.158 1 1 52 . 15 1 1 A 15 15 MET HA H 228 5.210 4.306 0.904 1 1 60 . 15 1 1 A 15 15 MET C C 228 172.979 176.888 -3.909 1 1 61 . 15 1 1 A 15 15 MET CA C 228 52.955 56.569 -3.614 1 1 62 . 15 1 1 A 15 15 MET CB C 228 30.751 31.470 -0.719 1 1 65 . 15 1 1 A 15 15 MET N N 228 128.835 117.863 10.972 1 1 66 . 15 1 1 A 16 16 LYS H H 229 9.119 8.549 0.570 1 1 67 . 15 1 1 A 16 16 LYS HA H 229 4.558 4.230 0.328 1 1 76 . 15 1 1 A 16 16 LYS C C 229 176.209 176.870 -0.661 1 1 77 . 15 1 1 A 16 16 LYS CA C 229 55.916 58.806 -2.890 1 1 78 . 15 1 1 A 16 16 LYS CB C 229 35.555 32.072 3.483 1 1 82 . 15 1 1 A 16 16 LYS N N 229 120.235 119.609 0.626 1 1 83 . 15 1 1 A 17 17 SER H H 230 9.101 7.406 1.695 1 1 84 . 15 1 1 A 17 17 SER HA H 230 4.077 4.601 -0.524 1 1 87 . 15 1 1 A 17 17 SER C C 230 172.995 174.888 -1.893 1 1 88 . 15 1 1 A 17 17 SER CA C 230 59.615 58.310 1.305 1 1 89 . 15 1 1 A 17 17 SER CB C 230 64.482 61.776 2.706 1 1 90 . 15 1 1 A 17 17 SER N N 230 121.500 115.619 5.881 1 1 91 . 15 1 1 A 18 18 LYS H H 231 8.120 8.332 -0.212 1 1 92 . 15 1 1 A 18 18 LYS HA H 231 4.373 4.008 0.365 1 1 101 . 15 1 1 A 18 18 LYS C C 231 173.565 176.521 -2.956 1 1 102 . 15 1 1 A 18 18 LYS CA C 231 53.231 57.159 -3.928 1 1 103 . 15 1 1 A 18 18 LYS CB C 231 34.596 30.939 3.657 1 1 107 . 15 1 1 A 18 18 LYS N N 231 120.561 124.293 -3.732 1 1 108 . 15 1 1 A 19 19 PRO HA H 232 4.898 4.487 0.411 1 1 115 . 15 1 1 A 19 19 PRO C C 232 176.162 176.865 -0.703 1 1 116 . 15 1 1 A 19 19 PRO CA C 232 62.838 66.053 -3.215 1 1 117 . 15 1 1 A 19 19 PRO CB C 232 34.997 31.472 3.525 1 1 120 . 15 1 1 A 20 20 ARG H H 233 8.782 8.104 0.678 1 1 121 . 15 1 1 A 20 20 ARG HA H 233 3.651 4.100 -0.449 1 1 122 . 15 1 1 A 20 20 ARG C C 233 175.210 175.870 -0.660 1 1 123 . 15 1 1 A 20 20 ARG CA C 233 56.621 57.703 -1.082 1 1 124 . 15 1 1 A 20 20 ARG CB C 233 30.581 27.173 3.408 1 1 127 . 15 1 1 A 20 20 ARG N N 233 118.785 117.061 1.724 1 1 128 . 15 1 1 A 21 21 GLY H H 234 6.490 7.995 -1.505 1 1 129 . 15 1 1 A 21 21 GLY HA2 H 234 4.312 3.887 0.425 1 1 130 . 15 1 1 A 21 21 GLY HA3 H 234 4.662 3.993 0.669 1 1 131 . 15 1 1 A 21 21 GLY C C 234 172.012 173.279 -1.267 1 1 132 . 15 1 1 A 21 21 GLY CA C 234 43.743 46.558 -2.815 1 1 133 . 15 1 1 A 21 21 GLY N N 234 128.529 106.626 21.903 1 1 134 . 15 1 1 A 22 22 TYR H H 235 9.327 8.853 0.474 1 1 135 . 15 1 1 A 22 22 TYR HA H 235 5.260 4.760 0.500 1 1 140 . 15 1 1 A 22 22 TYR C C 235 173.931 175.331 -1.400 1 1 141 . 15 1 1 A 22 22 TYR CA C 235 58.287 57.677 0.610 1 1 142 . 15 1 1 A 22 22 TYR CB C 235 39.762 38.151 1.611 1 1 145 . 15 1 1 A 22 22 TYR N N 235 119.429 126.125 -6.696 1 1 146 . 15 1 1 A 23 23 CYS H H 236 8.665 7.833 0.832 1 1 147 . 15 1 1 A 23 23 CYS HA H 236 4.928 4.382 0.546 1 1 148 . 15 1 1 A 23 23 CYS C C 236 172.970 174.232 -1.262 1 1 149 . 15 1 1 A 23 23 CYS CA C 236 55.636 58.878 -3.242 1 1 150 . 15 1 1 A 23 23 CYS CB C 236 50.040 28.120 21.920 1 1 151 . 15 1 1 A 23 23 CYS N N 236 120.485 124.444 -3.959 1 1 152 . 15 1 1 A 24 24 LEU H H 237 8.619 8.638 -0.019 1 1 153 . 15 1 1 A 24 24 LEU HA H 237 4.691 4.843 -0.152 1 1 163 . 15 1 1 A 24 24 LEU C C 237 175.850 175.478 0.372 1 1 164 . 15 1 1 A 24 24 LEU CA C 237 54.053 53.917 0.136 1 1 165 . 15 1 1 A 24 24 LEU CB C 237 44.117 42.527 1.590 1 1 169 . 15 1 1 A 24 24 LEU N N 237 129.465 123.651 5.814 1 1 170 . 15 1 1 A 25 25 ILE H H 238 8.304 9.118 -0.814 1 1 171 . 15 1 1 A 25 25 ILE HA H 238 4.639 4.699 -0.060 1 1 179 . 15 1 1 A 25 25 ILE C C 238 174.032 174.695 -0.663 1 1 180 . 15 1 1 A 25 25 ILE CA C 238 60.879 60.943 -0.064 1 1 181 . 15 1 1 A 25 25 ILE CB C 238 41.165 39.041 2.124 1 1 185 . 15 1 1 A 25 25 ILE N N 238 122.597 125.536 -2.939 1 1 186 . 15 1 1 A 26 26 ILE H H 239 9.025 8.863 0.162 1 1 187 . 15 1 1 A 26 26 ILE HA H 239 4.778 4.585 0.193 1 1 197 . 15 1 1 A 26 26 ILE C C 239 173.104 175.257 -2.153 1 1 198 . 15 1 1 A 26 26 ILE CA C 239 60.733 60.700 0.033 1 1 199 . 15 1 1 A 26 26 ILE CB C 239 38.237 36.837 1.400 1 1 203 . 15 1 1 A 26 26 ILE N N 239 129.303 128.893 0.410 1 1 204 . 15 1 1 A 27 27 ASN H H 240 8.957 8.680 0.277 1 1 205 . 15 1 1 A 27 27 ASN HA H 240 5.174 5.128 0.046 1 1 208 . 15 1 1 A 27 27 ASN C C 240 172.948 174.152 -1.204 1 1 209 . 15 1 1 A 27 27 ASN CA C 240 52.055 53.318 -1.263 1 1 210 . 15 1 1 A 27 27 ASN CB C 240 40.530 38.973 1.557 1 1 211 . 15 1 1 A 27 27 ASN N N 240 125.494 126.470 -0.976 1 1 212 . 15 1 1 A 28 28 ASN H H 241 9.118 8.826 0.292 1 1 213 . 15 1 1 A 28 28 ASN HA H 241 5.106 5.219 -0.113 1 1 216 . 15 1 1 A 28 28 ASN C C 241 172.184 175.284 -3.100 1 1 217 . 15 1 1 A 28 28 ASN CA C 241 52.599 51.889 0.710 1 1 218 . 15 1 1 A 28 28 ASN CB C 241 38.296 39.435 -1.139 1 1 219 . 15 1 1 A 28 28 ASN N N 241 125.089 124.272 0.817 1 1 220 . 15 1 1 A 29 29 HIS H H 242 9.512 9.274 0.238 1 1 221 . 15 1 1 A 29 29 HIS HA H 242 4.384 4.674 -0.290 1 1 224 . 15 1 1 A 29 29 HIS C C 242 173.519 175.686 -2.167 1 1 225 . 15 1 1 A 29 29 HIS CA C 242 59.174 58.286 0.888 1 1 226 . 15 1 1 A 29 29 HIS CB C 242 28.022 30.992 -2.970 1 1 227 . 15 1 1 A 29 29 HIS N N 242 125.634 126.148 -0.514 1 1 228 . 15 1 1 A 30 30 ASN H H 243 8.623 8.224 0.399 1 1 229 . 15 1 1 A 30 30 ASN HA H 243 4.148 4.344 -0.196 1 1 234 . 15 1 1 A 30 30 ASN C C 243 175.052 176.095 -1.043 1 1 235 . 15 1 1 A 30 30 ASN CA C 243 53.229 54.167 -0.938 1 1 236 . 15 1 1 A 30 30 ASN CB C 243 38.980 38.854 0.126 1 1 237 . 15 1 1 A 30 30 ASN N N 243 119.059 116.207 2.852 1 1 239 . 15 1 1 A 31 31 PHE H H 244 8.676 8.449 0.227 1 1 240 . 15 1 1 A 31 31 PHE HA H 244 4.686 4.855 -0.169 1 1 243 . 15 1 1 A 31 31 PHE C C 244 174.399 176.496 -2.097 1 1 244 . 15 1 1 A 31 31 PHE CA C 244 57.688 56.858 0.830 1 1 245 . 15 1 1 A 31 31 PHE CB C 244 39.026 39.921 -0.895 1 1 246 . 15 1 1 A 31 31 PHE N N 244 124.091 118.838 5.253 1 1 247 . 15 1 1 A 32 32 ALA H H 245 8.244 7.719 0.525 1 1 248 . 15 1 1 A 32 32 ALA HA H 245 3.869 3.601 0.268 1 1 252 . 15 1 1 A 32 32 ALA C C 245 180.452 178.862 1.590 1 1 253 . 15 1 1 A 32 32 ALA CA C 245 56.274 55.168 1.106 1 1 254 . 15 1 1 A 32 32 ALA CB C 245 18.181 18.737 -0.556 1 1 255 . 15 1 1 A 32 32 ALA N N 245 122.713 123.865 -1.152 1 1 256 . 15 1 1 A 33 33 LYS H H 246 8.964 7.386 1.578 1 1 257 . 15 1 1 A 33 33 LYS HA H 246 4.089 4.448 -0.359 1 1 266 . 15 1 1 A 33 33 LYS C C 246 177.441 177.792 -0.351 1 1 267 . 15 1 1 A 33 33 LYS CA C 246 58.632 55.878 2.754 1 1 268 . 15 1 1 A 33 33 LYS CB C 246 30.418 33.308 -2.890 1 1 272 . 15 1 1 A 33 33 LYS N N 246 116.888 115.141 1.747 1 1 273 . 15 1 1 A 34 34 ALA H H 247 7.088 8.004 -0.916 1 1 274 . 15 1 1 A 34 34 ALA HA H 247 3.752 4.130 -0.378 1 1 278 . 15 1 1 A 34 34 ALA C C 247 177.581 179.707 -2.126 1 1 279 . 15 1 1 A 34 34 ALA CA C 247 55.502 54.391 1.111 1 1 280 . 15 1 1 A 34 34 ALA CB C 247 18.099 18.651 -0.552 1 1 281 . 15 1 1 A 34 34 ALA N N 247 122.047 122.018 0.029 1 1 282 . 15 1 1 A 35 35 ARG H H 248 7.706 8.351 -0.645 1 1 283 . 15 1 1 A 35 35 ARG HA H 248 4.338 4.043 0.295 1 1 292 . 15 1 1 A 35 35 ARG C C 248 179.094 177.865 1.229 1 1 293 . 15 1 1 A 35 35 ARG CA C 248 56.283 58.694 -2.411 1 1 294 . 15 1 1 A 35 35 ARG CB C 248 30.668 29.873 0.795 1 1 297 . 15 1 1 A 35 35 ARG N N 248 112.008 117.139 -5.131 1 1 299 . 15 1 1 A 36 36 GLU H H 249 7.707 7.845 -0.138 1 1 300 . 15 1 1 A 36 36 GLU HA H 249 4.121 4.433 -0.312 1 1 305 . 15 1 1 A 36 36 GLU C C 249 178.205 178.813 -0.608 1 1 306 . 15 1 1 A 36 36 GLU CA C 249 58.194 58.276 -0.082 1 1 307 . 15 1 1 A 36 36 GLU CB C 249 30.596 30.456 0.140 1 1 309 . 15 1 1 A 36 36 GLU N N 249 116.945 120.023 -3.078 1 1 310 . 15 1 1 A 37 37 LYS H H 250 7.954 7.522 0.432 1 1 311 . 15 1 1 A 37 37 LYS HA H 250 4.381 4.140 0.241 1 1 320 . 15 1 1 A 37 37 LYS C C 250 176.772 176.690 0.082 1 1 321 . 15 1 1 A 37 37 LYS CA C 250 57.323 58.904 -1.581 1 1 322 . 15 1 1 A 37 37 LYS CB C 250 34.892 32.670 2.222 1 1 326 . 15 1 1 A 37 37 LYS N N 250 114.798 120.129 -5.331 1 1 327 . 15 1 1 A 38 38 VAL H H 251 8.298 8.252 0.046 1 1 328 . 15 1 1 A 38 38 VAL HA H 251 4.582 4.663 -0.081 1 1 336 . 15 1 1 A 38 38 VAL C C 251 174.903 174.294 0.609 1 1 337 . 15 1 1 A 38 38 VAL CA C 251 60.316 58.911 1.405 1 1 338 . 15 1 1 A 38 38 VAL CB C 251 32.374 31.933 0.441 1 1 341 . 15 1 1 A 38 38 VAL N N 251 120.907 119.608 1.299 1 1 342 . 15 1 1 A 40 40 LYS H H 253 8.588 8.152 0.436 1 1 343 . 15 1 1 A 40 40 LYS HA H 253 4.275 4.089 0.186 1 1 352 . 15 1 1 A 40 40 LYS C C 253 176.447 177.914 -1.467 1 1 353 . 15 1 1 A 40 40 LYS CA C 253 58.550 59.372 -0.822 1 1 354 . 15 1 1 A 40 40 LYS CB C 253 31.568 31.901 -0.333 1 1 358 . 15 1 1 A 40 40 LYS N N 253 113.861 118.674 -4.813 1 1 359 . 15 1 1 A 41 41 LEU H H 254 7.948 7.748 0.200 1 1 360 . 15 1 1 A 41 41 LEU HA H 254 4.391 4.202 0.189 1 1 370 . 15 1 1 A 41 41 LEU C C 254 175.989 177.762 -1.773 1 1 371 . 15 1 1 A 41 41 LEU CA C 254 53.279 55.040 -1.761 1 1 372 . 15 1 1 A 41 41 LEU CB C 254 40.369 41.128 -0.759 1 1 376 . 15 1 1 A 41 41 LEU N N 254 118.998 118.785 0.213 1 1 377 . 15 1 1 A 42 42 HIS H H 255 7.167 7.790 -0.623 1 1 378 . 15 1 1 A 42 42 HIS HA H 255 4.376 4.366 0.010 1 1 382 . 15 1 1 A 42 42 HIS C C 255 174.836 177.463 -2.627 1 1 383 . 15 1 1 A 42 42 HIS CA C 255 59.188 58.760 0.428 1 1 384 . 15 1 1 A 42 42 HIS CB C 255 30.311 30.647 -0.336 1 1 386 . 15 1 1 A 42 42 HIS N N 255 116.251 118.161 -1.910 1 1 387 . 15 1 1 A 43 43 SER H H 256 7.735 7.830 -0.095 1 1 388 . 15 1 1 A 43 43 SER HA H 256 4.490 4.263 0.227 1 1 391 . 15 1 1 A 43 43 SER C C 256 174.045 174.079 -0.034 1 1 392 . 15 1 1 A 43 43 SER CA C 256 56.420 60.602 -4.182 1 1 393 . 15 1 1 A 43 43 SER CB C 256 64.093 63.696 0.397 1 1 394 . 15 1 1 A 43 43 SER N N 256 110.725 113.896 -3.171 1 1 395 . 15 1 1 A 44 44 ILE H H 257 7.403 7.274 0.129 1 1 396 . 15 1 1 A 44 44 ILE HA H 257 3.806 4.184 -0.378 1 1 406 . 15 1 1 A 44 44 ILE C C 257 174.321 175.578 -1.257 1 1 407 . 15 1 1 A 44 44 ILE CA C 257 61.640 60.880 0.760 1 1 408 . 15 1 1 A 44 44 ILE CB C 257 38.324 38.904 -0.580 1 1 412 . 15 1 1 A 44 44 ILE N N 257 124.717 118.045 6.672 1 1 413 . 15 1 1 A 45 45 ARG H H 258 8.043 8.434 -0.391 1 1 414 . 15 1 1 A 45 45 ARG HA H 258 4.201 4.188 0.013 1 1 421 . 15 1 1 A 45 45 ARG C C 258 177.535 177.517 0.018 1 1 422 . 15 1 1 A 45 45 ARG CA C 258 55.412 56.620 -1.208 1 1 423 . 15 1 1 A 45 45 ARG CB C 258 31.546 30.421 1.125 1 1 426 . 15 1 1 A 45 45 ARG N N 258 124.319 124.070 0.249 1 1 427 . 15 1 1 A 46 46 ASP H H 259 8.584 8.806 -0.222 1 1 428 . 15 1 1 A 46 46 ASP HA H 259 5.096 4.370 0.726 1 1 431 . 15 1 1 A 46 46 ASP C C 259 177.819 176.086 1.733 1 1 432 . 15 1 1 A 46 46 ASP CA C 259 55.248 55.972 -0.724 1 1 433 . 15 1 1 A 46 46 ASP CB C 259 39.614 40.440 -0.826 1 1 434 . 15 1 1 A 46 46 ASP N N 259 120.371 124.708 -4.337 1 1 435 . 15 1 1 A 47 47 ARG H H 260 8.632 7.474 1.158 1 1 442 . 15 1 1 A 47 47 ARG CA C 260 56.228 56.601 -0.373 1 1 443 . 15 1 1 A 47 47 ARG CB C 260 26.981 30.959 -3.978 1 1 445 . 15 1 1 A 47 47 ARG N N 260 123.120 119.917 3.203 1 1 447 . 15 1 1 A 51 51 HIS HA H 264 4.293 4.186 0.107 1 1 451 . 15 1 1 A 51 51 HIS C C 264 178.002 175.089 2.913 1 1 452 . 15 1 1 A 51 51 HIS CA C 264 60.062 57.190 2.872 1 1 453 . 15 1 1 A 51 51 HIS CB C 264 29.109 27.610 1.499 1 1 455 . 15 1 1 A 52 52 LEU H H 265 7.474 7.795 -0.321 1 1 456 . 15 1 1 A 52 52 LEU HA H 265 4.125 4.047 0.078 1 1 466 . 15 1 1 A 52 52 LEU C C 265 180.623 178.694 1.929 1 1 467 . 15 1 1 A 52 52 LEU CA C 265 56.921 57.669 -0.748 1 1 468 . 15 1 1 A 52 52 LEU CB C 265 40.572 42.159 -1.587 1 1 472 . 15 1 1 A 52 52 LEU N N 265 122.692 121.301 1.391 1 1 473 . 15 1 1 A 53 53 ASP H H 266 6.993 8.219 -1.226 1 1 474 . 15 1 1 A 53 53 ASP C C 266 176.536 178.373 -1.837 1 1 475 . 15 1 1 A 53 53 ASP CA C 266 56.718 56.967 -0.249 1 1 476 . 15 1 1 A 53 53 ASP CB C 266 39.787 40.203 -0.416 1 1 477 . 15 1 1 A 53 53 ASP N N 266 122.192 118.971 3.221 1 1 478 . 15 1 1 A 54 54 ALA H H 267 8.217 8.153 0.064 1 1 479 . 15 1 1 A 54 54 ALA HA H 267 3.840 4.110 -0.270 1 1 483 . 15 1 1 A 54 54 ALA C C 267 180.507 180.129 0.378 1 1 484 . 15 1 1 A 54 54 ALA CA C 267 55.836 55.029 0.807 1 1 485 . 15 1 1 A 54 54 ALA CB C 267 17.386 18.406 -1.020 1 1 486 . 15 1 1 A 54 54 ALA N N 267 121.612 123.310 -1.698 1 1 487 . 15 1 1 A 55 55 GLY H H 268 8.481 8.287 0.194 1 1 488 . 15 1 1 A 55 55 GLY C C 268 174.929 176.222 -1.293 1 1 489 . 15 1 1 A 55 55 GLY CA C 268 46.546 46.653 -0.107 1 1 490 . 15 1 1 A 55 55 GLY N N 268 107.453 105.285 2.168 1 1 491 . 15 1 1 A 56 56 ALA H H 269 7.759 8.083 -0.324 1 1 492 . 15 1 1 A 56 56 ALA HA H 269 4.190 4.017 0.173 1 1 496 . 15 1 1 A 56 56 ALA C C 269 180.493 180.017 0.476 1 1 497 . 15 1 1 A 56 56 ALA CA C 269 55.311 54.774 0.537 1 1 498 . 15 1 1 A 56 56 ALA CB C 269 17.951 18.236 -0.285 1 1 499 . 15 1 1 A 56 56 ALA N N 269 125.518 124.896 0.622 1 1 500 . 15 1 1 A 57 57 LEU H H 270 8.224 7.868 0.356 1 1 501 . 15 1 1 A 57 57 LEU HA H 270 3.840 4.106 -0.266 1 1 506 . 15 1 1 A 57 57 LEU C C 270 177.499 179.677 -2.178 1 1 507 . 15 1 1 A 57 57 LEU CA C 270 58.315 57.875 0.440 1 1 508 . 15 1 1 A 57 57 LEU CB C 270 43.182 41.868 1.314 1 1 511 . 15 1 1 A 57 57 LEU N N 270 121.610 118.492 3.118 1 1 512 . 15 1 1 A 58 58 THR H H 271 7.976 8.339 -0.363 1 1 513 . 15 1 1 A 58 58 THR HA H 271 4.432 4.141 0.291 1 1 518 . 15 1 1 A 58 58 THR C C 271 174.457 176.771 -2.314 1 1 519 . 15 1 1 A 58 58 THR CA C 271 68.788 66.689 2.099 1 1 520 . 15 1 1 A 58 58 THR CB C 271 67.557 68.814 -1.257 1 1 522 . 15 1 1 A 58 58 THR N N 271 115.528 115.620 -0.092 1 1 523 . 15 1 1 A 59 59 THR H H 272 8.085 8.575 -0.490 1 1 524 . 15 1 1 A 59 59 THR HA H 272 3.911 4.077 -0.166 1 1 529 . 15 1 1 A 59 59 THR C C 272 176.131 176.383 -0.252 1 1 530 . 15 1 1 A 59 59 THR CA C 272 65.908 64.685 1.223 1 1 531 . 15 1 1 A 59 59 THR CB C 272 69.045 68.664 0.381 1 1 533 . 15 1 1 A 59 59 THR N N 272 114.864 113.929 0.935 1 1 534 . 15 1 1 A 60 60 THR H H 273 7.875 7.986 -0.111 1 1 535 . 15 1 1 A 60 60 THR HA H 273 3.423 3.773 -0.350 1 1 540 . 15 1 1 A 60 60 THR C C 273 175.166 175.570 -0.404 1 1 541 . 15 1 1 A 60 60 THR CA C 273 67.291 66.586 0.705 1 1 542 . 15 1 1 A 60 60 THR CB C 273 68.824 68.333 0.491 1 1 544 . 15 1 1 A 60 60 THR N N 273 116.718 115.998 0.720 1 1 545 . 15 1 1 A 61 61 PHE H H 274 8.219 7.661 0.558 1 1 546 . 15 1 1 A 61 61 PHE HA H 274 4.213 4.631 -0.418 1 1 552 . 15 1 1 A 61 61 PHE C C 274 178.034 177.789 0.245 1 1 553 . 15 1 1 A 61 61 PHE CA C 274 63.308 61.156 2.152 1 1 554 . 15 1 1 A 61 61 PHE CB C 274 37.080 40.393 -3.313 1 1 558 . 15 1 1 A 61 61 PHE N N 274 114.721 117.451 -2.730 1 1 559 . 15 1 1 A 62 62 GLU H H 275 8.810 8.715 0.095 1 1 560 . 15 1 1 A 62 62 GLU HA H 275 4.416 3.943 0.473 1 1 565 . 15 1 1 A 62 62 GLU C C 275 181.232 179.220 2.012 1 1 566 . 15 1 1 A 62 62 GLU CA C 275 60.190 59.974 0.216 1 1 567 . 15 1 1 A 62 62 GLU CB C 275 28.990 29.094 -0.104 1 1 569 . 15 1 1 A 62 62 GLU N N 275 123.787 120.605 3.182 1 1 570 . 15 1 1 A 63 63 GLU H H 276 7.698 8.624 -0.926 1 1 571 . 15 1 1 A 63 63 GLU HA H 276 3.871 4.045 -0.174 1 1 575 . 15 1 1 A 63 63 GLU C C 276 176.721 176.889 -0.168 1 1 576 . 15 1 1 A 63 63 GLU CA C 276 58.821 58.557 0.264 1 1 577 . 15 1 1 A 63 63 GLU CB C 276 29.251 28.306 0.945 1 1 579 . 15 1 1 A 63 63 GLU N N 276 120.707 118.176 2.531 1 1 580 . 15 1 1 A 64 64 LEU H H 277 6.708 7.405 -0.697 1 1 581 . 15 1 1 A 64 64 LEU HA H 277 4.148 4.176 -0.028 1 1 589 . 15 1 1 A 64 64 LEU C C 277 174.571 175.612 -1.041 1 1 590 . 15 1 1 A 64 64 LEU CA C 277 54.060 54.248 -0.188 1 1 594 . 15 1 1 A 64 64 LEU N N 277 115.451 118.151 -2.700 1 1 595 . 15 1 1 A 65 65 HIS H H 278 7.388 7.820 -0.432 1 1 596 . 15 1 1 A 65 65 HIS HA H 278 4.259 4.084 0.175 1 1 599 . 15 1 1 A 65 65 HIS C C 278 174.571 173.619 0.952 1 1 600 . 15 1 1 A 65 65 HIS CA C 278 57.737 56.668 1.069 1 1 601 . 15 1 1 A 65 65 HIS CB C 278 26.020 26.589 -0.569 1 1 602 . 15 1 1 A 65 65 HIS N N 278 107.287 115.247 -7.960 1 1 603 . 15 1 1 A 66 66 PHE H H 279 8.554 7.565 0.989 1 1 604 . 15 1 1 A 66 66 PHE HA H 279 4.462 5.060 -0.598 1 1 610 . 15 1 1 A 66 66 PHE C C 279 174.258 174.482 -0.224 1 1 611 . 15 1 1 A 66 66 PHE CA C 279 58.032 56.693 1.339 1 1 612 . 15 1 1 A 66 66 PHE CB C 279 39.809 43.913 -4.104 1 1 616 . 15 1 1 A 66 66 PHE N N 279 117.992 116.992 1.000 1 1 617 . 15 1 1 A 67 67 GLU H H 280 8.403 8.593 -0.190 1 1 618 . 15 1 1 A 67 67 GLU HA H 280 4.631 5.234 -0.603 1 1 621 . 15 1 1 A 67 67 GLU C C 280 174.640 175.444 -0.804 1 1 622 . 15 1 1 A 67 67 GLU CA C 280 55.467 54.901 0.566 1 1 623 . 15 1 1 A 67 67 GLU CB C 280 30.671 32.844 -2.173 1 1 625 . 15 1 1 A 67 67 GLU N N 280 120.980 119.300 1.680 1 1 626 . 15 1 1 A 68 68 ILE H H 281 8.988 8.639 0.349 1 1 627 . 15 1 1 A 68 68 ILE HA H 281 4.491 4.630 -0.139 1 1 636 . 15 1 1 A 68 68 ILE C C 281 176.177 174.589 1.588 1 1 637 . 15 1 1 A 68 68 ILE CA C 281 59.688 60.358 -0.670 1 1 638 . 15 1 1 A 68 68 ILE CB C 281 35.090 41.054 -5.964 1 1 642 . 15 1 1 A 68 68 ILE N N 281 127.994 121.421 6.573 1 1 643 . 15 1 1 A 69 69 LYS H H 282 8.559 8.748 -0.189 1 1 644 . 15 1 1 A 69 69 LYS HA H 282 4.981 4.733 0.248 1 1 645 . 15 1 1 A 69 69 LYS CA C 282 50.465 53.184 -2.719 1 1 646 . 15 1 1 A 69 69 LYS CB C 282 32.762 33.472 -0.710 1 1 649 . 15 1 1 A 69 69 LYS N N 282 126.350 129.066 -2.716 1 1 650 . 15 1 1 A 70 70 PRO HA H 283 5.133 4.578 0.555 1 1 651 . 15 1 1 A 70 70 PRO C C 283 176.378 176.522 -0.144 1 1 652 . 15 1 1 A 70 70 PRO CA C 283 62.027 62.629 -0.602 1 1 653 . 15 1 1 A 70 70 PRO CB C 283 32.856 32.444 0.412 1 1 655 . 15 1 1 A 71 71 HIS H H 284 8.967 8.711 0.256 1 1 656 . 15 1 1 A 71 71 HIS HA H 284 4.465 4.801 -0.336 1 1 660 . 15 1 1 A 71 71 HIS C C 284 172.714 174.918 -2.204 1 1 661 . 15 1 1 A 71 71 HIS CA C 284 55.994 55.710 0.284 1 1 662 . 15 1 1 A 71 71 HIS CB C 284 33.678 32.305 1.373 1 1 664 . 15 1 1 A 71 71 HIS N N 284 121.708 120.028 1.680 1 1 665 . 15 1 1 A 72 72 ASP H H 285 8.625 8.636 -0.011 1 1 666 . 15 1 1 A 72 72 ASP HA H 285 5.695 4.715 0.980 1 1 669 . 15 1 1 A 72 72 ASP C C 285 175.881 175.763 0.118 1 1 670 . 15 1 1 A 72 72 ASP CA C 285 53.201 52.328 0.873 1 1 671 . 15 1 1 A 72 72 ASP CB C 285 43.758 41.449 2.309 1 1 672 . 15 1 1 A 72 72 ASP N N 285 122.941 119.979 2.962 1 1 673 . 15 1 1 A 73 73 ASP H H 286 9.212 8.577 0.635 1 1 674 . 15 1 1 A 73 73 ASP HA H 286 4.263 4.465 -0.202 1 1 676 . 15 1 1 A 73 73 ASP C C 286 174.368 176.337 -1.969 1 1 677 . 15 1 1 A 73 73 ASP CA C 286 56.488 55.227 1.261 1 1 678 . 15 1 1 A 73 73 ASP CB C 286 39.083 40.700 -1.617 1 1 679 . 15 1 1 A 73 73 ASP N N 286 119.175 118.825 0.350 1 1 680 . 15 1 1 A 74 74 CYS H H 287 8.750 8.873 -0.123 1 1 681 . 15 1 1 A 74 74 CYS HA H 287 4.854 5.104 -0.250 1 1 684 . 15 1 1 A 74 74 CYS C C 287 176.146 174.658 1.488 1 1 685 . 15 1 1 A 74 74 CYS CA C 287 58.552 58.111 0.441 1 1 686 . 15 1 1 A 74 74 CYS CB C 287 53.204 30.050 23.154 1 1 687 . 15 1 1 A 74 74 CYS N N 287 119.631 123.096 -3.465 1 1 688 . 15 1 1 A 75 75 THR H H 288 8.535 8.750 -0.215 1 1 689 . 15 1 1 A 75 75 THR HA H 288 4.163 4.527 -0.364 1 1 694 . 15 1 1 A 75 75 THR C C 288 174.663 175.574 -0.911 1 1 695 . 15 1 1 A 75 75 THR CA C 288 61.353 61.357 -0.004 1 1 696 . 15 1 1 A 75 75 THR CB C 288 70.100 70.977 -0.877 1 1 698 . 15 1 1 A 75 75 THR N N 288 115.998 118.877 -2.879 1 1 699 . 15 1 1 A 76 76 VAL H H 289 8.083 8.754 -0.671 1 1 700 . 15 1 1 A 76 76 VAL HA H 289 3.414 3.926 -0.512 1 1 708 . 15 1 1 A 76 76 VAL C C 289 176.443 177.082 -0.639 1 1 709 . 15 1 1 A 76 76 VAL CA C 289 69.066 65.243 3.823 1 1 710 . 15 1 1 A 76 76 VAL CB C 289 30.361 31.621 -1.260 1 1 713 . 15 1 1 A 76 76 VAL N N 289 120.599 122.080 -1.481 1 1 714 . 15 1 1 A 77 77 GLU H H 290 9.095 7.804 1.291 1 1 715 . 15 1 1 A 77 77 GLU HA H 290 4.027 3.847 0.180 1 1 720 . 15 1 1 A 77 77 GLU C C 290 179.172 178.442 0.730 1 1 721 . 15 1 1 A 77 77 GLU CA C 290 59.831 59.187 0.644 1 1 722 . 15 1 1 A 77 77 GLU CB C 290 29.493 29.209 0.284 1 1 724 . 15 1 1 A 77 77 GLU N N 290 119.191 121.021 -1.830 1 1 725 . 15 1 1 A 78 78 GLN H H 291 7.523 7.978 -0.455 1 1 726 . 15 1 1 A 78 78 GLN HA H 291 4.079 4.159 -0.080 1 1 731 . 15 1 1 A 78 78 GLN C C 291 177.815 178.443 -0.628 1 1 732 . 15 1 1 A 78 78 GLN CA C 291 58.920 58.208 0.712 1 1 734 . 15 1 1 A 78 78 GLN N N 291 117.101 118.319 -1.218 1 1 735 . 15 1 1 A 79 79 ILE H H 292 8.368 7.867 0.501 1 1 736 . 15 1 1 A 79 79 ILE HA H 292 3.427 3.759 -0.332 1 1 746 . 15 1 1 A 79 79 ILE C C 292 177.133 177.656 -0.523 1 1 747 . 15 1 1 A 79 79 ILE CA C 292 67.132 65.194 1.938 1 1 748 . 15 1 1 A 79 79 ILE CB C 292 37.163 37.518 -0.355 1 1 752 . 15 1 1 A 79 79 ILE N N 292 120.006 120.476 -0.470 1 1 753 . 15 1 1 A 80 80 TYR H H 293 8.302 8.174 0.128 1 1 754 . 15 1 1 A 80 80 TYR HA H 293 4.179 4.362 -0.183 1 1 759 . 15 1 1 A 80 80 TYR C C 293 178.907 178.250 0.657 1 1 760 . 15 1 1 A 80 80 TYR CA C 293 61.737 60.244 1.493 1 1 761 . 15 1 1 A 80 80 TYR CB C 293 37.201 37.622 -0.421 1 1 764 . 15 1 1 A 80 80 TYR N N 293 116.291 120.589 -4.298 1 1 765 . 15 1 1 A 81 81 GLU H H 294 8.170 8.272 -0.102 1 1 766 . 15 1 1 A 81 81 GLU HA H 294 4.036 4.037 -0.001 1 1 771 . 15 1 1 A 81 81 GLU C C 294 178.414 179.445 -1.031 1 1 772 . 15 1 1 A 81 81 GLU CA C 294 59.768 59.027 0.741 1 1 773 . 15 1 1 A 81 81 GLU CB C 294 29.489 29.390 0.099 1 1 775 . 15 1 1 A 81 81 GLU N N 294 120.325 119.690 0.635 1 1 776 . 15 1 1 A 82 82 ILE H H 295 8.501 7.513 0.988 1 1 777 . 15 1 1 A 82 82 ILE HA H 295 3.675 3.541 0.134 1 1 787 . 15 1 1 A 82 82 ILE C C 295 177.751 178.445 -0.694 1 1 788 . 15 1 1 A 82 82 ILE CA C 295 65.288 64.624 0.664 1 1 789 . 15 1 1 A 82 82 ILE CB C 295 38.497 36.959 1.538 1 1 793 . 15 1 1 A 82 82 ILE N N 295 120.434 120.737 -0.303 1 1 794 . 15 1 1 A 83 83 LEU H H 296 8.508 7.813 0.695 1 1 795 . 15 1 1 A 83 83 LEU HA H 296 4.289 3.931 0.358 1 1 805 . 15 1 1 A 83 83 LEU C C 296 178.393 178.446 -0.053 1 1 806 . 15 1 1 A 83 83 LEU CA C 296 58.937 57.596 1.341 1 1 807 . 15 1 1 A 83 83 LEU CB C 296 39.626 41.010 -1.384 1 1 811 . 15 1 1 A 83 83 LEU N N 296 116.807 121.881 -5.074 1 1 812 . 15 1 1 A 84 84 LYS H H 297 8.048 7.700 0.348 1 1 813 . 15 1 1 A 84 84 LYS HA H 297 3.967 4.158 -0.191 1 1 820 . 15 1 1 A 84 84 LYS C C 297 177.773 178.735 -0.962 1 1 821 . 15 1 1 A 84 84 LYS CA C 297 58.890 58.537 0.353 1 1 822 . 15 1 1 A 84 84 LYS CB C 297 31.169 33.004 -1.835 1 1 826 . 15 1 1 A 84 84 LYS N N 297 118.687 118.155 0.532 1 1 827 . 15 1 1 A 85 85 ILE H H 298 7.694 7.988 -0.294 1 1 828 . 15 1 1 A 85 85 ILE HA H 298 3.456 3.718 -0.262 1 1 838 . 15 1 1 A 85 85 ILE C C 298 179.100 177.896 1.204 1 1 839 . 15 1 1 A 85 85 ILE CA C 298 65.307 65.215 0.092 1 1 840 . 15 1 1 A 85 85 ILE CB C 298 36.965 37.713 -0.748 1 1 844 . 15 1 1 A 85 85 ILE N N 298 118.157 120.331 -2.174 1 1 845 . 15 1 1 A 86 86 TYR H H 299 7.613 7.862 -0.249 1 1 846 . 15 1 1 A 86 86 TYR HA H 299 4.103 4.525 -0.422 1 1 851 . 15 1 1 A 86 86 TYR C C 299 177.425 178.018 -0.593 1 1 852 . 15 1 1 A 86 86 TYR CA C 299 63.129 60.560 2.569 1 1 853 . 15 1 1 A 86 86 TYR CB C 299 38.745 38.284 0.461 1 1 856 . 15 1 1 A 86 86 TYR N N 299 115.499 119.921 -4.422 1 1 857 . 15 1 1 A 87 87 GLN H H 300 9.112 8.568 0.544 1 1 858 . 15 1 1 A 87 87 GLN HA H 300 3.977 4.218 -0.241 1 1 861 . 15 1 1 A 87 87 GLN C C 300 176.380 178.447 -2.067 1 1 862 . 15 1 1 A 87 87 GLN CA C 300 58.976 58.177 0.799 1 1 863 . 15 1 1 A 87 87 GLN CB C 300 28.819 28.738 0.081 1 1 865 . 15 1 1 A 87 87 GLN N N 300 125.039 121.645 3.394 1 1 866 . 15 1 1 A 88 88 LEU H H 301 7.536 8.171 -0.635 1 1 867 . 15 1 1 A 88 88 LEU HA H 301 4.309 4.047 0.262 1 1 877 . 15 1 1 A 88 88 LEU C C 301 177.129 180.061 -2.932 1 1 878 . 15 1 1 A 88 88 LEU CA C 301 55.142 57.809 -2.667 1 1 879 . 15 1 1 A 88 88 LEU CB C 301 41.809 41.013 0.796 1 1 883 . 15 1 1 A 88 88 LEU N N 301 115.623 119.148 -3.525 1 1 884 . 15 1 1 A 89 89 MET H H 302 7.025 8.014 -0.989 1 1 885 . 15 1 1 A 89 89 MET HA H 302 4.031 4.113 -0.082 1 1 893 . 15 1 1 A 89 89 MET C C 302 172.664 175.922 -3.258 1 1 894 . 15 1 1 A 89 89 MET CA C 302 55.513 58.895 -3.382 1 1 895 . 15 1 1 A 89 89 MET CB C 302 33.748 32.707 1.041 1 1 898 . 15 1 1 A 89 89 MET N N 302 120.789 119.671 1.118 1 1 899 . 15 1 1 A 90 90 ASP H H 303 8.056 8.110 -0.054 1 1 900 . 15 1 1 A 90 90 ASP HA H 303 4.746 4.429 0.317 1 1 903 . 15 1 1 A 90 90 ASP C C 303 177.139 175.718 1.421 1 1 904 . 15 1 1 A 90 90 ASP CA C 303 54.411 55.518 -1.107 1 1 905 . 15 1 1 A 90 90 ASP CB C 303 40.987 38.828 2.159 1 1 906 . 15 1 1 A 90 90 ASP N N 303 117.873 115.992 1.881 1 1 907 . 15 1 1 A 91 91 HIS H H 304 9.371 8.589 0.782 1 1 908 . 15 1 1 A 91 91 HIS HA H 304 4.657 4.742 -0.085 1 1 912 . 15 1 1 A 91 91 HIS C C 304 177.332 174.966 2.366 1 1 913 . 15 1 1 A 91 91 HIS CA C 304 56.031 55.947 0.084 1 1 914 . 15 1 1 A 91 91 HIS CB C 304 31.150 30.936 0.214 1 1 916 . 15 1 1 A 91 91 HIS N N 304 126.666 113.513 13.153 1 1 917 . 15 1 1 A 92 92 SER H H 305 8.952 7.280 1.672 1 1 918 . 15 1 1 A 92 92 SER HA H 305 4.055 4.382 -0.327 1 1 921 . 15 1 1 A 92 92 SER CA C 305 63.687 56.931 6.756 1 1 922 . 15 1 1 A 92 92 SER CB C 305 62.694 65.079 -2.385 1 1 923 . 15 1 1 A 92 92 SER N N 305 118.610 113.560 5.050 1 1 924 . 15 1 1 A 93 93 ASN H H 306 8.745 8.455 0.290 1 1 925 . 15 1 1 A 93 93 ASN HA H 306 4.803 5.361 -0.558 1 1 928 . 15 1 1 A 93 93 ASN C C 306 173.428 174.321 -0.893 1 1 929 . 15 1 1 A 93 93 ASN CA C 306 53.018 51.856 1.162 1 1 930 . 15 1 1 A 93 93 ASN CB C 306 38.033 39.508 -1.475 1 1 931 . 15 1 1 A 93 93 ASN N N 306 116.257 121.278 -5.021 1 1 932 . 15 1 1 A 94 94 MET H H 307 7.942 8.524 -0.582 1 1 933 . 15 1 1 A 94 94 MET HA H 307 4.683 4.561 0.122 1 1 939 . 15 1 1 A 94 94 MET C C 307 174.640 176.804 -2.164 1 1 940 . 15 1 1 A 94 94 MET CA C 307 53.564 55.766 -2.202 1 1 941 . 15 1 1 A 94 94 MET CB C 307 33.988 33.882 0.106 1 1 944 . 15 1 1 A 94 94 MET N N 307 117.799 124.239 -6.440 1 1 945 . 15 1 1 A 95 95 ASP H H 308 8.276 8.784 -0.508 1 1 946 . 15 1 1 A 95 95 ASP HA H 308 5.172 4.414 0.758 1 1 949 . 15 1 1 A 95 95 ASP C C 308 176.264 175.256 1.008 1 1 950 . 15 1 1 A 95 95 ASP CA C 308 55.617 56.851 -1.234 1 1 951 . 15 1 1 A 95 95 ASP CB C 308 45.114 40.449 4.665 1 1 952 . 15 1 1 A 95 95 ASP N N 308 119.567 122.307 -2.740 1 1 953 . 15 1 1 A 96 96 CYS H H 309 8.215 7.340 0.875 1 1 954 . 15 1 1 A 96 96 CYS HA H 309 4.680 4.416 0.264 1 1 957 . 15 1 1 A 96 96 CYS C C 309 170.157 172.527 -2.370 1 1 958 . 15 1 1 A 96 96 CYS CA C 309 57.203 58.332 -1.129 1 1 959 . 15 1 1 A 96 96 CYS CB C 309 52.974 30.324 22.650 1 1 960 . 15 1 1 A 96 96 CYS N N 309 118.264 115.060 3.204 1 1 961 . 15 1 1 A 97 97 PHE H H 310 8.108 8.484 -0.376 1 1 962 . 15 1 1 A 97 97 PHE HA H 310 5.071 5.122 -0.051 1 1 967 . 15 1 1 A 97 97 PHE C C 310 171.279 172.214 -0.935 1 1 968 . 15 1 1 A 97 97 PHE CA C 310 57.910 56.409 1.501 1 1 969 . 15 1 1 A 97 97 PHE CB C 310 44.724 40.413 4.311 1 1 972 . 15 1 1 A 97 97 PHE N N 310 125.767 117.646 8.121 1 1 973 . 15 1 1 A 98 98 ILE H H 311 7.647 8.914 -1.267 1 1 974 . 15 1 1 A 98 98 ILE HA H 311 4.581 4.856 -0.275 1 1 984 . 15 1 1 A 98 98 ILE C C 311 172.012 174.951 -2.939 1 1 985 . 15 1 1 A 98 98 ILE CA C 311 58.312 59.943 -1.631 1 1 986 . 15 1 1 A 98 98 ILE CB C 311 39.964 40.838 -0.874 1 1 990 . 15 1 1 A 98 98 ILE N N 311 125.102 120.299 4.803 1 1 991 . 15 1 1 A 99 99 CYS H H 312 8.309 8.902 -0.593 1 1 992 . 15 1 1 A 99 99 CYS HA H 312 4.471 4.869 -0.398 1 1 993 . 15 1 1 A 99 99 CYS C C 312 171.965 173.296 -1.331 1 1 994 . 15 1 1 A 99 99 CYS CA C 312 56.347 57.467 -1.120 1 1 995 . 15 1 1 A 99 99 CYS CB C 312 51.093 26.736 24.357 1 1 996 . 15 1 1 A 99 99 CYS N N 312 124.548 124.945 -0.397 1 1 997 . 15 1 1 A 100 100 CYS H H 313 9.116 9.140 -0.024 1 1 998 . 15 1 1 A 100 100 CYS HA H 313 5.880 4.763 1.117 1 1 1001 . 15 1 1 A 100 100 CYS C C 313 173.635 173.350 0.285 1 1 1002 . 15 1 1 A 100 100 CYS CA C 313 55.906 57.979 -2.073 1 1 1003 . 15 1 1 A 100 100 CYS CB C 313 52.685 28.430 24.255 1 1 1004 . 15 1 1 A 100 100 CYS N N 313 127.015 124.593 2.422 1 1 1005 . 15 1 1 A 101 101 ILE H H 314 8.896 8.765 0.131 1 1 1006 . 15 1 1 A 101 101 ILE HA H 314 4.737 4.504 0.233 1 1 1016 . 15 1 1 A 101 101 ILE C C 314 172.277 175.847 -3.570 1 1 1017 . 15 1 1 A 101 101 ILE CA C 314 60.937 60.521 0.416 1 1 1018 . 15 1 1 A 101 101 ILE CB C 314 40.848 39.362 1.486 1 1 1022 . 15 1 1 A 101 101 ILE N N 314 121.994 128.657 -6.663 1 1 1023 . 15 1 1 A 102 102 LEU H H 315 8.951 8.730 0.221 1 1 1024 . 15 1 1 A 102 102 LEU HA H 315 5.285 4.337 0.948 1 1 1029 . 15 1 1 A 102 102 LEU C C 315 174.789 176.598 -1.809 1 1 1030 . 15 1 1 A 102 102 LEU CA C 315 52.489 57.720 -5.231 1 1 1031 . 15 1 1 A 102 102 LEU CB C 315 40.041 42.341 -2.300 1 1 1034 . 15 1 1 A 102 102 LEU N N 315 127.404 130.015 -2.611 1 1 1035 . 15 1 1 A 103 103 SER H H 316 9.096 8.028 1.068 1 1 1036 . 15 1 1 A 103 103 SER HA H 316 4.680 4.914 -0.234 1 1 1039 . 15 1 1 A 103 103 SER C C 316 174.555 173.441 1.114 1 1 1040 . 15 1 1 A 103 103 SER CA C 316 56.403 56.911 -0.508 1 1 1041 . 15 1 1 A 103 103 SER CB C 316 63.224 64.194 -0.970 1 1 1042 . 15 1 1 A 103 103 SER N N 316 113.273 111.087 2.186 1 1 1043 . 15 1 1 A 104 104 HIS H H 317 7.515 8.556 -1.041 1 1 1044 . 15 1 1 A 104 104 HIS HA H 317 5.214 4.913 0.301 1 1 1048 . 15 1 1 A 104 104 HIS C C 317 175.667 174.184 1.483 1 1 1049 . 15 1 1 A 104 104 HIS CA C 317 56.371 55.504 0.867 1 1 1050 . 15 1 1 A 104 104 HIS CB C 317 34.676 32.794 1.882 1 1 1052 . 15 1 1 A 104 104 HIS N N 317 114.740 124.651 -9.911 1 1 1053 . 15 1 1 A 105 105 GLY H H 318 8.368 8.442 -0.074 1 1 1054 . 15 1 1 A 105 105 GLY C C 318 169.470 173.027 -3.557 1 1 1055 . 15 1 1 A 105 105 GLY CA C 318 45.558 44.388 1.170 1 1 1056 . 15 1 1 A 105 105 GLY N N 318 107.330 113.538 -6.208 1 1 1057 . 15 1 1 A 106 106 ASP H H 319 7.943 8.492 -0.549 1 1 1058 . 15 1 1 A 106 106 ASP HA H 319 4.622 4.761 -0.139 1 1 1061 . 15 1 1 A 106 106 ASP C C 319 175.179 177.727 -2.548 1 1 1062 . 15 1 1 A 106 106 ASP CA C 319 53.188 53.887 -0.699 1 1 1063 . 15 1 1 A 106 106 ASP CB C 319 43.555 41.850 1.705 1 1 1064 . 15 1 1 A 106 106 ASP N N 319 116.893 120.791 -3.898 1 1 1065 . 15 1 1 A 107 107 LYS H H 320 9.376 8.602 0.774 1 1 1066 . 15 1 1 A 107 107 LYS HA H 320 3.956 4.113 -0.157 1 1 1075 . 15 1 1 A 107 107 LYS C C 320 176.864 177.703 -0.839 1 1 1076 . 15 1 1 A 107 107 LYS CA C 320 58.567 58.279 0.288 1 1 1077 . 15 1 1 A 107 107 LYS CB C 320 30.568 32.778 -2.210 1 1 1081 . 15 1 1 A 107 107 LYS N N 320 122.539 121.218 1.321 1 1 1082 . 15 1 1 A 108 108 GLY H H 321 9.025 7.259 1.766 1 1 1083 . 15 1 1 A 108 108 GLY C C 321 173.633 174.708 -1.075 1 1 1084 . 15 1 1 A 108 108 GLY CA C 321 45.491 45.458 0.033 1 1 1085 . 15 1 1 A 108 108 GLY N N 321 111.919 105.133 6.786 1 1 1086 . 15 1 1 A 109 109 ILE H H 322 8.157 7.775 0.382 1 1 1087 . 15 1 1 A 109 109 ILE HA H 322 4.994 4.029 0.965 1 1 1097 . 15 1 1 A 109 109 ILE C C 322 174.524 176.145 -1.621 1 1 1098 . 15 1 1 A 109 109 ILE CA C 322 59.009 63.114 -4.105 1 1 1099 . 15 1 1 A 109 109 ILE CB C 322 43.375 38.228 5.147 1 1 1103 . 15 1 1 A 109 109 ILE N N 322 116.465 118.284 -1.819 1 1 1104 . 15 1 1 A 110 110 ILE H H 323 8.443 7.679 0.764 1 1 1105 . 15 1 1 A 110 110 ILE HA H 323 4.530 4.301 0.229 1 1 1115 . 15 1 1 A 110 110 ILE C C 323 174.337 173.933 0.404 1 1 1116 . 15 1 1 A 110 110 ILE CA C 323 58.547 59.943 -1.396 1 1 1117 . 15 1 1 A 110 110 ILE CB C 323 41.604 41.367 0.237 1 1 1121 . 15 1 1 A 110 110 ILE N N 323 116.661 120.890 -4.229 1 1 1122 . 15 1 1 A 111 111 TYR H H 324 8.584 8.391 0.193 1 1 1123 . 15 1 1 A 111 111 TYR HA H 324 5.557 4.914 0.643 1 1 1128 . 15 1 1 A 111 111 TYR C C 324 178.528 175.720 2.808 1 1 1129 . 15 1 1 A 111 111 TYR CA C 324 56.571 56.951 -0.380 1 1 1130 . 15 1 1 A 111 111 TYR CB C 324 39.984 40.760 -0.776 1 1 1133 . 15 1 1 A 111 111 TYR N N 324 119.472 127.231 -7.759 1 1 1134 . 15 1 1 A 112 112 GLY H H 325 8.522 8.463 0.059 1 1 1135 . 15 1 1 A 112 112 GLY C C 325 174.755 173.651 1.104 1 1 1136 . 15 1 1 A 112 112 GLY CA C 325 43.145 46.305 -3.160 1 1 1137 . 15 1 1 A 112 112 GLY N N 325 107.078 108.799 -1.721 1 1 1138 . 15 1 1 A 113 113 THR H H 326 8.245 8.671 -0.426 1 1 1139 . 15 1 1 A 113 113 THR HA H 326 3.186 4.461 -1.275 1 1 1144 . 15 1 1 A 113 113 THR C C 326 173.264 176.113 -2.849 1 1 1145 . 15 1 1 A 113 113 THR CA C 326 64.857 64.155 0.702 1 1 1146 . 15 1 1 A 113 113 THR CB C 326 66.749 70.390 -3.641 1 1 1148 . 15 1 1 A 113 113 THR N N 326 113.146 117.260 -4.114 1 1 1149 . 15 1 1 A 114 114 ASP H H 327 8.801 8.162 0.639 1 1 1150 . 15 1 1 A 114 114 ASP HA H 327 4.099 4.755 -0.656 1 1 1153 . 15 1 1 A 114 114 ASP C C 327 176.262 178.006 -1.744 1 1 1154 . 15 1 1 A 114 114 ASP CA C 327 52.768 56.089 -3.321 1 1 1155 . 15 1 1 A 114 114 ASP CB C 327 39.312 41.793 -2.481 1 1 1156 . 15 1 1 A 114 114 ASP N N 327 112.026 120.718 -8.692 1 1 1157 . 15 1 1 A 115 115 GLY H H 328 8.462 7.953 0.509 1 1 1158 . 15 1 1 A 115 115 GLY HA2 H 328 4.010 3.933 0.077 1 1 1159 . 15 1 1 A 115 115 GLY HA3 H 328 4.010 3.941 0.069 1 1 1160 . 15 1 1 A 115 115 GLY C C 328 171.918 174.284 -2.366 1 1 1161 . 15 1 1 A 115 115 GLY CA C 328 45.463 45.203 0.260 1 1 1162 . 15 1 1 A 115 115 GLY N N 328 107.749 106.050 1.699 1 1 1163 . 15 1 1 A 116 116 GLN H H 329 6.657 7.625 -0.968 1 1 1164 . 15 1 1 A 116 116 GLN HA H 329 4.441 4.358 0.083 1 1 1170 . 15 1 1 A 116 116 GLN C C 329 174.196 175.703 -1.507 1 1 1171 . 15 1 1 A 116 116 GLN CA C 329 55.204 56.151 -0.947 1 1 1172 . 15 1 1 A 116 116 GLN CB C 329 28.541 29.042 -0.501 1 1 1174 . 15 1 1 A 116 116 GLN N N 329 115.146 118.994 -3.848 1 1 1176 . 15 1 1 A 117 117 GLU H H 330 8.624 8.968 -0.344 1 1 1177 . 15 1 1 A 117 117 GLU HA H 330 4.733 5.239 -0.506 1 1 1178 . 15 1 1 A 117 117 GLU C C 330 175.357 174.642 0.715 1 1 1179 . 15 1 1 A 117 117 GLU CA C 330 55.191 54.735 0.456 1 1 1180 . 15 1 1 A 117 117 GLU CB C 330 32.586 33.885 -1.299 1 1 1182 . 15 1 1 A 117 117 GLU N N 330 119.031 118.826 0.205 1 1 1183 . 15 1 1 A 118 118 ALA H H 331 8.995 8.245 0.750 1 1 1184 . 15 1 1 A 118 118 ALA HA H 331 5.165 4.931 0.234 1 1 1188 . 15 1 1 A 118 118 ALA C C 331 173.650 174.023 -0.373 1 1 1189 . 15 1 1 A 118 118 ALA CA C 331 48.343 50.205 -1.862 1 1 1190 . 15 1 1 A 118 118 ALA CB C 331 20.353 22.076 -1.723 1 1 1191 . 15 1 1 A 118 118 ALA N N 331 123.550 121.882 1.668 1 1 1192 . 15 1 1 A 119 119 PRO HA H 332 4.819 5.112 -0.293 1 1 1193 . 15 1 1 A 119 119 PRO C C 332 177.819 177.673 0.146 1 1 1194 . 15 1 1 A 119 119 PRO CA C 332 62.007 62.702 -0.695 1 1 1195 . 15 1 1 A 119 119 PRO CB C 332 32.081 32.205 -0.124 1 1 1197 . 15 1 1 A 120 120 ILE H H 333 8.574 9.024 -0.450 1 1 1198 . 15 1 1 A 120 120 ILE HA H 333 3.278 4.032 -0.754 1 1 1206 . 15 1 1 A 120 120 ILE C C 333 177.316 177.731 -0.415 1 1 1207 . 15 1 1 A 120 120 ILE CA C 333 66.025 63.455 2.570 1 1 1208 . 15 1 1 A 120 120 ILE CB C 333 37.991 37.889 0.102 1 1 1212 . 15 1 1 A 120 120 ILE N N 333 126.740 124.943 1.797 1 1 1213 . 15 1 1 A 121 121 TYR H H 334 9.192 8.275 0.917 1 1 1214 . 15 1 1 A 121 121 TYR HA H 334 3.942 4.366 -0.424 1 1 1219 . 15 1 1 A 121 121 TYR C C 334 177.847 176.861 0.986 1 1 1220 . 15 1 1 A 121 121 TYR CA C 334 60.688 61.574 -0.886 1 1 1221 . 15 1 1 A 121 121 TYR CB C 334 38.803 37.970 0.833 1 1 1224 . 15 1 1 A 121 121 TYR N N 334 117.479 121.178 -3.699 1 1 1225 . 15 1 1 A 122 122 GLU H H 335 7.178 7.933 -0.755 1 1 1226 . 15 1 1 A 122 122 GLU HA H 335 3.751 4.447 -0.696 1 1 1228 . 15 1 1 A 122 122 GLU C C 335 176.427 176.842 -0.415 1 1 1229 . 15 1 1 A 122 122 GLU CA C 335 58.378 56.347 2.031 1 1 1230 . 15 1 1 A 122 122 GLU CB C 335 29.477 30.158 -0.681 1 1 1232 . 15 1 1 A 122 122 GLU N N 335 115.885 118.264 -2.379 1 1 1233 . 15 1 1 A 123 123 LEU H H 336 7.440 7.792 -0.352 1 1 1234 . 15 1 1 A 123 123 LEU HA H 336 4.123 4.151 -0.028 1 1 1244 . 15 1 1 A 123 123 LEU C C 336 177.925 178.178 -0.253 1 1 1245 . 15 1 1 A 123 123 LEU CA C 336 56.646 56.103 0.543 1 1 1246 . 15 1 1 A 123 123 LEU CB C 336 40.661 43.102 -2.441 1 1 1250 . 15 1 1 A 123 123 LEU N N 336 115.934 117.865 -1.931 1 1 1251 . 15 1 1 A 124 124 THR H H 337 8.009 8.545 -0.536 1 1 1252 . 15 1 1 A 124 124 THR HA H 337 3.597 3.875 -0.278 1 1 1257 . 15 1 1 A 124 124 THR C C 337 177.568 175.804 1.764 1 1 1258 . 15 1 1 A 124 124 THR CA C 337 64.110 64.693 -0.583 1 1 1259 . 15 1 1 A 124 124 THR CB C 337 67.603 68.806 -1.203 1 1 1261 . 15 1 1 A 124 124 THR N N 337 107.827 111.563 -3.736 1 1 1262 . 15 1 1 A 125 125 SER H H 338 7.435 8.208 -0.773 1 1 1263 . 15 1 1 A 125 125 SER HA H 338 3.723 4.722 -0.999 1 1 1266 . 15 1 1 A 125 125 SER C C 338 174.040 174.947 -0.907 1 1 1267 . 15 1 1 A 125 125 SER CA C 338 60.514 58.434 2.080 1 1 1268 . 15 1 1 A 125 125 SER CB C 338 62.391 64.131 -1.740 1 1 1269 . 15 1 1 A 125 125 SER N N 338 112.670 116.755 -4.085 1 1 1270 . 15 1 1 A 126 126 GLN H H 339 7.071 8.016 -0.945 1 1 1271 . 15 1 1 A 126 126 GLN HA H 339 3.850 4.619 -0.769 1 1 1276 . 15 1 1 A 126 126 GLN C C 339 173.915 176.301 -2.386 1 1 1277 . 15 1 1 A 126 126 GLN CA C 339 56.106 55.649 0.457 1 1 1278 . 15 1 1 A 126 126 GLN CB C 339 27.028 30.149 -3.121 1 1 1280 . 15 1 1 A 126 126 GLN N N 339 117.347 119.507 -2.160 1 1 1281 . 15 1 1 A 127 127 PHE H H 340 7.355 8.130 -0.775 1 1 1282 . 15 1 1 A 127 127 PHE HA H 340 4.515 4.772 -0.257 1 1 1285 . 15 1 1 A 127 127 PHE C C 340 175.241 175.421 -0.180 1 1 1286 . 15 1 1 A 127 127 PHE CA C 340 57.914 57.035 0.879 1 1 1287 . 15 1 1 A 127 127 PHE CB C 340 38.496 40.323 -1.827 1 1 1288 . 15 1 1 A 127 127 PHE N N 340 110.412 116.245 -5.833 1 1 1289 . 15 1 1 A 128 128 THR H H 341 6.785 7.539 -0.754 1 1 1290 . 15 1 1 A 128 128 THR HA H 341 4.294 3.873 0.421 1 1 1295 . 15 1 1 A 128 128 THR C C 341 174.727 175.492 -0.765 1 1 1296 . 15 1 1 A 128 128 THR CA C 341 62.016 63.444 -1.428 1 1 1297 . 15 1 1 A 128 128 THR CB C 341 69.757 68.414 1.343 1 1 1299 . 15 1 1 A 128 128 THR N N 341 107.455 116.133 -8.678 1 1 1300 . 15 1 1 A 129 129 GLY H H 342 10.506 8.770 1.736 1 1 1301 . 15 1 1 A 129 129 GLY HA2 H 342 3.841 3.759 0.082 1 1 1302 . 15 1 1 A 129 129 GLY HA3 H 342 3.648 3.779 -0.131 1 1 1303 . 15 1 1 A 129 129 GLY C C 342 175.631 175.412 0.219 1 1 1304 . 15 1 1 A 129 129 GLY CA C 342 47.056 47.136 -0.080 1 1 1305 . 15 1 1 A 129 129 GLY N N 342 111.023 113.732 -2.709 1 1 1306 . 15 1 1 A 130 130 LEU H H 343 8.003 7.898 0.105 1 1 1307 . 15 1 1 A 130 130 LEU HA H 343 4.135 4.144 -0.009 1 1 1317 . 15 1 1 A 130 130 LEU C C 343 178.627 177.471 1.156 1 1 1318 . 15 1 1 A 130 130 LEU CA C 343 56.606 56.459 0.147 1 1 1319 . 15 1 1 A 130 130 LEU CB C 343 42.399 41.464 0.935 1 1 1323 . 15 1 1 A 130 130 LEU N N 343 116.983 122.378 -5.395 1 1 1324 . 15 1 1 A 131 131 LYS H H 344 6.961 7.980 -1.019 1 1 1325 . 15 1 1 A 131 131 LYS HA H 344 4.001 4.404 -0.403 1 1 1333 . 15 1 1 A 131 131 LYS C C 344 176.224 177.248 -1.024 1 1 1334 . 15 1 1 A 131 131 LYS CA C 344 57.534 56.865 0.669 1 1 1335 . 15 1 1 A 131 131 LYS CB C 344 33.404 34.340 -0.936 1 1 1339 . 15 1 1 A 131 131 LYS N N 344 116.907 117.498 -0.591 1 1 1340 . 15 1 1 A 132 132 CYS H H 345 8.564 7.819 0.745 1 1 1341 . 15 1 1 A 132 132 CYS HA H 345 4.930 4.661 0.269 1 1 1344 . 15 1 1 A 132 132 CYS C C 345 172.261 174.818 -2.557 1 1 1345 . 15 1 1 A 132 132 CYS CA C 345 56.566 60.026 -3.460 1 1 1346 . 15 1 1 A 132 132 CYS CB C 345 49.011 29.788 19.223 1 1 1347 . 15 1 1 A 132 132 CYS N N 345 117.718 115.342 2.376 1 1 1348 . 15 1 1 A 133 133 PRO HA H 346 4.719 4.867 -0.148 1 1 1354 . 15 1 1 A 133 133 PRO C C 346 179.500 177.170 2.330 1 1 1355 . 15 1 1 A 133 133 PRO CA C 346 62.681 62.511 0.170 1 1 1356 . 15 1 1 A 133 133 PRO CB C 346 34.366 29.247 5.119 1 1 1359 . 15 1 1 A 134 134 SER H H 347 8.896 8.588 0.308 1 1 1360 . 15 1 1 A 134 134 SER HA H 347 4.415 4.117 0.298 1 1 1363 . 15 1 1 A 134 134 SER C C 347 174.434 175.985 -1.551 1 1 1364 . 15 1 1 A 134 134 SER CA C 347 60.509 61.349 -0.840 1 1 1365 . 15 1 1 A 134 134 SER CB C 347 62.207 62.810 -0.603 1 1 1366 . 15 1 1 A 134 134 SER N N 347 112.882 119.535 -6.653 1 1 1367 . 15 1 1 A 135 135 LEU H H 348 7.549 7.713 -0.164 1 1 1368 . 15 1 1 A 135 135 LEU HA H 348 4.466 4.271 0.195 1 1 1378 . 15 1 1 A 135 135 LEU C C 348 176.458 177.218 -0.760 1 1 1379 . 15 1 1 A 135 135 LEU CA C 348 53.787 56.084 -2.297 1 1 1380 . 15 1 1 A 135 135 LEU CB C 348 44.189 43.555 0.634 1 1 1384 . 15 1 1 A 135 135 LEU N N 348 118.501 116.449 2.052 1 1 1385 . 15 1 1 A 136 136 ALA H H 349 7.776 8.072 -0.296 1 1 1386 . 15 1 1 A 136 136 ALA HA H 349 4.056 4.101 -0.045 1 1 1390 . 15 1 1 A 136 136 ALA C C 349 178.620 177.376 1.244 1 1 1391 . 15 1 1 A 136 136 ALA CA C 349 54.406 53.356 1.050 1 1 1392 . 15 1 1 A 136 136 ALA CB C 349 17.934 17.851 0.083 1 1 1393 . 15 1 1 A 136 136 ALA N N 349 125.801 119.615 6.186 1 1 1394 . 15 1 1 A 137 137 GLY H H 350 9.371 8.574 0.797 1 1 1395 . 15 1 1 A 137 137 GLY C C 350 173.026 174.356 -1.330 1 1 1396 . 15 1 1 A 137 137 GLY CA C 350 45.132 46.030 -0.898 1 1 1397 . 15 1 1 A 137 137 GLY N N 350 111.181 103.163 8.018 1 1 1398 . 15 1 1 A 138 138 LYS H H 351 8.038 8.787 -0.749 1 1 1399 . 15 1 1 A 138 138 LYS HA H 351 4.660 4.335 0.325 1 1 1400 . 15 1 1 A 138 138 LYS C C 351 172.078 175.855 -3.777 1 1 1401 . 15 1 1 A 138 138 LYS CA C 351 52.728 58.252 -5.524 1 1 1402 . 15 1 1 A 138 138 LYS CB C 351 32.069 31.558 0.511 1 1 1404 . 15 1 1 A 138 138 LYS N N 351 119.821 114.336 5.485 1 1 1405 . 15 1 1 A 139 139 PRO HA H 352 4.300 4.750 -0.450 1 1 1412 . 15 1 1 A 139 139 PRO C C 352 173.954 175.684 -1.730 1 1 1413 . 15 1 1 A 139 139 PRO CA C 352 62.595 62.428 0.167 1 1 1414 . 15 1 1 A 139 139 PRO CB C 352 31.399 32.904 -1.505 1 1 1417 . 15 1 1 A 140 140 LYS H H 353 8.188 8.670 -0.482 1 1 1418 . 15 1 1 A 140 140 LYS HA H 353 4.610 5.055 -0.445 1 1 1419 . 15 1 1 A 140 140 LYS C C 353 173.494 174.006 -0.512 1 1 1420 . 15 1 1 A 140 140 LYS CA C 353 55.344 54.474 0.870 1 1 1421 . 15 1 1 A 140 140 LYS CB C 353 32.527 36.118 -3.591 1 1 1423 . 15 1 1 A 140 140 LYS N N 353 123.304 116.524 6.780 1 1 1424 . 15 1 1 A 141 141 VAL H H 354 8.344 8.120 0.224 1 1 1425 . 15 1 1 A 141 141 VAL HA H 354 4.533 4.866 -0.333 1 1 1433 . 15 1 1 A 141 141 VAL C C 354 172.277 174.561 -2.284 1 1 1434 . 15 1 1 A 141 141 VAL CA C 354 60.596 60.734 -0.138 1 1 1435 . 15 1 1 A 141 141 VAL CB C 354 33.580 35.084 -1.504 1 1 1438 . 15 1 1 A 141 141 VAL N N 354 122.550 120.201 2.349 1 1 1439 . 15 1 1 A 142 142 PHE H H 355 8.985 9.122 -0.137 1 1 1440 . 15 1 1 A 142 142 PHE HA H 355 5.436 4.868 0.568 1 1 1441 . 15 1 1 A 142 142 PHE C C 355 173.666 174.859 -1.193 1 1 1442 . 15 1 1 A 142 142 PHE CA C 355 54.968 56.126 -1.158 1 1 1443 . 15 1 1 A 142 142 PHE CB C 355 42.877 39.821 3.056 1 1 1444 . 15 1 1 A 142 142 PHE N N 355 123.850 125.193 -1.343 1 1 1445 . 15 1 1 A 143 143 PHE H H 356 8.584 8.724 -0.140 1 1 1446 . 15 1 1 A 143 143 PHE HA H 356 5.934 4.891 1.043 1 1 1449 . 15 1 1 A 143 143 PHE C C 356 174.526 175.716 -1.190 1 1 1450 . 15 1 1 A 143 143 PHE CA C 356 55.909 57.642 -1.733 1 1 1451 . 15 1 1 A 143 143 PHE CB C 356 39.923 38.169 1.754 1 1 1454 . 15 1 1 A 143 143 PHE N N 356 119.801 124.732 -4.931 1 1 1455 . 15 1 1 A 144 144 ILE H H 357 9.020 8.630 0.390 1 1 1456 . 15 1 1 A 144 144 ILE HA H 357 5.040 4.210 0.830 1 1 1466 . 15 1 1 A 144 144 ILE C C 357 173.323 176.443 -3.120 1 1 1467 . 15 1 1 A 144 144 ILE CA C 357 59.479 62.016 -2.537 1 1 1468 . 15 1 1 A 144 144 ILE CB C 357 40.898 39.046 1.852 1 1 1472 . 15 1 1 A 144 144 ILE N N 357 121.194 126.240 -5.046 1 1 1473 . 15 1 1 A 145 145 GLN H H 358 8.856 8.787 0.069 1 1 1474 . 15 1 1 A 145 145 GLN HA H 358 4.670 4.622 0.048 1 1 1475 . 15 1 1 A 145 145 GLN C C 358 171.591 177.216 -5.625 1 1 1476 . 15 1 1 A 145 145 GLN CA C 358 53.648 55.427 -1.779 1 1 1477 . 15 1 1 A 145 145 GLN CB C 358 30.373 28.925 1.448 1 1 1479 . 15 1 1 A 145 145 GLN N N 358 128.880 129.037 -0.157 1 1 1480 . 15 1 1 A 146 146 ALA H H 359 8.418 7.726 0.692 1 1 1481 . 15 1 1 A 146 146 ALA HA H 359 5.247 4.207 1.040 1 1 1485 . 15 1 1 A 146 146 ALA C C 359 175.319 177.894 -2.575 1 1 1486 . 15 1 1 A 146 146 ALA CA C 359 50.243 52.786 -2.543 1 1 1487 . 15 1 1 A 146 146 ALA CB C 359 18.786 18.527 0.259 1 1 1488 . 15 1 1 A 146 146 ALA N N 359 128.349 122.789 5.560 1 1 1489 . 15 1 1 A 147 147 ALA H H 360 8.161 7.879 0.282 1 1 1490 . 15 1 1 A 147 147 ALA HA H 360 4.343 4.484 -0.141 1 1 1494 . 15 1 1 A 147 147 ALA C C 360 177.238 177.538 -0.300 1 1 1495 . 15 1 1 A 147 147 ALA CA C 360 52.078 51.419 0.659 1 1 1496 . 15 1 1 A 147 147 ALA CB C 360 20.003 19.510 0.493 1 1 1497 . 15 1 1 A 147 147 ALA N N 360 123.005 120.658 2.347 1 1 1498 . 15 1 1 A 148 148 GLN H H 361 8.461 8.276 0.185 1 1 1499 . 15 1 1 A 148 148 GLN HA H 361 4.663 4.474 0.189 1 1 1504 . 15 1 1 A 148 148 GLN C C 361 176.333 176.477 -0.144 1 1 1505 . 15 1 1 A 148 148 GLN CA C 361 55.760 56.411 -0.651 1 1 1506 . 15 1 1 A 148 148 GLN CB C 361 29.937 30.531 -0.594 1 1 1508 . 15 1 1 A 148 148 GLN N N 361 120.296 117.581 2.715 1 1 1509 . 15 1 1 A 149 149 GLY H H 362 8.631 8.177 0.454 1 1 1510 . 15 1 1 A 149 149 GLY HA2 H 362 3.858 3.887 -0.029 1 1 1511 . 15 1 1 A 149 149 GLY HA3 H 362 3.858 3.900 -0.042 1 1 1512 . 15 1 1 A 149 149 GLY C C 362 172.022 174.528 -2.506 1 1 1513 . 15 1 1 A 149 149 GLY CA C 362 44.969 47.163 -2.194 1 1 1514 . 15 1 1 A 149 149 GLY N N 362 109.782 106.562 3.220 1 1 1515 . 15 1 1 A 150 150 ASP H H 363 7.566 8.335 -0.769 1 1 1516 . 15 1 1 A 150 150 ASP HA H 363 4.661 4.392 0.269 1 1 1519 . 15 1 1 A 150 150 ASP C C 363 174.446 176.194 -1.748 1 1 1520 . 15 1 1 A 150 150 ASP CA C 363 57.776 54.779 2.997 1 1 1521 . 15 1 1 A 150 150 ASP CB C 363 39.423 41.094 -1.671 1 1 1522 . 15 1 1 A 150 150 ASP N N 363 118.182 123.335 -5.153 1 1 1523 . 15 1 1 A 153 153 GLN HA H 366 4.665 4.825 -0.160 1 1 1530 . 15 1 1 A 153 153 GLN CA C 366 53.779 54.829 -1.050 1 1 1531 . 15 1 1 A 153 153 GLN CB C 366 28.988 29.411 -0.423 1 1 1534 . 15 1 1 A 155 155 GLY HA2 H 368 3.899 3.863 0.036 1 1 1535 . 15 1 1 A 155 155 GLY HA3 H 368 3.899 3.864 0.035 1 1 1536 . 15 1 1 A 155 155 GLY CA C 368 45.013 47.335 -2.322 1 1 1537 . 15 1 1 A 156 156 ILE H H 369 7.871 7.260 0.611 1 1 1538 . 15 1 1 A 156 156 ILE HA H 369 4.428 4.805 -0.377 1 1 1548 . 15 1 1 A 156 156 ILE C C 369 174.196 175.318 -1.122 1 1 1549 . 15 1 1 A 156 156 ILE CA C 369 58.676 57.431 1.245 1 1 1550 . 15 1 1 A 156 156 ILE CB C 369 38.516 40.456 -1.940 1 1 1554 . 15 1 1 A 156 156 ILE N N 369 120.958 114.340 6.618 1 1 1555 . 15 1 1 A 157 157 PRO HA H 370 4.386 4.575 -0.189 1 1 1562 . 15 1 1 A 157 157 PRO C C 370 176.218 176.958 -0.740 1 1 1563 . 15 1 1 A 157 157 PRO CA C 370 63.431 64.372 -0.941 1 1 1564 . 15 1 1 A 157 157 PRO CB C 370 31.913 32.045 -0.132 1 1 1567 . 15 1 1 A 158 158 VAL H H 371 8.137 8.016 0.121 1 1 1568 . 15 1 1 A 158 158 VAL HA H 371 4.089 4.134 -0.045 1 1 1576 . 15 1 1 A 158 158 VAL C C 371 175.904 176.043 -0.139 1 1 1577 . 15 1 1 A 158 158 VAL CA C 371 62.121 61.681 0.440 1 1 1578 . 15 1 1 A 158 158 VAL CB C 371 32.958 31.846 1.112 1 1 1581 . 15 1 1 A 158 158 VAL N N 371 119.640 117.301 2.339 1 1 1582 . 15 1 1 A 159 159 GLU H H 372 8.523 9.122 -0.599 1 1 1583 . 15 1 1 A 159 159 GLU HA H 372 4.345 4.445 -0.100 1 1 1588 . 15 1 1 A 159 159 GLU C C 372 176.068 175.937 0.131 1 1 1589 . 15 1 1 A 159 159 GLU CA C 372 56.474 56.903 -0.429 1 1 1590 . 15 1 1 A 159 159 GLU CB C 372 30.078 30.869 -0.791 1 1 1592 . 15 1 1 A 159 159 GLU N N 372 123.765 122.659 1.106 1 1 1593 . 15 1 1 A 160 160 THR H H 373 8.096 7.459 0.637 1 1 1594 . 15 1 1 A 160 160 THR HA H 373 4.311 4.511 -0.200 1 1 1599 . 15 1 1 A 160 160 THR C C 373 173.701 174.246 -0.545 1 1 1600 . 15 1 1 A 160 160 THR CA C 373 61.845 60.488 1.357 1 1 1601 . 15 1 1 A 160 160 THR CB C 373 69.760 70.452 -0.692 1 1 1603 . 15 1 1 A 160 160 THR N N 373 114.143 110.509 3.634 1 1 1604 . 15 1 1 A 161 161 ASP H H 374 8.387 8.979 -0.592 1 1 1605 . 15 1 1 A 161 161 ASP HA H 374 4.625 4.590 0.035 1 1 1608 . 15 1 1 A 161 161 ASP C C 374 175.806 177.630 -1.824 1 1 1609 . 15 1 1 A 161 161 ASP CA C 374 54.478 56.085 -1.607 1 1 1610 . 15 1 1 A 161 161 ASP CB C 374 41.096 40.971 0.125 1 1 1611 . 15 1 1 A 161 161 ASP N N 374 122.070 126.254 -4.184 1 1 1612 . 15 1 1 A 162 162 SER H H 375 8.175 7.864 0.311 1 1 1613 . 15 1 1 A 162 162 SER HA H 375 4.385 4.450 -0.065 1 1 1616 . 15 1 1 A 162 162 SER C C 375 174.169 174.409 -0.240 1 1 1617 . 15 1 1 A 162 162 SER CA C 375 58.631 60.045 -1.414 1 1 1618 . 15 1 1 A 162 162 SER CB C 375 63.814 63.754 0.060 1 1 1619 . 15 1 1 A 162 162 SER N N 375 115.346 112.930 2.416 1 1 1620 . 15 1 1 A 163 163 GLU H H 376 8.424 7.694 0.730 1 1 1621 . 15 1 1 A 163 163 GLU HA H 376 4.263 4.284 -0.021 1 1 1626 . 15 1 1 A 163 163 GLU C C 376 175.959 175.837 0.122 1 1 1627 . 15 1 1 A 163 163 GLU CA C 376 56.567 56.415 0.152 1 1 1628 . 15 1 1 A 163 163 GLU CB C 376 30.044 30.622 -0.578 1 1 1630 . 15 1 1 A 163 163 GLU N N 376 122.034 121.908 0.126 1 1 1631 . 15 1 1 A 164 164 GLU H H 377 8.298 8.861 -0.563 1 1 1632 . 15 1 1 A 164 164 GLU HA H 377 4.224 4.421 -0.197 1 1 1637 . 15 1 1 A 164 164 GLU C C 377 175.816 177.044 -1.228 1 1 1638 . 15 1 1 A 164 164 GLU CA C 377 56.489 55.368 1.121 1 1 1639 . 15 1 1 A 164 164 GLU CB C 377 30.220 30.504 -0.284 1 1 1641 . 15 1 1 A 164 164 GLU N N 377 120.980 124.021 -3.041 1 1 1642 . 15 1 1 A 165 165 GLN H H 378 8.340 8.414 -0.074 1 1 1643 . 15 1 1 A 165 165 GLN HA H 378 4.563 4.040 0.523 1 1 1645 . 15 1 1 A 165 165 GLN C C 378 173.510 176.425 -2.915 1 1 1646 . 15 1 1 A 165 165 GLN CA C 378 53.530 60.804 -7.274 1 1 1647 . 15 1 1 A 165 165 GLN CB C 378 28.816 26.832 1.984 1 1 1649 . 15 1 1 A 165 165 GLN N N 378 121.693 121.814 -0.121 1 1 1650 . 15 1 1 A 166 166 PRO HA H 379 4.381 4.728 -0.347 1 1 1657 . 15 1 1 A 166 166 PRO C C 379 176.081 175.844 0.237 1 1 1658 . 15 1 1 A 166 166 PRO CA C 379 63.260 62.438 0.822 1 1 1659 . 15 1 1 A 166 166 PRO CB C 379 32.010 33.116 -1.106 1 1 1662 . 15 1 1 A 167 167 TYR H H 380 8.116 8.979 -0.863 1 1 1663 . 15 1 1 A 167 167 TYR HA H 380 4.513 5.029 -0.516 1 1 1668 . 15 1 1 A 167 167 TYR C C 380 174.992 172.509 2.483 1 1 1669 . 15 1 1 A 167 167 TYR CA C 380 57.699 56.368 1.331 1 1 1670 . 15 1 1 A 167 167 TYR CB C 380 38.344 40.361 -2.017 1 1 1673 . 15 1 1 A 167 167 TYR N N 380 119.531 116.553 2.978 1 1 1674 . 15 1 1 A 168 168 LEU H H 381 7.953 8.256 -0.303 1 1 1675 . 15 1 1 A 168 168 LEU HA H 381 4.267 5.051 -0.784 1 1 1685 . 15 1 1 A 168 168 LEU C C 381 176.162 175.241 0.921 1 1 1686 . 15 1 1 A 168 168 LEU CA C 381 54.808 52.877 1.931 1 1 1687 . 15 1 1 A 168 168 LEU CB C 381 42.735 44.797 -2.062 1 1 1691 . 15 1 1 A 168 168 LEU N N 381 124.133 120.414 3.719 1 1 1692 . 15 1 1 A 169 169 GLU H H 382 8.190 8.954 -0.764 1 1 1693 . 15 1 1 A 169 169 GLU HA H 382 4.167 4.958 -0.791 1 1 1698 . 15 1 1 A 169 169 GLU C C 382 175.881 174.609 1.272 1 1 1699 . 15 1 1 A 169 169 GLU CA C 382 56.655 54.642 2.013 1 1 1700 . 15 1 1 A 169 169 GLU CB C 382 30.058 33.300 -3.242 1 1 1702 . 15 1 1 A 169 169 GLU N N 382 121.131 119.149 1.982 1 1 1703 . 15 1 1 A 170 170 MET H H 383 8.214 8.475 -0.261 1 1 1704 . 15 1 1 A 170 170 MET HA H 383 4.377 5.031 -0.654 1 1 1709 . 15 1 1 A 170 170 MET C C 383 175.132 174.065 1.067 1 1 1710 . 15 1 1 A 170 170 MET CA C 383 55.606 54.414 1.192 1 1 1711 . 15 1 1 A 170 170 MET CB C 383 33.091 37.370 -4.279 1 1 1713 . 15 1 1 A 170 170 MET N N 383 120.601 120.265 0.336 1 1 1714 . 15 1 1 A 171 171 ASP H H 384 8.358 8.776 -0.418 1 1 1715 . 15 1 1 A 171 171 ASP HA H 384 4.575 5.436 -0.861 1 1 1718 . 15 1 1 A 171 171 ASP C C 384 175.966 174.916 1.050 1 1 1719 . 15 1 1 A 171 171 ASP CA C 384 53.741 52.992 0.749 1 1 1720 . 15 1 1 A 171 171 ASP CB C 384 40.571 45.444 -4.873 1 1 1721 . 15 1 1 A 171 171 ASP N N 384 121.104 121.287 -0.183 1 1 1722 . 15 1 1 A 172 172 LEU H H 385 8.285 8.530 -0.245 1 1 1723 . 15 1 1 A 172 172 LEU HA H 385 4.305 4.739 -0.434 1 1 1733 . 15 1 1 A 172 172 LEU C C 385 177.140 176.305 0.835 1 1 1734 . 15 1 1 A 172 172 LEU CA C 385 55.122 54.714 0.408 1 1 1735 . 15 1 1 A 172 172 LEU CB C 385 41.851 44.452 -2.601 1 1 1739 . 15 1 1 A 172 172 LEU N N 385 123.115 122.375 0.740 1 1 1740 . 15 1 1 A 173 173 SER H H 386 8.290 8.854 -0.564 1 1 1741 . 15 1 1 A 173 173 SER N N 386 115.101 120.244 -5.143 1 1 1742 . 15 1 1 A 176 176 GLN HA H 389 4.383 4.293 0.090 1 1 1749 . 15 1 1 A 176 176 GLN CA C 389 55.991 58.583 -2.592 1 1 1750 . 15 1 1 A 176 176 GLN CB C 389 29.280 29.400 -0.120 1 1 1753 . 15 1 1 A 177 177 THR H H 390 6.958 7.875 -0.917 1 1 1754 . 15 1 1 A 177 177 THR HA H 390 3.970 4.909 -0.939 1 1 1759 . 15 1 1 A 177 177 THR C C 390 172.764 173.039 -0.275 1 1 1760 . 15 1 1 A 177 177 THR CA C 390 62.221 60.815 1.406 1 1 1761 . 15 1 1 A 177 177 THR CB C 390 69.382 71.535 -2.153 1 1 1763 . 15 1 1 A 177 177 THR N N 390 115.463 108.810 6.653 1 1 1764 . 15 1 1 A 178 178 ARG H H 391 7.873 8.624 -0.751 1 1 1765 . 15 1 1 A 178 178 ARG C C 391 174.982 174.669 0.313 1 1 1766 . 15 1 1 A 178 178 ARG CA C 391 55.266 54.372 0.894 1 1 1767 . 15 1 1 A 178 178 ARG CB C 391 31.052 34.017 -2.965 1 1 1769 . 15 1 1 A 178 178 ARG N N 391 122.116 120.605 1.511 1 1 1770 . 15 1 1 A 179 179 TYR H H 392 8.812 8.907 -0.095 1 1 1771 . 15 1 1 A 179 179 TYR HA H 392 4.621 5.128 -0.507 1 1 1776 . 15 1 1 A 179 179 TYR C C 392 174.337 173.610 0.727 1 1 1777 . 15 1 1 A 179 179 TYR CA C 392 57.444 57.806 -0.362 1 1 1778 . 15 1 1 A 179 179 TYR CB C 392 40.623 42.122 -1.499 1 1 1781 . 15 1 1 A 179 179 TYR N N 392 118.296 121.130 -2.834 1 1 1782 . 15 1 1 A 180 180 ILE H H 393 7.254 8.199 -0.945 1 1 1783 . 15 1 1 A 180 180 ILE HA H 393 4.610 4.653 -0.043 1 1 1793 . 15 1 1 A 180 180 ILE C C 393 171.654 173.221 -1.567 1 1 1794 . 15 1 1 A 180 180 ILE CA C 393 56.916 56.844 0.072 1 1 1795 . 15 1 1 A 180 180 ILE CB C 393 39.736 40.511 -0.775 1 1 1799 . 15 1 1 A 180 180 ILE N N 393 108.609 121.183 -12.574 1 1 1800 . 15 1 1 A 181 181 PRO HA H 394 4.709 4.510 0.199 1 1 1807 . 15 1 1 A 181 181 PRO C C 394 173.910 175.832 -1.922 1 1 1808 . 15 1 1 A 181 181 PRO CA C 394 62.144 62.580 -0.436 1 1 1809 . 15 1 1 A 181 181 PRO CB C 394 32.527 33.024 -0.497 1 1 1812 . 15 1 1 A 182 182 ASP H H 395 8.296 8.532 -0.236 1 1 1813 . 15 1 1 A 182 182 ASP HA H 395 4.665 4.808 -0.143 1 1 1816 . 15 1 1 A 182 182 ASP C C 395 175.120 176.321 -1.201 1 1 1817 . 15 1 1 A 182 182 ASP CA C 395 52.455 53.526 -1.071 1 1 1818 . 15 1 1 A 182 182 ASP CB C 395 38.742 41.080 -2.338 1 1 1819 . 15 1 1 A 182 182 ASP N N 395 120.042 121.410 -1.368 1 1 1820 . 15 1 1 A 183 183 GLU H H 396 7.651 7.902 -0.251 1 1 1821 . 15 1 1 A 183 183 GLU HA H 396 4.492 4.504 -0.012 1 1 1826 . 15 1 1 A 183 183 GLU C C 396 173.702 176.290 -2.588 1 1 1827 . 15 1 1 A 183 183 GLU CA C 396 54.897 55.947 -1.050 1 1 1828 . 15 1 1 A 183 183 GLU CB C 396 32.509 31.558 0.951 1 1 1830 . 15 1 1 A 183 183 GLU N N 396 117.840 119.271 -1.431 1 1 1831 . 15 1 1 A 184 184 ALA H H 397 8.365 8.384 -0.019 1 1 1832 . 15 1 1 A 184 184 ALA HA H 397 4.394 4.661 -0.267 1 1 1836 . 15 1 1 A 184 184 ALA C C 397 175.829 177.304 -1.475 1 1 1837 . 15 1 1 A 184 184 ALA CA C 397 52.770 50.913 1.857 1 1 1838 . 15 1 1 A 184 184 ALA CB C 397 20.682 19.963 0.719 1 1 1839 . 15 1 1 A 184 184 ALA N N 397 121.613 121.764 -0.151 1 1 1840 . 15 1 1 A 185 185 ASP H H 398 7.245 7.925 -0.680 1 1 1841 . 15 1 1 A 185 185 ASP HA H 398 4.092 4.644 -0.552 1 1 1844 . 15 1 1 A 185 185 ASP C C 398 172.730 174.199 -1.469 1 1 1845 . 15 1 1 A 185 185 ASP CA C 398 56.144 53.671 2.473 1 1 1846 . 15 1 1 A 185 185 ASP CB C 398 39.841 41.857 -2.016 1 1 1847 . 15 1 1 A 185 185 ASP N N 398 105.829 117.481 -11.652 1 1 1848 . 15 1 1 A 186 186 PHE H H 399 8.467 7.614 0.853 1 1 1849 . 15 1 1 A 186 186 PHE HA H 399 5.486 5.173 0.313 1 1 1852 . 15 1 1 A 186 186 PHE C C 399 176.218 174.270 1.948 1 1 1853 . 15 1 1 A 186 186 PHE CA C 399 57.959 56.370 1.589 1 1 1854 . 15 1 1 A 186 186 PHE CB C 399 44.529 43.181 1.348 1 1 1855 . 15 1 1 A 186 186 PHE N N 399 116.177 118.239 -2.062 1 1 1856 . 15 1 1 A 187 187 LEU H H 400 8.964 9.072 -0.108 1 1 1857 . 15 1 1 A 187 187 LEU HA H 400 4.963 5.015 -0.052 1 1 1867 . 15 1 1 A 187 187 LEU C C 400 171.747 175.643 -3.896 1 1 1868 . 15 1 1 A 187 187 LEU CA C 400 55.422 53.925 1.497 1 1 1869 . 15 1 1 A 187 187 LEU CB C 400 45.641 44.939 0.702 1 1 1873 . 15 1 1 A 187 187 LEU N N 400 121.383 123.985 -2.602 1 1 1874 . 15 1 1 A 188 188 LEU H H 401 9.312 8.839 0.473 1 1 1875 . 15 1 1 A 188 188 LEU HA H 401 5.580 4.616 0.964 1 1 1885 . 15 1 1 A 188 188 LEU C C 401 173.853 177.842 -3.989 1 1 1886 . 15 1 1 A 188 188 LEU CA C 401 53.421 54.273 -0.852 1 1 1887 . 15 1 1 A 188 188 LEU CB C 401 45.403 42.426 2.977 1 1 1891 . 15 1 1 A 188 188 LEU N N 401 128.151 127.342 0.809 1 1 1892 . 15 1 1 A 189 189 GLY H H 402 9.415 8.829 0.586 1 1 1893 . 15 1 1 A 189 189 GLY HA2 H 402 4.670 4.054 0.616 1 1 1894 . 15 1 1 A 189 189 GLY HA3 H 402 3.663 4.151 -0.488 1 1 1895 . 15 1 1 A 189 189 GLY C C 402 171.014 174.231 -3.217 1 1 1896 . 15 1 1 A 189 189 GLY CA C 402 44.967 45.656 -0.689 1 1 1897 . 15 1 1 A 189 189 GLY N N 402 115.881 113.784 2.097 1 1 1898 . 15 1 1 A 190 190 MET H H 403 8.118 7.857 0.261 1 1 1899 . 15 1 1 A 190 190 MET HA H 403 5.314 4.563 0.751 1 1 1907 . 15 1 1 A 190 190 MET C C 403 173.744 176.874 -3.130 1 1 1908 . 15 1 1 A 190 190 MET CA C 403 53.284 55.214 -1.930 1 1 1909 . 15 1 1 A 190 190 MET CB C 403 36.614 33.083 3.531 1 1 1912 . 15 1 1 A 190 190 MET N N 403 122.165 120.996 1.169 1 1 1934 . 15 1 1 A 203 203 ALA H H 416 8.076 8.597 -0.521 1 1 1935 . 15 1 1 A 203 203 ALA HA H 416 4.228 4.717 -0.489 1 1 1939 . 15 1 1 A 203 203 ALA C C 416 176.895 175.644 1.251 1 1 1940 . 15 1 1 A 203 203 ALA CA C 416 52.743 50.968 1.775 1 1 1941 . 15 1 1 A 203 203 ALA CB C 416 18.723 19.348 -0.625 1 1 1942 . 15 1 1 A 203 203 ALA N N 416 119.053 126.943 -7.890 1 1 1943 . 15 1 1 A 204 204 GLU H H 417 7.784 8.679 -0.895 1 1 1944 . 15 1 1 A 204 204 GLU HA H 417 4.350 5.052 -0.702 1 1 1949 . 15 1 1 A 204 204 GLU C C 417 175.678 174.843 0.835 1 1 1950 . 15 1 1 A 204 204 GLU CA C 417 55.650 55.750 -0.100 1 1 1951 . 15 1 1 A 204 204 GLU CB C 417 30.312 32.122 -1.810 1 1 1953 . 15 1 1 A 204 204 GLU N N 417 116.458 119.010 -2.552 1 1 1954 . 15 1 1 A 205 205 GLY H H 418 7.910 9.013 -1.103 1 1 1955 . 15 1 1 A 205 205 GLY CA C 418 43.804 43.769 0.035 1 1 1956 . 15 1 1 A 205 205 GLY N N 418 108.024 110.254 -2.230 1 1 1957 . 15 1 1 A 206 206 THR H H 419 8.364 8.286 0.078 1 1 1958 . 15 1 1 A 206 206 THR HA H 419 4.316 4.686 -0.370 1 1 1963 . 15 1 1 A 206 206 THR CA C 419 64.682 59.598 5.084 1 1 1964 . 15 1 1 A 206 206 THR CB C 419 69.304 71.590 -2.286 1 1 1966 . 15 1 1 A 206 206 THR N N 419 115.417 111.023 4.394 1 1 1967 . 15 1 1 A 207 207 TRP HA H 420 4.116 4.458 -0.342 1 1 1976 . 15 1 1 A 207 207 TRP CA C 420 61.178 56.475 4.703 1 1 1977 . 15 1 1 A 207 207 TRP CB C 420 28.670 29.698 -1.028 1 1 1984 . 15 1 1 A 209 209 ILE H H 422 6.744 7.848 -1.104 1 1 1985 . 15 1 1 A 209 209 ILE HA H 422 3.349 3.899 -0.550 1 1 1993 . 15 1 1 A 209 209 ILE C C 422 178.143 177.746 0.397 1 1 1994 . 15 1 1 A 209 209 ILE CA C 422 60.865 64.240 -3.375 1 1 1995 . 15 1 1 A 209 209 ILE CB C 422 34.371 37.233 -2.862 1 1 1999 . 15 1 1 A 209 209 ILE N N 422 113.211 120.523 -7.312 1 1 2000 . 15 1 1 A 210 210 GLN H H 423 8.252 8.146 0.106 1 1 2001 . 15 1 1 A 210 210 GLN HA H 423 3.548 4.050 -0.502 1 1 2006 . 15 1 1 A 210 210 GLN C C 423 179.079 177.442 1.637 1 1 2007 . 15 1 1 A 210 210 GLN CA C 423 58.795 58.979 -0.184 1 1 2008 . 15 1 1 A 210 210 GLN CB C 423 26.704 28.461 -1.757 1 1 2010 . 15 1 1 A 210 210 GLN N N 423 116.455 119.648 -3.193 1 1 2011 . 15 1 1 A 211 211 SER H H 424 8.162 7.950 0.212 1 1 2012 . 15 1 1 A 211 211 SER HA H 424 3.961 4.521 -0.560 1 1 2015 . 15 1 1 A 211 211 SER C C 424 179.150 175.866 3.284 1 1 2016 . 15 1 1 A 211 211 SER CA C 424 61.850 58.303 3.547 1 1 2017 . 15 1 1 A 211 211 SER CB C 424 62.214 64.112 -1.898 1 1 2018 . 15 1 1 A 211 211 SER N N 424 115.041 111.721 3.320 1 1 2019 . 15 1 1 A 212 212 LEU H H 425 8.061 7.950 0.111 1 1 2020 . 15 1 1 A 212 212 LEU HA H 425 3.540 4.002 -0.462 1 1 2030 . 15 1 1 A 212 212 LEU C C 425 177.566 178.003 -0.437 1 1 2031 . 15 1 1 A 212 212 LEU CA C 425 58.548 57.967 0.581 1 1 2032 . 15 1 1 A 212 212 LEU CB C 425 41.665 41.644 0.021 1 1 2036 . 15 1 1 A 212 212 LEU N N 425 124.082 123.288 0.794 1 1 2037 . 15 1 1 A 213 213 CYS H H 426 7.940 8.201 -0.261 1 1 2038 . 15 1 1 A 213 213 CYS HA H 426 3.628 4.143 -0.515 1 1 2041 . 15 1 1 A 213 213 CYS C C 426 175.741 175.409 0.332 1 1 2042 . 15 1 1 A 213 213 CYS CA C 426 65.159 60.381 4.778 1 1 2043 . 15 1 1 A 213 213 CYS CB C 426 49.251 26.894 22.357 1 1 2044 . 15 1 1 A 213 213 CYS N N 426 114.351 117.848 -3.497 1 1 2045 . 15 1 1 A 214 214 GLN H H 427 7.510 7.944 -0.434 1 1 2046 . 15 1 1 A 214 214 GLN HA H 427 3.772 4.426 -0.654 1 1 2051 . 15 1 1 A 214 214 GLN C C 427 177.769 177.920 -0.151 1 1 2052 . 15 1 1 A 214 214 GLN CA C 427 59.019 57.389 1.630 1 1 2053 . 15 1 1 A 214 214 GLN CB C 427 27.718 29.925 -2.207 1 1 2055 . 15 1 1 A 214 214 GLN N N 427 117.399 118.537 -1.138 1 1 2056 . 15 1 1 A 215 215 SER H H 428 7.906 8.489 -0.583 1 1 2057 . 15 1 1 A 215 215 SER HA H 428 4.173 4.066 0.107 1 1 2060 . 15 1 1 A 215 215 SER CA C 428 62.653 62.432 0.221 1 1 2061 . 15 1 1 A 215 215 SER CB C 428 62.889 63.113 -0.224 1 1 2062 . 15 1 1 A 215 215 SER N N 428 113.799 117.248 -3.449 1 1 2063 . 15 1 1 A 216 216 LEU H H 429 8.505 7.733 0.772 1 1 2064 . 15 1 1 A 216 216 LEU HA H 429 4.156 3.867 0.289 1 1 2071 . 15 1 1 A 216 216 LEU C C 429 178.848 178.169 0.679 1 1 2072 . 15 1 1 A 216 216 LEU CA C 429 58.053 58.133 -0.080 1 1 2073 . 15 1 1 A 216 216 LEU CB C 429 41.222 41.506 -0.284 1 1 2076 . 15 1 1 A 216 216 LEU N N 429 121.357 119.818 1.539 1 1 2077 . 15 1 1 A 217 217 ARG H H 430 7.972 8.486 -0.514 1 1 2078 . 15 1 1 A 217 217 ARG HA H 430 3.850 3.929 -0.079 1 1 2085 . 15 1 1 A 217 217 ARG C C 430 178.237 177.657 0.580 1 1 2086 . 15 1 1 A 217 217 ARG CA C 430 59.472 58.934 0.538 1 1 2087 . 15 1 1 A 217 217 ARG CB C 430 30.256 29.779 0.477 1 1 2090 . 15 1 1 A 217 217 ARG N N 430 116.018 120.506 -4.488 1 1 2091 . 15 1 1 A 218 218 GLU H H 431 7.583 8.033 -0.450 1 1 2092 . 15 1 1 A 218 218 GLU HA H 431 4.119 4.172 -0.053 1 1 2096 . 15 1 1 A 218 218 GLU C C 431 178.377 177.639 0.738 1 1 2097 . 15 1 1 A 218 218 GLU CA C 431 58.207 58.232 -0.025 1 1 2098 . 15 1 1 A 218 218 GLU CB C 431 30.548 29.360 1.188 1 1 2100 . 15 1 1 A 218 218 GLU N N 431 113.645 118.167 -4.522 1 1 2101 . 15 1 1 A 219 219 ARG H H 432 8.621 7.675 0.946 1 1 2102 . 15 1 1 A 219 219 ARG HA H 432 4.180 4.605 -0.425 1 1 2103 . 15 1 1 A 219 219 ARG C C 432 178.455 176.449 2.006 1 1 2104 . 15 1 1 A 219 219 ARG CA C 432 58.428 55.291 3.137 1 1 2105 . 15 1 1 A 219 219 ARG CB C 432 30.936 30.950 -0.014 1 1 2107 . 15 1 1 A 219 219 ARG N N 432 114.272 117.322 -3.050 1 1 2108 . 15 1 1 A 220 220 CYS H H 433 8.828 8.000 0.828 1 1 2109 . 15 1 1 A 220 220 CYS HA H 433 4.464 4.258 0.206 1 1 2112 . 15 1 1 A 220 220 CYS C C 433 176.708 175.645 1.063 1 1 2113 . 15 1 1 A 220 220 CYS CA C 433 66.312 63.768 2.544 1 1 2114 . 15 1 1 A 220 220 CYS CB C 433 47.095 27.012 20.083 1 1 2115 . 15 1 1 A 220 220 CYS N N 433 120.012 118.902 1.110 1 1 2116 . 15 1 1 A 221 221 PRO HA H 434 4.463 4.689 -0.226 1 1 2123 . 15 1 1 A 221 221 PRO C C 434 177.064 175.746 1.318 1 1 2124 . 15 1 1 A 221 221 PRO CA C 434 65.717 62.394 3.323 1 1 2125 . 15 1 1 A 221 221 PRO CB C 434 31.169 29.393 1.776 1 1 2128 . 15 1 1 A 222 222 ARG H H 435 6.904 8.895 -1.991 1 1 2129 . 15 1 1 A 222 222 ARG HA H 435 4.331 4.559 -0.228 1 1 2136 . 15 1 1 A 222 222 ARG C C 435 176.536 176.821 -0.285 1 1 2137 . 15 1 1 A 222 222 ARG CA C 435 55.901 56.629 -0.728 1 1 2138 . 15 1 1 A 222 222 ARG CB C 435 30.116 32.674 -2.558 1 1 2141 . 15 1 1 A 222 222 ARG N N 435 112.486 121.177 -8.691 1 1 2142 . 15 1 1 A 223 223 GLY H H 436 8.160 8.296 -0.136 1 1 2143 . 15 1 1 A 223 223 GLY HA2 H 436 4.237 4.011 0.226 1 1 2144 . 15 1 1 A 223 223 GLY HA3 H 436 3.643 4.019 -0.376 1 1 2145 . 15 1 1 A 223 223 GLY C C 436 173.338 173.339 -0.001 1 1 2146 . 15 1 1 A 223 223 GLY CA C 436 43.988 45.473 -1.485 1 1 2147 . 15 1 1 A 223 223 GLY N N 436 105.931 106.292 -0.361 1 1 2148 . 15 1 1 A 224 224 ASP H H 437 6.891 7.912 -1.021 1 1 2149 . 15 1 1 A 224 224 ASP HA H 437 4.500 5.257 -0.757 1 1 2151 . 15 1 1 A 224 224 ASP C C 437 173.806 173.989 -0.183 1 1 2152 . 15 1 1 A 224 224 ASP CA C 437 54.576 53.032 1.544 1 1 2153 . 15 1 1 A 224 224 ASP CB C 437 40.588 44.753 -4.165 1 1 2154 . 15 1 1 A 224 224 ASP N N 437 119.342 119.122 0.220 1 1 2155 . 15 1 1 A 225 225 ASP H H 438 8.054 8.875 -0.821 1 1 2156 . 15 1 1 A 225 225 ASP HA H 438 4.912 4.858 0.054 1 1 2159 . 15 1 1 A 225 225 ASP C C 438 175.631 176.604 -0.973 1 1 2160 . 15 1 1 A 225 225 ASP CA C 438 52.579 54.486 -1.907 1 1 2161 . 15 1 1 A 225 225 ASP CB C 438 42.616 41.361 1.255 1 1 2162 . 15 1 1 A 225 225 ASP N N 438 117.877 124.029 -6.152 1 1 2163 . 15 1 1 A 226 226 ILE H H 439 9.101 8.647 0.454 1 1 2164 . 15 1 1 A 226 226 ILE HA H 439 3.621 3.913 -0.292 1 1 2174 . 15 1 1 A 226 226 ILE C C 439 176.146 177.814 -1.668 1 1 2175 . 15 1 1 A 226 226 ILE CA C 439 62.602 63.846 -1.244 1 1 2176 . 15 1 1 A 226 226 ILE CB C 439 36.530 37.938 -1.408 1 1 2180 . 15 1 1 A 226 226 ILE N N 439 118.352 122.829 -4.477 1 1 2181 . 15 1 1 A 227 227 LEU H H 440 7.814 7.914 -0.100 1 1 2182 . 15 1 1 A 227 227 LEU HA H 440 3.918 4.046 -0.128 1 1 2192 . 15 1 1 A 227 227 LEU C C 440 179.397 178.739 0.658 1 1 2193 . 15 1 1 A 227 227 LEU CA C 440 58.566 57.544 1.022 1 1 2194 . 15 1 1 A 227 227 LEU CB C 440 40.819 41.625 -0.806 1 1 2198 . 15 1 1 A 227 227 LEU N N 440 119.906 120.868 -0.962 1 1 2199 . 15 1 1 A 228 228 THR H H 441 7.665 8.015 -0.350 1 1 2200 . 15 1 1 A 228 228 THR HA H 441 4.289 4.296 -0.007 1 1 2205 . 15 1 1 A 228 228 THR C C 441 179.489 176.553 2.936 1 1 2206 . 15 1 1 A 228 228 THR CA C 441 61.837 64.428 -2.591 1 1 2207 . 15 1 1 A 228 228 THR CB C 441 69.979 69.341 0.638 1 1 2209 . 15 1 1 A 228 228 THR N N 441 120.011 113.487 6.524 1 1 2210 . 15 1 1 A 229 229 ILE H H 442 7.807 8.136 -0.329 1 1 2211 . 15 1 1 A 229 229 ILE HA H 442 3.300 3.466 -0.166 1 1 2221 . 15 1 1 A 229 229 ILE C C 442 177.728 178.354 -0.626 1 1 2222 . 15 1 1 A 229 229 ILE CA C 442 66.069 65.145 0.924 1 1 2223 . 15 1 1 A 229 229 ILE CB C 442 38.260 37.949 0.311 1 1 2227 . 15 1 1 A 229 229 ILE N N 442 119.411 121.488 -2.077 1 1 2228 . 15 1 1 A 230 230 LEU H H 443 8.530 8.186 0.344 1 1 2229 . 15 1 1 A 230 230 LEU HA H 443 3.958 4.006 -0.048 1 1 2239 . 15 1 1 A 230 230 LEU C C 443 178.689 178.240 0.449 1 1 2240 . 15 1 1 A 230 230 LEU CA C 443 57.697 57.446 0.251 1 1 2241 . 15 1 1 A 230 230 LEU CB C 443 42.191 41.455 0.736 1 1 2245 . 15 1 1 A 230 230 LEU N N 443 116.186 119.145 -2.959 1 1 2246 . 15 1 1 A 231 231 THR H H 444 8.008 7.636 0.372 1 1 2247 . 15 1 1 A 231 231 THR HA H 444 4.153 4.384 -0.231 1 1 2252 . 15 1 1 A 231 231 THR C C 444 175.208 176.387 -1.179 1 1 2253 . 15 1 1 A 231 231 THR CA C 444 65.327 62.996 2.331 1 1 2254 . 15 1 1 A 231 231 THR CB C 444 69.718 69.736 -0.018 1 1 2256 . 15 1 1 A 231 231 THR N N 444 112.075 111.089 0.986 1 1 2257 . 15 1 1 A 232 232 GLU H H 445 7.717 8.259 -0.542 1 1 2258 . 15 1 1 A 232 232 GLU HA H 445 4.186 3.965 0.221 1 1 2259 . 15 1 1 A 232 232 GLU C C 445 177.156 178.454 -1.298 1 1 2260 . 15 1 1 A 232 232 GLU CA C 445 57.891 59.161 -1.270 1 1 2261 . 15 1 1 A 232 232 GLU CB C 445 28.836 29.201 -0.365 1 1 2263 . 15 1 1 A 232 232 GLU N N 445 120.074 121.305 -1.231 1 1 2294 . 15 1 1 A 252 252 GLN H H 465 8.586 8.005 0.581 1 1 2295 . 15 1 1 A 252 252 GLN HA H 465 4.689 3.999 0.690 1 1 2296 . 15 1 1 A 252 252 GLN C C 465 174.446 173.997 0.449 1 1 2297 . 15 1 1 A 252 252 GLN CA C 465 53.682 56.401 -2.719 1 1 2298 . 15 1 1 A 252 252 GLN CB C 465 28.537 27.402 1.135 1 1 2300 . 15 1 1 A 252 252 GLN N N 465 121.782 115.925 5.857 1 1 2301 . 15 1 1 A 253 253 PRO HA H 466 4.902 4.704 0.198 1 1 2302 . 15 1 1 A 253 253 PRO C C 466 174.937 176.810 -1.873 1 1 2303 . 15 1 1 A 253 253 PRO CA C 466 63.075 62.931 0.144 1 1 2304 . 15 1 1 A 253 253 PRO CB C 466 32.384 32.921 -0.537 1 1 2307 . 15 1 1 A 254 254 THR H H 467 8.556 8.315 0.241 1 1 2308 . 15 1 1 A 254 254 THR HA H 467 4.659 4.644 0.015 1 1 2313 . 15 1 1 A 254 254 THR C C 467 172.995 174.923 -1.928 1 1 2314 . 15 1 1 A 254 254 THR CA C 467 61.740 61.516 0.224 1 1 2315 . 15 1 1 A 254 254 THR CB C 467 70.195 69.942 0.253 1 1 2317 . 15 1 1 A 254 254 THR N N 467 115.754 112.355 3.399 1 1 2318 . 15 1 1 A 255 255 PHE H H 468 8.560 8.023 0.537 1 1 2319 . 15 1 1 A 255 255 PHE HA H 468 5.502 4.426 1.076 1 1 2322 . 15 1 1 A 255 255 PHE C C 468 173.198 175.342 -2.144 1 1 2323 . 15 1 1 A 255 255 PHE CA C 468 56.283 57.832 -1.549 1 1 2324 . 15 1 1 A 255 255 PHE CB C 468 43.426 39.439 3.987 1 1 2325 . 15 1 1 A 255 255 PHE N N 468 120.481 122.699 -2.218 1 1 2326 . 15 1 1 A 256 256 THR H H 469 9.702 8.240 1.462 1 1 2327 . 15 1 1 A 256 256 THR HA H 469 4.662 4.690 -0.028 1 1 2332 . 15 1 1 A 256 256 THR C C 469 176.561 172.993 3.568 1 1 2333 . 15 1 1 A 256 256 THR CA C 469 59.948 59.835 0.113 1 1 2334 . 15 1 1 A 256 256 THR CB C 469 69.145 68.891 0.254 1 1 2336 . 15 1 1 A 256 256 THR N N 469 108.601 112.914 -4.313 1 1 2337 . 15 1 1 A 257 257 LEU H H 470 7.235 8.557 -1.322 1 1 2338 . 15 1 1 A 257 257 LEU HA H 470 4.401 5.208 -0.807 1 1 2348 . 15 1 1 A 257 257 LEU C C 470 175.975 176.653 -0.678 1 1 2349 . 15 1 1 A 257 257 LEU CA C 470 55.492 53.484 2.008 1 1 2350 . 15 1 1 A 257 257 LEU CB C 470 41.850 45.613 -3.763 1 1 2354 . 15 1 1 A 257 257 LEU N N 470 120.802 126.540 -5.738 1 1 2355 . 15 1 1 A 258 258 ARG H H 471 8.228 8.250 -0.022 1 1 2356 . 15 1 1 A 258 258 ARG HA H 471 4.631 4.296 0.335 1 1 2363 . 15 1 1 A 258 258 ARG C C 471 174.114 175.757 -1.643 1 1 2364 . 15 1 1 A 258 258 ARG CA C 471 55.071 57.159 -2.088 1 1 2365 . 15 1 1 A 258 258 ARG CB C 471 32.470 30.932 1.538 1 1 2368 . 15 1 1 A 258 258 ARG N N 471 118.883 121.539 -2.656 1 1 2369 . 15 1 1 A 259 259 LYS H H 472 7.217 7.573 -0.356 1 1 2370 . 15 1 1 A 259 259 LYS HA H 472 4.260 4.692 -0.432 1 1 2379 . 15 1 1 A 259 259 LYS C C 472 174.571 174.981 -0.410 1 1 2380 . 15 1 1 A 259 259 LYS CA C 472 53.269 54.450 -1.181 1 1 2381 . 15 1 1 A 259 259 LYS CB C 472 36.332 36.655 -0.323 1 1 2385 . 15 1 1 A 259 259 LYS N N 472 116.031 117.881 -1.850 1 1 2386 . 15 1 1 A 260 260 LYS H H 473 8.357 8.431 -0.074 1 1 2387 . 15 1 1 A 260 260 LYS HA H 473 4.297 4.327 -0.030 1 1 2396 . 15 1 1 A 260 260 LYS C C 473 174.137 175.737 -1.600 1 1 2397 . 15 1 1 A 260 260 LYS CA C 473 57.258 56.993 0.265 1 1 2398 . 15 1 1 A 260 260 LYS CB C 473 33.561 33.042 0.519 1 1 2402 . 15 1 1 A 260 260 LYS N N 473 119.377 122.227 -2.850 1 1 2403 . 15 1 1 A 261 261 LEU H H 474 9.288 8.770 0.518 1 1 2404 . 15 1 1 A 261 261 LEU HA H 474 5.048 4.720 0.328 1 1 2414 . 15 1 1 A 261 261 LEU C C 474 172.558 175.756 -3.198 1 1 2415 . 15 1 1 A 261 261 LEU CA C 474 53.327 53.708 -0.381 1 1 2416 . 15 1 1 A 261 261 LEU CB C 474 44.313 43.003 1.310 1 1 2420 . 15 1 1 A 261 261 LEU N N 474 126.482 127.328 -0.846 1 1 2421 . 15 1 1 A 262 262 VAL H H 475 8.876 7.487 1.389 1 1 2422 . 15 1 1 A 262 262 VAL HA H 475 4.238 4.342 -0.104 1 1 2430 . 15 1 1 A 262 262 VAL C C 475 174.243 175.636 -1.393 1 1 2431 . 15 1 1 A 262 262 VAL CA C 475 59.734 63.437 -3.703 1 1 2432 . 15 1 1 A 262 262 VAL CB C 475 34.790 31.282 3.508 1 1 2435 . 15 1 1 A 262 262 VAL N N 475 124.316 122.275 2.041 1 1 2436 . 15 1 1 A 263 263 PHE H H 476 8.826 8.900 -0.074 1 1 2437 . 15 1 1 A 263 263 PHE HA H 476 5.518 4.358 1.160 1 1 2443 . 15 1 1 A 263 263 PHE C C 476 171.887 176.364 -4.477 1 1 2444 . 15 1 1 A 263 263 PHE CA C 476 52.082 61.595 -9.513 1 1 2445 . 15 1 1 A 263 263 PHE CB C 476 39.792 39.174 0.618 1 1 2449 . 15 1 1 A 263 263 PHE N N 476 122.867 127.867 -5.000 1 1 2450 . 15 1 1 A 264 264 PRO HA H 477 4.649 4.747 -0.098 1 1 2457 . 15 1 1 A 264 264 PRO C C 477 178.322 177.666 0.656 1 1 2458 . 15 1 1 A 264 264 PRO CA C 477 62.333 62.475 -0.142 1 1 2459 . 15 1 1 A 264 264 PRO CB C 477 32.553 33.067 -0.514 1 1 2462 . 15 1 1 A 265 265 SER H H 478 8.763 8.773 -0.010 1 1 2463 . 15 1 1 A 265 265 SER HA H 478 4.494 4.207 0.287 1 1 2466 . 15 1 1 A 265 265 SER C C 478 173.725 174.289 -0.564 1 1 2467 . 15 1 1 A 265 265 SER CA C 478 59.060 61.373 -2.313 1 1 2468 . 15 1 1 A 265 265 SER CB C 478 64.038 62.801 1.237 1 1 2469 . 15 1 1 A 265 265 SER N N 478 116.725 116.259 0.466 1 1 17 . 16 1 1 A 12 12 VAL H H 225 7.819 8.516 -0.697 1 1 18 . 16 1 1 A 12 12 VAL HA H 225 4.946 4.329 0.617 1 1 26 . 16 1 1 A 12 12 VAL C C 225 175.898 176.789 -0.891 1 1 27 . 16 1 1 A 12 12 VAL CA C 225 59.650 62.995 -3.345 1 1 28 . 16 1 1 A 12 12 VAL CB C 225 35.296 33.038 2.258 1 1 31 . 16 1 1 A 12 12 VAL N N 225 117.637 121.762 -4.125 1 1 32 . 16 1 1 A 13 13 TYR H H 226 8.318 8.432 -0.114 1 1 33 . 16 1 1 A 13 13 TYR HA H 226 4.291 4.430 -0.139 1 1 36 . 16 1 1 A 13 13 TYR C C 226 176.911 176.570 0.341 1 1 37 . 16 1 1 A 13 13 TYR CA C 226 60.063 59.444 0.619 1 1 38 . 16 1 1 A 13 13 TYR CB C 226 37.843 36.940 0.903 1 1 39 . 16 1 1 A 13 13 TYR N N 226 122.976 121.577 1.399 1 1 40 . 16 1 1 A 14 14 GLN H H 227 9.128 7.995 1.133 1 1 41 . 16 1 1 A 14 14 GLN HA H 227 3.996 3.859 0.137 1 1 46 . 16 1 1 A 14 14 GLN C C 227 175.052 176.272 -1.220 1 1 47 . 16 1 1 A 14 14 GLN CA C 227 57.421 54.147 3.274 1 1 48 . 16 1 1 A 14 14 GLN CB C 227 29.550 26.675 2.875 1 1 50 . 16 1 1 A 14 14 GLN N N 227 124.676 120.273 4.403 1 1 51 . 16 1 1 A 15 15 MET H H 228 8.465 7.981 0.484 1 1 52 . 16 1 1 A 15 15 MET HA H 228 5.210 4.713 0.497 1 1 60 . 16 1 1 A 15 15 MET C C 228 172.979 175.770 -2.791 1 1 61 . 16 1 1 A 15 15 MET CA C 228 52.955 54.088 -1.133 1 1 62 . 16 1 1 A 15 15 MET CB C 228 30.751 32.739 -1.988 1 1 65 . 16 1 1 A 15 15 MET N N 228 128.835 121.656 7.179 1 1 66 . 16 1 1 A 16 16 LYS H H 229 9.119 7.442 1.677 1 1 67 . 16 1 1 A 16 16 LYS HA H 229 4.558 4.180 0.378 1 1 76 . 16 1 1 A 16 16 LYS C C 229 176.209 175.778 0.431 1 1 77 . 16 1 1 A 16 16 LYS CA C 229 55.916 55.995 -0.079 1 1 78 . 16 1 1 A 16 16 LYS CB C 229 35.555 31.841 3.714 1 1 82 . 16 1 1 A 16 16 LYS N N 229 120.235 121.327 -1.092 1 1 83 . 16 1 1 A 17 17 SER H H 230 9.101 8.553 0.548 1 1 84 . 16 1 1 A 17 17 SER HA H 230 4.077 4.935 -0.858 1 1 87 . 16 1 1 A 17 17 SER C C 230 172.995 172.978 0.017 1 1 88 . 16 1 1 A 17 17 SER CA C 230 59.615 57.301 2.314 1 1 89 . 16 1 1 A 17 17 SER CB C 230 64.482 66.597 -2.115 1 1 90 . 16 1 1 A 17 17 SER N N 230 121.500 121.629 -0.129 1 1 91 . 16 1 1 A 18 18 LYS H H 231 8.120 8.278 -0.158 1 1 92 . 16 1 1 A 18 18 LYS HA H 231 4.373 4.277 0.096 1 1 101 . 16 1 1 A 18 18 LYS C C 231 173.565 175.454 -1.889 1 1 102 . 16 1 1 A 18 18 LYS CA C 231 53.231 54.646 -1.415 1 1 103 . 16 1 1 A 18 18 LYS CB C 231 34.596 32.978 1.618 1 1 107 . 16 1 1 A 18 18 LYS N N 231 120.561 122.990 -2.429 1 1 108 . 16 1 1 A 19 19 PRO HA H 232 4.898 4.421 0.477 1 1 115 . 16 1 1 A 19 19 PRO C C 232 176.162 176.880 -0.718 1 1 116 . 16 1 1 A 19 19 PRO CA C 232 62.838 62.186 0.652 1 1 117 . 16 1 1 A 19 19 PRO CB C 232 34.997 32.634 2.363 1 1 120 . 16 1 1 A 20 20 ARG H H 233 8.782 8.429 0.353 1 1 121 . 16 1 1 A 20 20 ARG HA H 233 3.651 3.695 -0.044 1 1 122 . 16 1 1 A 20 20 ARG C C 233 175.210 175.759 -0.549 1 1 123 . 16 1 1 A 20 20 ARG CA C 233 56.621 57.452 -0.831 1 1 124 . 16 1 1 A 20 20 ARG CB C 233 30.581 27.696 2.885 1 1 127 . 16 1 1 A 20 20 ARG N N 233 118.785 115.636 3.149 1 1 128 . 16 1 1 A 21 21 GLY H H 234 6.490 7.297 -0.807 1 1 129 . 16 1 1 A 21 21 GLY HA2 H 234 4.312 4.201 0.111 1 1 130 . 16 1 1 A 21 21 GLY HA3 H 234 4.662 4.317 0.345 1 1 131 . 16 1 1 A 21 21 GLY C C 234 172.012 173.062 -1.050 1 1 132 . 16 1 1 A 21 21 GLY CA C 234 43.743 45.291 -1.548 1 1 133 . 16 1 1 A 21 21 GLY N N 234 128.529 106.272 22.257 1 1 134 . 16 1 1 A 22 22 TYR H H 235 9.327 8.957 0.370 1 1 135 . 16 1 1 A 22 22 TYR HA H 235 5.260 5.065 0.195 1 1 140 . 16 1 1 A 22 22 TYR C C 235 173.931 175.707 -1.776 1 1 141 . 16 1 1 A 22 22 TYR CA C 235 58.287 58.522 -0.235 1 1 142 . 16 1 1 A 22 22 TYR CB C 235 39.762 40.164 -0.402 1 1 145 . 16 1 1 A 22 22 TYR N N 235 119.429 119.293 0.136 1 1 146 . 16 1 1 A 23 23 CYS H H 236 8.665 8.890 -0.225 1 1 147 . 16 1 1 A 23 23 CYS HA H 236 4.928 5.005 -0.077 1 1 148 . 16 1 1 A 23 23 CYS C C 236 172.970 173.422 -0.452 1 1 149 . 16 1 1 A 23 23 CYS CA C 236 55.636 58.331 -2.695 1 1 150 . 16 1 1 A 23 23 CYS CB C 236 50.040 29.807 20.233 1 1 151 . 16 1 1 A 23 23 CYS N N 236 120.485 121.013 -0.528 1 1 152 . 16 1 1 A 24 24 LEU H H 237 8.619 8.611 0.008 1 1 153 . 16 1 1 A 24 24 LEU HA H 237 4.691 4.808 -0.117 1 1 163 . 16 1 1 A 24 24 LEU C C 237 175.850 176.009 -0.159 1 1 164 . 16 1 1 A 24 24 LEU CA C 237 54.053 54.709 -0.656 1 1 165 . 16 1 1 A 24 24 LEU CB C 237 44.117 41.885 2.232 1 1 169 . 16 1 1 A 24 24 LEU N N 237 129.465 126.842 2.623 1 1 170 . 16 1 1 A 25 25 ILE H H 238 8.304 8.719 -0.415 1 1 171 . 16 1 1 A 25 25 ILE HA H 238 4.639 4.704 -0.065 1 1 179 . 16 1 1 A 25 25 ILE C C 238 174.032 174.889 -0.857 1 1 180 . 16 1 1 A 25 25 ILE CA C 238 60.879 60.934 -0.055 1 1 181 . 16 1 1 A 25 25 ILE CB C 238 41.165 39.879 1.286 1 1 185 . 16 1 1 A 25 25 ILE N N 238 122.597 125.138 -2.541 1 1 186 . 16 1 1 A 26 26 ILE H H 239 9.025 9.115 -0.090 1 1 187 . 16 1 1 A 26 26 ILE HA H 239 4.778 5.328 -0.550 1 1 197 . 16 1 1 A 26 26 ILE C C 239 173.104 174.611 -1.507 1 1 198 . 16 1 1 A 26 26 ILE CA C 239 60.733 60.007 0.726 1 1 199 . 16 1 1 A 26 26 ILE CB C 239 38.237 39.797 -1.560 1 1 203 . 16 1 1 A 26 26 ILE N N 239 129.303 128.513 0.790 1 1 204 . 16 1 1 A 27 27 ASN H H 240 8.957 9.136 -0.179 1 1 205 . 16 1 1 A 27 27 ASN HA H 240 5.174 5.414 -0.240 1 1 208 . 16 1 1 A 27 27 ASN C C 240 172.948 174.447 -1.499 1 1 209 . 16 1 1 A 27 27 ASN CA C 240 52.055 51.759 0.296 1 1 210 . 16 1 1 A 27 27 ASN CB C 240 40.530 41.937 -1.407 1 1 211 . 16 1 1 A 27 27 ASN N N 240 125.494 125.990 -0.496 1 1 212 . 16 1 1 A 28 28 ASN H H 241 9.118 9.007 0.111 1 1 213 . 16 1 1 A 28 28 ASN HA H 241 5.106 4.922 0.184 1 1 216 . 16 1 1 A 28 28 ASN C C 241 172.184 175.386 -3.202 1 1 217 . 16 1 1 A 28 28 ASN CA C 241 52.599 53.830 -1.231 1 1 218 . 16 1 1 A 28 28 ASN CB C 241 38.296 39.206 -0.910 1 1 219 . 16 1 1 A 28 28 ASN N N 241 125.089 123.882 1.207 1 1 220 . 16 1 1 A 29 29 HIS H H 242 9.512 8.798 0.714 1 1 221 . 16 1 1 A 29 29 HIS HA H 242 4.384 4.670 -0.286 1 1 224 . 16 1 1 A 29 29 HIS C C 242 173.519 175.470 -1.951 1 1 225 . 16 1 1 A 29 29 HIS CA C 242 59.174 58.378 0.796 1 1 226 . 16 1 1 A 29 29 HIS CB C 242 28.022 30.804 -2.782 1 1 227 . 16 1 1 A 29 29 HIS N N 242 125.634 122.731 2.903 1 1 228 . 16 1 1 A 30 30 ASN H H 243 8.623 8.073 0.550 1 1 229 . 16 1 1 A 30 30 ASN HA H 243 4.148 4.666 -0.518 1 1 234 . 16 1 1 A 30 30 ASN C C 243 175.052 176.012 -0.960 1 1 235 . 16 1 1 A 30 30 ASN CA C 243 53.229 53.178 0.051 1 1 236 . 16 1 1 A 30 30 ASN CB C 243 38.980 38.592 0.388 1 1 237 . 16 1 1 A 30 30 ASN N N 243 119.059 117.262 1.797 1 1 239 . 16 1 1 A 31 31 PHE H H 244 8.676 8.541 0.135 1 1 240 . 16 1 1 A 31 31 PHE HA H 244 4.686 4.709 -0.023 1 1 243 . 16 1 1 A 31 31 PHE C C 244 174.399 176.878 -2.479 1 1 244 . 16 1 1 A 31 31 PHE CA C 244 57.688 57.165 0.523 1 1 245 . 16 1 1 A 31 31 PHE CB C 244 39.026 39.422 -0.396 1 1 246 . 16 1 1 A 31 31 PHE N N 244 124.091 122.924 1.167 1 1 247 . 16 1 1 A 32 32 ALA H H 245 8.244 7.612 0.632 1 1 248 . 16 1 1 A 32 32 ALA HA H 245 3.869 3.658 0.211 1 1 252 . 16 1 1 A 32 32 ALA C C 245 180.452 178.732 1.720 1 1 253 . 16 1 1 A 32 32 ALA CA C 245 56.274 55.135 1.139 1 1 254 . 16 1 1 A 32 32 ALA CB C 245 18.181 18.982 -0.801 1 1 255 . 16 1 1 A 32 32 ALA N N 245 122.713 124.023 -1.310 1 1 256 . 16 1 1 A 33 33 LYS H H 246 8.964 8.376 0.588 1 1 257 . 16 1 1 A 33 33 LYS HA H 246 4.089 4.463 -0.374 1 1 266 . 16 1 1 A 33 33 LYS C C 246 177.441 176.994 0.447 1 1 267 . 16 1 1 A 33 33 LYS CA C 246 58.632 55.619 3.013 1 1 268 . 16 1 1 A 33 33 LYS CB C 246 30.418 33.455 -3.037 1 1 272 . 16 1 1 A 33 33 LYS N N 246 116.888 115.025 1.863 1 1 273 . 16 1 1 A 34 34 ALA H H 247 7.088 8.025 -0.937 1 1 274 . 16 1 1 A 34 34 ALA HA H 247 3.752 4.150 -0.398 1 1 278 . 16 1 1 A 34 34 ALA C C 247 177.581 179.653 -2.072 1 1 279 . 16 1 1 A 34 34 ALA CA C 247 55.502 54.318 1.184 1 1 280 . 16 1 1 A 34 34 ALA CB C 247 18.099 18.762 -0.663 1 1 281 . 16 1 1 A 34 34 ALA N N 247 122.047 122.298 -0.251 1 1 282 . 16 1 1 A 35 35 ARG H H 248 7.706 8.339 -0.633 1 1 283 . 16 1 1 A 35 35 ARG HA H 248 4.338 4.189 0.149 1 1 292 . 16 1 1 A 35 35 ARG C C 248 179.094 178.440 0.654 1 1 293 . 16 1 1 A 35 35 ARG CA C 248 56.283 58.623 -2.340 1 1 294 . 16 1 1 A 35 35 ARG CB C 248 30.668 29.502 1.166 1 1 297 . 16 1 1 A 35 35 ARG N N 248 112.008 117.869 -5.861 1 1 299 . 16 1 1 A 36 36 GLU H H 249 7.707 7.476 0.231 1 1 300 . 16 1 1 A 36 36 GLU HA H 249 4.121 4.087 0.034 1 1 305 . 16 1 1 A 36 36 GLU C C 249 178.205 179.068 -0.863 1 1 306 . 16 1 1 A 36 36 GLU CA C 249 58.194 58.998 -0.804 1 1 307 . 16 1 1 A 36 36 GLU CB C 249 30.596 29.883 0.713 1 1 309 . 16 1 1 A 36 36 GLU N N 249 116.945 120.142 -3.197 1 1 310 . 16 1 1 A 37 37 LYS H H 250 7.954 8.126 -0.172 1 1 311 . 16 1 1 A 37 37 LYS HA H 250 4.381 4.130 0.251 1 1 320 . 16 1 1 A 37 37 LYS C C 250 176.772 176.398 0.374 1 1 321 . 16 1 1 A 37 37 LYS CA C 250 57.323 58.057 -0.734 1 1 322 . 16 1 1 A 37 37 LYS CB C 250 34.892 32.486 2.406 1 1 326 . 16 1 1 A 37 37 LYS N N 250 114.798 119.787 -4.989 1 1 327 . 16 1 1 A 38 38 VAL H H 251 8.298 8.129 0.169 1 1 328 . 16 1 1 A 38 38 VAL HA H 251 4.582 4.681 -0.099 1 1 336 . 16 1 1 A 38 38 VAL C C 251 174.903 174.381 0.522 1 1 337 . 16 1 1 A 38 38 VAL CA C 251 60.316 58.980 1.336 1 1 338 . 16 1 1 A 38 38 VAL CB C 251 32.374 32.052 0.322 1 1 341 . 16 1 1 A 38 38 VAL N N 251 120.907 118.350 2.557 1 1 342 . 16 1 1 A 40 40 LYS H H 253 8.588 8.858 -0.270 1 1 343 . 16 1 1 A 40 40 LYS HA H 253 4.275 4.317 -0.042 1 1 352 . 16 1 1 A 40 40 LYS C C 253 176.447 177.304 -0.857 1 1 353 . 16 1 1 A 40 40 LYS CA C 253 58.550 57.813 0.737 1 1 354 . 16 1 1 A 40 40 LYS CB C 253 31.568 31.389 0.179 1 1 358 . 16 1 1 A 40 40 LYS N N 253 113.861 115.784 -1.923 1 1 359 . 16 1 1 A 41 41 LEU H H 254 7.948 7.641 0.307 1 1 360 . 16 1 1 A 41 41 LEU HA H 254 4.391 4.319 0.072 1 1 370 . 16 1 1 A 41 41 LEU C C 254 175.989 178.179 -2.190 1 1 371 . 16 1 1 A 41 41 LEU CA C 254 53.279 54.495 -1.216 1 1 372 . 16 1 1 A 41 41 LEU CB C 254 40.369 41.235 -0.866 1 1 376 . 16 1 1 A 41 41 LEU N N 254 118.998 119.746 -0.748 1 1 377 . 16 1 1 A 42 42 HIS H H 255 7.167 8.381 -1.214 1 1 378 . 16 1 1 A 42 42 HIS HA H 255 4.376 4.412 -0.036 1 1 382 . 16 1 1 A 42 42 HIS C C 255 174.836 176.755 -1.919 1 1 383 . 16 1 1 A 42 42 HIS CA C 255 59.188 57.465 1.723 1 1 384 . 16 1 1 A 42 42 HIS CB C 255 30.311 29.603 0.708 1 1 386 . 16 1 1 A 42 42 HIS N N 255 116.251 119.615 -3.364 1 1 387 . 16 1 1 A 43 43 SER H H 256 7.735 7.092 0.643 1 1 388 . 16 1 1 A 43 43 SER HA H 256 4.490 4.059 0.431 1 1 391 . 16 1 1 A 43 43 SER C C 256 174.045 173.805 0.240 1 1 392 . 16 1 1 A 43 43 SER CA C 256 56.420 58.513 -2.093 1 1 393 . 16 1 1 A 43 43 SER CB C 256 64.093 63.111 0.982 1 1 394 . 16 1 1 A 43 43 SER N N 256 110.725 113.099 -2.374 1 1 395 . 16 1 1 A 44 44 ILE H H 257 7.403 7.256 0.147 1 1 396 . 16 1 1 A 44 44 ILE HA H 257 3.806 4.687 -0.881 1 1 406 . 16 1 1 A 44 44 ILE C C 257 174.321 173.636 0.685 1 1 407 . 16 1 1 A 44 44 ILE CA C 257 61.640 59.088 2.552 1 1 408 . 16 1 1 A 44 44 ILE CB C 257 38.324 41.425 -3.101 1 1 412 . 16 1 1 A 44 44 ILE N N 257 124.717 120.142 4.575 1 1 413 . 16 1 1 A 45 45 ARG H H 258 8.043 8.974 -0.931 1 1 414 . 16 1 1 A 45 45 ARG HA H 258 4.201 3.930 0.271 1 1 421 . 16 1 1 A 45 45 ARG C C 258 177.535 176.709 0.826 1 1 422 . 16 1 1 A 45 45 ARG CA C 258 55.412 53.760 1.652 1 1 423 . 16 1 1 A 45 45 ARG CB C 258 31.546 32.413 -0.867 1 1 426 . 16 1 1 A 45 45 ARG N N 258 124.319 126.879 -2.560 1 1 427 . 16 1 1 A 46 46 ASP H H 259 8.584 8.910 -0.326 1 1 428 . 16 1 1 A 46 46 ASP HA H 259 5.096 4.302 0.794 1 1 431 . 16 1 1 A 46 46 ASP C C 259 177.819 176.172 1.647 1 1 432 . 16 1 1 A 46 46 ASP CA C 259 55.248 57.002 -1.754 1 1 433 . 16 1 1 A 46 46 ASP CB C 259 39.614 40.077 -0.463 1 1 434 . 16 1 1 A 46 46 ASP N N 259 120.371 121.289 -0.918 1 1 435 . 16 1 1 A 47 47 ARG H H 260 8.632 7.615 1.017 1 1 442 . 16 1 1 A 47 47 ARG CA C 260 56.228 54.979 1.249 1 1 443 . 16 1 1 A 47 47 ARG CB C 260 26.981 30.511 -3.530 1 1 445 . 16 1 1 A 47 47 ARG N N 260 123.120 120.175 2.945 1 1 447 . 16 1 1 A 51 51 HIS HA H 264 4.293 4.540 -0.247 1 1 451 . 16 1 1 A 51 51 HIS C C 264 178.002 176.311 1.691 1 1 452 . 16 1 1 A 51 51 HIS CA C 264 60.062 57.027 3.035 1 1 453 . 16 1 1 A 51 51 HIS CB C 264 29.109 29.465 -0.356 1 1 455 . 16 1 1 A 52 52 LEU H H 265 7.474 7.802 -0.328 1 1 456 . 16 1 1 A 52 52 LEU HA H 265 4.125 3.715 0.410 1 1 466 . 16 1 1 A 52 52 LEU C C 265 180.623 178.578 2.045 1 1 467 . 16 1 1 A 52 52 LEU CA C 265 56.921 58.038 -1.117 1 1 468 . 16 1 1 A 52 52 LEU CB C 265 40.572 41.748 -1.176 1 1 472 . 16 1 1 A 52 52 LEU N N 265 122.692 121.621 1.071 1 1 473 . 16 1 1 A 53 53 ASP H H 266 6.993 8.142 -1.149 1 1 474 . 16 1 1 A 53 53 ASP C C 266 176.536 178.217 -1.681 1 1 475 . 16 1 1 A 53 53 ASP CA C 266 56.718 57.056 -0.338 1 1 476 . 16 1 1 A 53 53 ASP CB C 266 39.787 40.969 -1.182 1 1 477 . 16 1 1 A 53 53 ASP N N 266 122.192 118.609 3.583 1 1 478 . 16 1 1 A 54 54 ALA H H 267 8.217 8.303 -0.086 1 1 479 . 16 1 1 A 54 54 ALA HA H 267 3.840 4.102 -0.262 1 1 483 . 16 1 1 A 54 54 ALA C C 267 180.507 180.050 0.457 1 1 484 . 16 1 1 A 54 54 ALA CA C 267 55.836 55.000 0.836 1 1 485 . 16 1 1 A 54 54 ALA CB C 267 17.386 18.394 -1.008 1 1 486 . 16 1 1 A 54 54 ALA N N 267 121.612 122.263 -0.651 1 1 487 . 16 1 1 A 55 55 GLY H H 268 8.481 8.401 0.080 1 1 488 . 16 1 1 A 55 55 GLY C C 268 174.929 176.137 -1.208 1 1 489 . 16 1 1 A 55 55 GLY CA C 268 46.546 46.795 -0.249 1 1 490 . 16 1 1 A 55 55 GLY N N 268 107.453 105.209 2.244 1 1 491 . 16 1 1 A 56 56 ALA H H 269 7.759 7.737 0.022 1 1 492 . 16 1 1 A 56 56 ALA HA H 269 4.190 3.957 0.233 1 1 496 . 16 1 1 A 56 56 ALA C C 269 180.493 180.283 0.210 1 1 497 . 16 1 1 A 56 56 ALA CA C 269 55.311 54.711 0.600 1 1 498 . 16 1 1 A 56 56 ALA CB C 269 17.951 18.605 -0.654 1 1 499 . 16 1 1 A 56 56 ALA N N 269 125.518 124.576 0.942 1 1 500 . 16 1 1 A 57 57 LEU H H 270 8.224 8.185 0.039 1 1 501 . 16 1 1 A 57 57 LEU HA H 270 3.840 4.093 -0.253 1 1 506 . 16 1 1 A 57 57 LEU C C 270 177.499 179.813 -2.314 1 1 507 . 16 1 1 A 57 57 LEU CA C 270 58.315 57.803 0.512 1 1 508 . 16 1 1 A 57 57 LEU CB C 270 43.182 41.720 1.462 1 1 511 . 16 1 1 A 57 57 LEU N N 270 121.610 118.647 2.963 1 1 512 . 16 1 1 A 58 58 THR H H 271 7.976 7.759 0.217 1 1 513 . 16 1 1 A 58 58 THR HA H 271 4.432 3.969 0.463 1 1 518 . 16 1 1 A 58 58 THR C C 271 174.457 176.149 -1.692 1 1 519 . 16 1 1 A 58 58 THR CA C 271 68.788 66.437 2.351 1 1 520 . 16 1 1 A 58 58 THR CB C 271 67.557 68.796 -1.239 1 1 522 . 16 1 1 A 58 58 THR N N 271 115.528 115.291 0.237 1 1 523 . 16 1 1 A 59 59 THR H H 272 8.085 8.903 -0.818 1 1 524 . 16 1 1 A 59 59 THR HA H 272 3.911 4.019 -0.108 1 1 529 . 16 1 1 A 59 59 THR C C 272 176.131 177.080 -0.949 1 1 530 . 16 1 1 A 59 59 THR CA C 272 65.908 65.155 0.753 1 1 531 . 16 1 1 A 59 59 THR CB C 272 69.045 68.959 0.086 1 1 533 . 16 1 1 A 59 59 THR N N 272 114.864 114.504 0.360 1 1 534 . 16 1 1 A 60 60 THR H H 273 7.875 7.798 0.077 1 1 535 . 16 1 1 A 60 60 THR HA H 273 3.423 3.879 -0.456 1 1 540 . 16 1 1 A 60 60 THR C C 273 175.166 175.904 -0.738 1 1 541 . 16 1 1 A 60 60 THR CA C 273 67.291 66.521 0.770 1 1 542 . 16 1 1 A 60 60 THR CB C 273 68.824 68.495 0.329 1 1 544 . 16 1 1 A 60 60 THR N N 273 116.718 117.389 -0.671 1 1 545 . 16 1 1 A 61 61 PHE H H 274 8.219 7.804 0.415 1 1 546 . 16 1 1 A 61 61 PHE HA H 274 4.213 4.231 -0.018 1 1 552 . 16 1 1 A 61 61 PHE C C 274 178.034 178.120 -0.086 1 1 553 . 16 1 1 A 61 61 PHE CA C 274 63.308 61.568 1.740 1 1 554 . 16 1 1 A 61 61 PHE CB C 274 37.080 39.453 -2.373 1 1 558 . 16 1 1 A 61 61 PHE N N 274 114.721 117.549 -2.828 1 1 559 . 16 1 1 A 62 62 GLU H H 275 8.810 8.784 0.026 1 1 560 . 16 1 1 A 62 62 GLU HA H 275 4.416 4.144 0.272 1 1 565 . 16 1 1 A 62 62 GLU C C 275 181.232 178.750 2.482 1 1 566 . 16 1 1 A 62 62 GLU CA C 275 60.190 60.012 0.178 1 1 567 . 16 1 1 A 62 62 GLU CB C 275 28.990 29.189 -0.199 1 1 569 . 16 1 1 A 62 62 GLU N N 275 123.787 121.397 2.390 1 1 570 . 16 1 1 A 63 63 GLU H H 276 7.698 8.695 -0.997 1 1 571 . 16 1 1 A 63 63 GLU HA H 276 3.871 4.122 -0.251 1 1 575 . 16 1 1 A 63 63 GLU C C 276 176.721 177.348 -0.627 1 1 576 . 16 1 1 A 63 63 GLU CA C 276 58.821 58.889 -0.068 1 1 577 . 16 1 1 A 63 63 GLU CB C 276 29.251 28.390 0.861 1 1 579 . 16 1 1 A 63 63 GLU N N 276 120.707 117.476 3.231 1 1 580 . 16 1 1 A 64 64 LEU H H 277 6.708 7.886 -1.178 1 1 581 . 16 1 1 A 64 64 LEU HA H 277 4.148 4.354 -0.206 1 1 589 . 16 1 1 A 64 64 LEU C C 277 174.571 176.128 -1.557 1 1 590 . 16 1 1 A 64 64 LEU CA C 277 54.060 55.046 -0.986 1 1 594 . 16 1 1 A 64 64 LEU N N 277 115.451 118.640 -3.189 1 1 595 . 16 1 1 A 65 65 HIS H H 278 7.388 8.320 -0.932 1 1 596 . 16 1 1 A 65 65 HIS HA H 278 4.259 4.246 0.013 1 1 599 . 16 1 1 A 65 65 HIS C C 278 174.571 174.029 0.542 1 1 600 . 16 1 1 A 65 65 HIS CA C 278 57.737 56.855 0.882 1 1 601 . 16 1 1 A 65 65 HIS CB C 278 26.020 26.750 -0.730 1 1 602 . 16 1 1 A 65 65 HIS N N 278 107.287 115.526 -8.239 1 1 603 . 16 1 1 A 66 66 PHE H H 279 8.554 7.648 0.906 1 1 604 . 16 1 1 A 66 66 PHE HA H 279 4.462 4.773 -0.311 1 1 610 . 16 1 1 A 66 66 PHE C C 279 174.258 174.911 -0.653 1 1 611 . 16 1 1 A 66 66 PHE CA C 279 58.032 57.826 0.206 1 1 612 . 16 1 1 A 66 66 PHE CB C 279 39.809 41.772 -1.963 1 1 616 . 16 1 1 A 66 66 PHE N N 279 117.992 117.945 0.047 1 1 617 . 16 1 1 A 67 67 GLU H H 280 8.403 9.218 -0.815 1 1 618 . 16 1 1 A 67 67 GLU HA H 280 4.631 4.486 0.145 1 1 621 . 16 1 1 A 67 67 GLU C C 280 174.640 175.470 -0.830 1 1 622 . 16 1 1 A 67 67 GLU CA C 280 55.467 55.868 -0.401 1 1 623 . 16 1 1 A 67 67 GLU CB C 280 30.671 29.884 0.787 1 1 625 . 16 1 1 A 67 67 GLU N N 280 120.980 121.936 -0.956 1 1 626 . 16 1 1 A 68 68 ILE H H 281 8.988 8.899 0.089 1 1 627 . 16 1 1 A 68 68 ILE HA H 281 4.491 4.778 -0.287 1 1 636 . 16 1 1 A 68 68 ILE C C 281 176.177 174.055 2.122 1 1 637 . 16 1 1 A 68 68 ILE CA C 281 59.688 60.189 -0.501 1 1 638 . 16 1 1 A 68 68 ILE CB C 281 35.090 40.465 -5.375 1 1 642 . 16 1 1 A 68 68 ILE N N 281 127.994 127.537 0.457 1 1 643 . 16 1 1 A 69 69 LYS H H 282 8.559 8.822 -0.263 1 1 644 . 16 1 1 A 69 69 LYS HA H 282 4.981 4.765 0.216 1 1 645 . 16 1 1 A 69 69 LYS CA C 282 50.465 52.816 -2.351 1 1 646 . 16 1 1 A 69 69 LYS CB C 282 32.762 35.646 -2.884 1 1 649 . 16 1 1 A 69 69 LYS N N 282 126.350 129.222 -2.872 1 1 650 . 16 1 1 A 70 70 PRO HA H 283 5.133 4.504 0.629 1 1 651 . 16 1 1 A 70 70 PRO C C 283 176.378 176.116 0.262 1 1 652 . 16 1 1 A 70 70 PRO CA C 283 62.027 62.934 -0.907 1 1 653 . 16 1 1 A 70 70 PRO CB C 283 32.856 31.789 1.067 1 1 655 . 16 1 1 A 71 71 HIS H H 284 8.967 8.286 0.681 1 1 656 . 16 1 1 A 71 71 HIS HA H 284 4.465 4.941 -0.476 1 1 660 . 16 1 1 A 71 71 HIS C C 284 172.714 173.482 -0.768 1 1 661 . 16 1 1 A 71 71 HIS CA C 284 55.994 54.423 1.571 1 1 662 . 16 1 1 A 71 71 HIS CB C 284 33.678 29.066 4.612 1 1 664 . 16 1 1 A 71 71 HIS N N 284 121.708 123.620 -1.912 1 1 665 . 16 1 1 A 72 72 ASP H H 285 8.625 8.415 0.210 1 1 666 . 16 1 1 A 72 72 ASP HA H 285 5.695 5.096 0.599 1 1 669 . 16 1 1 A 72 72 ASP C C 285 175.881 176.285 -0.404 1 1 670 . 16 1 1 A 72 72 ASP CA C 285 53.201 53.374 -0.173 1 1 671 . 16 1 1 A 72 72 ASP CB C 285 43.758 42.236 1.522 1 1 672 . 16 1 1 A 72 72 ASP N N 285 122.941 124.137 -1.196 1 1 673 . 16 1 1 A 73 73 ASP H H 286 9.212 9.220 -0.008 1 1 674 . 16 1 1 A 73 73 ASP HA H 286 4.263 4.320 -0.057 1 1 676 . 16 1 1 A 73 73 ASP C C 286 174.368 174.790 -0.422 1 1 677 . 16 1 1 A 73 73 ASP CA C 286 56.488 54.992 1.496 1 1 678 . 16 1 1 A 73 73 ASP CB C 286 39.083 39.617 -0.534 1 1 679 . 16 1 1 A 73 73 ASP N N 286 119.175 123.451 -4.276 1 1 680 . 16 1 1 A 74 74 CYS H H 287 8.750 7.837 0.913 1 1 681 . 16 1 1 A 74 74 CYS HA H 287 4.854 4.982 -0.128 1 1 684 . 16 1 1 A 74 74 CYS C C 287 176.146 174.014 2.132 1 1 685 . 16 1 1 A 74 74 CYS CA C 287 58.552 58.077 0.475 1 1 686 . 16 1 1 A 74 74 CYS CB C 287 53.204 29.485 23.719 1 1 687 . 16 1 1 A 74 74 CYS N N 287 119.631 117.333 2.298 1 1 688 . 16 1 1 A 75 75 THR H H 288 8.535 8.784 -0.249 1 1 689 . 16 1 1 A 75 75 THR HA H 288 4.163 4.609 -0.446 1 1 694 . 16 1 1 A 75 75 THR C C 288 174.663 176.261 -1.598 1 1 695 . 16 1 1 A 75 75 THR CA C 288 61.353 61.811 -0.458 1 1 696 . 16 1 1 A 75 75 THR CB C 288 70.100 69.825 0.275 1 1 698 . 16 1 1 A 75 75 THR N N 288 115.998 121.331 -5.333 1 1 699 . 16 1 1 A 76 76 VAL H H 289 8.083 8.737 -0.654 1 1 700 . 16 1 1 A 76 76 VAL HA H 289 3.414 3.889 -0.475 1 1 708 . 16 1 1 A 76 76 VAL C C 289 176.443 177.136 -0.693 1 1 709 . 16 1 1 A 76 76 VAL CA C 289 69.066 65.276 3.790 1 1 710 . 16 1 1 A 76 76 VAL CB C 289 30.361 31.466 -1.105 1 1 713 . 16 1 1 A 76 76 VAL N N 289 120.599 125.009 -4.410 1 1 714 . 16 1 1 A 77 77 GLU H H 290 9.095 8.253 0.842 1 1 715 . 16 1 1 A 77 77 GLU HA H 290 4.027 3.830 0.197 1 1 720 . 16 1 1 A 77 77 GLU C C 290 179.172 178.084 1.088 1 1 721 . 16 1 1 A 77 77 GLU CA C 290 59.831 58.617 1.214 1 1 722 . 16 1 1 A 77 77 GLU CB C 290 29.493 29.302 0.191 1 1 724 . 16 1 1 A 77 77 GLU N N 290 119.191 120.846 -1.655 1 1 725 . 16 1 1 A 78 78 GLN H H 291 7.523 8.066 -0.543 1 1 726 . 16 1 1 A 78 78 GLN HA H 291 4.079 4.327 -0.248 1 1 731 . 16 1 1 A 78 78 GLN C C 291 177.815 178.221 -0.406 1 1 732 . 16 1 1 A 78 78 GLN CA C 291 58.920 57.849 1.071 1 1 734 . 16 1 1 A 78 78 GLN N N 291 117.101 117.978 -0.877 1 1 735 . 16 1 1 A 79 79 ILE H H 292 8.368 8.189 0.179 1 1 736 . 16 1 1 A 79 79 ILE HA H 292 3.427 3.775 -0.348 1 1 746 . 16 1 1 A 79 79 ILE C C 292 177.133 178.166 -1.033 1 1 747 . 16 1 1 A 79 79 ILE CA C 292 67.132 64.931 2.201 1 1 748 . 16 1 1 A 79 79 ILE CB C 292 37.163 37.223 -0.060 1 1 752 . 16 1 1 A 79 79 ILE N N 292 120.006 120.525 -0.519 1 1 753 . 16 1 1 A 80 80 TYR H H 293 8.302 8.218 0.084 1 1 754 . 16 1 1 A 80 80 TYR HA H 293 4.179 4.433 -0.254 1 1 759 . 16 1 1 A 80 80 TYR C C 293 178.907 178.206 0.701 1 1 760 . 16 1 1 A 80 80 TYR CA C 293 61.737 60.311 1.426 1 1 761 . 16 1 1 A 80 80 TYR CB C 293 37.201 37.805 -0.604 1 1 764 . 16 1 1 A 80 80 TYR N N 293 116.291 120.851 -4.560 1 1 765 . 16 1 1 A 81 81 GLU H H 294 8.170 8.518 -0.348 1 1 766 . 16 1 1 A 81 81 GLU HA H 294 4.036 4.252 -0.216 1 1 771 . 16 1 1 A 81 81 GLU C C 294 178.414 177.515 0.899 1 1 772 . 16 1 1 A 81 81 GLU CA C 294 59.768 58.046 1.722 1 1 773 . 16 1 1 A 81 81 GLU CB C 294 29.489 29.219 0.270 1 1 775 . 16 1 1 A 81 81 GLU N N 294 120.325 119.064 1.261 1 1 776 . 16 1 1 A 82 82 ILE H H 295 8.501 7.930 0.571 1 1 777 . 16 1 1 A 82 82 ILE HA H 295 3.675 3.747 -0.072 1 1 787 . 16 1 1 A 82 82 ILE C C 295 177.751 177.969 -0.218 1 1 788 . 16 1 1 A 82 82 ILE CA C 295 65.288 63.679 1.609 1 1 789 . 16 1 1 A 82 82 ILE CB C 295 38.497 38.094 0.403 1 1 793 . 16 1 1 A 82 82 ILE N N 295 120.434 118.901 1.533 1 1 794 . 16 1 1 A 83 83 LEU H H 296 8.508 7.761 0.747 1 1 795 . 16 1 1 A 83 83 LEU HA H 296 4.289 3.711 0.578 1 1 805 . 16 1 1 A 83 83 LEU C C 296 178.393 179.597 -1.204 1 1 806 . 16 1 1 A 83 83 LEU CA C 296 58.937 57.306 1.631 1 1 807 . 16 1 1 A 83 83 LEU CB C 296 39.626 40.866 -1.240 1 1 811 . 16 1 1 A 83 83 LEU N N 296 116.807 120.212 -3.405 1 1 812 . 16 1 1 A 84 84 LYS H H 297 8.048 8.096 -0.048 1 1 813 . 16 1 1 A 84 84 LYS HA H 297 3.967 3.985 -0.018 1 1 820 . 16 1 1 A 84 84 LYS C C 297 177.773 178.932 -1.159 1 1 821 . 16 1 1 A 84 84 LYS CA C 297 58.890 58.892 -0.002 1 1 822 . 16 1 1 A 84 84 LYS CB C 297 31.169 31.944 -0.775 1 1 826 . 16 1 1 A 84 84 LYS N N 297 118.687 117.423 1.264 1 1 827 . 16 1 1 A 85 85 ILE H H 298 7.694 7.611 0.083 1 1 828 . 16 1 1 A 85 85 ILE HA H 298 3.456 3.605 -0.149 1 1 838 . 16 1 1 A 85 85 ILE C C 298 179.100 177.674 1.426 1 1 839 . 16 1 1 A 85 85 ILE CA C 298 65.307 65.427 -0.120 1 1 840 . 16 1 1 A 85 85 ILE CB C 298 36.965 37.715 -0.750 1 1 844 . 16 1 1 A 85 85 ILE N N 298 118.157 121.276 -3.119 1 1 845 . 16 1 1 A 86 86 TYR H H 299 7.613 7.226 0.387 1 1 846 . 16 1 1 A 86 86 TYR HA H 299 4.103 4.415 -0.312 1 1 851 . 16 1 1 A 86 86 TYR C C 299 177.425 178.155 -0.730 1 1 852 . 16 1 1 A 86 86 TYR CA C 299 63.129 60.465 2.664 1 1 853 . 16 1 1 A 86 86 TYR CB C 299 38.745 37.763 0.982 1 1 856 . 16 1 1 A 86 86 TYR N N 299 115.499 119.723 -4.224 1 1 857 . 16 1 1 A 87 87 GLN H H 300 9.112 8.278 0.834 1 1 858 . 16 1 1 A 87 87 GLN HA H 300 3.977 4.129 -0.152 1 1 861 . 16 1 1 A 87 87 GLN C C 300 176.380 178.411 -2.031 1 1 862 . 16 1 1 A 87 87 GLN CA C 300 58.976 58.300 0.676 1 1 863 . 16 1 1 A 87 87 GLN CB C 300 28.819 28.429 0.390 1 1 865 . 16 1 1 A 87 87 GLN N N 300 125.039 120.960 4.079 1 1 866 . 16 1 1 A 88 88 LEU H H 301 7.536 8.281 -0.745 1 1 867 . 16 1 1 A 88 88 LEU HA H 301 4.309 4.053 0.256 1 1 877 . 16 1 1 A 88 88 LEU C C 301 177.129 180.127 -2.998 1 1 878 . 16 1 1 A 88 88 LEU CA C 301 55.142 57.719 -2.577 1 1 879 . 16 1 1 A 88 88 LEU CB C 301 41.809 41.168 0.641 1 1 883 . 16 1 1 A 88 88 LEU N N 301 115.623 119.010 -3.387 1 1 884 . 16 1 1 A 89 89 MET H H 302 7.025 7.872 -0.847 1 1 885 . 16 1 1 A 89 89 MET HA H 302 4.031 3.982 0.049 1 1 893 . 16 1 1 A 89 89 MET C C 302 172.664 175.956 -3.292 1 1 894 . 16 1 1 A 89 89 MET CA C 302 55.513 59.166 -3.653 1 1 895 . 16 1 1 A 89 89 MET CB C 302 33.748 32.344 1.404 1 1 898 . 16 1 1 A 89 89 MET N N 302 120.789 118.933 1.856 1 1 899 . 16 1 1 A 90 90 ASP H H 303 8.056 8.202 -0.146 1 1 900 . 16 1 1 A 90 90 ASP HA H 303 4.746 4.333 0.413 1 1 903 . 16 1 1 A 90 90 ASP C C 303 177.139 174.993 2.146 1 1 904 . 16 1 1 A 90 90 ASP CA C 303 54.411 54.948 -0.537 1 1 905 . 16 1 1 A 90 90 ASP CB C 303 40.987 39.392 1.595 1 1 906 . 16 1 1 A 90 90 ASP N N 303 117.873 119.394 -1.521 1 1 907 . 16 1 1 A 91 91 HIS H H 304 9.371 7.789 1.582 1 1 908 . 16 1 1 A 91 91 HIS HA H 304 4.657 5.017 -0.360 1 1 912 . 16 1 1 A 91 91 HIS C C 304 177.332 175.104 2.228 1 1 913 . 16 1 1 A 91 91 HIS CA C 304 56.031 53.992 2.039 1 1 914 . 16 1 1 A 91 91 HIS CB C 304 31.150 32.394 -1.244 1 1 916 . 16 1 1 A 91 91 HIS N N 304 126.666 113.634 13.032 1 1 917 . 16 1 1 A 92 92 SER H H 305 8.952 8.881 0.071 1 1 918 . 16 1 1 A 92 92 SER HA H 305 4.055 4.125 -0.070 1 1 921 . 16 1 1 A 92 92 SER CA C 305 63.687 59.971 3.716 1 1 922 . 16 1 1 A 92 92 SER CB C 305 62.694 63.094 -0.400 1 1 923 . 16 1 1 A 92 92 SER N N 305 118.610 115.491 3.119 1 1 924 . 16 1 1 A 93 93 ASN H H 306 8.745 7.333 1.412 1 1 925 . 16 1 1 A 93 93 ASN HA H 306 4.803 4.572 0.231 1 1 928 . 16 1 1 A 93 93 ASN C C 306 173.428 175.730 -2.302 1 1 929 . 16 1 1 A 93 93 ASN CA C 306 53.018 52.999 0.019 1 1 930 . 16 1 1 A 93 93 ASN CB C 306 38.033 39.337 -1.304 1 1 931 . 16 1 1 A 93 93 ASN N N 306 116.257 119.913 -3.656 1 1 932 . 16 1 1 A 94 94 MET H H 307 7.942 8.690 -0.748 1 1 933 . 16 1 1 A 94 94 MET HA H 307 4.683 3.996 0.687 1 1 939 . 16 1 1 A 94 94 MET C C 307 174.640 176.207 -1.567 1 1 940 . 16 1 1 A 94 94 MET CA C 307 53.564 56.794 -3.230 1 1 941 . 16 1 1 A 94 94 MET CB C 307 33.988 31.838 2.150 1 1 944 . 16 1 1 A 94 94 MET N N 307 117.799 118.138 -0.339 1 1 945 . 16 1 1 A 95 95 ASP H H 308 8.276 8.160 0.116 1 1 946 . 16 1 1 A 95 95 ASP HA H 308 5.172 4.311 0.861 1 1 949 . 16 1 1 A 95 95 ASP C C 308 176.264 175.840 0.424 1 1 950 . 16 1 1 A 95 95 ASP CA C 308 55.617 54.245 1.372 1 1 951 . 16 1 1 A 95 95 ASP CB C 308 45.114 39.448 5.666 1 1 952 . 16 1 1 A 95 95 ASP N N 308 119.567 116.828 2.739 1 1 953 . 16 1 1 A 96 96 CYS H H 309 8.215 7.689 0.526 1 1 954 . 16 1 1 A 96 96 CYS HA H 309 4.680 5.186 -0.506 1 1 957 . 16 1 1 A 96 96 CYS C C 309 170.157 173.525 -3.368 1 1 958 . 16 1 1 A 96 96 CYS CA C 309 57.203 58.568 -1.365 1 1 959 . 16 1 1 A 96 96 CYS CB C 309 52.974 29.361 23.613 1 1 960 . 16 1 1 A 96 96 CYS N N 309 118.264 116.776 1.488 1 1 961 . 16 1 1 A 97 97 PHE H H 310 8.108 9.125 -1.017 1 1 962 . 16 1 1 A 97 97 PHE HA H 310 5.071 5.359 -0.288 1 1 967 . 16 1 1 A 97 97 PHE C C 310 171.279 172.675 -1.396 1 1 968 . 16 1 1 A 97 97 PHE CA C 310 57.910 56.539 1.371 1 1 969 . 16 1 1 A 97 97 PHE CB C 310 44.724 41.011 3.713 1 1 972 . 16 1 1 A 97 97 PHE N N 310 125.767 120.408 5.359 1 1 973 . 16 1 1 A 98 98 ILE H H 311 7.647 8.071 -0.424 1 1 974 . 16 1 1 A 98 98 ILE HA H 311 4.581 4.447 0.134 1 1 984 . 16 1 1 A 98 98 ILE C C 311 172.012 174.009 -1.997 1 1 985 . 16 1 1 A 98 98 ILE CA C 311 58.312 59.236 -0.924 1 1 986 . 16 1 1 A 98 98 ILE CB C 311 39.964 41.860 -1.896 1 1 990 . 16 1 1 A 98 98 ILE N N 311 125.102 118.822 6.280 1 1 991 . 16 1 1 A 99 99 CYS H H 312 8.309 8.975 -0.666 1 1 992 . 16 1 1 A 99 99 CYS HA H 312 4.471 5.149 -0.678 1 1 993 . 16 1 1 A 99 99 CYS C C 312 171.965 172.804 -0.839 1 1 994 . 16 1 1 A 99 99 CYS CA C 312 56.347 57.253 -0.906 1 1 995 . 16 1 1 A 99 99 CYS CB C 312 51.093 28.621 22.472 1 1 996 . 16 1 1 A 99 99 CYS N N 312 124.548 123.757 0.791 1 1 997 . 16 1 1 A 100 100 CYS H H 313 9.116 8.683 0.433 1 1 998 . 16 1 1 A 100 100 CYS HA H 313 5.880 4.784 1.096 1 1 1001 . 16 1 1 A 100 100 CYS C C 313 173.635 174.885 -1.250 1 1 1002 . 16 1 1 A 100 100 CYS CA C 313 55.906 59.389 -3.483 1 1 1003 . 16 1 1 A 100 100 CYS CB C 313 52.685 28.573 24.112 1 1 1004 . 16 1 1 A 100 100 CYS N N 313 127.015 125.643 1.372 1 1 1005 . 16 1 1 A 101 101 ILE H H 314 8.896 8.612 0.284 1 1 1006 . 16 1 1 A 101 101 ILE HA H 314 4.737 4.951 -0.214 1 1 1016 . 16 1 1 A 101 101 ILE C C 314 172.277 176.193 -3.916 1 1 1017 . 16 1 1 A 101 101 ILE CA C 314 60.937 58.813 2.124 1 1 1018 . 16 1 1 A 101 101 ILE CB C 314 40.848 41.553 -0.705 1 1 1022 . 16 1 1 A 101 101 ILE N N 314 121.994 120.690 1.304 1 1 1023 . 16 1 1 A 102 102 LEU H H 315 8.951 8.723 0.228 1 1 1024 . 16 1 1 A 102 102 LEU HA H 315 5.285 4.318 0.967 1 1 1029 . 16 1 1 A 102 102 LEU C C 315 174.789 175.909 -1.120 1 1 1030 . 16 1 1 A 102 102 LEU CA C 315 52.489 57.380 -4.891 1 1 1031 . 16 1 1 A 102 102 LEU CB C 315 40.041 42.377 -2.336 1 1 1034 . 16 1 1 A 102 102 LEU N N 315 127.404 123.553 3.851 1 1 1035 . 16 1 1 A 103 103 SER H H 316 9.096 7.816 1.280 1 1 1036 . 16 1 1 A 103 103 SER HA H 316 4.680 4.774 -0.094 1 1 1039 . 16 1 1 A 103 103 SER C C 316 174.555 173.293 1.262 1 1 1040 . 16 1 1 A 103 103 SER CA C 316 56.403 57.484 -1.081 1 1 1041 . 16 1 1 A 103 103 SER CB C 316 63.224 65.697 -2.473 1 1 1042 . 16 1 1 A 103 103 SER N N 316 113.273 113.250 0.023 1 1 1043 . 16 1 1 A 104 104 HIS H H 317 7.515 8.612 -1.097 1 1 1044 . 16 1 1 A 104 104 HIS HA H 317 5.214 5.021 0.193 1 1 1048 . 16 1 1 A 104 104 HIS C C 317 175.667 175.212 0.455 1 1 1049 . 16 1 1 A 104 104 HIS CA C 317 56.371 55.456 0.915 1 1 1050 . 16 1 1 A 104 104 HIS CB C 317 34.676 30.175 4.501 1 1 1052 . 16 1 1 A 104 104 HIS N N 317 114.740 123.543 -8.803 1 1 1053 . 16 1 1 A 105 105 GLY H H 318 8.368 8.040 0.328 1 1 1054 . 16 1 1 A 105 105 GLY C C 318 169.470 174.114 -4.644 1 1 1055 . 16 1 1 A 105 105 GLY CA C 318 45.558 44.784 0.774 1 1 1056 . 16 1 1 A 105 105 GLY N N 318 107.330 109.920 -2.590 1 1 1057 . 16 1 1 A 106 106 ASP H H 319 7.943 8.846 -0.903 1 1 1058 . 16 1 1 A 106 106 ASP HA H 319 4.622 4.542 0.080 1 1 1061 . 16 1 1 A 106 106 ASP C C 319 175.179 175.230 -0.051 1 1 1062 . 16 1 1 A 106 106 ASP CA C 319 53.188 56.415 -3.227 1 1 1063 . 16 1 1 A 106 106 ASP CB C 319 43.555 40.985 2.570 1 1 1064 . 16 1 1 A 106 106 ASP N N 319 116.893 120.714 -3.821 1 1 1065 . 16 1 1 A 107 107 LYS H H 320 9.376 7.733 1.643 1 1 1066 . 16 1 1 A 107 107 LYS HA H 320 3.956 4.293 -0.337 1 1 1075 . 16 1 1 A 107 107 LYS C C 320 176.864 176.756 0.108 1 1 1076 . 16 1 1 A 107 107 LYS CA C 320 58.567 54.992 3.575 1 1 1077 . 16 1 1 A 107 107 LYS CB C 320 30.568 34.110 -3.542 1 1 1081 . 16 1 1 A 107 107 LYS N N 320 122.539 116.913 5.626 1 1 1082 . 16 1 1 A 108 108 GLY H H 321 9.025 8.806 0.219 1 1 1083 . 16 1 1 A 108 108 GLY C C 321 173.633 174.998 -1.365 1 1 1084 . 16 1 1 A 108 108 GLY CA C 321 45.491 46.690 -1.199 1 1 1085 . 16 1 1 A 108 108 GLY N N 321 111.919 114.670 -2.751 1 1 1086 . 16 1 1 A 109 109 ILE H H 322 8.157 8.044 0.113 1 1 1087 . 16 1 1 A 109 109 ILE HA H 322 4.994 3.799 1.195 1 1 1097 . 16 1 1 A 109 109 ILE C C 322 174.524 176.217 -1.693 1 1 1098 . 16 1 1 A 109 109 ILE CA C 322 59.009 64.348 -5.339 1 1 1099 . 16 1 1 A 109 109 ILE CB C 322 43.375 38.178 5.197 1 1 1103 . 16 1 1 A 109 109 ILE N N 322 116.465 118.592 -2.127 1 1 1104 . 16 1 1 A 110 110 ILE H H 323 8.443 7.818 0.625 1 1 1105 . 16 1 1 A 110 110 ILE HA H 323 4.530 4.886 -0.356 1 1 1115 . 16 1 1 A 110 110 ILE C C 323 174.337 173.749 0.588 1 1 1116 . 16 1 1 A 110 110 ILE CA C 323 58.547 59.944 -1.397 1 1 1117 . 16 1 1 A 110 110 ILE CB C 323 41.604 42.251 -0.647 1 1 1121 . 16 1 1 A 110 110 ILE N N 323 116.661 119.831 -3.170 1 1 1122 . 16 1 1 A 111 111 TYR H H 324 8.584 9.087 -0.503 1 1 1123 . 16 1 1 A 111 111 TYR HA H 324 5.557 5.029 0.528 1 1 1128 . 16 1 1 A 111 111 TYR C C 324 178.528 175.608 2.920 1 1 1129 . 16 1 1 A 111 111 TYR CA C 324 56.571 56.706 -0.135 1 1 1130 . 16 1 1 A 111 111 TYR CB C 324 39.984 41.471 -1.487 1 1 1133 . 16 1 1 A 111 111 TYR N N 324 119.472 127.443 -7.971 1 1 1134 . 16 1 1 A 112 112 GLY H H 325 8.522 8.311 0.211 1 1 1135 . 16 1 1 A 112 112 GLY C C 325 174.755 173.741 1.014 1 1 1136 . 16 1 1 A 112 112 GLY CA C 325 43.145 46.750 -3.605 1 1 1137 . 16 1 1 A 112 112 GLY N N 325 107.078 113.737 -6.659 1 1 1138 . 16 1 1 A 113 113 THR H H 326 8.245 7.622 0.623 1 1 1139 . 16 1 1 A 113 113 THR HA H 326 3.186 4.891 -1.705 1 1 1144 . 16 1 1 A 113 113 THR C C 326 173.264 173.890 -0.626 1 1 1145 . 16 1 1 A 113 113 THR CA C 326 64.857 60.617 4.240 1 1 1146 . 16 1 1 A 113 113 THR CB C 326 66.749 72.380 -5.631 1 1 1148 . 16 1 1 A 113 113 THR N N 326 113.146 113.558 -0.412 1 1 1149 . 16 1 1 A 114 114 ASP H H 327 8.801 9.034 -0.233 1 1 1150 . 16 1 1 A 114 114 ASP HA H 327 4.099 4.401 -0.302 1 1 1153 . 16 1 1 A 114 114 ASP C C 327 176.262 178.516 -2.254 1 1 1154 . 16 1 1 A 114 114 ASP CA C 327 52.768 56.596 -3.828 1 1 1155 . 16 1 1 A 114 114 ASP CB C 327 39.312 40.143 -0.831 1 1 1156 . 16 1 1 A 114 114 ASP N N 327 112.026 122.072 -10.046 1 1 1157 . 16 1 1 A 115 115 GLY H H 328 8.462 8.061 0.401 1 1 1158 . 16 1 1 A 115 115 GLY HA2 H 328 4.010 3.824 0.186 1 1 1159 . 16 1 1 A 115 115 GLY HA3 H 328 4.010 3.839 0.171 1 1 1160 . 16 1 1 A 115 115 GLY C C 328 171.918 173.628 -1.710 1 1 1161 . 16 1 1 A 115 115 GLY CA C 328 45.463 44.645 0.818 1 1 1162 . 16 1 1 A 115 115 GLY N N 328 107.749 107.864 -0.115 1 1 1163 . 16 1 1 A 116 116 GLN H H 329 6.657 7.767 -1.110 1 1 1164 . 16 1 1 A 116 116 GLN HA H 329 4.441 4.846 -0.405 1 1 1170 . 16 1 1 A 116 116 GLN C C 329 174.196 175.733 -1.537 1 1 1171 . 16 1 1 A 116 116 GLN CA C 329 55.204 54.644 0.560 1 1 1172 . 16 1 1 A 116 116 GLN CB C 329 28.541 32.553 -4.012 1 1 1174 . 16 1 1 A 116 116 GLN N N 329 115.146 119.291 -4.145 1 1 1176 . 16 1 1 A 117 117 GLU H H 330 8.624 8.829 -0.205 1 1 1177 . 16 1 1 A 117 117 GLU HA H 330 4.733 4.543 0.190 1 1 1178 . 16 1 1 A 117 117 GLU C C 330 175.357 176.267 -0.910 1 1 1179 . 16 1 1 A 117 117 GLU CA C 330 55.191 55.974 -0.783 1 1 1180 . 16 1 1 A 117 117 GLU CB C 330 32.586 30.226 2.360 1 1 1182 . 16 1 1 A 117 117 GLU N N 330 119.031 124.165 -5.134 1 1 1183 . 16 1 1 A 118 118 ALA H H 331 8.995 7.741 1.254 1 1 1184 . 16 1 1 A 118 118 ALA HA H 331 5.165 4.881 0.284 1 1 1188 . 16 1 1 A 118 118 ALA C C 331 173.650 174.715 -1.065 1 1 1189 . 16 1 1 A 118 118 ALA CA C 331 48.343 49.892 -1.549 1 1 1190 . 16 1 1 A 118 118 ALA CB C 331 20.353 19.233 1.120 1 1 1191 . 16 1 1 A 118 118 ALA N N 331 123.550 122.658 0.892 1 1 1192 . 16 1 1 A 119 119 PRO HA H 332 4.819 5.034 -0.215 1 1 1193 . 16 1 1 A 119 119 PRO C C 332 177.819 178.065 -0.246 1 1 1194 . 16 1 1 A 119 119 PRO CA C 332 62.007 62.535 -0.528 1 1 1195 . 16 1 1 A 119 119 PRO CB C 332 32.081 29.406 2.675 1 1 1197 . 16 1 1 A 120 120 ILE H H 333 8.574 8.497 0.077 1 1 1198 . 16 1 1 A 120 120 ILE HA H 333 3.278 3.825 -0.547 1 1 1206 . 16 1 1 A 120 120 ILE C C 333 177.316 175.766 1.550 1 1 1207 . 16 1 1 A 120 120 ILE CA C 333 66.025 62.481 3.544 1 1 1208 . 16 1 1 A 120 120 ILE CB C 333 37.991 37.619 0.372 1 1 1212 . 16 1 1 A 120 120 ILE N N 333 126.740 120.577 6.163 1 1 1213 . 16 1 1 A 121 121 TYR H H 334 9.192 8.279 0.913 1 1 1214 . 16 1 1 A 121 121 TYR HA H 334 3.942 4.657 -0.715 1 1 1219 . 16 1 1 A 121 121 TYR C C 334 177.847 175.747 2.100 1 1 1220 . 16 1 1 A 121 121 TYR CA C 334 60.688 58.768 1.920 1 1 1221 . 16 1 1 A 121 121 TYR CB C 334 38.803 40.490 -1.687 1 1 1224 . 16 1 1 A 121 121 TYR N N 334 117.479 121.158 -3.679 1 1 1225 . 16 1 1 A 122 122 GLU H H 335 7.178 8.237 -1.059 1 1 1226 . 16 1 1 A 122 122 GLU HA H 335 3.751 4.535 -0.784 1 1 1228 . 16 1 1 A 122 122 GLU C C 335 176.427 177.620 -1.193 1 1 1229 . 16 1 1 A 122 122 GLU CA C 335 58.378 56.362 2.016 1 1 1230 . 16 1 1 A 122 122 GLU CB C 335 29.477 30.404 -0.927 1 1 1232 . 16 1 1 A 122 122 GLU N N 335 115.885 120.508 -4.623 1 1 1233 . 16 1 1 A 123 123 LEU H H 336 7.440 7.555 -0.115 1 1 1234 . 16 1 1 A 123 123 LEU HA H 336 4.123 4.137 -0.014 1 1 1244 . 16 1 1 A 123 123 LEU C C 336 177.925 178.490 -0.565 1 1 1245 . 16 1 1 A 123 123 LEU CA C 336 56.646 56.664 -0.018 1 1 1246 . 16 1 1 A 123 123 LEU CB C 336 40.661 43.509 -2.848 1 1 1250 . 16 1 1 A 123 123 LEU N N 336 115.934 118.949 -3.015 1 1 1251 . 16 1 1 A 124 124 THR H H 337 8.009 7.782 0.227 1 1 1252 . 16 1 1 A 124 124 THR HA H 337 3.597 4.194 -0.597 1 1 1257 . 16 1 1 A 124 124 THR C C 337 177.568 175.600 1.968 1 1 1258 . 16 1 1 A 124 124 THR CA C 337 64.110 62.223 1.887 1 1 1259 . 16 1 1 A 124 124 THR CB C 337 67.603 68.927 -1.324 1 1 1261 . 16 1 1 A 124 124 THR N N 337 107.827 108.622 -0.795 1 1 1262 . 16 1 1 A 125 125 SER H H 338 7.435 7.757 -0.322 1 1 1263 . 16 1 1 A 125 125 SER HA H 338 3.723 4.434 -0.711 1 1 1266 . 16 1 1 A 125 125 SER C C 338 174.040 176.833 -2.793 1 1 1267 . 16 1 1 A 125 125 SER CA C 338 60.514 61.127 -0.613 1 1 1268 . 16 1 1 A 125 125 SER CB C 338 62.391 63.089 -0.698 1 1 1269 . 16 1 1 A 125 125 SER N N 338 112.670 118.026 -5.356 1 1 1270 . 16 1 1 A 126 126 GLN H H 339 7.071 7.743 -0.672 1 1 1271 . 16 1 1 A 126 126 GLN HA H 339 3.850 4.196 -0.346 1 1 1276 . 16 1 1 A 126 126 GLN C C 339 173.915 178.449 -4.534 1 1 1277 . 16 1 1 A 126 126 GLN CA C 339 56.106 57.933 -1.827 1 1 1278 . 16 1 1 A 126 126 GLN CB C 339 27.028 28.503 -1.475 1 1 1280 . 16 1 1 A 126 126 GLN N N 339 117.347 120.429 -3.082 1 1 1281 . 16 1 1 A 127 127 PHE H H 340 7.355 8.057 -0.702 1 1 1282 . 16 1 1 A 127 127 PHE HA H 340 4.515 4.458 0.057 1 1 1285 . 16 1 1 A 127 127 PHE C C 340 175.241 176.011 -0.770 1 1 1286 . 16 1 1 A 127 127 PHE CA C 340 57.914 58.186 -0.272 1 1 1287 . 16 1 1 A 127 127 PHE CB C 340 38.496 37.765 0.731 1 1 1288 . 16 1 1 A 127 127 PHE N N 340 110.412 116.368 -5.956 1 1 1289 . 16 1 1 A 128 128 THR H H 341 6.785 7.431 -0.646 1 1 1290 . 16 1 1 A 128 128 THR HA H 341 4.294 3.675 0.619 1 1 1295 . 16 1 1 A 128 128 THR C C 341 174.727 176.168 -1.441 1 1 1296 . 16 1 1 A 128 128 THR CA C 341 62.016 63.767 -1.751 1 1 1297 . 16 1 1 A 128 128 THR CB C 341 69.757 69.303 0.454 1 1 1299 . 16 1 1 A 128 128 THR N N 341 107.455 115.807 -8.352 1 1 1300 . 16 1 1 A 129 129 GLY H H 342 10.506 8.488 2.018 1 1 1301 . 16 1 1 A 129 129 GLY HA2 H 342 3.841 3.749 0.092 1 1 1302 . 16 1 1 A 129 129 GLY HA3 H 342 3.648 3.758 -0.110 1 1 1303 . 16 1 1 A 129 129 GLY C C 342 175.631 174.560 1.071 1 1 1304 . 16 1 1 A 129 129 GLY CA C 342 47.056 46.481 0.575 1 1 1305 . 16 1 1 A 129 129 GLY N N 342 111.023 113.860 -2.837 1 1 1306 . 16 1 1 A 130 130 LEU H H 343 8.003 7.819 0.184 1 1 1307 . 16 1 1 A 130 130 LEU HA H 343 4.135 4.370 -0.235 1 1 1317 . 16 1 1 A 130 130 LEU C C 343 178.627 177.194 1.433 1 1 1318 . 16 1 1 A 130 130 LEU CA C 343 56.606 54.872 1.734 1 1 1319 . 16 1 1 A 130 130 LEU CB C 343 42.399 41.865 0.534 1 1 1323 . 16 1 1 A 130 130 LEU N N 343 116.983 119.768 -2.785 1 1 1324 . 16 1 1 A 131 131 LYS H H 344 6.961 8.088 -1.127 1 1 1325 . 16 1 1 A 131 131 LYS HA H 344 4.001 4.419 -0.418 1 1 1333 . 16 1 1 A 131 131 LYS C C 344 176.224 176.860 -0.636 1 1 1334 . 16 1 1 A 131 131 LYS CA C 344 57.534 56.610 0.924 1 1 1335 . 16 1 1 A 131 131 LYS CB C 344 33.404 35.360 -1.956 1 1 1339 . 16 1 1 A 131 131 LYS N N 344 116.907 115.861 1.046 1 1 1340 . 16 1 1 A 132 132 CYS H H 345 8.564 7.974 0.590 1 1 1341 . 16 1 1 A 132 132 CYS HA H 345 4.930 4.789 0.141 1 1 1344 . 16 1 1 A 132 132 CYS C C 345 172.261 172.742 -0.481 1 1 1345 . 16 1 1 A 132 132 CYS CA C 345 56.566 57.021 -0.455 1 1 1346 . 16 1 1 A 132 132 CYS CB C 345 49.011 27.856 21.155 1 1 1347 . 16 1 1 A 132 132 CYS N N 345 117.718 116.536 1.182 1 1 1348 . 16 1 1 A 133 133 PRO HA H 346 4.719 4.300 0.419 1 1 1354 . 16 1 1 A 133 133 PRO C C 346 179.500 178.253 1.247 1 1 1355 . 16 1 1 A 133 133 PRO CA C 346 62.681 64.768 -2.087 1 1 1356 . 16 1 1 A 133 133 PRO CB C 346 34.366 32.005 2.361 1 1 1359 . 16 1 1 A 134 134 SER H H 347 8.896 8.237 0.659 1 1 1360 . 16 1 1 A 134 134 SER HA H 347 4.415 4.186 0.229 1 1 1363 . 16 1 1 A 134 134 SER C C 347 174.434 175.295 -0.861 1 1 1364 . 16 1 1 A 134 134 SER CA C 347 60.509 61.320 -0.811 1 1 1365 . 16 1 1 A 134 134 SER CB C 347 62.207 62.769 -0.562 1 1 1366 . 16 1 1 A 134 134 SER N N 347 112.882 113.219 -0.337 1 1 1367 . 16 1 1 A 135 135 LEU H H 348 7.549 7.267 0.282 1 1 1368 . 16 1 1 A 135 135 LEU HA H 348 4.466 4.558 -0.092 1 1 1378 . 16 1 1 A 135 135 LEU C C 348 176.458 177.346 -0.888 1 1 1379 . 16 1 1 A 135 135 LEU CA C 348 53.787 54.513 -0.726 1 1 1380 . 16 1 1 A 135 135 LEU CB C 348 44.189 42.248 1.941 1 1 1384 . 16 1 1 A 135 135 LEU N N 348 118.501 117.541 0.960 1 1 1385 . 16 1 1 A 136 136 ALA H H 349 7.776 7.823 -0.047 1 1 1386 . 16 1 1 A 136 136 ALA HA H 349 4.056 4.309 -0.253 1 1 1390 . 16 1 1 A 136 136 ALA C C 349 178.620 178.533 0.087 1 1 1391 . 16 1 1 A 136 136 ALA CA C 349 54.406 52.785 1.621 1 1 1392 . 16 1 1 A 136 136 ALA CB C 349 17.934 19.607 -1.673 1 1 1393 . 16 1 1 A 136 136 ALA N N 349 125.801 122.200 3.601 1 1 1394 . 16 1 1 A 137 137 GLY H H 350 9.371 8.037 1.334 1 1 1395 . 16 1 1 A 137 137 GLY C C 350 173.026 174.138 -1.112 1 1 1396 . 16 1 1 A 137 137 GLY CA C 350 45.132 45.410 -0.278 1 1 1397 . 16 1 1 A 137 137 GLY N N 350 111.181 106.371 4.810 1 1 1398 . 16 1 1 A 138 138 LYS H H 351 8.038 7.404 0.634 1 1 1399 . 16 1 1 A 138 138 LYS HA H 351 4.660 4.582 0.078 1 1 1400 . 16 1 1 A 138 138 LYS C C 351 172.078 175.403 -3.325 1 1 1401 . 16 1 1 A 138 138 LYS CA C 351 52.728 54.767 -2.039 1 1 1402 . 16 1 1 A 138 138 LYS CB C 351 32.069 32.968 -0.899 1 1 1404 . 16 1 1 A 138 138 LYS N N 351 119.821 119.461 0.360 1 1 1405 . 16 1 1 A 139 139 PRO HA H 352 4.300 4.827 -0.527 1 1 1412 . 16 1 1 A 139 139 PRO C C 352 173.954 176.348 -2.394 1 1 1413 . 16 1 1 A 139 139 PRO CA C 352 62.595 62.813 -0.218 1 1 1414 . 16 1 1 A 139 139 PRO CB C 352 31.399 33.175 -1.776 1 1 1417 . 16 1 1 A 140 140 LYS H H 353 8.188 8.546 -0.358 1 1 1418 . 16 1 1 A 140 140 LYS HA H 353 4.610 5.353 -0.743 1 1 1419 . 16 1 1 A 140 140 LYS C C 353 173.494 174.885 -1.391 1 1 1420 . 16 1 1 A 140 140 LYS CA C 353 55.344 54.689 0.655 1 1 1421 . 16 1 1 A 140 140 LYS CB C 353 32.527 36.430 -3.903 1 1 1423 . 16 1 1 A 140 140 LYS N N 353 123.304 115.905 7.399 1 1 1424 . 16 1 1 A 141 141 VAL H H 354 8.344 8.412 -0.068 1 1 1425 . 16 1 1 A 141 141 VAL HA H 354 4.533 5.026 -0.493 1 1 1433 . 16 1 1 A 141 141 VAL C C 354 172.277 174.517 -2.240 1 1 1434 . 16 1 1 A 141 141 VAL CA C 354 60.596 60.665 -0.069 1 1 1435 . 16 1 1 A 141 141 VAL CB C 354 33.580 34.898 -1.318 1 1 1438 . 16 1 1 A 141 141 VAL N N 354 122.550 120.554 1.996 1 1 1439 . 16 1 1 A 142 142 PHE H H 355 8.985 8.524 0.461 1 1 1440 . 16 1 1 A 142 142 PHE HA H 355 5.436 5.298 0.138 1 1 1441 . 16 1 1 A 142 142 PHE C C 355 173.666 172.415 1.251 1 1 1442 . 16 1 1 A 142 142 PHE CA C 355 54.968 55.291 -0.323 1 1 1443 . 16 1 1 A 142 142 PHE CB C 355 42.877 42.554 0.323 1 1 1444 . 16 1 1 A 142 142 PHE N N 355 123.850 122.023 1.827 1 1 1445 . 16 1 1 A 143 143 PHE H H 356 8.584 8.874 -0.290 1 1 1446 . 16 1 1 A 143 143 PHE HA H 356 5.934 5.112 0.822 1 1 1449 . 16 1 1 A 143 143 PHE C C 356 174.526 175.340 -0.814 1 1 1450 . 16 1 1 A 143 143 PHE CA C 356 55.909 56.597 -0.688 1 1 1451 . 16 1 1 A 143 143 PHE CB C 356 39.923 42.163 -2.240 1 1 1454 . 16 1 1 A 143 143 PHE N N 356 119.801 118.731 1.070 1 1 1455 . 16 1 1 A 144 144 ILE H H 357 9.020 8.829 0.191 1 1 1456 . 16 1 1 A 144 144 ILE HA H 357 5.040 4.946 0.094 1 1 1466 . 16 1 1 A 144 144 ILE C C 357 173.323 174.466 -1.143 1 1 1467 . 16 1 1 A 144 144 ILE CA C 357 59.479 60.490 -1.011 1 1 1468 . 16 1 1 A 144 144 ILE CB C 357 40.898 41.371 -0.473 1 1 1472 . 16 1 1 A 144 144 ILE N N 357 121.194 120.245 0.949 1 1 1473 . 16 1 1 A 145 145 GLN H H 358 8.856 9.215 -0.359 1 1 1474 . 16 1 1 A 145 145 GLN HA H 358 4.670 4.944 -0.274 1 1 1475 . 16 1 1 A 145 145 GLN C C 358 171.591 174.689 -3.098 1 1 1476 . 16 1 1 A 145 145 GLN CA C 358 53.648 54.511 -0.863 1 1 1477 . 16 1 1 A 145 145 GLN CB C 358 30.373 30.335 0.038 1 1 1479 . 16 1 1 A 145 145 GLN N N 358 128.880 128.958 -0.078 1 1 1480 . 16 1 1 A 146 146 ALA H H 359 8.418 8.915 -0.497 1 1 1481 . 16 1 1 A 146 146 ALA HA H 359 5.247 5.064 0.183 1 1 1485 . 16 1 1 A 146 146 ALA C C 359 175.319 176.562 -1.243 1 1 1486 . 16 1 1 A 146 146 ALA CA C 359 50.243 50.826 -0.583 1 1 1487 . 16 1 1 A 146 146 ALA CB C 359 18.786 20.622 -1.836 1 1 1488 . 16 1 1 A 146 146 ALA N N 359 128.349 129.713 -1.364 1 1 1489 . 16 1 1 A 147 147 ALA H H 360 8.161 8.909 -0.748 1 1 1490 . 16 1 1 A 147 147 ALA HA H 360 4.343 4.575 -0.232 1 1 1494 . 16 1 1 A 147 147 ALA C C 360 177.238 176.997 0.241 1 1 1495 . 16 1 1 A 147 147 ALA CA C 360 52.078 51.650 0.428 1 1 1496 . 16 1 1 A 147 147 ALA CB C 360 20.003 20.249 -0.246 1 1 1497 . 16 1 1 A 147 147 ALA N N 360 123.005 125.948 -2.943 1 1 1498 . 16 1 1 A 148 148 GLN H H 361 8.461 9.020 -0.559 1 1 1499 . 16 1 1 A 148 148 GLN HA H 361 4.663 5.076 -0.413 1 1 1504 . 16 1 1 A 148 148 GLN C C 361 176.333 175.161 1.172 1 1 1505 . 16 1 1 A 148 148 GLN CA C 361 55.760 54.027 1.733 1 1 1506 . 16 1 1 A 148 148 GLN CB C 361 29.937 31.703 -1.766 1 1 1508 . 16 1 1 A 148 148 GLN N N 361 120.296 116.056 4.240 1 1 1509 . 16 1 1 A 149 149 GLY H H 362 8.631 8.647 -0.016 1 1 1510 . 16 1 1 A 149 149 GLY HA2 H 362 3.858 3.939 -0.081 1 1 1511 . 16 1 1 A 149 149 GLY HA3 H 362 3.858 3.996 -0.138 1 1 1512 . 16 1 1 A 149 149 GLY C C 362 172.022 173.414 -1.392 1 1 1513 . 16 1 1 A 149 149 GLY CA C 362 44.969 45.506 -0.537 1 1 1514 . 16 1 1 A 149 149 GLY N N 362 109.782 109.045 0.737 1 1 1515 . 16 1 1 A 150 150 ASP H H 363 7.566 8.468 -0.902 1 1 1516 . 16 1 1 A 150 150 ASP HA H 363 4.661 4.606 0.055 1 1 1519 . 16 1 1 A 150 150 ASP C C 363 174.446 175.604 -1.158 1 1 1520 . 16 1 1 A 150 150 ASP CA C 363 57.776 54.044 3.732 1 1 1521 . 16 1 1 A 150 150 ASP CB C 363 39.423 41.069 -1.646 1 1 1522 . 16 1 1 A 150 150 ASP N N 363 118.182 119.777 -1.595 1 1 1523 . 16 1 1 A 153 153 GLN HA H 366 4.665 3.877 0.788 1 1 1530 . 16 1 1 A 153 153 GLN CA C 366 53.779 56.506 -2.727 1 1 1531 . 16 1 1 A 153 153 GLN CB C 366 28.988 28.556 0.432 1 1 1534 . 16 1 1 A 155 155 GLY HA2 H 368 3.899 4.052 -0.153 1 1 1535 . 16 1 1 A 155 155 GLY HA3 H 368 3.899 4.055 -0.156 1 1 1536 . 16 1 1 A 155 155 GLY CA C 368 45.013 44.989 0.024 1 1 1537 . 16 1 1 A 156 156 ILE H H 369 7.871 8.149 -0.278 1 1 1538 . 16 1 1 A 156 156 ILE HA H 369 4.428 4.857 -0.429 1 1 1548 . 16 1 1 A 156 156 ILE C C 369 174.196 175.557 -1.361 1 1 1549 . 16 1 1 A 156 156 ILE CA C 369 58.676 57.200 1.476 1 1 1550 . 16 1 1 A 156 156 ILE CB C 369 38.516 40.107 -1.591 1 1 1554 . 16 1 1 A 156 156 ILE N N 369 120.958 118.493 2.465 1 1 1555 . 16 1 1 A 157 157 PRO HA H 370 4.386 4.588 -0.202 1 1 1562 . 16 1 1 A 157 157 PRO C C 370 176.218 176.799 -0.581 1 1 1563 . 16 1 1 A 157 157 PRO CA C 370 63.431 64.266 -0.835 1 1 1564 . 16 1 1 A 157 157 PRO CB C 370 31.913 32.006 -0.093 1 1 1567 . 16 1 1 A 158 158 VAL H H 371 8.137 7.564 0.573 1 1 1568 . 16 1 1 A 158 158 VAL HA H 371 4.089 4.042 0.047 1 1 1576 . 16 1 1 A 158 158 VAL C C 371 175.904 175.827 0.077 1 1 1577 . 16 1 1 A 158 158 VAL CA C 371 62.121 61.442 0.679 1 1 1578 . 16 1 1 A 158 158 VAL CB C 371 32.958 32.389 0.569 1 1 1581 . 16 1 1 A 158 158 VAL N N 371 119.640 113.744 5.896 1 1 1582 . 16 1 1 A 159 159 GLU H H 372 8.523 8.856 -0.333 1 1 1583 . 16 1 1 A 159 159 GLU HA H 372 4.345 4.924 -0.579 1 1 1588 . 16 1 1 A 159 159 GLU C C 372 176.068 175.032 1.036 1 1 1589 . 16 1 1 A 159 159 GLU CA C 372 56.474 54.361 2.113 1 1 1590 . 16 1 1 A 159 159 GLU CB C 372 30.078 33.314 -3.236 1 1 1592 . 16 1 1 A 159 159 GLU N N 372 123.765 124.207 -0.442 1 1 1593 . 16 1 1 A 160 160 THR H H 373 8.096 8.678 -0.582 1 1 1594 . 16 1 1 A 160 160 THR HA H 373 4.311 4.370 -0.059 1 1 1599 . 16 1 1 A 160 160 THR C C 373 173.701 174.073 -0.372 1 1 1600 . 16 1 1 A 160 160 THR CA C 373 61.845 62.210 -0.365 1 1 1601 . 16 1 1 A 160 160 THR CB C 373 69.760 68.821 0.939 1 1 1603 . 16 1 1 A 160 160 THR N N 373 114.143 112.732 1.411 1 1 1604 . 16 1 1 A 161 161 ASP H H 374 8.387 8.633 -0.246 1 1 1605 . 16 1 1 A 161 161 ASP HA H 374 4.625 4.749 -0.124 1 1 1608 . 16 1 1 A 161 161 ASP C C 374 175.806 177.356 -1.550 1 1 1609 . 16 1 1 A 161 161 ASP CA C 374 54.478 55.246 -0.768 1 1 1610 . 16 1 1 A 161 161 ASP CB C 374 41.096 42.354 -1.258 1 1 1611 . 16 1 1 A 161 161 ASP N N 374 122.070 125.024 -2.954 1 1 1612 . 16 1 1 A 162 162 SER H H 375 8.175 8.331 -0.156 1 1 1613 . 16 1 1 A 162 162 SER HA H 375 4.385 4.542 -0.157 1 1 1616 . 16 1 1 A 162 162 SER C C 375 174.169 172.744 1.425 1 1 1617 . 16 1 1 A 162 162 SER CA C 375 58.631 58.684 -0.053 1 1 1618 . 16 1 1 A 162 162 SER CB C 375 63.814 62.477 1.337 1 1 1619 . 16 1 1 A 162 162 SER N N 375 115.346 114.781 0.565 1 1 1620 . 16 1 1 A 163 163 GLU H H 376 8.424 7.962 0.462 1 1 1621 . 16 1 1 A 163 163 GLU HA H 376 4.263 4.791 -0.528 1 1 1626 . 16 1 1 A 163 163 GLU C C 376 175.959 176.170 -0.211 1 1 1627 . 16 1 1 A 163 163 GLU CA C 376 56.567 54.829 1.738 1 1 1628 . 16 1 1 A 163 163 GLU CB C 376 30.044 31.760 -1.716 1 1 1630 . 16 1 1 A 163 163 GLU N N 376 122.034 119.106 2.928 1 1 1631 . 16 1 1 A 164 164 GLU H H 377 8.298 8.858 -0.560 1 1 1632 . 16 1 1 A 164 164 GLU HA H 377 4.224 4.465 -0.241 1 1 1637 . 16 1 1 A 164 164 GLU C C 377 175.816 177.873 -2.057 1 1 1638 . 16 1 1 A 164 164 GLU CA C 377 56.489 56.109 0.380 1 1 1639 . 16 1 1 A 164 164 GLU CB C 377 30.220 30.773 -0.553 1 1 1641 . 16 1 1 A 164 164 GLU N N 377 120.980 124.044 -3.064 1 1 1642 . 16 1 1 A 165 165 GLN H H 378 8.340 8.611 -0.271 1 1 1643 . 16 1 1 A 165 165 GLN HA H 378 4.563 4.006 0.557 1 1 1645 . 16 1 1 A 165 165 GLN C C 378 173.510 176.792 -3.282 1 1 1646 . 16 1 1 A 165 165 GLN CA C 378 53.530 60.767 -7.237 1 1 1647 . 16 1 1 A 165 165 GLN CB C 378 28.816 27.954 0.862 1 1 1649 . 16 1 1 A 165 165 GLN N N 378 121.693 121.121 0.572 1 1 1650 . 16 1 1 A 166 166 PRO HA H 379 4.381 4.744 -0.363 1 1 1657 . 16 1 1 A 166 166 PRO C C 379 176.081 175.694 0.387 1 1 1658 . 16 1 1 A 166 166 PRO CA C 379 63.260 62.542 0.718 1 1 1659 . 16 1 1 A 166 166 PRO CB C 379 32.010 29.200 2.810 1 1 1662 . 16 1 1 A 167 167 TYR H H 380 8.116 8.497 -0.381 1 1 1663 . 16 1 1 A 167 167 TYR HA H 380 4.513 4.658 -0.145 1 1 1668 . 16 1 1 A 167 167 TYR C C 380 174.992 175.376 -0.384 1 1 1669 . 16 1 1 A 167 167 TYR CA C 380 57.699 57.542 0.157 1 1 1670 . 16 1 1 A 167 167 TYR CB C 380 38.344 39.852 -1.508 1 1 1673 . 16 1 1 A 167 167 TYR N N 380 119.531 119.839 -0.308 1 1 1674 . 16 1 1 A 168 168 LEU H H 381 7.953 8.488 -0.535 1 1 1675 . 16 1 1 A 168 168 LEU HA H 381 4.267 5.014 -0.747 1 1 1685 . 16 1 1 A 168 168 LEU C C 381 176.162 175.397 0.765 1 1 1686 . 16 1 1 A 168 168 LEU CA C 381 54.808 52.595 2.213 1 1 1687 . 16 1 1 A 168 168 LEU CB C 381 42.735 45.119 -2.384 1 1 1691 . 16 1 1 A 168 168 LEU N N 381 124.133 114.872 9.261 1 1 1692 . 16 1 1 A 169 169 GLU H H 382 8.190 8.453 -0.263 1 1 1693 . 16 1 1 A 169 169 GLU HA H 382 4.167 4.900 -0.733 1 1 1698 . 16 1 1 A 169 169 GLU C C 382 175.881 174.902 0.979 1 1 1699 . 16 1 1 A 169 169 GLU CA C 382 56.655 55.091 1.564 1 1 1700 . 16 1 1 A 169 169 GLU CB C 382 30.058 33.334 -3.276 1 1 1702 . 16 1 1 A 169 169 GLU N N 382 121.131 118.857 2.274 1 1 1703 . 16 1 1 A 170 170 MET H H 383 8.214 8.504 -0.290 1 1 1704 . 16 1 1 A 170 170 MET HA H 383 4.377 4.668 -0.291 1 1 1709 . 16 1 1 A 170 170 MET C C 383 175.132 174.746 0.386 1 1 1710 . 16 1 1 A 170 170 MET CA C 383 55.606 54.300 1.306 1 1 1711 . 16 1 1 A 170 170 MET CB C 383 33.091 35.108 -2.017 1 1 1713 . 16 1 1 A 170 170 MET N N 383 120.601 121.199 -0.598 1 1 1714 . 16 1 1 A 171 171 ASP H H 384 8.358 8.546 -0.188 1 1 1715 . 16 1 1 A 171 171 ASP HA H 384 4.575 4.357 0.218 1 1 1718 . 16 1 1 A 171 171 ASP C C 384 175.966 176.412 -0.446 1 1 1719 . 16 1 1 A 171 171 ASP CA C 384 53.741 55.135 -1.394 1 1 1720 . 16 1 1 A 171 171 ASP CB C 384 40.571 40.516 0.055 1 1 1721 . 16 1 1 A 171 171 ASP N N 384 121.104 118.958 2.146 1 1 1722 . 16 1 1 A 172 172 LEU H H 385 8.285 7.807 0.478 1 1 1723 . 16 1 1 A 172 172 LEU HA H 385 4.305 3.961 0.344 1 1 1733 . 16 1 1 A 172 172 LEU C C 385 177.140 178.886 -1.746 1 1 1734 . 16 1 1 A 172 172 LEU CA C 385 55.122 57.877 -2.755 1 1 1735 . 16 1 1 A 172 172 LEU CB C 385 41.851 41.812 0.039 1 1 1739 . 16 1 1 A 172 172 LEU N N 385 123.115 120.354 2.761 1 1 1740 . 16 1 1 A 173 173 SER H H 386 8.290 8.129 0.161 1 1 1741 . 16 1 1 A 173 173 SER N N 386 115.101 112.876 2.225 1 1 1742 . 16 1 1 A 176 176 GLN HA H 389 4.383 4.095 0.288 1 1 1749 . 16 1 1 A 176 176 GLN CA C 389 55.991 58.823 -2.832 1 1 1750 . 16 1 1 A 176 176 GLN CB C 389 29.280 29.016 0.264 1 1 1753 . 16 1 1 A 177 177 THR H H 390 6.958 8.063 -1.105 1 1 1754 . 16 1 1 A 177 177 THR HA H 390 3.970 4.499 -0.529 1 1 1759 . 16 1 1 A 177 177 THR C C 390 172.764 173.852 -1.088 1 1 1760 . 16 1 1 A 177 177 THR CA C 390 62.221 62.097 0.124 1 1 1761 . 16 1 1 A 177 177 THR CB C 390 69.382 68.290 1.092 1 1 1763 . 16 1 1 A 177 177 THR N N 390 115.463 113.613 1.850 1 1 1764 . 16 1 1 A 178 178 ARG H H 391 7.873 8.305 -0.432 1 1 1765 . 16 1 1 A 178 178 ARG C C 391 174.982 173.416 1.566 1 1 1766 . 16 1 1 A 178 178 ARG CA C 391 55.266 55.815 -0.549 1 1 1767 . 16 1 1 A 178 178 ARG CB C 391 31.052 34.359 -3.307 1 1 1769 . 16 1 1 A 178 178 ARG N N 391 122.116 127.496 -5.380 1 1 1770 . 16 1 1 A 179 179 TYR H H 392 8.812 8.966 -0.154 1 1 1771 . 16 1 1 A 179 179 TYR HA H 392 4.621 5.501 -0.880 1 1 1776 . 16 1 1 A 179 179 TYR C C 392 174.337 173.395 0.942 1 1 1777 . 16 1 1 A 179 179 TYR CA C 392 57.444 56.337 1.107 1 1 1778 . 16 1 1 A 179 179 TYR CB C 392 40.623 41.815 -1.192 1 1 1781 . 16 1 1 A 179 179 TYR N N 392 118.296 126.988 -8.692 1 1 1782 . 16 1 1 A 180 180 ILE H H 393 7.254 8.887 -1.633 1 1 1783 . 16 1 1 A 180 180 ILE HA H 393 4.610 4.561 0.049 1 1 1793 . 16 1 1 A 180 180 ILE C C 393 171.654 173.849 -2.195 1 1 1794 . 16 1 1 A 180 180 ILE CA C 393 56.916 58.029 -1.113 1 1 1795 . 16 1 1 A 180 180 ILE CB C 393 39.736 39.386 0.350 1 1 1799 . 16 1 1 A 180 180 ILE N N 393 108.609 128.525 -19.916 1 1 1800 . 16 1 1 A 181 181 PRO HA H 394 4.709 4.590 0.119 1 1 1807 . 16 1 1 A 181 181 PRO C C 394 173.910 175.444 -1.534 1 1 1808 . 16 1 1 A 181 181 PRO CA C 394 62.144 62.555 -0.411 1 1 1809 . 16 1 1 A 181 181 PRO CB C 394 32.527 33.299 -0.772 1 1 1812 . 16 1 1 A 182 182 ASP H H 395 8.296 8.644 -0.348 1 1 1813 . 16 1 1 A 182 182 ASP HA H 395 4.665 4.900 -0.235 1 1 1816 . 16 1 1 A 182 182 ASP C C 395 175.120 176.091 -0.971 1 1 1817 . 16 1 1 A 182 182 ASP CA C 395 52.455 53.130 -0.675 1 1 1818 . 16 1 1 A 182 182 ASP CB C 395 38.742 41.512 -2.770 1 1 1819 . 16 1 1 A 182 182 ASP N N 395 120.042 121.830 -1.788 1 1 1820 . 16 1 1 A 183 183 GLU H H 396 7.651 7.666 -0.015 1 1 1821 . 16 1 1 A 183 183 GLU HA H 396 4.492 4.254 0.238 1 1 1826 . 16 1 1 A 183 183 GLU C C 396 173.702 175.678 -1.976 1 1 1827 . 16 1 1 A 183 183 GLU CA C 396 54.897 56.564 -1.667 1 1 1828 . 16 1 1 A 183 183 GLU CB C 396 32.509 30.269 2.240 1 1 1830 . 16 1 1 A 183 183 GLU N N 396 117.840 119.595 -1.755 1 1 1831 . 16 1 1 A 184 184 ALA H H 397 8.365 8.337 0.028 1 1 1832 . 16 1 1 A 184 184 ALA HA H 397 4.394 5.136 -0.742 1 1 1836 . 16 1 1 A 184 184 ALA C C 397 175.829 176.952 -1.123 1 1 1837 . 16 1 1 A 184 184 ALA CA C 397 52.770 50.511 2.259 1 1 1838 . 16 1 1 A 184 184 ALA CB C 397 20.682 22.758 -2.076 1 1 1839 . 16 1 1 A 184 184 ALA N N 397 121.613 121.194 0.419 1 1 1840 . 16 1 1 A 185 185 ASP H H 398 7.245 9.067 -1.822 1 1 1841 . 16 1 1 A 185 185 ASP HA H 398 4.092 4.491 -0.399 1 1 1844 . 16 1 1 A 185 185 ASP C C 398 172.730 175.140 -2.410 1 1 1845 . 16 1 1 A 185 185 ASP CA C 398 56.144 55.187 0.957 1 1 1846 . 16 1 1 A 185 185 ASP CB C 398 39.841 38.731 1.110 1 1 1847 . 16 1 1 A 185 185 ASP N N 398 105.829 120.623 -14.794 1 1 1848 . 16 1 1 A 186 186 PHE H H 399 8.467 7.500 0.967 1 1 1849 . 16 1 1 A 186 186 PHE HA H 399 5.486 5.335 0.151 1 1 1852 . 16 1 1 A 186 186 PHE C C 399 176.218 172.976 3.242 1 1 1853 . 16 1 1 A 186 186 PHE CA C 399 57.959 55.603 2.356 1 1 1854 . 16 1 1 A 186 186 PHE CB C 399 44.529 41.918 2.611 1 1 1855 . 16 1 1 A 186 186 PHE N N 399 116.177 115.451 0.726 1 1 1856 . 16 1 1 A 187 187 LEU H H 400 8.964 8.467 0.497 1 1 1857 . 16 1 1 A 187 187 LEU HA H 400 4.963 4.828 0.135 1 1 1867 . 16 1 1 A 187 187 LEU C C 400 171.747 174.187 -2.440 1 1 1868 . 16 1 1 A 187 187 LEU CA C 400 55.422 53.406 2.016 1 1 1869 . 16 1 1 A 187 187 LEU CB C 400 45.641 44.332 1.309 1 1 1873 . 16 1 1 A 187 187 LEU N N 400 121.383 122.968 -1.585 1 1 1874 . 16 1 1 A 188 188 LEU H H 401 9.312 8.501 0.811 1 1 1875 . 16 1 1 A 188 188 LEU HA H 401 5.580 3.718 1.862 1 1 1885 . 16 1 1 A 188 188 LEU C C 401 173.853 174.889 -1.036 1 1 1886 . 16 1 1 A 188 188 LEU CA C 401 53.421 53.199 0.222 1 1 1887 . 16 1 1 A 188 188 LEU CB C 401 45.403 43.236 2.167 1 1 1891 . 16 1 1 A 188 188 LEU N N 401 128.151 128.423 -0.272 1 1 1892 . 16 1 1 A 189 189 GLY H H 402 9.415 8.469 0.946 1 1 1893 . 16 1 1 A 189 189 GLY HA2 H 402 4.670 4.204 0.466 1 1 1894 . 16 1 1 A 189 189 GLY HA3 H 402 3.663 4.291 -0.628 1 1 1895 . 16 1 1 A 189 189 GLY C C 402 171.014 172.875 -1.861 1 1 1896 . 16 1 1 A 189 189 GLY CA C 402 44.967 46.436 -1.469 1 1 1897 . 16 1 1 A 189 189 GLY N N 402 115.881 114.018 1.863 1 1 1898 . 16 1 1 A 190 190 MET H H 403 8.118 8.889 -0.771 1 1 1899 . 16 1 1 A 190 190 MET HA H 403 5.314 5.469 -0.155 1 1 1907 . 16 1 1 A 190 190 MET C C 403 173.744 174.894 -1.150 1 1 1908 . 16 1 1 A 190 190 MET CA C 403 53.284 53.881 -0.597 1 1 1909 . 16 1 1 A 190 190 MET CB C 403 36.614 36.434 0.180 1 1 1912 . 16 1 1 A 190 190 MET N N 403 122.165 125.048 -2.883 1 1 1934 . 16 1 1 A 203 203 ALA H H 416 8.076 8.390 -0.314 1 1 1935 . 16 1 1 A 203 203 ALA HA H 416 4.228 4.928 -0.700 1 1 1939 . 16 1 1 A 203 203 ALA C C 416 176.895 177.112 -0.217 1 1 1940 . 16 1 1 A 203 203 ALA CA C 416 52.743 50.643 2.100 1 1 1941 . 16 1 1 A 203 203 ALA CB C 416 18.723 23.059 -4.336 1 1 1942 . 16 1 1 A 203 203 ALA N N 416 119.053 124.874 -5.821 1 1 1943 . 16 1 1 A 204 204 GLU H H 417 7.784 8.971 -1.187 1 1 1944 . 16 1 1 A 204 204 GLU HA H 417 4.350 4.191 0.159 1 1 1949 . 16 1 1 A 204 204 GLU C C 417 175.678 176.817 -1.139 1 1 1950 . 16 1 1 A 204 204 GLU CA C 417 55.650 56.169 -0.519 1 1 1951 . 16 1 1 A 204 204 GLU CB C 417 30.312 28.922 1.390 1 1 1953 . 16 1 1 A 204 204 GLU N N 417 116.458 117.423 -0.965 1 1 1954 . 16 1 1 A 205 205 GLY H H 418 7.910 8.334 -0.424 1 1 1955 . 16 1 1 A 205 205 GLY CA C 418 43.804 46.819 -3.015 1 1 1956 . 16 1 1 A 205 205 GLY N N 418 108.024 109.413 -1.389 1 1 1957 . 16 1 1 A 206 206 THR H H 419 8.364 7.992 0.372 1 1 1958 . 16 1 1 A 206 206 THR HA H 419 4.316 4.886 -0.570 1 1 1963 . 16 1 1 A 206 206 THR CA C 419 64.682 58.746 5.936 1 1 1964 . 16 1 1 A 206 206 THR CB C 419 69.304 71.647 -2.343 1 1 1966 . 16 1 1 A 206 206 THR N N 419 115.417 114.983 0.434 1 1 1967 . 16 1 1 A 207 207 TRP HA H 420 4.116 5.217 -1.101 1 1 1976 . 16 1 1 A 207 207 TRP CA C 420 61.178 55.272 5.906 1 1 1977 . 16 1 1 A 207 207 TRP CB C 420 28.670 34.029 -5.359 1 1 1984 . 16 1 1 A 209 209 ILE H H 422 6.744 9.078 -2.334 1 1 1985 . 16 1 1 A 209 209 ILE HA H 422 3.349 3.739 -0.390 1 1 1993 . 16 1 1 A 209 209 ILE C C 422 178.143 177.552 0.591 1 1 1994 . 16 1 1 A 209 209 ILE CA C 422 60.865 64.755 -3.890 1 1 1995 . 16 1 1 A 209 209 ILE CB C 422 34.371 37.323 -2.952 1 1 1999 . 16 1 1 A 209 209 ILE N N 422 113.211 125.504 -12.293 1 1 2000 . 16 1 1 A 210 210 GLN H H 423 8.252 8.461 -0.209 1 1 2001 . 16 1 1 A 210 210 GLN HA H 423 3.548 3.968 -0.420 1 1 2006 . 16 1 1 A 210 210 GLN C C 423 179.079 178.410 0.669 1 1 2007 . 16 1 1 A 210 210 GLN CA C 423 58.795 58.990 -0.195 1 1 2008 . 16 1 1 A 210 210 GLN CB C 423 26.704 28.220 -1.516 1 1 2010 . 16 1 1 A 210 210 GLN N N 423 116.455 120.118 -3.663 1 1 2011 . 16 1 1 A 211 211 SER H H 424 8.162 7.762 0.400 1 1 2012 . 16 1 1 A 211 211 SER HA H 424 3.961 4.300 -0.339 1 1 2015 . 16 1 1 A 211 211 SER C C 424 179.150 176.522 2.628 1 1 2016 . 16 1 1 A 211 211 SER CA C 424 61.850 61.386 0.464 1 1 2017 . 16 1 1 A 211 211 SER CB C 424 62.214 63.430 -1.216 1 1 2018 . 16 1 1 A 211 211 SER N N 424 115.041 116.441 -1.400 1 1 2019 . 16 1 1 A 212 212 LEU H H 425 8.061 7.868 0.193 1 1 2020 . 16 1 1 A 212 212 LEU HA H 425 3.540 3.978 -0.438 1 1 2030 . 16 1 1 A 212 212 LEU C C 425 177.566 178.412 -0.846 1 1 2031 . 16 1 1 A 212 212 LEU CA C 425 58.548 57.662 0.886 1 1 2032 . 16 1 1 A 212 212 LEU CB C 425 41.665 41.194 0.471 1 1 2036 . 16 1 1 A 212 212 LEU N N 425 124.082 122.623 1.459 1 1 2037 . 16 1 1 A 213 213 CYS H H 426 7.940 7.976 -0.036 1 1 2038 . 16 1 1 A 213 213 CYS HA H 426 3.628 4.051 -0.423 1 1 2041 . 16 1 1 A 213 213 CYS C C 426 175.741 176.726 -0.985 1 1 2042 . 16 1 1 A 213 213 CYS CA C 426 65.159 62.323 2.836 1 1 2043 . 16 1 1 A 213 213 CYS CB C 426 49.251 27.087 22.164 1 1 2044 . 16 1 1 A 213 213 CYS N N 426 114.351 118.358 -4.007 1 1 2045 . 16 1 1 A 214 214 GLN H H 427 7.510 7.803 -0.293 1 1 2046 . 16 1 1 A 214 214 GLN HA H 427 3.772 4.035 -0.263 1 1 2051 . 16 1 1 A 214 214 GLN C C 427 177.769 177.942 -0.173 1 1 2052 . 16 1 1 A 214 214 GLN CA C 427 59.019 58.131 0.888 1 1 2053 . 16 1 1 A 214 214 GLN CB C 427 27.718 27.467 0.251 1 1 2055 . 16 1 1 A 214 214 GLN N N 427 117.399 119.020 -1.621 1 1 2056 . 16 1 1 A 215 215 SER H H 428 7.906 8.108 -0.202 1 1 2057 . 16 1 1 A 215 215 SER HA H 428 4.173 4.038 0.135 1 1 2060 . 16 1 1 A 215 215 SER CA C 428 62.653 61.296 1.357 1 1 2061 . 16 1 1 A 215 215 SER CB C 428 62.889 62.582 0.307 1 1 2062 . 16 1 1 A 215 215 SER N N 428 113.799 115.885 -2.086 1 1 2063 . 16 1 1 A 216 216 LEU H H 429 8.505 7.484 1.021 1 1 2064 . 16 1 1 A 216 216 LEU HA H 429 4.156 3.774 0.382 1 1 2071 . 16 1 1 A 216 216 LEU C C 429 178.848 178.210 0.638 1 1 2072 . 16 1 1 A 216 216 LEU CA C 429 58.053 58.269 -0.216 1 1 2073 . 16 1 1 A 216 216 LEU CB C 429 41.222 41.492 -0.270 1 1 2076 . 16 1 1 A 216 216 LEU N N 429 121.357 118.892 2.465 1 1 2077 . 16 1 1 A 217 217 ARG H H 430 7.972 8.331 -0.359 1 1 2078 . 16 1 1 A 217 217 ARG HA H 430 3.850 3.798 0.052 1 1 2085 . 16 1 1 A 217 217 ARG C C 430 178.237 177.348 0.889 1 1 2086 . 16 1 1 A 217 217 ARG CA C 430 59.472 58.837 0.635 1 1 2087 . 16 1 1 A 217 217 ARG CB C 430 30.256 29.818 0.438 1 1 2090 . 16 1 1 A 217 217 ARG N N 430 116.018 120.700 -4.682 1 1 2091 . 16 1 1 A 218 218 GLU H H 431 7.583 7.955 -0.372 1 1 2092 . 16 1 1 A 218 218 GLU HA H 431 4.119 4.061 0.058 1 1 2096 . 16 1 1 A 218 218 GLU C C 431 178.377 176.796 1.581 1 1 2097 . 16 1 1 A 218 218 GLU CA C 431 58.207 57.502 0.705 1 1 2098 . 16 1 1 A 218 218 GLU CB C 431 30.548 28.959 1.589 1 1 2100 . 16 1 1 A 218 218 GLU N N 431 113.645 117.712 -4.067 1 1 2101 . 16 1 1 A 219 219 ARG H H 432 8.621 7.639 0.982 1 1 2102 . 16 1 1 A 219 219 ARG HA H 432 4.180 4.488 -0.308 1 1 2103 . 16 1 1 A 219 219 ARG C C 432 178.455 176.383 2.072 1 1 2104 . 16 1 1 A 219 219 ARG CA C 432 58.428 55.523 2.905 1 1 2105 . 16 1 1 A 219 219 ARG CB C 432 30.936 30.677 0.259 1 1 2107 . 16 1 1 A 219 219 ARG N N 432 114.272 119.106 -4.834 1 1 2108 . 16 1 1 A 220 220 CYS H H 433 8.828 7.626 1.202 1 1 2109 . 16 1 1 A 220 220 CYS HA H 433 4.464 4.121 0.343 1 1 2112 . 16 1 1 A 220 220 CYS C C 433 176.708 175.878 0.830 1 1 2113 . 16 1 1 A 220 220 CYS CA C 433 66.312 63.421 2.891 1 1 2114 . 16 1 1 A 220 220 CYS CB C 433 47.095 26.152 20.943 1 1 2115 . 16 1 1 A 220 220 CYS N N 433 120.012 118.981 1.031 1 1 2116 . 16 1 1 A 221 221 PRO HA H 434 4.463 4.715 -0.252 1 1 2123 . 16 1 1 A 221 221 PRO C C 434 177.064 175.837 1.227 1 1 2124 . 16 1 1 A 221 221 PRO CA C 434 65.717 62.430 3.287 1 1 2125 . 16 1 1 A 221 221 PRO CB C 434 31.169 29.296 1.873 1 1 2128 . 16 1 1 A 222 222 ARG H H 435 6.904 8.740 -1.836 1 1 2129 . 16 1 1 A 222 222 ARG HA H 435 4.331 4.545 -0.214 1 1 2136 . 16 1 1 A 222 222 ARG C C 435 176.536 177.142 -0.606 1 1 2137 . 16 1 1 A 222 222 ARG CA C 435 55.901 56.254 -0.353 1 1 2138 . 16 1 1 A 222 222 ARG CB C 435 30.116 32.816 -2.700 1 1 2141 . 16 1 1 A 222 222 ARG N N 435 112.486 122.069 -9.583 1 1 2142 . 16 1 1 A 223 223 GLY H H 436 8.160 8.248 -0.088 1 1 2143 . 16 1 1 A 223 223 GLY HA2 H 436 4.237 3.922 0.315 1 1 2144 . 16 1 1 A 223 223 GLY HA3 H 436 3.643 3.961 -0.318 1 1 2145 . 16 1 1 A 223 223 GLY C C 436 173.338 174.066 -0.728 1 1 2146 . 16 1 1 A 223 223 GLY CA C 436 43.988 45.051 -1.063 1 1 2147 . 16 1 1 A 223 223 GLY N N 436 105.931 108.208 -2.277 1 1 2148 . 16 1 1 A 224 224 ASP H H 437 6.891 8.125 -1.234 1 1 2149 . 16 1 1 A 224 224 ASP HA H 437 4.500 4.658 -0.158 1 1 2151 . 16 1 1 A 224 224 ASP C C 437 173.806 175.522 -1.716 1 1 2152 . 16 1 1 A 224 224 ASP CA C 437 54.576 53.994 0.582 1 1 2153 . 16 1 1 A 224 224 ASP CB C 437 40.588 42.117 -1.529 1 1 2154 . 16 1 1 A 224 224 ASP N N 437 119.342 122.312 -2.970 1 1 2155 . 16 1 1 A 225 225 ASP H H 438 8.054 8.782 -0.728 1 1 2156 . 16 1 1 A 225 225 ASP HA H 438 4.912 4.894 0.018 1 1 2159 . 16 1 1 A 225 225 ASP C C 438 175.631 176.461 -0.830 1 1 2160 . 16 1 1 A 225 225 ASP CA C 438 52.579 53.832 -1.253 1 1 2161 . 16 1 1 A 225 225 ASP CB C 438 42.616 41.711 0.905 1 1 2162 . 16 1 1 A 225 225 ASP N N 438 117.877 121.471 -3.594 1 1 2163 . 16 1 1 A 226 226 ILE H H 439 9.101 8.934 0.167 1 1 2164 . 16 1 1 A 226 226 ILE HA H 439 3.621 3.903 -0.282 1 1 2174 . 16 1 1 A 226 226 ILE C C 439 176.146 176.825 -0.679 1 1 2175 . 16 1 1 A 226 226 ILE CA C 439 62.602 63.494 -0.892 1 1 2176 . 16 1 1 A 226 226 ILE CB C 439 36.530 38.102 -1.572 1 1 2180 . 16 1 1 A 226 226 ILE N N 439 118.352 122.942 -4.590 1 1 2181 . 16 1 1 A 227 227 LEU H H 440 7.814 7.904 -0.090 1 1 2182 . 16 1 1 A 227 227 LEU HA H 440 3.918 3.731 0.187 1 1 2192 . 16 1 1 A 227 227 LEU C C 440 179.397 178.017 1.380 1 1 2193 . 16 1 1 A 227 227 LEU CA C 440 58.566 57.696 0.870 1 1 2194 . 16 1 1 A 227 227 LEU CB C 440 40.819 41.251 -0.432 1 1 2198 . 16 1 1 A 227 227 LEU N N 440 119.906 122.225 -2.319 1 1 2199 . 16 1 1 A 228 228 THR H H 441 7.665 7.629 0.036 1 1 2200 . 16 1 1 A 228 228 THR HA H 441 4.289 4.272 0.017 1 1 2205 . 16 1 1 A 228 228 THR C C 441 179.489 176.444 3.045 1 1 2206 . 16 1 1 A 228 228 THR CA C 441 61.837 64.060 -2.223 1 1 2207 . 16 1 1 A 228 228 THR CB C 441 69.979 69.243 0.736 1 1 2209 . 16 1 1 A 228 228 THR N N 441 120.011 112.562 7.449 1 1 2210 . 16 1 1 A 229 229 ILE H H 442 7.807 7.616 0.191 1 1 2211 . 16 1 1 A 229 229 ILE HA H 442 3.300 3.452 -0.152 1 1 2221 . 16 1 1 A 229 229 ILE C C 442 177.728 178.477 -0.749 1 1 2222 . 16 1 1 A 229 229 ILE CA C 442 66.069 65.055 1.014 1 1 2223 . 16 1 1 A 229 229 ILE CB C 442 38.260 37.680 0.580 1 1 2227 . 16 1 1 A 229 229 ILE N N 442 119.411 122.832 -3.421 1 1 2228 . 16 1 1 A 230 230 LEU H H 443 8.530 7.695 0.835 1 1 2229 . 16 1 1 A 230 230 LEU HA H 443 3.958 3.956 0.002 1 1 2239 . 16 1 1 A 230 230 LEU C C 443 178.689 178.211 0.478 1 1 2240 . 16 1 1 A 230 230 LEU CA C 443 57.697 57.315 0.382 1 1 2241 . 16 1 1 A 230 230 LEU CB C 443 42.191 41.268 0.923 1 1 2245 . 16 1 1 A 230 230 LEU N N 443 116.186 120.818 -4.632 1 1 2246 . 16 1 1 A 231 231 THR H H 444 8.008 7.435 0.573 1 1 2247 . 16 1 1 A 231 231 THR HA H 444 4.153 4.429 -0.276 1 1 2252 . 16 1 1 A 231 231 THR C C 444 175.208 175.976 -0.768 1 1 2253 . 16 1 1 A 231 231 THR CA C 444 65.327 61.908 3.419 1 1 2254 . 16 1 1 A 231 231 THR CB C 444 69.718 69.603 0.115 1 1 2256 . 16 1 1 A 231 231 THR N N 444 112.075 110.162 1.913 1 1 2257 . 16 1 1 A 232 232 GLU H H 445 7.717 7.860 -0.143 1 1 2258 . 16 1 1 A 232 232 GLU HA H 445 4.186 4.058 0.128 1 1 2259 . 16 1 1 A 232 232 GLU C C 445 177.156 178.943 -1.787 1 1 2260 . 16 1 1 A 232 232 GLU CA C 445 57.891 58.791 -0.900 1 1 2261 . 16 1 1 A 232 232 GLU CB C 445 28.836 29.199 -0.363 1 1 2263 . 16 1 1 A 232 232 GLU N N 445 120.074 121.802 -1.728 1 1 2294 . 16 1 1 A 252 252 GLN H H 465 8.586 8.383 0.203 1 1 2295 . 16 1 1 A 252 252 GLN HA H 465 4.689 4.958 -0.269 1 1 2296 . 16 1 1 A 252 252 GLN C C 465 174.446 172.977 1.469 1 1 2297 . 16 1 1 A 252 252 GLN CA C 465 53.682 53.451 0.231 1 1 2298 . 16 1 1 A 252 252 GLN CB C 465 28.537 29.703 -1.166 1 1 2300 . 16 1 1 A 252 252 GLN N N 465 121.782 120.086 1.696 1 1 2301 . 16 1 1 A 253 253 PRO HA H 466 4.902 4.470 0.432 1 1 2302 . 16 1 1 A 253 253 PRO C C 466 174.937 175.755 -0.818 1 1 2303 . 16 1 1 A 253 253 PRO CA C 466 63.075 62.580 0.495 1 1 2304 . 16 1 1 A 253 253 PRO CB C 466 32.384 32.363 0.021 1 1 2307 . 16 1 1 A 254 254 THR H H 467 8.556 7.747 0.809 1 1 2308 . 16 1 1 A 254 254 THR HA H 467 4.659 4.621 0.038 1 1 2313 . 16 1 1 A 254 254 THR C C 467 172.995 173.110 -0.115 1 1 2314 . 16 1 1 A 254 254 THR CA C 467 61.740 61.115 0.625 1 1 2315 . 16 1 1 A 254 254 THR CB C 467 70.195 70.525 -0.330 1 1 2317 . 16 1 1 A 254 254 THR N N 467 115.754 117.930 -2.176 1 1 2318 . 16 1 1 A 255 255 PHE H H 468 8.560 8.618 -0.058 1 1 2319 . 16 1 1 A 255 255 PHE HA H 468 5.502 4.904 0.598 1 1 2322 . 16 1 1 A 255 255 PHE C C 468 173.198 174.824 -1.626 1 1 2323 . 16 1 1 A 255 255 PHE CA C 468 56.283 56.381 -0.098 1 1 2324 . 16 1 1 A 255 255 PHE CB C 468 43.426 43.183 0.243 1 1 2325 . 16 1 1 A 255 255 PHE N N 468 120.481 124.404 -3.923 1 1 2326 . 16 1 1 A 256 256 THR H H 469 9.702 9.034 0.668 1 1 2327 . 16 1 1 A 256 256 THR HA H 469 4.662 5.192 -0.530 1 1 2332 . 16 1 1 A 256 256 THR C C 469 176.561 173.181 3.380 1 1 2333 . 16 1 1 A 256 256 THR CA C 469 59.948 60.587 -0.639 1 1 2334 . 16 1 1 A 256 256 THR CB C 469 69.145 71.028 -1.883 1 1 2336 . 16 1 1 A 256 256 THR N N 469 108.601 113.950 -5.349 1 1 2337 . 16 1 1 A 257 257 LEU H H 470 7.235 9.165 -1.930 1 1 2338 . 16 1 1 A 257 257 LEU HA H 470 4.401 5.192 -0.791 1 1 2348 . 16 1 1 A 257 257 LEU C C 470 175.975 176.868 -0.893 1 1 2349 . 16 1 1 A 257 257 LEU CA C 470 55.492 53.613 1.879 1 1 2350 . 16 1 1 A 257 257 LEU CB C 470 41.850 45.433 -3.583 1 1 2354 . 16 1 1 A 257 257 LEU N N 470 120.802 127.571 -6.769 1 1 2355 . 16 1 1 A 258 258 ARG H H 471 8.228 8.662 -0.434 1 1 2356 . 16 1 1 A 258 258 ARG HA H 471 4.631 4.636 -0.005 1 1 2363 . 16 1 1 A 258 258 ARG C C 471 174.114 175.065 -0.951 1 1 2364 . 16 1 1 A 258 258 ARG CA C 471 55.071 55.683 -0.612 1 1 2365 . 16 1 1 A 258 258 ARG CB C 471 32.470 30.687 1.783 1 1 2368 . 16 1 1 A 258 258 ARG N N 471 118.883 118.834 0.049 1 1 2369 . 16 1 1 A 259 259 LYS H H 472 7.217 7.736 -0.519 1 1 2370 . 16 1 1 A 259 259 LYS HA H 472 4.260 4.636 -0.376 1 1 2379 . 16 1 1 A 259 259 LYS C C 472 174.571 174.282 0.289 1 1 2380 . 16 1 1 A 259 259 LYS CA C 472 53.269 54.789 -1.520 1 1 2381 . 16 1 1 A 259 259 LYS CB C 472 36.332 35.073 1.259 1 1 2385 . 16 1 1 A 259 259 LYS N N 472 116.031 116.462 -0.431 1 1 2386 . 16 1 1 A 260 260 LYS H H 473 8.357 8.490 -0.133 1 1 2387 . 16 1 1 A 260 260 LYS HA H 473 4.297 4.357 -0.060 1 1 2396 . 16 1 1 A 260 260 LYS C C 473 174.137 175.384 -1.247 1 1 2397 . 16 1 1 A 260 260 LYS CA C 473 57.258 56.754 0.504 1 1 2398 . 16 1 1 A 260 260 LYS CB C 473 33.561 33.556 0.005 1 1 2402 . 16 1 1 A 260 260 LYS N N 473 119.377 122.622 -3.245 1 1 2403 . 16 1 1 A 261 261 LEU H H 474 9.288 8.646 0.642 1 1 2404 . 16 1 1 A 261 261 LEU HA H 474 5.048 4.812 0.236 1 1 2414 . 16 1 1 A 261 261 LEU C C 474 172.558 175.174 -2.616 1 1 2415 . 16 1 1 A 261 261 LEU CA C 474 53.327 54.502 -1.175 1 1 2416 . 16 1 1 A 261 261 LEU CB C 474 44.313 42.776 1.537 1 1 2420 . 16 1 1 A 261 261 LEU N N 474 126.482 124.935 1.547 1 1 2421 . 16 1 1 A 262 262 VAL H H 475 8.876 9.092 -0.216 1 1 2422 . 16 1 1 A 262 262 VAL HA H 475 4.238 5.040 -0.802 1 1 2430 . 16 1 1 A 262 262 VAL C C 475 174.243 175.099 -0.856 1 1 2431 . 16 1 1 A 262 262 VAL CA C 475 59.734 61.117 -1.383 1 1 2432 . 16 1 1 A 262 262 VAL CB C 475 34.790 34.855 -0.065 1 1 2435 . 16 1 1 A 262 262 VAL N N 475 124.316 125.790 -1.474 1 1 2436 . 16 1 1 A 263 263 PHE H H 476 8.826 8.966 -0.140 1 1 2437 . 16 1 1 A 263 263 PHE HA H 476 5.518 5.008 0.510 1 1 2443 . 16 1 1 A 263 263 PHE C C 476 171.887 174.086 -2.199 1 1 2444 . 16 1 1 A 263 263 PHE CA C 476 52.082 55.618 -3.536 1 1 2445 . 16 1 1 A 263 263 PHE CB C 476 39.792 40.817 -1.025 1 1 2449 . 16 1 1 A 263 263 PHE N N 476 122.867 125.626 -2.759 1 1 2450 . 16 1 1 A 264 264 PRO HA H 477 4.649 4.755 -0.106 1 1 2457 . 16 1 1 A 264 264 PRO C C 477 178.322 177.042 1.280 1 1 2458 . 16 1 1 A 264 264 PRO CA C 477 62.333 62.636 -0.303 1 1 2459 . 16 1 1 A 264 264 PRO CB C 477 32.553 33.363 -0.810 1 1 2462 . 16 1 1 A 265 265 SER H H 478 8.763 8.857 -0.094 1 1 2463 . 16 1 1 A 265 265 SER HA H 478 4.494 4.403 0.091 1 1 2466 . 16 1 1 A 265 265 SER C C 478 173.725 175.209 -1.484 1 1 2467 . 16 1 1 A 265 265 SER CA C 478 59.060 61.251 -2.191 1 1 2468 . 16 1 1 A 265 265 SER CB C 478 64.038 63.155 0.883 1 1 2469 . 16 1 1 A 265 265 SER N N 478 116.725 117.030 -0.305 1 1 17 . 17 1 1 A 12 12 VAL H H 225 7.819 8.872 -1.053 1 1 18 . 17 1 1 A 12 12 VAL HA H 225 4.946 3.636 1.310 1 1 26 . 17 1 1 A 12 12 VAL C C 225 175.898 177.699 -1.801 1 1 27 . 17 1 1 A 12 12 VAL CA C 225 59.650 65.530 -5.880 1 1 28 . 17 1 1 A 12 12 VAL CB C 225 35.296 31.140 4.156 1 1 31 . 17 1 1 A 12 12 VAL N N 225 117.637 122.866 -5.229 1 1 32 . 17 1 1 A 13 13 TYR H H 226 8.318 8.410 -0.092 1 1 33 . 17 1 1 A 13 13 TYR HA H 226 4.291 4.114 0.177 1 1 36 . 17 1 1 A 13 13 TYR C C 226 176.911 177.577 -0.666 1 1 37 . 17 1 1 A 13 13 TYR CA C 226 60.063 60.343 -0.280 1 1 38 . 17 1 1 A 13 13 TYR CB C 226 37.843 38.992 -1.149 1 1 39 . 17 1 1 A 13 13 TYR N N 226 122.976 121.334 1.642 1 1 40 . 17 1 1 A 14 14 GLN H H 227 9.128 7.984 1.144 1 1 41 . 17 1 1 A 14 14 GLN HA H 227 3.996 3.951 0.045 1 1 46 . 17 1 1 A 14 14 GLN C C 227 175.052 175.691 -0.639 1 1 47 . 17 1 1 A 14 14 GLN CA C 227 57.421 58.698 -1.277 1 1 48 . 17 1 1 A 14 14 GLN CB C 227 29.550 28.567 0.983 1 1 50 . 17 1 1 A 14 14 GLN N N 227 124.676 118.927 5.749 1 1 51 . 17 1 1 A 15 15 MET H H 228 8.465 7.934 0.531 1 1 52 . 17 1 1 A 15 15 MET HA H 228 5.210 4.258 0.952 1 1 60 . 17 1 1 A 15 15 MET C C 228 172.979 175.699 -2.720 1 1 61 . 17 1 1 A 15 15 MET CA C 228 52.955 56.797 -3.842 1 1 62 . 17 1 1 A 15 15 MET CB C 228 30.751 31.032 -0.281 1 1 65 . 17 1 1 A 15 15 MET N N 228 128.835 118.136 10.699 1 1 66 . 17 1 1 A 16 16 LYS H H 229 9.119 7.962 1.157 1 1 67 . 17 1 1 A 16 16 LYS HA H 229 4.558 4.083 0.475 1 1 76 . 17 1 1 A 16 16 LYS C C 229 176.209 177.258 -1.049 1 1 77 . 17 1 1 A 16 16 LYS CA C 229 55.916 59.445 -3.529 1 1 78 . 17 1 1 A 16 16 LYS CB C 229 35.555 32.270 3.285 1 1 82 . 17 1 1 A 16 16 LYS N N 229 120.235 119.686 0.549 1 1 83 . 17 1 1 A 17 17 SER H H 230 9.101 7.845 1.256 1 1 84 . 17 1 1 A 17 17 SER HA H 230 4.077 4.521 -0.444 1 1 87 . 17 1 1 A 17 17 SER C C 230 172.995 174.424 -1.429 1 1 88 . 17 1 1 A 17 17 SER CA C 230 59.615 58.275 1.340 1 1 89 . 17 1 1 A 17 17 SER CB C 230 64.482 62.482 2.000 1 1 90 . 17 1 1 A 17 17 SER N N 230 121.500 110.316 11.184 1 1 91 . 17 1 1 A 18 18 LYS H H 231 8.120 8.539 -0.419 1 1 92 . 17 1 1 A 18 18 LYS HA H 231 4.373 4.362 0.011 1 1 101 . 17 1 1 A 18 18 LYS C C 231 173.565 175.566 -2.001 1 1 102 . 17 1 1 A 18 18 LYS CA C 231 53.231 58.189 -4.958 1 1 103 . 17 1 1 A 18 18 LYS CB C 231 34.596 31.601 2.995 1 1 107 . 17 1 1 A 18 18 LYS N N 231 120.561 119.390 1.171 1 1 108 . 17 1 1 A 19 19 PRO HA H 232 4.898 4.804 0.094 1 1 115 . 17 1 1 A 19 19 PRO C C 232 176.162 176.985 -0.823 1 1 116 . 17 1 1 A 19 19 PRO CA C 232 62.838 63.135 -0.297 1 1 117 . 17 1 1 A 19 19 PRO CB C 232 34.997 32.737 2.260 1 1 120 . 17 1 1 A 20 20 ARG H H 233 8.782 8.785 -0.003 1 1 121 . 17 1 1 A 20 20 ARG HA H 233 3.651 4.600 -0.949 1 1 122 . 17 1 1 A 20 20 ARG C C 233 175.210 176.309 -1.099 1 1 123 . 17 1 1 A 20 20 ARG CA C 233 56.621 55.903 0.718 1 1 124 . 17 1 1 A 20 20 ARG CB C 233 30.581 31.773 -1.192 1 1 127 . 17 1 1 A 20 20 ARG N N 233 118.785 119.744 -0.959 1 1 128 . 17 1 1 A 21 21 GLY H H 234 6.490 7.952 -1.462 1 1 129 . 17 1 1 A 21 21 GLY HA2 H 234 4.312 3.565 0.747 1 1 130 . 17 1 1 A 21 21 GLY HA3 H 234 4.662 3.885 0.777 1 1 131 . 17 1 1 A 21 21 GLY C C 234 172.012 172.507 -0.495 1 1 132 . 17 1 1 A 21 21 GLY CA C 234 43.743 45.639 -1.896 1 1 133 . 17 1 1 A 21 21 GLY N N 234 128.529 108.017 20.512 1 1 134 . 17 1 1 A 22 22 TYR H H 235 9.327 8.801 0.526 1 1 135 . 17 1 1 A 22 22 TYR HA H 235 5.260 5.288 -0.028 1 1 140 . 17 1 1 A 22 22 TYR C C 235 173.931 173.852 0.079 1 1 141 . 17 1 1 A 22 22 TYR CA C 235 58.287 56.504 1.783 1 1 142 . 17 1 1 A 22 22 TYR CB C 235 39.762 40.683 -0.921 1 1 145 . 17 1 1 A 22 22 TYR N N 235 119.429 123.006 -3.577 1 1 146 . 17 1 1 A 23 23 CYS H H 236 8.665 8.734 -0.069 1 1 147 . 17 1 1 A 23 23 CYS HA H 236 4.928 5.007 -0.079 1 1 148 . 17 1 1 A 23 23 CYS C C 236 172.970 172.686 0.284 1 1 149 . 17 1 1 A 23 23 CYS CA C 236 55.636 57.225 -1.589 1 1 150 . 17 1 1 A 23 23 CYS CB C 236 50.040 30.744 19.296 1 1 151 . 17 1 1 A 23 23 CYS N N 236 120.485 125.116 -4.631 1 1 152 . 17 1 1 A 24 24 LEU H H 237 8.619 8.667 -0.048 1 1 153 . 17 1 1 A 24 24 LEU HA H 237 4.691 5.043 -0.352 1 1 163 . 17 1 1 A 24 24 LEU C C 237 175.850 175.802 0.048 1 1 164 . 17 1 1 A 24 24 LEU CA C 237 54.053 53.705 0.348 1 1 165 . 17 1 1 A 24 24 LEU CB C 237 44.117 43.064 1.053 1 1 169 . 17 1 1 A 24 24 LEU N N 237 129.465 126.507 2.958 1 1 170 . 17 1 1 A 25 25 ILE H H 238 8.304 9.132 -0.828 1 1 171 . 17 1 1 A 25 25 ILE HA H 238 4.639 5.036 -0.397 1 1 179 . 17 1 1 A 25 25 ILE C C 238 174.032 175.378 -1.346 1 1 180 . 17 1 1 A 25 25 ILE CA C 238 60.879 59.778 1.101 1 1 181 . 17 1 1 A 25 25 ILE CB C 238 41.165 39.520 1.645 1 1 185 . 17 1 1 A 25 25 ILE N N 238 122.597 125.264 -2.667 1 1 186 . 17 1 1 A 26 26 ILE H H 239 9.025 9.019 0.006 1 1 187 . 17 1 1 A 26 26 ILE HA H 239 4.778 5.165 -0.387 1 1 197 . 17 1 1 A 26 26 ILE C C 239 173.104 174.574 -1.470 1 1 198 . 17 1 1 A 26 26 ILE CA C 239 60.733 59.791 0.942 1 1 199 . 17 1 1 A 26 26 ILE CB C 239 38.237 40.741 -2.504 1 1 203 . 17 1 1 A 26 26 ILE N N 239 129.303 127.470 1.833 1 1 204 . 17 1 1 A 27 27 ASN H H 240 8.957 9.169 -0.212 1 1 205 . 17 1 1 A 27 27 ASN HA H 240 5.174 5.669 -0.495 1 1 208 . 17 1 1 A 27 27 ASN C C 240 172.948 173.599 -0.651 1 1 209 . 17 1 1 A 27 27 ASN CA C 240 52.055 52.052 0.003 1 1 210 . 17 1 1 A 27 27 ASN CB C 240 40.530 43.075 -2.545 1 1 211 . 17 1 1 A 27 27 ASN N N 240 125.494 126.006 -0.512 1 1 212 . 17 1 1 A 28 28 ASN H H 241 9.118 9.013 0.105 1 1 213 . 17 1 1 A 28 28 ASN HA H 241 5.106 5.438 -0.332 1 1 216 . 17 1 1 A 28 28 ASN C C 241 172.184 174.922 -2.738 1 1 217 . 17 1 1 A 28 28 ASN CA C 241 52.599 51.342 1.257 1 1 218 . 17 1 1 A 28 28 ASN CB C 241 38.296 42.648 -4.352 1 1 219 . 17 1 1 A 28 28 ASN N N 241 125.089 118.360 6.729 1 1 220 . 17 1 1 A 29 29 HIS H H 242 9.512 8.835 0.677 1 1 221 . 17 1 1 A 29 29 HIS HA H 242 4.384 4.910 -0.526 1 1 224 . 17 1 1 A 29 29 HIS C C 242 173.519 174.140 -0.621 1 1 225 . 17 1 1 A 29 29 HIS CA C 242 59.174 55.314 3.860 1 1 226 . 17 1 1 A 29 29 HIS CB C 242 28.022 30.277 -2.255 1 1 227 . 17 1 1 A 29 29 HIS N N 242 125.634 118.212 7.422 1 1 228 . 17 1 1 A 30 30 ASN H H 243 8.623 7.698 0.925 1 1 229 . 17 1 1 A 30 30 ASN HA H 243 4.148 5.034 -0.886 1 1 234 . 17 1 1 A 30 30 ASN C C 243 175.052 174.394 0.658 1 1 235 . 17 1 1 A 30 30 ASN CA C 243 53.229 51.939 1.290 1 1 236 . 17 1 1 A 30 30 ASN CB C 243 38.980 42.134 -3.154 1 1 237 . 17 1 1 A 30 30 ASN N N 243 119.059 117.429 1.630 1 1 239 . 17 1 1 A 31 31 PHE H H 244 8.676 7.875 0.801 1 1 240 . 17 1 1 A 31 31 PHE HA H 244 4.686 4.969 -0.283 1 1 243 . 17 1 1 A 31 31 PHE C C 244 174.399 176.687 -2.288 1 1 244 . 17 1 1 A 31 31 PHE CA C 244 57.688 56.891 0.797 1 1 245 . 17 1 1 A 31 31 PHE CB C 244 39.026 39.481 -0.455 1 1 246 . 17 1 1 A 31 31 PHE N N 244 124.091 118.145 5.946 1 1 247 . 17 1 1 A 32 32 ALA H H 245 8.244 7.790 0.454 1 1 248 . 17 1 1 A 32 32 ALA HA H 245 3.869 3.969 -0.100 1 1 252 . 17 1 1 A 32 32 ALA C C 245 180.452 179.183 1.269 1 1 253 . 17 1 1 A 32 32 ALA CA C 245 56.274 55.357 0.917 1 1 254 . 17 1 1 A 32 32 ALA CB C 245 18.181 18.919 -0.738 1 1 255 . 17 1 1 A 32 32 ALA N N 245 122.713 123.890 -1.177 1 1 256 . 17 1 1 A 33 33 LYS H H 246 8.964 8.072 0.892 1 1 257 . 17 1 1 A 33 33 LYS HA H 246 4.089 4.497 -0.408 1 1 266 . 17 1 1 A 33 33 LYS C C 246 177.441 178.190 -0.749 1 1 267 . 17 1 1 A 33 33 LYS CA C 246 58.632 56.284 2.348 1 1 268 . 17 1 1 A 33 33 LYS CB C 246 30.418 33.467 -3.049 1 1 272 . 17 1 1 A 33 33 LYS N N 246 116.888 115.305 1.583 1 1 273 . 17 1 1 A 34 34 ALA H H 247 7.088 8.505 -1.417 1 1 274 . 17 1 1 A 34 34 ALA HA H 247 3.752 4.105 -0.353 1 1 278 . 17 1 1 A 34 34 ALA C C 247 177.581 179.720 -2.139 1 1 279 . 17 1 1 A 34 34 ALA CA C 247 55.502 54.551 0.951 1 1 280 . 17 1 1 A 34 34 ALA CB C 247 18.099 18.601 -0.502 1 1 281 . 17 1 1 A 34 34 ALA N N 247 122.047 122.329 -0.282 1 1 282 . 17 1 1 A 35 35 ARG H H 248 7.706 8.344 -0.638 1 1 283 . 17 1 1 A 35 35 ARG HA H 248 4.338 4.135 0.203 1 1 292 . 17 1 1 A 35 35 ARG C C 248 179.094 178.115 0.979 1 1 293 . 17 1 1 A 35 35 ARG CA C 248 56.283 59.056 -2.773 1 1 294 . 17 1 1 A 35 35 ARG CB C 248 30.668 30.194 0.474 1 1 297 . 17 1 1 A 35 35 ARG N N 248 112.008 117.484 -5.476 1 1 299 . 17 1 1 A 36 36 GLU H H 249 7.707 7.480 0.227 1 1 300 . 17 1 1 A 36 36 GLU HA H 249 4.121 4.241 -0.120 1 1 305 . 17 1 1 A 36 36 GLU C C 249 178.205 179.068 -0.863 1 1 306 . 17 1 1 A 36 36 GLU CA C 249 58.194 58.606 -0.412 1 1 307 . 17 1 1 A 36 36 GLU CB C 249 30.596 30.346 0.250 1 1 309 . 17 1 1 A 36 36 GLU N N 249 116.945 119.329 -2.384 1 1 310 . 17 1 1 A 37 37 LYS H H 250 7.954 7.695 0.259 1 1 311 . 17 1 1 A 37 37 LYS HA H 250 4.381 4.144 0.237 1 1 320 . 17 1 1 A 37 37 LYS C C 250 176.772 176.600 0.172 1 1 321 . 17 1 1 A 37 37 LYS CA C 250 57.323 59.170 -1.847 1 1 322 . 17 1 1 A 37 37 LYS CB C 250 34.892 32.671 2.221 1 1 326 . 17 1 1 A 37 37 LYS N N 250 114.798 120.351 -5.553 1 1 327 . 17 1 1 A 38 38 VAL H H 251 8.298 8.089 0.209 1 1 328 . 17 1 1 A 38 38 VAL HA H 251 4.582 4.512 0.070 1 1 336 . 17 1 1 A 38 38 VAL C C 251 174.903 174.196 0.707 1 1 337 . 17 1 1 A 38 38 VAL CA C 251 60.316 58.828 1.488 1 1 338 . 17 1 1 A 38 38 VAL CB C 251 32.374 31.706 0.668 1 1 341 . 17 1 1 A 38 38 VAL N N 251 120.907 119.645 1.262 1 1 342 . 17 1 1 A 40 40 LYS H H 253 8.588 7.998 0.590 1 1 343 . 17 1 1 A 40 40 LYS HA H 253 4.275 4.107 0.168 1 1 352 . 17 1 1 A 40 40 LYS C C 253 176.447 178.037 -1.590 1 1 353 . 17 1 1 A 40 40 LYS CA C 253 58.550 59.354 -0.804 1 1 354 . 17 1 1 A 40 40 LYS CB C 253 31.568 31.844 -0.276 1 1 358 . 17 1 1 A 40 40 LYS N N 253 113.861 118.618 -4.757 1 1 359 . 17 1 1 A 41 41 LEU H H 254 7.948 7.839 0.109 1 1 360 . 17 1 1 A 41 41 LEU HA H 254 4.391 4.190 0.201 1 1 370 . 17 1 1 A 41 41 LEU C C 254 175.989 178.659 -2.670 1 1 371 . 17 1 1 A 41 41 LEU CA C 254 53.279 55.873 -2.594 1 1 372 . 17 1 1 A 41 41 LEU CB C 254 40.369 41.656 -1.287 1 1 376 . 17 1 1 A 41 41 LEU N N 254 118.998 119.373 -0.375 1 1 377 . 17 1 1 A 42 42 HIS H H 255 7.167 7.998 -0.831 1 1 378 . 17 1 1 A 42 42 HIS HA H 255 4.376 4.216 0.160 1 1 382 . 17 1 1 A 42 42 HIS C C 255 174.836 177.846 -3.010 1 1 383 . 17 1 1 A 42 42 HIS CA C 255 59.188 59.106 0.082 1 1 384 . 17 1 1 A 42 42 HIS CB C 255 30.311 30.398 -0.087 1 1 386 . 17 1 1 A 42 42 HIS N N 255 116.251 119.998 -3.747 1 1 387 . 17 1 1 A 43 43 SER H H 256 7.735 7.732 0.003 1 1 388 . 17 1 1 A 43 43 SER HA H 256 4.490 4.135 0.355 1 1 391 . 17 1 1 A 43 43 SER C C 256 174.045 174.303 -0.258 1 1 392 . 17 1 1 A 43 43 SER CA C 256 56.420 58.466 -2.046 1 1 393 . 17 1 1 A 43 43 SER CB C 256 64.093 63.312 0.781 1 1 394 . 17 1 1 A 43 43 SER N N 256 110.725 112.769 -2.044 1 1 395 . 17 1 1 A 44 44 ILE H H 257 7.403 7.396 0.007 1 1 396 . 17 1 1 A 44 44 ILE HA H 257 3.806 3.956 -0.150 1 1 406 . 17 1 1 A 44 44 ILE C C 257 174.321 175.158 -0.837 1 1 407 . 17 1 1 A 44 44 ILE CA C 257 61.640 61.586 0.054 1 1 408 . 17 1 1 A 44 44 ILE CB C 257 38.324 39.183 -0.859 1 1 412 . 17 1 1 A 44 44 ILE N N 257 124.717 121.658 3.059 1 1 413 . 17 1 1 A 45 45 ARG H H 258 8.043 8.228 -0.185 1 1 414 . 17 1 1 A 45 45 ARG HA H 258 4.201 4.331 -0.130 1 1 421 . 17 1 1 A 45 45 ARG C C 258 177.535 176.719 0.816 1 1 422 . 17 1 1 A 45 45 ARG CA C 258 55.412 55.882 -0.470 1 1 423 . 17 1 1 A 45 45 ARG CB C 258 31.546 31.924 -0.378 1 1 426 . 17 1 1 A 45 45 ARG N N 258 124.319 127.279 -2.960 1 1 427 . 17 1 1 A 46 46 ASP H H 259 8.584 9.008 -0.424 1 1 428 . 17 1 1 A 46 46 ASP HA H 259 5.096 4.295 0.801 1 1 431 . 17 1 1 A 46 46 ASP C C 259 177.819 176.055 1.764 1 1 432 . 17 1 1 A 46 46 ASP CA C 259 55.248 56.571 -1.323 1 1 433 . 17 1 1 A 46 46 ASP CB C 259 39.614 39.931 -0.317 1 1 434 . 17 1 1 A 46 46 ASP N N 259 120.371 123.939 -3.568 1 1 435 . 17 1 1 A 47 47 ARG H H 260 8.632 7.572 1.060 1 1 442 . 17 1 1 A 47 47 ARG CA C 260 56.228 55.494 0.734 1 1 443 . 17 1 1 A 47 47 ARG CB C 260 26.981 29.719 -2.738 1 1 445 . 17 1 1 A 47 47 ARG N N 260 123.120 120.895 2.225 1 1 447 . 17 1 1 A 51 51 HIS HA H 264 4.293 4.617 -0.324 1 1 451 . 17 1 1 A 51 51 HIS C C 264 178.002 176.923 1.079 1 1 452 . 17 1 1 A 51 51 HIS CA C 264 60.062 57.173 2.889 1 1 453 . 17 1 1 A 51 51 HIS CB C 264 29.109 29.550 -0.441 1 1 455 . 17 1 1 A 52 52 LEU H H 265 7.474 7.793 -0.319 1 1 456 . 17 1 1 A 52 52 LEU HA H 265 4.125 3.731 0.394 1 1 466 . 17 1 1 A 52 52 LEU C C 265 180.623 178.505 2.118 1 1 467 . 17 1 1 A 52 52 LEU CA C 265 56.921 58.050 -1.129 1 1 468 . 17 1 1 A 52 52 LEU CB C 265 40.572 41.364 -0.792 1 1 472 . 17 1 1 A 52 52 LEU N N 265 122.692 121.040 1.652 1 1 473 . 17 1 1 A 53 53 ASP H H 266 6.993 8.644 -1.651 1 1 474 . 17 1 1 A 53 53 ASP C C 266 176.536 178.030 -1.494 1 1 475 . 17 1 1 A 53 53 ASP CA C 266 56.718 56.971 -0.253 1 1 476 . 17 1 1 A 53 53 ASP CB C 266 39.787 40.008 -0.221 1 1 477 . 17 1 1 A 53 53 ASP N N 266 122.192 118.299 3.893 1 1 478 . 17 1 1 A 54 54 ALA H H 267 8.217 8.539 -0.322 1 1 479 . 17 1 1 A 54 54 ALA HA H 267 3.840 4.116 -0.276 1 1 483 . 17 1 1 A 54 54 ALA C C 267 180.507 179.972 0.535 1 1 484 . 17 1 1 A 54 54 ALA CA C 267 55.836 54.955 0.881 1 1 485 . 17 1 1 A 54 54 ALA CB C 267 17.386 18.544 -1.158 1 1 486 . 17 1 1 A 54 54 ALA N N 267 121.612 121.782 -0.170 1 1 487 . 17 1 1 A 55 55 GLY H H 268 8.481 8.092 0.389 1 1 488 . 17 1 1 A 55 55 GLY C C 268 174.929 175.929 -1.000 1 1 489 . 17 1 1 A 55 55 GLY CA C 268 46.546 47.139 -0.593 1 1 490 . 17 1 1 A 55 55 GLY N N 268 107.453 105.642 1.811 1 1 491 . 17 1 1 A 56 56 ALA H H 269 7.759 7.626 0.133 1 1 492 . 17 1 1 A 56 56 ALA HA H 269 4.190 3.996 0.194 1 1 496 . 17 1 1 A 56 56 ALA C C 269 180.493 180.376 0.117 1 1 497 . 17 1 1 A 56 56 ALA CA C 269 55.311 54.489 0.822 1 1 498 . 17 1 1 A 56 56 ALA CB C 269 17.951 18.499 -0.548 1 1 499 . 17 1 1 A 56 56 ALA N N 269 125.518 125.225 0.293 1 1 500 . 17 1 1 A 57 57 LEU H H 270 8.224 7.762 0.462 1 1 501 . 17 1 1 A 57 57 LEU HA H 270 3.840 4.092 -0.252 1 1 506 . 17 1 1 A 57 57 LEU C C 270 177.499 179.313 -1.814 1 1 507 . 17 1 1 A 57 57 LEU CA C 270 58.315 57.867 0.448 1 1 508 . 17 1 1 A 57 57 LEU CB C 270 43.182 41.772 1.410 1 1 511 . 17 1 1 A 57 57 LEU N N 270 121.610 120.445 1.165 1 1 512 . 17 1 1 A 58 58 THR H H 271 7.976 8.544 -0.568 1 1 513 . 17 1 1 A 58 58 THR HA H 271 4.432 3.955 0.477 1 1 518 . 17 1 1 A 58 58 THR C C 271 174.457 176.134 -1.677 1 1 519 . 17 1 1 A 58 58 THR CA C 271 68.788 66.797 1.991 1 1 520 . 17 1 1 A 58 58 THR CB C 271 67.557 68.604 -1.047 1 1 522 . 17 1 1 A 58 58 THR N N 271 115.528 115.998 -0.470 1 1 523 . 17 1 1 A 59 59 THR H H 272 8.085 8.776 -0.691 1 1 524 . 17 1 1 A 59 59 THR HA H 272 3.911 3.968 -0.057 1 1 529 . 17 1 1 A 59 59 THR C C 272 176.131 176.827 -0.696 1 1 530 . 17 1 1 A 59 59 THR CA C 272 65.908 65.236 0.672 1 1 531 . 17 1 1 A 59 59 THR CB C 272 69.045 68.817 0.228 1 1 533 . 17 1 1 A 59 59 THR N N 272 114.864 114.129 0.735 1 1 534 . 17 1 1 A 60 60 THR H H 273 7.875 7.997 -0.122 1 1 535 . 17 1 1 A 60 60 THR HA H 273 3.423 3.694 -0.271 1 1 540 . 17 1 1 A 60 60 THR C C 273 175.166 175.510 -0.344 1 1 541 . 17 1 1 A 60 60 THR CA C 273 67.291 66.556 0.735 1 1 542 . 17 1 1 A 60 60 THR CB C 273 68.824 68.528 0.296 1 1 544 . 17 1 1 A 60 60 THR N N 273 116.718 117.246 -0.528 1 1 545 . 17 1 1 A 61 61 PHE H H 274 8.219 7.756 0.463 1 1 546 . 17 1 1 A 61 61 PHE HA H 274 4.213 4.477 -0.264 1 1 552 . 17 1 1 A 61 61 PHE C C 274 178.034 177.933 0.101 1 1 553 . 17 1 1 A 61 61 PHE CA C 274 63.308 60.918 2.390 1 1 554 . 17 1 1 A 61 61 PHE CB C 274 37.080 40.140 -3.060 1 1 558 . 17 1 1 A 61 61 PHE N N 274 114.721 117.157 -2.436 1 1 559 . 17 1 1 A 62 62 GLU H H 275 8.810 8.900 -0.090 1 1 560 . 17 1 1 A 62 62 GLU HA H 275 4.416 3.879 0.537 1 1 565 . 17 1 1 A 62 62 GLU C C 275 181.232 179.358 1.874 1 1 566 . 17 1 1 A 62 62 GLU CA C 275 60.190 59.909 0.281 1 1 567 . 17 1 1 A 62 62 GLU CB C 275 28.990 29.041 -0.051 1 1 569 . 17 1 1 A 62 62 GLU N N 275 123.787 121.693 2.094 1 1 570 . 17 1 1 A 63 63 GLU H H 276 7.698 8.243 -0.545 1 1 571 . 17 1 1 A 63 63 GLU HA H 276 3.871 3.906 -0.035 1 1 575 . 17 1 1 A 63 63 GLU C C 276 176.721 176.978 -0.257 1 1 576 . 17 1 1 A 63 63 GLU CA C 276 58.821 58.513 0.308 1 1 577 . 17 1 1 A 63 63 GLU CB C 276 29.251 28.388 0.863 1 1 579 . 17 1 1 A 63 63 GLU N N 276 120.707 116.993 3.714 1 1 580 . 17 1 1 A 64 64 LEU H H 277 6.708 7.413 -0.705 1 1 581 . 17 1 1 A 64 64 LEU HA H 277 4.148 4.264 -0.116 1 1 589 . 17 1 1 A 64 64 LEU C C 277 174.571 176.098 -1.527 1 1 590 . 17 1 1 A 64 64 LEU CA C 277 54.060 54.913 -0.853 1 1 594 . 17 1 1 A 64 64 LEU N N 277 115.451 118.715 -3.264 1 1 595 . 17 1 1 A 65 65 HIS H H 278 7.388 8.148 -0.760 1 1 596 . 17 1 1 A 65 65 HIS HA H 278 4.259 4.094 0.165 1 1 599 . 17 1 1 A 65 65 HIS C C 278 174.571 173.853 0.718 1 1 600 . 17 1 1 A 65 65 HIS CA C 278 57.737 56.826 0.911 1 1 601 . 17 1 1 A 65 65 HIS CB C 278 26.020 26.669 -0.649 1 1 602 . 17 1 1 A 65 65 HIS N N 278 107.287 115.418 -8.131 1 1 603 . 17 1 1 A 66 66 PHE H H 279 8.554 7.637 0.917 1 1 604 . 17 1 1 A 66 66 PHE HA H 279 4.462 5.101 -0.639 1 1 610 . 17 1 1 A 66 66 PHE C C 279 174.258 174.246 0.012 1 1 611 . 17 1 1 A 66 66 PHE CA C 279 58.032 55.067 2.965 1 1 612 . 17 1 1 A 66 66 PHE CB C 279 39.809 41.505 -1.696 1 1 616 . 17 1 1 A 66 66 PHE N N 279 117.992 114.597 3.395 1 1 617 . 17 1 1 A 67 67 GLU H H 280 8.403 8.716 -0.313 1 1 618 . 17 1 1 A 67 67 GLU HA H 280 4.631 4.276 0.355 1 1 621 . 17 1 1 A 67 67 GLU C C 280 174.640 175.314 -0.674 1 1 622 . 17 1 1 A 67 67 GLU CA C 280 55.467 56.861 -1.394 1 1 623 . 17 1 1 A 67 67 GLU CB C 280 30.671 29.249 1.422 1 1 625 . 17 1 1 A 67 67 GLU N N 280 120.980 119.096 1.884 1 1 626 . 17 1 1 A 68 68 ILE H H 281 8.988 8.011 0.977 1 1 627 . 17 1 1 A 68 68 ILE HA H 281 4.491 4.524 -0.033 1 1 636 . 17 1 1 A 68 68 ILE C C 281 176.177 173.955 2.222 1 1 637 . 17 1 1 A 68 68 ILE CA C 281 59.688 60.129 -0.441 1 1 638 . 17 1 1 A 68 68 ILE CB C 281 35.090 39.755 -4.665 1 1 642 . 17 1 1 A 68 68 ILE N N 281 127.994 126.420 1.574 1 1 643 . 17 1 1 A 69 69 LYS H H 282 8.559 8.838 -0.279 1 1 644 . 17 1 1 A 69 69 LYS HA H 282 4.981 4.823 0.158 1 1 645 . 17 1 1 A 69 69 LYS CA C 282 50.465 52.411 -1.946 1 1 646 . 17 1 1 A 69 69 LYS CB C 282 32.762 33.513 -0.751 1 1 649 . 17 1 1 A 69 69 LYS N N 282 126.350 129.663 -3.313 1 1 650 . 17 1 1 A 70 70 PRO HA H 283 5.133 4.654 0.479 1 1 651 . 17 1 1 A 70 70 PRO C C 283 176.378 176.174 0.204 1 1 652 . 17 1 1 A 70 70 PRO CA C 283 62.027 62.171 -0.144 1 1 653 . 17 1 1 A 70 70 PRO CB C 283 32.856 29.140 3.716 1 1 655 . 17 1 1 A 71 71 HIS H H 284 8.967 8.295 0.672 1 1 656 . 17 1 1 A 71 71 HIS HA H 284 4.465 4.820 -0.355 1 1 660 . 17 1 1 A 71 71 HIS C C 284 172.714 174.806 -2.092 1 1 661 . 17 1 1 A 71 71 HIS CA C 284 55.994 56.768 -0.774 1 1 662 . 17 1 1 A 71 71 HIS CB C 284 33.678 30.832 2.846 1 1 664 . 17 1 1 A 71 71 HIS N N 284 121.708 122.513 -0.805 1 1 665 . 17 1 1 A 72 72 ASP H H 285 8.625 8.421 0.204 1 1 666 . 17 1 1 A 72 72 ASP HA H 285 5.695 4.834 0.861 1 1 669 . 17 1 1 A 72 72 ASP C C 285 175.881 175.497 0.384 1 1 670 . 17 1 1 A 72 72 ASP CA C 285 53.201 51.945 1.256 1 1 671 . 17 1 1 A 72 72 ASP CB C 285 43.758 43.936 -0.178 1 1 672 . 17 1 1 A 72 72 ASP N N 285 122.941 122.327 0.614 1 1 673 . 17 1 1 A 73 73 ASP H H 286 9.212 8.370 0.842 1 1 674 . 17 1 1 A 73 73 ASP HA H 286 4.263 4.228 0.035 1 1 676 . 17 1 1 A 73 73 ASP C C 286 174.368 175.187 -0.819 1 1 677 . 17 1 1 A 73 73 ASP CA C 286 56.488 54.930 1.558 1 1 678 . 17 1 1 A 73 73 ASP CB C 286 39.083 38.614 0.469 1 1 679 . 17 1 1 A 73 73 ASP N N 286 119.175 120.026 -0.851 1 1 680 . 17 1 1 A 74 74 CYS H H 287 8.750 7.441 1.309 1 1 681 . 17 1 1 A 74 74 CYS HA H 287 4.854 4.589 0.265 1 1 684 . 17 1 1 A 74 74 CYS C C 287 176.146 174.673 1.473 1 1 685 . 17 1 1 A 74 74 CYS CA C 287 58.552 57.385 1.167 1 1 686 . 17 1 1 A 74 74 CYS CB C 287 53.204 27.067 26.137 1 1 687 . 17 1 1 A 74 74 CYS N N 287 119.631 119.032 0.599 1 1 688 . 17 1 1 A 75 75 THR H H 288 8.535 8.582 -0.047 1 1 689 . 17 1 1 A 75 75 THR HA H 288 4.163 4.637 -0.474 1 1 694 . 17 1 1 A 75 75 THR C C 288 174.663 176.343 -1.680 1 1 695 . 17 1 1 A 75 75 THR CA C 288 61.353 61.197 0.156 1 1 696 . 17 1 1 A 75 75 THR CB C 288 70.100 71.055 -0.955 1 1 698 . 17 1 1 A 75 75 THR N N 288 115.998 119.228 -3.230 1 1 699 . 17 1 1 A 76 76 VAL H H 289 8.083 8.496 -0.413 1 1 700 . 17 1 1 A 76 76 VAL HA H 289 3.414 3.646 -0.232 1 1 708 . 17 1 1 A 76 76 VAL C C 289 176.443 177.659 -1.216 1 1 709 . 17 1 1 A 76 76 VAL CA C 289 69.066 66.888 2.178 1 1 710 . 17 1 1 A 76 76 VAL CB C 289 30.361 31.534 -1.173 1 1 713 . 17 1 1 A 76 76 VAL N N 289 120.599 122.365 -1.766 1 1 714 . 17 1 1 A 77 77 GLU H H 290 9.095 8.254 0.841 1 1 715 . 17 1 1 A 77 77 GLU HA H 290 4.027 3.728 0.299 1 1 720 . 17 1 1 A 77 77 GLU C C 290 179.172 178.531 0.641 1 1 721 . 17 1 1 A 77 77 GLU CA C 290 59.831 59.092 0.739 1 1 722 . 17 1 1 A 77 77 GLU CB C 290 29.493 29.306 0.187 1 1 724 . 17 1 1 A 77 77 GLU N N 290 119.191 120.129 -0.938 1 1 725 . 17 1 1 A 78 78 GLN H H 291 7.523 7.744 -0.221 1 1 726 . 17 1 1 A 78 78 GLN HA H 291 4.079 4.126 -0.047 1 1 731 . 17 1 1 A 78 78 GLN C C 291 177.815 178.561 -0.746 1 1 732 . 17 1 1 A 78 78 GLN CA C 291 58.920 58.270 0.650 1 1 734 . 17 1 1 A 78 78 GLN N N 291 117.101 118.375 -1.274 1 1 735 . 17 1 1 A 79 79 ILE H H 292 8.368 7.792 0.576 1 1 736 . 17 1 1 A 79 79 ILE HA H 292 3.427 3.755 -0.328 1 1 746 . 17 1 1 A 79 79 ILE C C 292 177.133 177.929 -0.796 1 1 747 . 17 1 1 A 79 79 ILE CA C 292 67.132 64.983 2.149 1 1 748 . 17 1 1 A 79 79 ILE CB C 292 37.163 37.193 -0.030 1 1 752 . 17 1 1 A 79 79 ILE N N 292 120.006 120.551 -0.545 1 1 753 . 17 1 1 A 80 80 TYR H H 293 8.302 7.975 0.327 1 1 754 . 17 1 1 A 80 80 TYR HA H 293 4.179 4.349 -0.170 1 1 759 . 17 1 1 A 80 80 TYR C C 293 178.907 178.152 0.755 1 1 760 . 17 1 1 A 80 80 TYR CA C 293 61.737 60.635 1.102 1 1 761 . 17 1 1 A 80 80 TYR CB C 293 37.201 37.670 -0.469 1 1 764 . 17 1 1 A 80 80 TYR N N 293 116.291 120.168 -3.877 1 1 765 . 17 1 1 A 81 81 GLU H H 294 8.170 8.450 -0.280 1 1 766 . 17 1 1 A 81 81 GLU HA H 294 4.036 4.064 -0.028 1 1 771 . 17 1 1 A 81 81 GLU C C 294 178.414 179.325 -0.911 1 1 772 . 17 1 1 A 81 81 GLU CA C 294 59.768 59.067 0.701 1 1 773 . 17 1 1 A 81 81 GLU CB C 294 29.489 29.705 -0.216 1 1 775 . 17 1 1 A 81 81 GLU N N 294 120.325 120.226 0.099 1 1 776 . 17 1 1 A 82 82 ILE H H 295 8.501 7.395 1.106 1 1 777 . 17 1 1 A 82 82 ILE HA H 295 3.675 3.546 0.129 1 1 787 . 17 1 1 A 82 82 ILE C C 295 177.751 177.627 0.124 1 1 788 . 17 1 1 A 82 82 ILE CA C 295 65.288 64.613 0.675 1 1 789 . 17 1 1 A 82 82 ILE CB C 295 38.497 36.904 1.593 1 1 793 . 17 1 1 A 82 82 ILE N N 295 120.434 120.756 -0.322 1 1 794 . 17 1 1 A 83 83 LEU H H 296 8.508 7.816 0.692 1 1 795 . 17 1 1 A 83 83 LEU HA H 296 4.289 3.830 0.459 1 1 805 . 17 1 1 A 83 83 LEU C C 296 178.393 178.282 0.111 1 1 806 . 17 1 1 A 83 83 LEU CA C 296 58.937 57.353 1.584 1 1 807 . 17 1 1 A 83 83 LEU CB C 296 39.626 41.336 -1.710 1 1 811 . 17 1 1 A 83 83 LEU N N 296 116.807 121.170 -4.363 1 1 812 . 17 1 1 A 84 84 LYS H H 297 8.048 7.722 0.326 1 1 813 . 17 1 1 A 84 84 LYS HA H 297 3.967 4.190 -0.223 1 1 820 . 17 1 1 A 84 84 LYS C C 297 177.773 178.331 -0.558 1 1 821 . 17 1 1 A 84 84 LYS CA C 297 58.890 57.902 0.988 1 1 822 . 17 1 1 A 84 84 LYS CB C 297 31.169 33.211 -2.042 1 1 826 . 17 1 1 A 84 84 LYS N N 297 118.687 117.752 0.935 1 1 827 . 17 1 1 A 85 85 ILE H H 298 7.694 7.525 0.169 1 1 828 . 17 1 1 A 85 85 ILE HA H 298 3.456 3.739 -0.283 1 1 838 . 17 1 1 A 85 85 ILE C C 298 179.100 177.868 1.232 1 1 839 . 17 1 1 A 85 85 ILE CA C 298 65.307 65.154 0.153 1 1 840 . 17 1 1 A 85 85 ILE CB C 298 36.965 37.379 -0.414 1 1 844 . 17 1 1 A 85 85 ILE N N 298 118.157 120.781 -2.624 1 1 845 . 17 1 1 A 86 86 TYR H H 299 7.613 7.314 0.299 1 1 846 . 17 1 1 A 86 86 TYR HA H 299 4.103 4.449 -0.346 1 1 851 . 17 1 1 A 86 86 TYR C C 299 177.425 178.140 -0.715 1 1 852 . 17 1 1 A 86 86 TYR CA C 299 63.129 60.566 2.563 1 1 853 . 17 1 1 A 86 86 TYR CB C 299 38.745 37.983 0.762 1 1 856 . 17 1 1 A 86 86 TYR N N 299 115.499 120.211 -4.712 1 1 857 . 17 1 1 A 87 87 GLN H H 300 9.112 8.378 0.734 1 1 858 . 17 1 1 A 87 87 GLN HA H 300 3.977 4.112 -0.135 1 1 861 . 17 1 1 A 87 87 GLN C C 300 176.380 178.402 -2.022 1 1 862 . 17 1 1 A 87 87 GLN CA C 300 58.976 58.281 0.695 1 1 863 . 17 1 1 A 87 87 GLN CB C 300 28.819 28.382 0.437 1 1 865 . 17 1 1 A 87 87 GLN N N 300 125.039 121.182 3.857 1 1 866 . 17 1 1 A 88 88 LEU H H 301 7.536 7.791 -0.255 1 1 867 . 17 1 1 A 88 88 LEU HA H 301 4.309 4.072 0.237 1 1 877 . 17 1 1 A 88 88 LEU C C 301 177.129 180.183 -3.054 1 1 878 . 17 1 1 A 88 88 LEU CA C 301 55.142 57.820 -2.678 1 1 879 . 17 1 1 A 88 88 LEU CB C 301 41.809 41.154 0.655 1 1 883 . 17 1 1 A 88 88 LEU N N 301 115.623 119.216 -3.593 1 1 884 . 17 1 1 A 89 89 MET H H 302 7.025 7.825 -0.800 1 1 885 . 17 1 1 A 89 89 MET HA H 302 4.031 4.196 -0.165 1 1 893 . 17 1 1 A 89 89 MET C C 302 172.664 176.177 -3.513 1 1 894 . 17 1 1 A 89 89 MET CA C 302 55.513 59.246 -3.733 1 1 895 . 17 1 1 A 89 89 MET CB C 302 33.748 32.809 0.939 1 1 898 . 17 1 1 A 89 89 MET N N 302 120.789 119.434 1.355 1 1 899 . 17 1 1 A 90 90 ASP H H 303 8.056 8.119 -0.063 1 1 900 . 17 1 1 A 90 90 ASP HA H 303 4.746 4.200 0.546 1 1 903 . 17 1 1 A 90 90 ASP C C 303 177.139 176.208 0.931 1 1 904 . 17 1 1 A 90 90 ASP CA C 303 54.411 54.837 -0.426 1 1 905 . 17 1 1 A 90 90 ASP CB C 303 40.987 39.241 1.746 1 1 906 . 17 1 1 A 90 90 ASP N N 303 117.873 119.168 -1.295 1 1 907 . 17 1 1 A 91 91 HIS H H 304 9.371 7.780 1.591 1 1 908 . 17 1 1 A 91 91 HIS HA H 304 4.657 4.848 -0.191 1 1 912 . 17 1 1 A 91 91 HIS C C 304 177.332 175.503 1.829 1 1 913 . 17 1 1 A 91 91 HIS CA C 304 56.031 54.666 1.365 1 1 914 . 17 1 1 A 91 91 HIS CB C 304 31.150 29.457 1.693 1 1 916 . 17 1 1 A 91 91 HIS N N 304 126.666 114.686 11.980 1 1 917 . 17 1 1 A 92 92 SER H H 305 8.952 8.726 0.226 1 1 918 . 17 1 1 A 92 92 SER HA H 305 4.055 4.207 -0.152 1 1 921 . 17 1 1 A 92 92 SER CA C 305 63.687 59.458 4.229 1 1 922 . 17 1 1 A 92 92 SER CB C 305 62.694 62.218 0.476 1 1 923 . 17 1 1 A 92 92 SER N N 305 118.610 117.079 1.531 1 1 924 . 17 1 1 A 93 93 ASN H H 306 8.745 8.447 0.298 1 1 925 . 17 1 1 A 93 93 ASN HA H 306 4.803 4.979 -0.176 1 1 928 . 17 1 1 A 93 93 ASN C C 306 173.428 174.925 -1.497 1 1 929 . 17 1 1 A 93 93 ASN CA C 306 53.018 52.372 0.646 1 1 930 . 17 1 1 A 93 93 ASN CB C 306 38.033 39.840 -1.807 1 1 931 . 17 1 1 A 93 93 ASN N N 306 116.257 117.663 -1.406 1 1 932 . 17 1 1 A 94 94 MET H H 307 7.942 7.339 0.603 1 1 933 . 17 1 1 A 94 94 MET HA H 307 4.683 4.900 -0.217 1 1 939 . 17 1 1 A 94 94 MET C C 307 174.640 174.901 -0.261 1 1 940 . 17 1 1 A 94 94 MET CA C 307 53.564 54.594 -1.030 1 1 941 . 17 1 1 A 94 94 MET CB C 307 33.988 36.929 -2.941 1 1 944 . 17 1 1 A 94 94 MET N N 307 117.799 117.180 0.619 1 1 945 . 17 1 1 A 95 95 ASP H H 308 8.276 8.627 -0.351 1 1 946 . 17 1 1 A 95 95 ASP HA H 308 5.172 4.870 0.302 1 1 949 . 17 1 1 A 95 95 ASP C C 308 176.264 176.455 -0.191 1 1 950 . 17 1 1 A 95 95 ASP CA C 308 55.617 54.278 1.339 1 1 951 . 17 1 1 A 95 95 ASP CB C 308 45.114 42.872 2.242 1 1 952 . 17 1 1 A 95 95 ASP N N 308 119.567 118.472 1.095 1 1 953 . 17 1 1 A 96 96 CYS H H 309 8.215 7.500 0.715 1 1 954 . 17 1 1 A 96 96 CYS HA H 309 4.680 4.332 0.348 1 1 957 . 17 1 1 A 96 96 CYS C C 309 170.157 174.227 -4.070 1 1 958 . 17 1 1 A 96 96 CYS CA C 309 57.203 59.462 -2.259 1 1 959 . 17 1 1 A 96 96 CYS CB C 309 52.974 26.833 26.141 1 1 960 . 17 1 1 A 96 96 CYS N N 309 118.264 119.457 -1.193 1 1 961 . 17 1 1 A 97 97 PHE H H 310 8.108 9.043 -0.935 1 1 962 . 17 1 1 A 97 97 PHE HA H 310 5.071 5.443 -0.372 1 1 967 . 17 1 1 A 97 97 PHE C C 310 171.279 173.417 -2.138 1 1 968 . 17 1 1 A 97 97 PHE CA C 310 57.910 57.062 0.848 1 1 969 . 17 1 1 A 97 97 PHE CB C 310 44.724 43.218 1.506 1 1 972 . 17 1 1 A 97 97 PHE N N 310 125.767 126.641 -0.874 1 1 973 . 17 1 1 A 98 98 ILE H H 311 7.647 7.474 0.173 1 1 974 . 17 1 1 A 98 98 ILE HA H 311 4.581 4.447 0.134 1 1 984 . 17 1 1 A 98 98 ILE C C 311 172.012 173.765 -1.753 1 1 985 . 17 1 1 A 98 98 ILE CA C 311 58.312 59.775 -1.463 1 1 986 . 17 1 1 A 98 98 ILE CB C 311 39.964 42.060 -2.096 1 1 990 . 17 1 1 A 98 98 ILE N N 311 125.102 124.276 0.826 1 1 991 . 17 1 1 A 99 99 CYS H H 312 8.309 8.929 -0.620 1 1 992 . 17 1 1 A 99 99 CYS HA H 312 4.471 4.961 -0.490 1 1 993 . 17 1 1 A 99 99 CYS C C 312 171.965 173.113 -1.148 1 1 994 . 17 1 1 A 99 99 CYS CA C 312 56.347 56.944 -0.597 1 1 995 . 17 1 1 A 99 99 CYS CB C 312 51.093 29.454 21.639 1 1 996 . 17 1 1 A 99 99 CYS N N 312 124.548 126.453 -1.905 1 1 997 . 17 1 1 A 100 100 CYS H H 313 9.116 9.374 -0.258 1 1 998 . 17 1 1 A 100 100 CYS HA H 313 5.880 5.051 0.829 1 1 1001 . 17 1 1 A 100 100 CYS C C 313 173.635 173.685 -0.050 1 1 1002 . 17 1 1 A 100 100 CYS CA C 313 55.906 57.523 -1.617 1 1 1003 . 17 1 1 A 100 100 CYS CB C 313 52.685 28.393 24.292 1 1 1004 . 17 1 1 A 100 100 CYS N N 313 127.015 128.454 -1.439 1 1 1005 . 17 1 1 A 101 101 ILE H H 314 8.896 8.276 0.620 1 1 1006 . 17 1 1 A 101 101 ILE HA H 314 4.737 4.903 -0.166 1 1 1016 . 17 1 1 A 101 101 ILE C C 314 172.277 176.674 -4.397 1 1 1017 . 17 1 1 A 101 101 ILE CA C 314 60.937 58.886 2.051 1 1 1018 . 17 1 1 A 101 101 ILE CB C 314 40.848 41.460 -0.612 1 1 1022 . 17 1 1 A 101 101 ILE N N 314 121.994 123.564 -1.570 1 1 1023 . 17 1 1 A 102 102 LEU H H 315 8.951 9.121 -0.170 1 1 1024 . 17 1 1 A 102 102 LEU HA H 315 5.285 4.090 1.195 1 1 1029 . 17 1 1 A 102 102 LEU C C 315 174.789 177.047 -2.258 1 1 1030 . 17 1 1 A 102 102 LEU CA C 315 52.489 58.482 -5.993 1 1 1031 . 17 1 1 A 102 102 LEU CB C 315 40.041 41.694 -1.653 1 1 1034 . 17 1 1 A 102 102 LEU N N 315 127.404 124.731 2.673 1 1 1035 . 17 1 1 A 103 103 SER H H 316 9.096 8.165 0.931 1 1 1036 . 17 1 1 A 103 103 SER HA H 316 4.680 4.181 0.499 1 1 1039 . 17 1 1 A 103 103 SER C C 316 174.555 174.402 0.153 1 1 1040 . 17 1 1 A 103 103 SER CA C 316 56.403 58.869 -2.466 1 1 1041 . 17 1 1 A 103 103 SER CB C 316 63.224 61.789 1.435 1 1 1042 . 17 1 1 A 103 103 SER N N 316 113.273 114.418 -1.145 1 1 1043 . 17 1 1 A 104 104 HIS H H 317 7.515 7.934 -0.419 1 1 1044 . 17 1 1 A 104 104 HIS HA H 317 5.214 4.408 0.806 1 1 1048 . 17 1 1 A 104 104 HIS C C 317 175.667 175.844 -0.177 1 1 1049 . 17 1 1 A 104 104 HIS CA C 317 56.371 58.393 -2.022 1 1 1050 . 17 1 1 A 104 104 HIS CB C 317 34.676 29.355 5.321 1 1 1052 . 17 1 1 A 104 104 HIS N N 317 114.740 117.899 -3.159 1 1 1053 . 17 1 1 A 105 105 GLY H H 318 8.368 7.820 0.548 1 1 1054 . 17 1 1 A 105 105 GLY C C 318 169.470 172.986 -3.516 1 1 1055 . 17 1 1 A 105 105 GLY CA C 318 45.558 44.572 0.986 1 1 1056 . 17 1 1 A 105 105 GLY N N 318 107.330 107.141 0.189 1 1 1057 . 17 1 1 A 106 106 ASP H H 319 7.943 8.502 -0.559 1 1 1058 . 17 1 1 A 106 106 ASP HA H 319 4.622 5.283 -0.661 1 1 1061 . 17 1 1 A 106 106 ASP C C 319 175.179 174.817 0.362 1 1 1062 . 17 1 1 A 106 106 ASP CA C 319 53.188 52.513 0.675 1 1 1063 . 17 1 1 A 106 106 ASP CB C 319 43.555 44.173 -0.618 1 1 1064 . 17 1 1 A 106 106 ASP N N 319 116.893 119.733 -2.840 1 1 1065 . 17 1 1 A 107 107 LYS H H 320 9.376 8.593 0.783 1 1 1066 . 17 1 1 A 107 107 LYS HA H 320 3.956 4.710 -0.754 1 1 1075 . 17 1 1 A 107 107 LYS C C 320 176.864 177.021 -0.157 1 1 1076 . 17 1 1 A 107 107 LYS CA C 320 58.567 55.097 3.470 1 1 1077 . 17 1 1 A 107 107 LYS CB C 320 30.568 33.958 -3.390 1 1 1081 . 17 1 1 A 107 107 LYS N N 320 122.539 118.661 3.878 1 1 1082 . 17 1 1 A 108 108 GLY H H 321 9.025 8.851 0.174 1 1 1083 . 17 1 1 A 108 108 GLY C C 321 173.633 174.613 -0.980 1 1 1084 . 17 1 1 A 108 108 GLY CA C 321 45.491 45.058 0.433 1 1 1085 . 17 1 1 A 108 108 GLY N N 321 111.919 112.416 -0.497 1 1 1086 . 17 1 1 A 109 109 ILE H H 322 8.157 7.699 0.458 1 1 1087 . 17 1 1 A 109 109 ILE HA H 322 4.994 4.245 0.749 1 1 1097 . 17 1 1 A 109 109 ILE C C 322 174.524 175.493 -0.969 1 1 1098 . 17 1 1 A 109 109 ILE CA C 322 59.009 60.485 -1.476 1 1 1099 . 17 1 1 A 109 109 ILE CB C 322 43.375 39.391 3.984 1 1 1103 . 17 1 1 A 109 109 ILE N N 322 116.465 118.134 -1.669 1 1 1104 . 17 1 1 A 110 110 ILE H H 323 8.443 8.554 -0.111 1 1 1105 . 17 1 1 A 110 110 ILE HA H 323 4.530 3.859 0.671 1 1 1115 . 17 1 1 A 110 110 ILE C C 323 174.337 176.303 -1.966 1 1 1116 . 17 1 1 A 110 110 ILE CA C 323 58.547 62.013 -3.466 1 1 1117 . 17 1 1 A 110 110 ILE CB C 323 41.604 37.795 3.809 1 1 1121 . 17 1 1 A 110 110 ILE N N 323 116.661 123.594 -6.933 1 1 1122 . 17 1 1 A 111 111 TYR H H 324 8.584 8.380 0.204 1 1 1123 . 17 1 1 A 111 111 TYR HA H 324 5.557 4.687 0.870 1 1 1128 . 17 1 1 A 111 111 TYR C C 324 178.528 175.202 3.326 1 1 1129 . 17 1 1 A 111 111 TYR CA C 324 56.571 57.794 -1.223 1 1 1130 . 17 1 1 A 111 111 TYR CB C 324 39.984 39.235 0.749 1 1 1133 . 17 1 1 A 111 111 TYR N N 324 119.472 125.592 -6.120 1 1 1134 . 17 1 1 A 112 112 GLY H H 325 8.522 8.840 -0.318 1 1 1135 . 17 1 1 A 112 112 GLY C C 325 174.755 175.006 -0.251 1 1 1136 . 17 1 1 A 112 112 GLY CA C 325 43.145 44.854 -1.709 1 1 1137 . 17 1 1 A 112 112 GLY N N 325 107.078 107.521 -0.443 1 1 1138 . 17 1 1 A 113 113 THR H H 326 8.245 9.546 -1.301 1 1 1139 . 17 1 1 A 113 113 THR HA H 326 3.186 3.898 -0.712 1 1 1144 . 17 1 1 A 113 113 THR C C 326 173.264 175.576 -2.312 1 1 1145 . 17 1 1 A 113 113 THR CA C 326 64.857 65.577 -0.720 1 1 1146 . 17 1 1 A 113 113 THR CB C 326 66.749 68.828 -2.079 1 1 1148 . 17 1 1 A 113 113 THR N N 326 113.146 116.604 -3.458 1 1 1149 . 17 1 1 A 114 114 ASP H H 327 8.801 8.206 0.595 1 1 1150 . 17 1 1 A 114 114 ASP HA H 327 4.099 4.670 -0.571 1 1 1153 . 17 1 1 A 114 114 ASP C C 327 176.262 178.627 -2.365 1 1 1154 . 17 1 1 A 114 114 ASP CA C 327 52.768 55.680 -2.912 1 1 1155 . 17 1 1 A 114 114 ASP CB C 327 39.312 41.593 -2.281 1 1 1156 . 17 1 1 A 114 114 ASP N N 327 112.026 119.312 -7.286 1 1 1157 . 17 1 1 A 115 115 GLY H H 328 8.462 7.957 0.505 1 1 1158 . 17 1 1 A 115 115 GLY HA2 H 328 4.010 3.849 0.161 1 1 1159 . 17 1 1 A 115 115 GLY HA3 H 328 4.010 3.852 0.158 1 1 1160 . 17 1 1 A 115 115 GLY C C 328 171.918 174.753 -2.835 1 1 1161 . 17 1 1 A 115 115 GLY CA C 328 45.463 47.101 -1.638 1 1 1162 . 17 1 1 A 115 115 GLY N N 328 107.749 107.412 0.337 1 1 1163 . 17 1 1 A 116 116 GLN H H 329 6.657 7.795 -1.138 1 1 1164 . 17 1 1 A 116 116 GLN HA H 329 4.441 4.724 -0.283 1 1 1170 . 17 1 1 A 116 116 GLN C C 329 174.196 175.058 -0.862 1 1 1171 . 17 1 1 A 116 116 GLN CA C 329 55.204 54.722 0.482 1 1 1172 . 17 1 1 A 116 116 GLN CB C 329 28.541 32.103 -3.562 1 1 1174 . 17 1 1 A 116 116 GLN N N 329 115.146 112.839 2.307 1 1 1176 . 17 1 1 A 117 117 GLU H H 330 8.624 8.827 -0.203 1 1 1177 . 17 1 1 A 117 117 GLU HA H 330 4.733 4.706 0.027 1 1 1178 . 17 1 1 A 117 117 GLU C C 330 175.357 175.678 -0.321 1 1 1179 . 17 1 1 A 117 117 GLU CA C 330 55.191 55.810 -0.619 1 1 1180 . 17 1 1 A 117 117 GLU CB C 330 32.586 30.323 2.263 1 1 1182 . 17 1 1 A 117 117 GLU N N 330 119.031 118.718 0.313 1 1 1183 . 17 1 1 A 118 118 ALA H H 331 8.995 7.646 1.349 1 1 1184 . 17 1 1 A 118 118 ALA HA H 331 5.165 4.951 0.214 1 1 1188 . 17 1 1 A 118 118 ALA C C 331 173.650 174.385 -0.735 1 1 1189 . 17 1 1 A 118 118 ALA CA C 331 48.343 50.095 -1.752 1 1 1190 . 17 1 1 A 118 118 ALA CB C 331 20.353 22.107 -1.754 1 1 1191 . 17 1 1 A 118 118 ALA N N 331 123.550 122.174 1.376 1 1 1192 . 17 1 1 A 119 119 PRO HA H 332 4.819 4.779 0.040 1 1 1193 . 17 1 1 A 119 119 PRO C C 332 177.819 177.844 -0.025 1 1 1194 . 17 1 1 A 119 119 PRO CA C 332 62.007 62.720 -0.713 1 1 1195 . 17 1 1 A 119 119 PRO CB C 332 32.081 31.561 0.520 1 1 1197 . 17 1 1 A 120 120 ILE H H 333 8.574 8.931 -0.357 1 1 1198 . 17 1 1 A 120 120 ILE HA H 333 3.278 3.905 -0.627 1 1 1206 . 17 1 1 A 120 120 ILE C C 333 177.316 177.317 -0.001 1 1 1207 . 17 1 1 A 120 120 ILE CA C 333 66.025 64.164 1.861 1 1 1208 . 17 1 1 A 120 120 ILE CB C 333 37.991 37.771 0.220 1 1 1212 . 17 1 1 A 120 120 ILE N N 333 126.740 126.032 0.708 1 1 1213 . 17 1 1 A 121 121 TYR H H 334 9.192 8.030 1.162 1 1 1214 . 17 1 1 A 121 121 TYR HA H 334 3.942 4.282 -0.340 1 1 1219 . 17 1 1 A 121 121 TYR C C 334 177.847 178.082 -0.235 1 1 1220 . 17 1 1 A 121 121 TYR CA C 334 60.688 60.997 -0.309 1 1 1221 . 17 1 1 A 121 121 TYR CB C 334 38.803 37.822 0.981 1 1 1224 . 17 1 1 A 121 121 TYR N N 334 117.479 120.941 -3.462 1 1 1225 . 17 1 1 A 122 122 GLU H H 335 7.178 8.510 -1.332 1 1 1226 . 17 1 1 A 122 122 GLU HA H 335 3.751 4.157 -0.406 1 1 1228 . 17 1 1 A 122 122 GLU C C 335 176.427 179.036 -2.609 1 1 1229 . 17 1 1 A 122 122 GLU CA C 335 58.378 58.688 -0.310 1 1 1230 . 17 1 1 A 122 122 GLU CB C 335 29.477 29.786 -0.309 1 1 1232 . 17 1 1 A 122 122 GLU N N 335 115.885 121.905 -6.020 1 1 1233 . 17 1 1 A 123 123 LEU H H 336 7.440 8.009 -0.569 1 1 1234 . 17 1 1 A 123 123 LEU HA H 336 4.123 4.004 0.119 1 1 1244 . 17 1 1 A 123 123 LEU C C 336 177.925 178.023 -0.098 1 1 1245 . 17 1 1 A 123 123 LEU CA C 336 56.646 57.875 -1.229 1 1 1246 . 17 1 1 A 123 123 LEU CB C 336 40.661 42.023 -1.362 1 1 1250 . 17 1 1 A 123 123 LEU N N 336 115.934 119.873 -3.939 1 1 1251 . 17 1 1 A 124 124 THR H H 337 8.009 8.001 0.008 1 1 1252 . 17 1 1 A 124 124 THR HA H 337 3.597 4.193 -0.596 1 1 1257 . 17 1 1 A 124 124 THR C C 337 177.568 175.376 2.192 1 1 1258 . 17 1 1 A 124 124 THR CA C 337 64.110 62.389 1.721 1 1 1259 . 17 1 1 A 124 124 THR CB C 337 67.603 68.959 -1.356 1 1 1261 . 17 1 1 A 124 124 THR N N 337 107.827 109.930 -2.103 1 1 1262 . 17 1 1 A 125 125 SER H H 338 7.435 7.861 -0.426 1 1 1263 . 17 1 1 A 125 125 SER HA H 338 3.723 4.660 -0.937 1 1 1266 . 17 1 1 A 125 125 SER C C 338 174.040 176.765 -2.725 1 1 1267 . 17 1 1 A 125 125 SER CA C 338 60.514 60.787 -0.273 1 1 1268 . 17 1 1 A 125 125 SER CB C 338 62.391 63.654 -1.263 1 1 1269 . 17 1 1 A 125 125 SER N N 338 112.670 117.790 -5.120 1 1 1270 . 17 1 1 A 126 126 GLN H H 339 7.071 8.265 -1.194 1 1 1271 . 17 1 1 A 126 126 GLN HA H 339 3.850 4.233 -0.383 1 1 1276 . 17 1 1 A 126 126 GLN C C 339 173.915 177.187 -3.272 1 1 1277 . 17 1 1 A 126 126 GLN CA C 339 56.106 57.764 -1.658 1 1 1278 . 17 1 1 A 126 126 GLN CB C 339 27.028 27.464 -0.436 1 1 1280 . 17 1 1 A 126 126 GLN N N 339 117.347 118.470 -1.123 1 1 1281 . 17 1 1 A 127 127 PHE H H 340 7.355 8.098 -0.743 1 1 1282 . 17 1 1 A 127 127 PHE HA H 340 4.515 4.443 0.072 1 1 1285 . 17 1 1 A 127 127 PHE C C 340 175.241 176.028 -0.787 1 1 1286 . 17 1 1 A 127 127 PHE CA C 340 57.914 58.355 -0.441 1 1 1287 . 17 1 1 A 127 127 PHE CB C 340 38.496 37.571 0.925 1 1 1288 . 17 1 1 A 127 127 PHE N N 340 110.412 116.063 -5.651 1 1 1289 . 17 1 1 A 128 128 THR H H 341 6.785 7.308 -0.523 1 1 1290 . 17 1 1 A 128 128 THR HA H 341 4.294 3.622 0.672 1 1 1295 . 17 1 1 A 128 128 THR C C 341 174.727 176.365 -1.638 1 1 1296 . 17 1 1 A 128 128 THR CA C 341 62.016 63.511 -1.495 1 1 1297 . 17 1 1 A 128 128 THR CB C 341 69.757 69.189 0.568 1 1 1299 . 17 1 1 A 128 128 THR N N 341 107.455 115.737 -8.282 1 1 1300 . 17 1 1 A 129 129 GLY H H 342 10.506 8.589 1.917 1 1 1301 . 17 1 1 A 129 129 GLY HA2 H 342 3.841 3.702 0.139 1 1 1302 . 17 1 1 A 129 129 GLY HA3 H 342 3.648 3.705 -0.057 1 1 1303 . 17 1 1 A 129 129 GLY C C 342 175.631 174.635 0.996 1 1 1304 . 17 1 1 A 129 129 GLY CA C 342 47.056 46.579 0.477 1 1 1305 . 17 1 1 A 129 129 GLY N N 342 111.023 113.786 -2.763 1 1 1306 . 17 1 1 A 130 130 LEU H H 343 8.003 7.780 0.223 1 1 1307 . 17 1 1 A 130 130 LEU HA H 343 4.135 4.321 -0.186 1 1 1317 . 17 1 1 A 130 130 LEU C C 343 178.627 177.097 1.530 1 1 1318 . 17 1 1 A 130 130 LEU CA C 343 56.606 55.016 1.590 1 1 1319 . 17 1 1 A 130 130 LEU CB C 343 42.399 41.955 0.444 1 1 1323 . 17 1 1 A 130 130 LEU N N 343 116.983 120.064 -3.081 1 1 1324 . 17 1 1 A 131 131 LYS H H 344 6.961 7.982 -1.021 1 1 1325 . 17 1 1 A 131 131 LYS HA H 344 4.001 4.429 -0.428 1 1 1333 . 17 1 1 A 131 131 LYS C C 344 176.224 176.416 -0.192 1 1 1334 . 17 1 1 A 131 131 LYS CA C 344 57.534 56.627 0.907 1 1 1335 . 17 1 1 A 131 131 LYS CB C 344 33.404 35.484 -2.080 1 1 1339 . 17 1 1 A 131 131 LYS N N 344 116.907 116.418 0.489 1 1 1340 . 17 1 1 A 132 132 CYS H H 345 8.564 8.073 0.491 1 1 1341 . 17 1 1 A 132 132 CYS HA H 345 4.930 4.738 0.192 1 1 1344 . 17 1 1 A 132 132 CYS C C 345 172.261 173.212 -0.951 1 1 1345 . 17 1 1 A 132 132 CYS CA C 345 56.566 56.678 -0.112 1 1 1346 . 17 1 1 A 132 132 CYS CB C 345 49.011 29.693 19.318 1 1 1347 . 17 1 1 A 132 132 CYS N N 345 117.718 115.936 1.782 1 1 1348 . 17 1 1 A 133 133 PRO HA H 346 4.719 4.300 0.419 1 1 1354 . 17 1 1 A 133 133 PRO C C 346 179.500 177.914 1.586 1 1 1355 . 17 1 1 A 133 133 PRO CA C 346 62.681 65.872 -3.191 1 1 1356 . 17 1 1 A 133 133 PRO CB C 346 34.366 31.399 2.967 1 1 1359 . 17 1 1 A 134 134 SER H H 347 8.896 8.120 0.776 1 1 1360 . 17 1 1 A 134 134 SER HA H 347 4.415 4.129 0.286 1 1 1363 . 17 1 1 A 134 134 SER C C 347 174.434 173.502 0.932 1 1 1364 . 17 1 1 A 134 134 SER CA C 347 60.509 58.858 1.651 1 1 1365 . 17 1 1 A 134 134 SER CB C 347 62.207 60.951 1.256 1 1 1366 . 17 1 1 A 134 134 SER N N 347 112.882 111.667 1.215 1 1 1367 . 17 1 1 A 135 135 LEU H H 348 7.549 8.178 -0.629 1 1 1368 . 17 1 1 A 135 135 LEU HA H 348 4.466 3.869 0.597 1 1 1378 . 17 1 1 A 135 135 LEU C C 348 176.458 177.079 -0.621 1 1 1379 . 17 1 1 A 135 135 LEU CA C 348 53.787 56.095 -2.308 1 1 1380 . 17 1 1 A 135 135 LEU CB C 348 44.189 39.243 4.946 1 1 1384 . 17 1 1 A 135 135 LEU N N 348 118.501 114.103 4.398 1 1 1385 . 17 1 1 A 136 136 ALA H H 349 7.776 8.075 -0.299 1 1 1386 . 17 1 1 A 136 136 ALA HA H 349 4.056 4.056 0.000 1 1 1390 . 17 1 1 A 136 136 ALA C C 349 178.620 179.420 -0.800 1 1 1391 . 17 1 1 A 136 136 ALA CA C 349 54.406 55.264 -0.858 1 1 1392 . 17 1 1 A 136 136 ALA CB C 349 17.934 18.067 -0.133 1 1 1393 . 17 1 1 A 136 136 ALA N N 349 125.801 121.380 4.421 1 1 1394 . 17 1 1 A 137 137 GLY H H 350 9.371 8.303 1.068 1 1 1395 . 17 1 1 A 137 137 GLY C C 350 173.026 174.204 -1.178 1 1 1396 . 17 1 1 A 137 137 GLY CA C 350 45.132 45.296 -0.164 1 1 1397 . 17 1 1 A 137 137 GLY N N 350 111.181 105.923 5.258 1 1 1398 . 17 1 1 A 138 138 LYS H H 351 8.038 7.630 0.408 1 1 1399 . 17 1 1 A 138 138 LYS HA H 351 4.660 4.581 0.079 1 1 1400 . 17 1 1 A 138 138 LYS C C 351 172.078 174.682 -2.604 1 1 1401 . 17 1 1 A 138 138 LYS CA C 351 52.728 53.847 -1.119 1 1 1402 . 17 1 1 A 138 138 LYS CB C 351 32.069 31.551 0.518 1 1 1404 . 17 1 1 A 138 138 LYS N N 351 119.821 120.238 -0.417 1 1 1405 . 17 1 1 A 139 139 PRO HA H 352 4.300 5.170 -0.870 1 1 1412 . 17 1 1 A 139 139 PRO C C 352 173.954 176.821 -2.867 1 1 1413 . 17 1 1 A 139 139 PRO CA C 352 62.595 62.581 0.014 1 1 1414 . 17 1 1 A 139 139 PRO CB C 352 31.399 32.019 -0.620 1 1 1417 . 17 1 1 A 140 140 LYS H H 353 8.188 8.489 -0.301 1 1 1418 . 17 1 1 A 140 140 LYS HA H 353 4.610 5.518 -0.908 1 1 1419 . 17 1 1 A 140 140 LYS C C 353 173.494 175.446 -1.952 1 1 1420 . 17 1 1 A 140 140 LYS CA C 353 55.344 54.310 1.034 1 1 1421 . 17 1 1 A 140 140 LYS CB C 353 32.527 36.759 -4.232 1 1 1423 . 17 1 1 A 140 140 LYS N N 353 123.304 118.378 4.926 1 1 1424 . 17 1 1 A 141 141 VAL H H 354 8.344 8.774 -0.430 1 1 1425 . 17 1 1 A 141 141 VAL HA H 354 4.533 4.598 -0.065 1 1 1433 . 17 1 1 A 141 141 VAL C C 354 172.277 173.911 -1.634 1 1 1434 . 17 1 1 A 141 141 VAL CA C 354 60.596 60.114 0.482 1 1 1435 . 17 1 1 A 141 141 VAL CB C 354 33.580 35.788 -2.208 1 1 1438 . 17 1 1 A 141 141 VAL N N 354 122.550 119.846 2.704 1 1 1439 . 17 1 1 A 142 142 PHE H H 355 8.985 8.056 0.929 1 1 1440 . 17 1 1 A 142 142 PHE HA H 355 5.436 5.339 0.097 1 1 1441 . 17 1 1 A 142 142 PHE C C 355 173.666 172.978 0.688 1 1 1442 . 17 1 1 A 142 142 PHE CA C 355 54.968 55.443 -0.475 1 1 1443 . 17 1 1 A 142 142 PHE CB C 355 42.877 40.529 2.348 1 1 1444 . 17 1 1 A 142 142 PHE N N 355 123.850 121.336 2.514 1 1 1445 . 17 1 1 A 143 143 PHE H H 356 8.584 8.652 -0.068 1 1 1446 . 17 1 1 A 143 143 PHE HA H 356 5.934 4.826 1.108 1 1 1449 . 17 1 1 A 143 143 PHE C C 356 174.526 175.346 -0.820 1 1 1450 . 17 1 1 A 143 143 PHE CA C 356 55.909 57.477 -1.568 1 1 1451 . 17 1 1 A 143 143 PHE CB C 356 39.923 39.239 0.684 1 1 1454 . 17 1 1 A 143 143 PHE N N 356 119.801 123.942 -4.141 1 1 1455 . 17 1 1 A 144 144 ILE H H 357 9.020 8.771 0.249 1 1 1456 . 17 1 1 A 144 144 ILE HA H 357 5.040 4.309 0.731 1 1 1466 . 17 1 1 A 144 144 ILE C C 357 173.323 176.304 -2.981 1 1 1467 . 17 1 1 A 144 144 ILE CA C 357 59.479 61.372 -1.893 1 1 1468 . 17 1 1 A 144 144 ILE CB C 357 40.898 39.703 1.195 1 1 1472 . 17 1 1 A 144 144 ILE N N 357 121.194 124.852 -3.658 1 1 1473 . 17 1 1 A 145 145 GLN H H 358 8.856 7.678 1.178 1 1 1474 . 17 1 1 A 145 145 GLN HA H 358 4.670 4.026 0.644 1 1 1475 . 17 1 1 A 145 145 GLN C C 358 171.591 175.205 -3.614 1 1 1476 . 17 1 1 A 145 145 GLN CA C 358 53.648 56.704 -3.056 1 1 1477 . 17 1 1 A 145 145 GLN CB C 358 30.373 26.363 4.010 1 1 1479 . 17 1 1 A 145 145 GLN N N 358 128.880 120.710 8.170 1 1 1480 . 17 1 1 A 146 146 ALA H H 359 8.418 7.684 0.734 1 1 1481 . 17 1 1 A 146 146 ALA HA H 359 5.247 4.149 1.098 1 1 1485 . 17 1 1 A 146 146 ALA C C 359 175.319 177.005 -1.686 1 1 1486 . 17 1 1 A 146 146 ALA CA C 359 50.243 52.525 -2.282 1 1 1487 . 17 1 1 A 146 146 ALA CB C 359 18.786 19.142 -0.356 1 1 1488 . 17 1 1 A 146 146 ALA N N 359 128.349 123.230 5.119 1 1 1489 . 17 1 1 A 147 147 ALA H H 360 8.161 8.640 -0.479 1 1 1490 . 17 1 1 A 147 147 ALA HA H 360 4.343 4.769 -0.426 1 1 1494 . 17 1 1 A 147 147 ALA C C 360 177.238 175.103 2.135 1 1 1495 . 17 1 1 A 147 147 ALA CA C 360 52.078 51.248 0.830 1 1 1496 . 17 1 1 A 147 147 ALA CB C 360 20.003 23.805 -3.802 1 1 1497 . 17 1 1 A 147 147 ALA N N 360 123.005 125.711 -2.706 1 1 1498 . 17 1 1 A 148 148 GLN H H 361 8.461 8.635 -0.174 1 1 1499 . 17 1 1 A 148 148 GLN HA H 361 4.663 5.172 -0.509 1 1 1504 . 17 1 1 A 148 148 GLN C C 361 176.333 174.575 1.758 1 1 1505 . 17 1 1 A 148 148 GLN CA C 361 55.760 54.381 1.379 1 1 1506 . 17 1 1 A 148 148 GLN CB C 361 29.937 32.640 -2.703 1 1 1508 . 17 1 1 A 148 148 GLN N N 361 120.296 118.481 1.815 1 1 1509 . 17 1 1 A 149 149 GLY H H 362 8.631 8.738 -0.107 1 1 1510 . 17 1 1 A 149 149 GLY HA2 H 362 3.858 4.245 -0.387 1 1 1511 . 17 1 1 A 149 149 GLY HA3 H 362 3.858 4.245 -0.387 1 1 1512 . 17 1 1 A 149 149 GLY C C 362 172.022 172.649 -0.627 1 1 1513 . 17 1 1 A 149 149 GLY CA C 362 44.969 45.800 -0.831 1 1 1514 . 17 1 1 A 149 149 GLY N N 362 109.782 112.204 -2.422 1 1 1515 . 17 1 1 A 150 150 ASP H H 363 7.566 7.831 -0.265 1 1 1516 . 17 1 1 A 150 150 ASP HA H 363 4.661 5.285 -0.624 1 1 1519 . 17 1 1 A 150 150 ASP C C 363 174.446 175.449 -1.003 1 1 1520 . 17 1 1 A 150 150 ASP CA C 363 57.776 52.340 5.436 1 1 1521 . 17 1 1 A 150 150 ASP CB C 363 39.423 45.836 -6.413 1 1 1522 . 17 1 1 A 150 150 ASP N N 363 118.182 118.941 -0.759 1 1 1523 . 17 1 1 A 153 153 GLN HA H 366 4.665 4.543 0.122 1 1 1530 . 17 1 1 A 153 153 GLN CA C 366 53.779 55.840 -2.061 1 1 1531 . 17 1 1 A 153 153 GLN CB C 366 28.988 31.604 -2.616 1 1 1534 . 17 1 1 A 155 155 GLY HA2 H 368 3.899 4.159 -0.260 1 1 1535 . 17 1 1 A 155 155 GLY HA3 H 368 3.899 4.162 -0.263 1 1 1536 . 17 1 1 A 155 155 GLY CA C 368 45.013 44.806 0.207 1 1 1537 . 17 1 1 A 156 156 ILE H H 369 7.871 8.387 -0.516 1 1 1538 . 17 1 1 A 156 156 ILE HA H 369 4.428 4.882 -0.454 1 1 1548 . 17 1 1 A 156 156 ILE C C 369 174.196 175.411 -1.215 1 1 1549 . 17 1 1 A 156 156 ILE CA C 369 58.676 57.272 1.404 1 1 1550 . 17 1 1 A 156 156 ILE CB C 369 38.516 40.082 -1.566 1 1 1554 . 17 1 1 A 156 156 ILE N N 369 120.958 120.469 0.489 1 1 1555 . 17 1 1 A 157 157 PRO HA H 370 4.386 4.542 -0.156 1 1 1562 . 17 1 1 A 157 157 PRO C C 370 176.218 176.558 -0.340 1 1 1563 . 17 1 1 A 157 157 PRO CA C 370 63.431 64.357 -0.926 1 1 1564 . 17 1 1 A 157 157 PRO CB C 370 31.913 32.081 -0.168 1 1 1567 . 17 1 1 A 158 158 VAL H H 371 8.137 7.455 0.682 1 1 1568 . 17 1 1 A 158 158 VAL HA H 371 4.089 3.587 0.502 1 1 1576 . 17 1 1 A 158 158 VAL C C 371 175.904 175.198 0.706 1 1 1577 . 17 1 1 A 158 158 VAL CA C 371 62.121 60.791 1.330 1 1 1578 . 17 1 1 A 158 158 VAL CB C 371 32.958 32.576 0.382 1 1 1581 . 17 1 1 A 158 158 VAL N N 371 119.640 115.059 4.581 1 1 1582 . 17 1 1 A 159 159 GLU H H 372 8.523 8.640 -0.117 1 1 1583 . 17 1 1 A 159 159 GLU HA H 372 4.345 4.688 -0.343 1 1 1588 . 17 1 1 A 159 159 GLU C C 372 176.068 175.449 0.619 1 1 1589 . 17 1 1 A 159 159 GLU CA C 372 56.474 55.019 1.455 1 1 1590 . 17 1 1 A 159 159 GLU CB C 372 30.078 33.306 -3.228 1 1 1592 . 17 1 1 A 159 159 GLU N N 372 123.765 122.147 1.618 1 1 1593 . 17 1 1 A 160 160 THR H H 373 8.096 8.493 -0.397 1 1 1594 . 17 1 1 A 160 160 THR HA H 373 4.311 4.729 -0.418 1 1 1599 . 17 1 1 A 160 160 THR C C 373 173.701 175.634 -1.933 1 1 1600 . 17 1 1 A 160 160 THR CA C 373 61.845 61.682 0.163 1 1 1601 . 17 1 1 A 160 160 THR CB C 373 69.760 69.315 0.445 1 1 1603 . 17 1 1 A 160 160 THR N N 373 114.143 116.956 -2.813 1 1 1604 . 17 1 1 A 161 161 ASP H H 374 8.387 8.259 0.128 1 1 1605 . 17 1 1 A 161 161 ASP HA H 374 4.625 4.470 0.155 1 1 1608 . 17 1 1 A 161 161 ASP C C 374 175.806 176.878 -1.072 1 1 1609 . 17 1 1 A 161 161 ASP CA C 374 54.478 56.225 -1.747 1 1 1610 . 17 1 1 A 161 161 ASP CB C 374 41.096 41.105 -0.009 1 1 1611 . 17 1 1 A 161 161 ASP N N 374 122.070 123.088 -1.018 1 1 1612 . 17 1 1 A 162 162 SER H H 375 8.175 7.993 0.182 1 1 1613 . 17 1 1 A 162 162 SER HA H 375 4.385 4.615 -0.230 1 1 1616 . 17 1 1 A 162 162 SER C C 375 174.169 172.751 1.418 1 1 1617 . 17 1 1 A 162 162 SER CA C 375 58.631 57.634 0.997 1 1 1618 . 17 1 1 A 162 162 SER CB C 375 63.814 61.582 2.232 1 1 1619 . 17 1 1 A 162 162 SER N N 375 115.346 113.543 1.803 1 1 1620 . 17 1 1 A 163 163 GLU H H 376 8.424 7.886 0.538 1 1 1621 . 17 1 1 A 163 163 GLU HA H 376 4.263 5.090 -0.827 1 1 1626 . 17 1 1 A 163 163 GLU C C 376 175.959 174.840 1.119 1 1 1627 . 17 1 1 A 163 163 GLU CA C 376 56.567 54.740 1.827 1 1 1628 . 17 1 1 A 163 163 GLU CB C 376 30.044 32.636 -2.592 1 1 1630 . 17 1 1 A 163 163 GLU N N 376 122.034 120.737 1.297 1 1 1631 . 17 1 1 A 164 164 GLU H H 377 8.298 8.760 -0.462 1 1 1632 . 17 1 1 A 164 164 GLU HA H 377 4.224 4.464 -0.240 1 1 1637 . 17 1 1 A 164 164 GLU C C 377 175.816 177.664 -1.848 1 1 1638 . 17 1 1 A 164 164 GLU CA C 377 56.489 55.422 1.067 1 1 1639 . 17 1 1 A 164 164 GLU CB C 377 30.220 31.490 -1.270 1 1 1641 . 17 1 1 A 164 164 GLU N N 377 120.980 124.721 -3.741 1 1 1642 . 17 1 1 A 165 165 GLN H H 378 8.340 8.645 -0.305 1 1 1643 . 17 1 1 A 165 165 GLN HA H 378 4.563 4.040 0.523 1 1 1645 . 17 1 1 A 165 165 GLN C C 378 173.510 176.791 -3.281 1 1 1646 . 17 1 1 A 165 165 GLN CA C 378 53.530 60.886 -7.356 1 1 1647 . 17 1 1 A 165 165 GLN CB C 378 28.816 28.032 0.784 1 1 1649 . 17 1 1 A 165 165 GLN N N 378 121.693 122.855 -1.162 1 1 1650 . 17 1 1 A 166 166 PRO HA H 379 4.381 4.774 -0.393 1 1 1657 . 17 1 1 A 166 166 PRO C C 379 176.081 176.201 -0.120 1 1 1658 . 17 1 1 A 166 166 PRO CA C 379 63.260 62.455 0.805 1 1 1659 . 17 1 1 A 166 166 PRO CB C 379 32.010 29.396 2.614 1 1 1662 . 17 1 1 A 167 167 TYR H H 380 8.116 8.553 -0.437 1 1 1663 . 17 1 1 A 167 167 TYR HA H 380 4.513 4.676 -0.163 1 1 1668 . 17 1 1 A 167 167 TYR C C 380 174.992 175.072 -0.080 1 1 1669 . 17 1 1 A 167 167 TYR CA C 380 57.699 57.594 0.105 1 1 1670 . 17 1 1 A 167 167 TYR CB C 380 38.344 39.833 -1.489 1 1 1673 . 17 1 1 A 167 167 TYR N N 380 119.531 119.498 0.033 1 1 1674 . 17 1 1 A 168 168 LEU H H 381 7.953 8.280 -0.327 1 1 1675 . 17 1 1 A 168 168 LEU HA H 381 4.267 4.826 -0.559 1 1 1685 . 17 1 1 A 168 168 LEU C C 381 176.162 176.185 -0.023 1 1 1686 . 17 1 1 A 168 168 LEU CA C 381 54.808 53.397 1.411 1 1 1687 . 17 1 1 A 168 168 LEU CB C 381 42.735 45.005 -2.270 1 1 1691 . 17 1 1 A 168 168 LEU N N 381 124.133 119.821 4.312 1 1 1692 . 17 1 1 A 169 169 GLU H H 382 8.190 8.270 -0.080 1 1 1693 . 17 1 1 A 169 169 GLU HA H 382 4.167 4.303 -0.136 1 1 1698 . 17 1 1 A 169 169 GLU C C 382 175.881 175.683 0.198 1 1 1699 . 17 1 1 A 169 169 GLU CA C 382 56.655 55.732 0.923 1 1 1700 . 17 1 1 A 169 169 GLU CB C 382 30.058 31.210 -1.152 1 1 1702 . 17 1 1 A 169 169 GLU N N 382 121.131 121.047 0.084 1 1 1703 . 17 1 1 A 170 170 MET H H 383 8.214 8.695 -0.481 1 1 1704 . 17 1 1 A 170 170 MET HA H 383 4.377 5.259 -0.882 1 1 1709 . 17 1 1 A 170 170 MET C C 383 175.132 174.564 0.568 1 1 1710 . 17 1 1 A 170 170 MET CA C 383 55.606 54.149 1.457 1 1 1711 . 17 1 1 A 170 170 MET CB C 383 33.091 35.206 -2.115 1 1 1713 . 17 1 1 A 170 170 MET N N 383 120.601 119.546 1.055 1 1 1714 . 17 1 1 A 171 171 ASP H H 384 8.358 9.001 -0.643 1 1 1715 . 17 1 1 A 171 171 ASP HA H 384 4.575 5.262 -0.687 1 1 1718 . 17 1 1 A 171 171 ASP C C 384 175.966 175.115 0.851 1 1 1719 . 17 1 1 A 171 171 ASP CA C 384 53.741 52.086 1.655 1 1 1720 . 17 1 1 A 171 171 ASP CB C 384 40.571 44.286 -3.715 1 1 1721 . 17 1 1 A 171 171 ASP N N 384 121.104 122.014 -0.910 1 1 1722 . 17 1 1 A 172 172 LEU H H 385 8.285 8.428 -0.143 1 1 1723 . 17 1 1 A 172 172 LEU HA H 385 4.305 4.250 0.055 1 1 1733 . 17 1 1 A 172 172 LEU C C 385 177.140 176.268 0.872 1 1 1734 . 17 1 1 A 172 172 LEU CA C 385 55.122 54.301 0.821 1 1 1735 . 17 1 1 A 172 172 LEU CB C 385 41.851 43.062 -1.211 1 1 1739 . 17 1 1 A 172 172 LEU N N 385 123.115 119.079 4.036 1 1 1740 . 17 1 1 A 173 173 SER H H 386 8.290 8.608 -0.318 1 1 1741 . 17 1 1 A 173 173 SER N N 386 115.101 116.300 -1.199 1 1 1742 . 17 1 1 A 176 176 GLN HA H 389 4.383 4.432 -0.049 1 1 1749 . 17 1 1 A 176 176 GLN CA C 389 55.991 55.508 0.483 1 1 1750 . 17 1 1 A 176 176 GLN CB C 389 29.280 29.798 -0.518 1 1 1753 . 17 1 1 A 177 177 THR H H 390 6.958 7.592 -0.634 1 1 1754 . 17 1 1 A 177 177 THR HA H 390 3.970 4.979 -1.009 1 1 1759 . 17 1 1 A 177 177 THR C C 390 172.764 172.964 -0.200 1 1 1760 . 17 1 1 A 177 177 THR CA C 390 62.221 59.523 2.698 1 1 1761 . 17 1 1 A 177 177 THR CB C 390 69.382 72.105 -2.723 1 1 1763 . 17 1 1 A 177 177 THR N N 390 115.463 109.204 6.259 1 1 1764 . 17 1 1 A 178 178 ARG H H 391 7.873 8.732 -0.859 1 1 1765 . 17 1 1 A 178 178 ARG C C 391 174.982 174.067 0.915 1 1 1766 . 17 1 1 A 178 178 ARG CA C 391 55.266 53.625 1.641 1 1 1767 . 17 1 1 A 178 178 ARG CB C 391 31.052 34.381 -3.329 1 1 1769 . 17 1 1 A 178 178 ARG N N 391 122.116 119.674 2.442 1 1 1770 . 17 1 1 A 179 179 TYR H H 392 8.812 8.649 0.163 1 1 1771 . 17 1 1 A 179 179 TYR HA H 392 4.621 5.093 -0.472 1 1 1776 . 17 1 1 A 179 179 TYR C C 392 174.337 174.306 0.031 1 1 1777 . 17 1 1 A 179 179 TYR CA C 392 57.444 56.530 0.914 1 1 1778 . 17 1 1 A 179 179 TYR CB C 392 40.623 38.632 1.991 1 1 1781 . 17 1 1 A 179 179 TYR N N 392 118.296 118.156 0.140 1 1 1782 . 17 1 1 A 180 180 ILE H H 393 7.254 8.728 -1.474 1 1 1783 . 17 1 1 A 180 180 ILE HA H 393 4.610 4.851 -0.241 1 1 1793 . 17 1 1 A 180 180 ILE C C 393 171.654 174.997 -3.343 1 1 1794 . 17 1 1 A 180 180 ILE CA C 393 56.916 58.339 -1.423 1 1 1795 . 17 1 1 A 180 180 ILE CB C 393 39.736 39.410 0.326 1 1 1799 . 17 1 1 A 180 180 ILE N N 393 108.609 124.778 -16.169 1 1 1800 . 17 1 1 A 181 181 PRO HA H 394 4.709 4.457 0.252 1 1 1807 . 17 1 1 A 181 181 PRO C C 394 173.910 177.125 -3.215 1 1 1808 . 17 1 1 A 181 181 PRO CA C 394 62.144 63.870 -1.726 1 1 1809 . 17 1 1 A 181 181 PRO CB C 394 32.527 31.957 0.570 1 1 1812 . 17 1 1 A 182 182 ASP H H 395 8.296 8.149 0.147 1 1 1813 . 17 1 1 A 182 182 ASP HA H 395 4.665 4.293 0.372 1 1 1816 . 17 1 1 A 182 182 ASP C C 395 175.120 174.873 0.247 1 1 1817 . 17 1 1 A 182 182 ASP CA C 395 52.455 55.397 -2.942 1 1 1818 . 17 1 1 A 182 182 ASP CB C 395 38.742 39.601 -0.859 1 1 1819 . 17 1 1 A 182 182 ASP N N 395 120.042 119.443 0.599 1 1 1820 . 17 1 1 A 183 183 GLU H H 396 7.651 7.988 -0.337 1 1 1821 . 17 1 1 A 183 183 GLU HA H 396 4.492 4.588 -0.096 1 1 1826 . 17 1 1 A 183 183 GLU C C 396 173.702 175.285 -1.583 1 1 1827 . 17 1 1 A 183 183 GLU CA C 396 54.897 55.328 -0.431 1 1 1828 . 17 1 1 A 183 183 GLU CB C 396 32.509 31.483 1.026 1 1 1830 . 17 1 1 A 183 183 GLU N N 396 117.840 118.664 -0.824 1 1 1831 . 17 1 1 A 184 184 ALA H H 397 8.365 8.525 -0.160 1 1 1832 . 17 1 1 A 184 184 ALA HA H 397 4.394 5.086 -0.692 1 1 1836 . 17 1 1 A 184 184 ALA C C 397 175.829 175.802 0.027 1 1 1837 . 17 1 1 A 184 184 ALA CA C 397 52.770 50.638 2.132 1 1 1838 . 17 1 1 A 184 184 ALA CB C 397 20.682 22.857 -2.175 1 1 1839 . 17 1 1 A 184 184 ALA N N 397 121.613 121.187 0.426 1 1 1840 . 17 1 1 A 185 185 ASP H H 398 7.245 8.665 -1.420 1 1 1841 . 17 1 1 A 185 185 ASP HA H 398 4.092 4.251 -0.159 1 1 1844 . 17 1 1 A 185 185 ASP C C 398 172.730 175.124 -2.394 1 1 1845 . 17 1 1 A 185 185 ASP CA C 398 56.144 55.263 0.881 1 1 1846 . 17 1 1 A 185 185 ASP CB C 398 39.841 39.547 0.294 1 1 1847 . 17 1 1 A 185 185 ASP N N 398 105.829 116.166 -10.337 1 1 1848 . 17 1 1 A 186 186 PHE H H 399 8.467 7.489 0.978 1 1 1849 . 17 1 1 A 186 186 PHE HA H 399 5.486 5.074 0.412 1 1 1852 . 17 1 1 A 186 186 PHE C C 399 176.218 172.422 3.796 1 1 1853 . 17 1 1 A 186 186 PHE CA C 399 57.959 56.442 1.517 1 1 1854 . 17 1 1 A 186 186 PHE CB C 399 44.529 40.870 3.659 1 1 1855 . 17 1 1 A 186 186 PHE N N 399 116.177 113.516 2.661 1 1 1856 . 17 1 1 A 187 187 LEU H H 400 8.964 9.033 -0.069 1 1 1857 . 17 1 1 A 187 187 LEU HA H 400 4.963 4.875 0.088 1 1 1867 . 17 1 1 A 187 187 LEU C C 400 171.747 174.172 -2.425 1 1 1868 . 17 1 1 A 187 187 LEU CA C 400 55.422 53.170 2.252 1 1 1869 . 17 1 1 A 187 187 LEU CB C 400 45.641 45.586 0.055 1 1 1873 . 17 1 1 A 187 187 LEU N N 400 121.383 122.411 -1.028 1 1 1874 . 17 1 1 A 188 188 LEU H H 401 9.312 8.103 1.209 1 1 1875 . 17 1 1 A 188 188 LEU HA H 401 5.580 3.753 1.827 1 1 1885 . 17 1 1 A 188 188 LEU C C 401 173.853 177.015 -3.162 1 1 1886 . 17 1 1 A 188 188 LEU CA C 401 53.421 53.701 -0.280 1 1 1887 . 17 1 1 A 188 188 LEU CB C 401 45.403 43.173 2.230 1 1 1891 . 17 1 1 A 188 188 LEU N N 401 128.151 126.504 1.647 1 1 1892 . 17 1 1 A 189 189 GLY H H 402 9.415 7.631 1.784 1 1 1893 . 17 1 1 A 189 189 GLY HA2 H 402 4.670 3.638 1.032 1 1 1894 . 17 1 1 A 189 189 GLY HA3 H 402 3.663 4.022 -0.359 1 1 1895 . 17 1 1 A 189 189 GLY C C 402 171.014 174.142 -3.128 1 1 1896 . 17 1 1 A 189 189 GLY CA C 402 44.967 45.098 -0.131 1 1 1897 . 17 1 1 A 189 189 GLY N N 402 115.881 113.187 2.694 1 1 1898 . 17 1 1 A 190 190 MET H H 403 8.118 7.549 0.569 1 1 1899 . 17 1 1 A 190 190 MET HA H 403 5.314 4.584 0.730 1 1 1907 . 17 1 1 A 190 190 MET C C 403 173.744 175.812 -2.068 1 1 1908 . 17 1 1 A 190 190 MET CA C 403 53.284 56.113 -2.829 1 1 1909 . 17 1 1 A 190 190 MET CB C 403 36.614 33.629 2.985 1 1 1912 . 17 1 1 A 190 190 MET N N 403 122.165 120.025 2.140 1 1 1934 . 17 1 1 A 203 203 ALA H H 416 8.076 8.329 -0.253 1 1 1935 . 17 1 1 A 203 203 ALA HA H 416 4.228 4.689 -0.461 1 1 1939 . 17 1 1 A 203 203 ALA C C 416 176.895 177.150 -0.255 1 1 1940 . 17 1 1 A 203 203 ALA CA C 416 52.743 51.120 1.623 1 1 1941 . 17 1 1 A 203 203 ALA CB C 416 18.723 23.439 -4.716 1 1 1942 . 17 1 1 A 203 203 ALA N N 416 119.053 123.702 -4.649 1 1 1943 . 17 1 1 A 204 204 GLU H H 417 7.784 8.902 -1.118 1 1 1944 . 17 1 1 A 204 204 GLU HA H 417 4.350 4.234 0.116 1 1 1949 . 17 1 1 A 204 204 GLU C C 417 175.678 176.562 -0.884 1 1 1950 . 17 1 1 A 204 204 GLU CA C 417 55.650 56.837 -1.187 1 1 1951 . 17 1 1 A 204 204 GLU CB C 417 30.312 30.278 0.034 1 1 1953 . 17 1 1 A 204 204 GLU N N 417 116.458 118.974 -2.516 1 1 1954 . 17 1 1 A 205 205 GLY H H 418 7.910 7.363 0.547 1 1 1955 . 17 1 1 A 205 205 GLY CA C 418 43.804 45.826 -2.022 1 1 1956 . 17 1 1 A 205 205 GLY N N 418 108.024 107.627 0.397 1 1 1957 . 17 1 1 A 206 206 THR H H 419 8.364 8.572 -0.208 1 1 1958 . 17 1 1 A 206 206 THR HA H 419 4.316 5.094 -0.778 1 1 1963 . 17 1 1 A 206 206 THR CA C 419 64.682 61.238 3.444 1 1 1964 . 17 1 1 A 206 206 THR CB C 419 69.304 72.422 -3.118 1 1 1966 . 17 1 1 A 206 206 THR N N 419 115.417 117.915 -2.498 1 1 1967 . 17 1 1 A 207 207 TRP HA H 420 4.116 5.078 -0.962 1 1 1976 . 17 1 1 A 207 207 TRP CA C 420 61.178 56.383 4.795 1 1 1977 . 17 1 1 A 207 207 TRP CB C 420 28.670 32.063 -3.393 1 1 1984 . 17 1 1 A 209 209 ILE H H 422 6.744 8.012 -1.268 1 1 1985 . 17 1 1 A 209 209 ILE HA H 422 3.349 3.997 -0.648 1 1 1993 . 17 1 1 A 209 209 ILE C C 422 178.143 175.992 2.151 1 1 1994 . 17 1 1 A 209 209 ILE CA C 422 60.865 62.614 -1.749 1 1 1995 . 17 1 1 A 209 209 ILE CB C 422 34.371 38.178 -3.807 1 1 1999 . 17 1 1 A 209 209 ILE N N 422 113.211 119.441 -6.230 1 1 2000 . 17 1 1 A 210 210 GLN H H 423 8.252 7.990 0.262 1 1 2001 . 17 1 1 A 210 210 GLN HA H 423 3.548 3.917 -0.369 1 1 2006 . 17 1 1 A 210 210 GLN C C 423 179.079 174.605 4.474 1 1 2007 . 17 1 1 A 210 210 GLN CA C 423 58.795 56.785 2.010 1 1 2008 . 17 1 1 A 210 210 GLN CB C 423 26.704 27.462 -0.758 1 1 2010 . 17 1 1 A 210 210 GLN N N 423 116.455 121.041 -4.586 1 1 2011 . 17 1 1 A 211 211 SER H H 424 8.162 7.853 0.309 1 1 2012 . 17 1 1 A 211 211 SER HA H 424 3.961 3.860 0.101 1 1 2015 . 17 1 1 A 211 211 SER C C 424 179.150 174.227 4.923 1 1 2016 . 17 1 1 A 211 211 SER CA C 424 61.850 59.596 2.254 1 1 2017 . 17 1 1 A 211 211 SER CB C 424 62.214 60.907 1.307 1 1 2018 . 17 1 1 A 211 211 SER N N 424 115.041 107.254 7.787 1 1 2019 . 17 1 1 A 212 212 LEU H H 425 8.061 8.088 -0.027 1 1 2020 . 17 1 1 A 212 212 LEU HA H 425 3.540 3.938 -0.398 1 1 2030 . 17 1 1 A 212 212 LEU C C 425 177.566 178.189 -0.623 1 1 2031 . 17 1 1 A 212 212 LEU CA C 425 58.548 57.881 0.667 1 1 2032 . 17 1 1 A 212 212 LEU CB C 425 41.665 41.757 -0.092 1 1 2036 . 17 1 1 A 212 212 LEU N N 425 124.082 120.981 3.101 1 1 2037 . 17 1 1 A 213 213 CYS H H 426 7.940 8.339 -0.399 1 1 2038 . 17 1 1 A 213 213 CYS HA H 426 3.628 3.989 -0.361 1 1 2041 . 17 1 1 A 213 213 CYS C C 426 175.741 177.186 -1.445 1 1 2042 . 17 1 1 A 213 213 CYS CA C 426 65.159 61.703 3.456 1 1 2043 . 17 1 1 A 213 213 CYS CB C 426 49.251 27.023 22.228 1 1 2044 . 17 1 1 A 213 213 CYS N N 426 114.351 117.256 -2.905 1 1 2045 . 17 1 1 A 214 214 GLN H H 427 7.510 8.033 -0.523 1 1 2046 . 17 1 1 A 214 214 GLN HA H 427 3.772 3.986 -0.214 1 1 2051 . 17 1 1 A 214 214 GLN C C 427 177.769 178.203 -0.434 1 1 2052 . 17 1 1 A 214 214 GLN CA C 427 59.019 57.924 1.095 1 1 2053 . 17 1 1 A 214 214 GLN CB C 427 27.718 27.860 -0.142 1 1 2055 . 17 1 1 A 214 214 GLN N N 427 117.399 118.214 -0.815 1 1 2056 . 17 1 1 A 215 215 SER H H 428 7.906 7.770 0.136 1 1 2057 . 17 1 1 A 215 215 SER HA H 428 4.173 4.162 0.011 1 1 2060 . 17 1 1 A 215 215 SER CA C 428 62.653 61.289 1.364 1 1 2061 . 17 1 1 A 215 215 SER CB C 428 62.889 62.866 0.023 1 1 2062 . 17 1 1 A 215 215 SER N N 428 113.799 115.833 -2.034 1 1 2063 . 17 1 1 A 216 216 LEU H H 429 8.505 7.695 0.810 1 1 2064 . 17 1 1 A 216 216 LEU HA H 429 4.156 3.809 0.347 1 1 2071 . 17 1 1 A 216 216 LEU C C 429 178.848 177.997 0.851 1 1 2072 . 17 1 1 A 216 216 LEU CA C 429 58.053 58.053 0.000 1 1 2073 . 17 1 1 A 216 216 LEU CB C 429 41.222 41.421 -0.199 1 1 2076 . 17 1 1 A 216 216 LEU N N 429 121.357 119.184 2.173 1 1 2077 . 17 1 1 A 217 217 ARG H H 430 7.972 8.154 -0.182 1 1 2078 . 17 1 1 A 217 217 ARG HA H 430 3.850 3.997 -0.147 1 1 2085 . 17 1 1 A 217 217 ARG C C 430 178.237 176.245 1.992 1 1 2086 . 17 1 1 A 217 217 ARG CA C 430 59.472 57.543 1.929 1 1 2087 . 17 1 1 A 217 217 ARG CB C 430 30.256 29.422 0.834 1 1 2090 . 17 1 1 A 217 217 ARG N N 430 116.018 118.754 -2.736 1 1 2091 . 17 1 1 A 218 218 GLU H H 431 7.583 7.771 -0.188 1 1 2092 . 17 1 1 A 218 218 GLU HA H 431 4.119 4.469 -0.350 1 1 2096 . 17 1 1 A 218 218 GLU C C 431 178.377 175.401 2.976 1 1 2097 . 17 1 1 A 218 218 GLU CA C 431 58.207 55.120 3.087 1 1 2098 . 17 1 1 A 218 218 GLU CB C 431 30.548 27.895 2.653 1 1 2100 . 17 1 1 A 218 218 GLU N N 431 113.645 118.699 -5.054 1 1 2101 . 17 1 1 A 219 219 ARG H H 432 8.621 8.367 0.254 1 1 2102 . 17 1 1 A 219 219 ARG HA H 432 4.180 3.913 0.267 1 1 2103 . 17 1 1 A 219 219 ARG C C 432 178.455 176.076 2.379 1 1 2104 . 17 1 1 A 219 219 ARG CA C 432 58.428 56.615 1.813 1 1 2105 . 17 1 1 A 219 219 ARG CB C 432 30.936 27.650 3.286 1 1 2107 . 17 1 1 A 219 219 ARG N N 432 114.272 120.231 -5.959 1 1 2108 . 17 1 1 A 220 220 CYS H H 433 8.828 7.638 1.190 1 1 2109 . 17 1 1 A 220 220 CYS HA H 433 4.464 4.151 0.313 1 1 2112 . 17 1 1 A 220 220 CYS C C 433 176.708 175.446 1.262 1 1 2113 . 17 1 1 A 220 220 CYS CA C 433 66.312 63.586 2.726 1 1 2114 . 17 1 1 A 220 220 CYS CB C 433 47.095 25.636 21.459 1 1 2115 . 17 1 1 A 220 220 CYS N N 433 120.012 117.706 2.306 1 1 2116 . 17 1 1 A 221 221 PRO HA H 434 4.463 4.746 -0.283 1 1 2123 . 17 1 1 A 221 221 PRO C C 434 177.064 176.789 0.275 1 1 2124 . 17 1 1 A 221 221 PRO CA C 434 65.717 62.474 3.243 1 1 2125 . 17 1 1 A 221 221 PRO CB C 434 31.169 30.950 0.219 1 1 2128 . 17 1 1 A 222 222 ARG H H 435 6.904 8.593 -1.689 1 1 2129 . 17 1 1 A 222 222 ARG HA H 435 4.331 4.633 -0.302 1 1 2136 . 17 1 1 A 222 222 ARG C C 435 176.536 176.427 0.109 1 1 2137 . 17 1 1 A 222 222 ARG CA C 435 55.901 56.646 -0.745 1 1 2138 . 17 1 1 A 222 222 ARG CB C 435 30.116 32.987 -2.871 1 1 2141 . 17 1 1 A 222 222 ARG N N 435 112.486 121.790 -9.304 1 1 2142 . 17 1 1 A 223 223 GLY H H 436 8.160 7.725 0.435 1 1 2143 . 17 1 1 A 223 223 GLY HA2 H 436 4.237 4.019 0.218 1 1 2144 . 17 1 1 A 223 223 GLY HA3 H 436 3.643 4.072 -0.429 1 1 2145 . 17 1 1 A 223 223 GLY C C 436 173.338 174.476 -1.138 1 1 2146 . 17 1 1 A 223 223 GLY CA C 436 43.988 45.463 -1.475 1 1 2147 . 17 1 1 A 223 223 GLY N N 436 105.931 106.169 -0.238 1 1 2148 . 17 1 1 A 224 224 ASP H H 437 6.891 7.992 -1.101 1 1 2149 . 17 1 1 A 224 224 ASP HA H 437 4.500 4.769 -0.269 1 1 2151 . 17 1 1 A 224 224 ASP C C 437 173.806 175.130 -1.324 1 1 2152 . 17 1 1 A 224 224 ASP CA C 437 54.576 54.182 0.394 1 1 2153 . 17 1 1 A 224 224 ASP CB C 437 40.588 42.289 -1.701 1 1 2154 . 17 1 1 A 224 224 ASP N N 437 119.342 121.340 -1.998 1 1 2155 . 17 1 1 A 225 225 ASP H H 438 8.054 8.708 -0.654 1 1 2156 . 17 1 1 A 225 225 ASP HA H 438 4.912 5.119 -0.207 1 1 2159 . 17 1 1 A 225 225 ASP C C 438 175.631 177.023 -1.392 1 1 2160 . 17 1 1 A 225 225 ASP CA C 438 52.579 53.071 -0.492 1 1 2161 . 17 1 1 A 225 225 ASP CB C 438 42.616 42.254 0.362 1 1 2162 . 17 1 1 A 225 225 ASP N N 438 117.877 119.604 -1.727 1 1 2163 . 17 1 1 A 226 226 ILE H H 439 9.101 8.766 0.335 1 1 2164 . 17 1 1 A 226 226 ILE HA H 439 3.621 3.769 -0.148 1 1 2174 . 17 1 1 A 226 226 ILE C C 439 176.146 177.535 -1.389 1 1 2175 . 17 1 1 A 226 226 ILE CA C 439 62.602 65.021 -2.419 1 1 2176 . 17 1 1 A 226 226 ILE CB C 439 36.530 37.738 -1.208 1 1 2180 . 17 1 1 A 226 226 ILE N N 439 118.352 122.571 -4.219 1 1 2181 . 17 1 1 A 227 227 LEU H H 440 7.814 8.139 -0.325 1 1 2182 . 17 1 1 A 227 227 LEU HA H 440 3.918 3.932 -0.014 1 1 2192 . 17 1 1 A 227 227 LEU C C 440 179.397 178.914 0.483 1 1 2193 . 17 1 1 A 227 227 LEU CA C 440 58.566 57.964 0.602 1 1 2194 . 17 1 1 A 227 227 LEU CB C 440 40.819 41.735 -0.916 1 1 2198 . 17 1 1 A 227 227 LEU N N 440 119.906 120.880 -0.974 1 1 2199 . 17 1 1 A 228 228 THR H H 441 7.665 7.757 -0.092 1 1 2200 . 17 1 1 A 228 228 THR HA H 441 4.289 3.980 0.309 1 1 2205 . 17 1 1 A 228 228 THR C C 441 179.489 176.192 3.297 1 1 2206 . 17 1 1 A 228 228 THR CA C 441 61.837 65.336 -3.499 1 1 2207 . 17 1 1 A 228 228 THR CB C 441 69.979 69.192 0.787 1 1 2209 . 17 1 1 A 228 228 THR N N 441 120.011 113.795 6.216 1 1 2210 . 17 1 1 A 229 229 ILE H H 442 7.807 8.069 -0.262 1 1 2211 . 17 1 1 A 229 229 ILE HA H 442 3.300 3.591 -0.291 1 1 2221 . 17 1 1 A 229 229 ILE C C 442 177.728 178.124 -0.396 1 1 2222 . 17 1 1 A 229 229 ILE CA C 442 66.069 65.388 0.681 1 1 2223 . 17 1 1 A 229 229 ILE CB C 442 38.260 37.877 0.383 1 1 2227 . 17 1 1 A 229 229 ILE N N 442 119.411 120.598 -1.187 1 1 2228 . 17 1 1 A 230 230 LEU H H 443 8.530 8.126 0.404 1 1 2229 . 17 1 1 A 230 230 LEU HA H 443 3.958 3.969 -0.011 1 1 2239 . 17 1 1 A 230 230 LEU C C 443 178.689 178.719 -0.030 1 1 2240 . 17 1 1 A 230 230 LEU CA C 443 57.697 58.138 -0.441 1 1 2241 . 17 1 1 A 230 230 LEU CB C 443 42.191 41.754 0.437 1 1 2245 . 17 1 1 A 230 230 LEU N N 443 116.186 121.126 -4.940 1 1 2246 . 17 1 1 A 231 231 THR H H 444 8.008 7.442 0.566 1 1 2247 . 17 1 1 A 231 231 THR HA H 444 4.153 4.235 -0.082 1 1 2252 . 17 1 1 A 231 231 THR C C 444 175.208 175.857 -0.649 1 1 2253 . 17 1 1 A 231 231 THR CA C 444 65.327 62.169 3.158 1 1 2254 . 17 1 1 A 231 231 THR CB C 444 69.718 68.917 0.801 1 1 2256 . 17 1 1 A 231 231 THR N N 444 112.075 110.214 1.861 1 1 2257 . 17 1 1 A 232 232 GLU H H 445 7.717 7.791 -0.074 1 1 2258 . 17 1 1 A 232 232 GLU HA H 445 4.186 4.055 0.131 1 1 2259 . 17 1 1 A 232 232 GLU C C 445 177.156 178.227 -1.071 1 1 2260 . 17 1 1 A 232 232 GLU CA C 445 57.891 58.822 -0.931 1 1 2261 . 17 1 1 A 232 232 GLU CB C 445 28.836 29.322 -0.486 1 1 2263 . 17 1 1 A 232 232 GLU N N 445 120.074 122.156 -2.082 1 1 2294 . 17 1 1 A 252 252 GLN H H 465 8.586 8.643 -0.057 1 1 2295 . 17 1 1 A 252 252 GLN HA H 465 4.689 5.014 -0.325 1 1 2296 . 17 1 1 A 252 252 GLN C C 465 174.446 175.207 -0.761 1 1 2297 . 17 1 1 A 252 252 GLN CA C 465 53.682 53.032 0.650 1 1 2298 . 17 1 1 A 252 252 GLN CB C 465 28.537 28.726 -0.189 1 1 2300 . 17 1 1 A 252 252 GLN N N 465 121.782 117.071 4.711 1 1 2301 . 17 1 1 A 253 253 PRO HA H 466 4.902 4.931 -0.029 1 1 2302 . 17 1 1 A 253 253 PRO C C 466 174.937 176.375 -1.438 1 1 2303 . 17 1 1 A 253 253 PRO CA C 466 63.075 62.925 0.150 1 1 2304 . 17 1 1 A 253 253 PRO CB C 466 32.384 33.419 -1.035 1 1 2307 . 17 1 1 A 254 254 THR H H 467 8.556 8.772 -0.216 1 1 2308 . 17 1 1 A 254 254 THR HA H 467 4.659 5.105 -0.446 1 1 2313 . 17 1 1 A 254 254 THR C C 467 172.995 173.487 -0.492 1 1 2314 . 17 1 1 A 254 254 THR CA C 467 61.740 60.265 1.475 1 1 2315 . 17 1 1 A 254 254 THR CB C 467 70.195 70.470 -0.275 1 1 2317 . 17 1 1 A 254 254 THR N N 467 115.754 111.697 4.057 1 1 2318 . 17 1 1 A 255 255 PHE H H 468 8.560 8.476 0.084 1 1 2319 . 17 1 1 A 255 255 PHE HA H 468 5.502 5.219 0.283 1 1 2322 . 17 1 1 A 255 255 PHE C C 468 173.198 173.640 -0.442 1 1 2323 . 17 1 1 A 255 255 PHE CA C 468 56.283 55.638 0.645 1 1 2324 . 17 1 1 A 255 255 PHE CB C 468 43.426 41.592 1.834 1 1 2325 . 17 1 1 A 255 255 PHE N N 468 120.481 121.215 -0.734 1 1 2326 . 17 1 1 A 256 256 THR H H 469 9.702 8.396 1.306 1 1 2327 . 17 1 1 A 256 256 THR HA H 469 4.662 5.054 -0.392 1 1 2332 . 17 1 1 A 256 256 THR C C 469 176.561 173.157 3.404 1 1 2333 . 17 1 1 A 256 256 THR CA C 469 59.948 60.950 -1.002 1 1 2334 . 17 1 1 A 256 256 THR CB C 469 69.145 70.424 -1.279 1 1 2336 . 17 1 1 A 256 256 THR N N 469 108.601 114.525 -5.924 1 1 2337 . 17 1 1 A 257 257 LEU H H 470 7.235 8.996 -1.761 1 1 2338 . 17 1 1 A 257 257 LEU HA H 470 4.401 5.179 -0.778 1 1 2348 . 17 1 1 A 257 257 LEU C C 470 175.975 176.551 -0.576 1 1 2349 . 17 1 1 A 257 257 LEU CA C 470 55.492 53.132 2.360 1 1 2350 . 17 1 1 A 257 257 LEU CB C 470 41.850 45.596 -3.746 1 1 2354 . 17 1 1 A 257 257 LEU N N 470 120.802 128.109 -7.307 1 1 2355 . 17 1 1 A 258 258 ARG H H 471 8.228 8.402 -0.174 1 1 2356 . 17 1 1 A 258 258 ARG HA H 471 4.631 4.388 0.243 1 1 2363 . 17 1 1 A 258 258 ARG C C 471 174.114 175.724 -1.610 1 1 2364 . 17 1 1 A 258 258 ARG CA C 471 55.071 56.702 -1.631 1 1 2365 . 17 1 1 A 258 258 ARG CB C 471 32.470 30.630 1.840 1 1 2368 . 17 1 1 A 258 258 ARG N N 471 118.883 122.804 -3.921 1 1 2369 . 17 1 1 A 259 259 LYS H H 472 7.217 7.460 -0.243 1 1 2370 . 17 1 1 A 259 259 LYS HA H 472 4.260 4.802 -0.542 1 1 2379 . 17 1 1 A 259 259 LYS C C 472 174.571 174.813 -0.242 1 1 2380 . 17 1 1 A 259 259 LYS CA C 472 53.269 54.490 -1.221 1 1 2381 . 17 1 1 A 259 259 LYS CB C 472 36.332 37.646 -1.314 1 1 2385 . 17 1 1 A 259 259 LYS N N 472 116.031 118.411 -2.380 1 1 2386 . 17 1 1 A 260 260 LYS H H 473 8.357 8.577 -0.220 1 1 2387 . 17 1 1 A 260 260 LYS HA H 473 4.297 4.408 -0.111 1 1 2396 . 17 1 1 A 260 260 LYS C C 473 174.137 175.247 -1.110 1 1 2397 . 17 1 1 A 260 260 LYS CA C 473 57.258 57.131 0.127 1 1 2398 . 17 1 1 A 260 260 LYS CB C 473 33.561 33.327 0.234 1 1 2402 . 17 1 1 A 260 260 LYS N N 473 119.377 122.054 -2.677 1 1 2403 . 17 1 1 A 261 261 LEU H H 474 9.288 8.584 0.704 1 1 2404 . 17 1 1 A 261 261 LEU HA H 474 5.048 4.722 0.326 1 1 2414 . 17 1 1 A 261 261 LEU C C 474 172.558 174.954 -2.396 1 1 2415 . 17 1 1 A 261 261 LEU CA C 474 53.327 54.639 -1.312 1 1 2416 . 17 1 1 A 261 261 LEU CB C 474 44.313 42.309 2.004 1 1 2420 . 17 1 1 A 261 261 LEU N N 474 126.482 125.033 1.449 1 1 2421 . 17 1 1 A 262 262 VAL H H 475 8.876 8.711 0.165 1 1 2422 . 17 1 1 A 262 262 VAL HA H 475 4.238 4.973 -0.735 1 1 2430 . 17 1 1 A 262 262 VAL C C 475 174.243 174.547 -0.304 1 1 2431 . 17 1 1 A 262 262 VAL CA C 475 59.734 60.658 -0.924 1 1 2432 . 17 1 1 A 262 262 VAL CB C 475 34.790 36.124 -1.334 1 1 2435 . 17 1 1 A 262 262 VAL N N 475 124.316 125.046 -0.730 1 1 2436 . 17 1 1 A 263 263 PHE H H 476 8.826 8.937 -0.111 1 1 2437 . 17 1 1 A 263 263 PHE HA H 476 5.518 5.414 0.104 1 1 2443 . 17 1 1 A 263 263 PHE C C 476 171.887 173.220 -1.333 1 1 2444 . 17 1 1 A 263 263 PHE CA C 476 52.082 54.541 -2.459 1 1 2445 . 17 1 1 A 263 263 PHE CB C 476 39.792 39.196 0.596 1 1 2449 . 17 1 1 A 263 263 PHE N N 476 122.867 124.661 -1.794 1 1 2450 . 17 1 1 A 264 264 PRO HA H 477 4.649 4.741 -0.092 1 1 2457 . 17 1 1 A 264 264 PRO C C 477 178.322 175.770 2.552 1 1 2458 . 17 1 1 A 264 264 PRO CA C 477 62.333 62.438 -0.105 1 1 2459 . 17 1 1 A 264 264 PRO CB C 477 32.553 33.271 -0.718 1 1 2462 . 17 1 1 A 265 265 SER H H 478 8.763 8.338 0.425 1 1 2463 . 17 1 1 A 265 265 SER HA H 478 4.494 4.404 0.090 1 1 2466 . 17 1 1 A 265 265 SER C C 478 173.725 173.725 0.000 1 1 2467 . 17 1 1 A 265 265 SER CA C 478 59.060 58.325 0.735 1 1 2468 . 17 1 1 A 265 265 SER CB C 478 64.038 63.480 0.558 1 1 2469 . 17 1 1 A 265 265 SER N N 478 116.725 111.402 5.323 1 1 17 . 18 1 1 A 12 12 VAL H H 225 7.819 8.352 -0.533 1 1 18 . 18 1 1 A 12 12 VAL HA H 225 4.946 3.707 1.239 1 1 26 . 18 1 1 A 12 12 VAL C C 225 175.898 176.226 -0.328 1 1 27 . 18 1 1 A 12 12 VAL CA C 225 59.650 62.779 -3.129 1 1 28 . 18 1 1 A 12 12 VAL CB C 225 35.296 31.451 3.845 1 1 31 . 18 1 1 A 12 12 VAL N N 225 117.637 123.717 -6.080 1 1 32 . 18 1 1 A 13 13 TYR H H 226 8.318 8.342 -0.024 1 1 33 . 18 1 1 A 13 13 TYR HA H 226 4.291 4.084 0.207 1 1 36 . 18 1 1 A 13 13 TYR C C 226 176.911 175.303 1.608 1 1 37 . 18 1 1 A 13 13 TYR CA C 226 60.063 58.894 1.169 1 1 38 . 18 1 1 A 13 13 TYR CB C 226 37.843 35.675 2.168 1 1 39 . 18 1 1 A 13 13 TYR N N 226 122.976 121.807 1.169 1 1 40 . 18 1 1 A 14 14 GLN H H 227 9.128 7.487 1.641 1 1 41 . 18 1 1 A 14 14 GLN HA H 227 3.996 4.477 -0.481 1 1 46 . 18 1 1 A 14 14 GLN C C 227 175.052 177.109 -2.057 1 1 47 . 18 1 1 A 14 14 GLN CA C 227 57.421 55.378 2.043 1 1 48 . 18 1 1 A 14 14 GLN CB C 227 29.550 29.013 0.537 1 1 50 . 18 1 1 A 14 14 GLN N N 227 124.676 118.441 6.235 1 1 51 . 18 1 1 A 15 15 MET H H 228 8.465 8.029 0.436 1 1 52 . 18 1 1 A 15 15 MET HA H 228 5.210 4.489 0.721 1 1 60 . 18 1 1 A 15 15 MET C C 228 172.979 177.138 -4.159 1 1 61 . 18 1 1 A 15 15 MET CA C 228 52.955 54.855 -1.900 1 1 62 . 18 1 1 A 15 15 MET CB C 228 30.751 31.246 -0.495 1 1 65 . 18 1 1 A 15 15 MET N N 228 128.835 118.717 10.118 1 1 66 . 18 1 1 A 16 16 LYS H H 229 9.119 8.186 0.933 1 1 67 . 18 1 1 A 16 16 LYS HA H 229 4.558 4.291 0.267 1 1 76 . 18 1 1 A 16 16 LYS C C 229 176.209 175.500 0.709 1 1 77 . 18 1 1 A 16 16 LYS CA C 229 55.916 56.939 -1.023 1 1 78 . 18 1 1 A 16 16 LYS CB C 229 35.555 31.953 3.602 1 1 82 . 18 1 1 A 16 16 LYS N N 229 120.235 116.083 4.152 1 1 83 . 18 1 1 A 17 17 SER H H 230 9.101 7.967 1.134 1 1 84 . 18 1 1 A 17 17 SER HA H 230 4.077 4.698 -0.621 1 1 87 . 18 1 1 A 17 17 SER C C 230 172.995 173.690 -0.695 1 1 88 . 18 1 1 A 17 17 SER CA C 230 59.615 57.700 1.915 1 1 89 . 18 1 1 A 17 17 SER CB C 230 64.482 65.796 -1.314 1 1 90 . 18 1 1 A 17 17 SER N N 230 121.500 113.190 8.310 1 1 91 . 18 1 1 A 18 18 LYS H H 231 8.120 9.123 -1.003 1 1 92 . 18 1 1 A 18 18 LYS HA H 231 4.373 3.980 0.393 1 1 101 . 18 1 1 A 18 18 LYS C C 231 173.565 176.916 -3.351 1 1 102 . 18 1 1 A 18 18 LYS CA C 231 53.231 57.066 -3.835 1 1 103 . 18 1 1 A 18 18 LYS CB C 231 34.596 30.907 3.689 1 1 107 . 18 1 1 A 18 18 LYS N N 231 120.561 127.183 -6.622 1 1 108 . 18 1 1 A 19 19 PRO HA H 232 4.898 4.261 0.637 1 1 115 . 18 1 1 A 19 19 PRO C C 232 176.162 177.094 -0.932 1 1 116 . 18 1 1 A 19 19 PRO CA C 232 62.838 66.161 -3.323 1 1 117 . 18 1 1 A 19 19 PRO CB C 232 34.997 31.294 3.703 1 1 120 . 18 1 1 A 20 20 ARG H H 233 8.782 7.814 0.968 1 1 121 . 18 1 1 A 20 20 ARG HA H 233 3.651 3.809 -0.158 1 1 122 . 18 1 1 A 20 20 ARG C C 233 175.210 175.433 -0.223 1 1 123 . 18 1 1 A 20 20 ARG CA C 233 56.621 56.979 -0.358 1 1 124 . 18 1 1 A 20 20 ARG CB C 233 30.581 27.587 2.994 1 1 127 . 18 1 1 A 20 20 ARG N N 233 118.785 116.530 2.255 1 1 128 . 18 1 1 A 21 21 GLY H H 234 6.490 8.065 -1.575 1 1 129 . 18 1 1 A 21 21 GLY HA2 H 234 4.312 3.566 0.746 1 1 130 . 18 1 1 A 21 21 GLY HA3 H 234 4.662 3.645 1.017 1 1 131 . 18 1 1 A 21 21 GLY C C 234 172.012 172.269 -0.257 1 1 132 . 18 1 1 A 21 21 GLY CA C 234 43.743 44.995 -1.252 1 1 133 . 18 1 1 A 21 21 GLY N N 234 128.529 106.738 21.791 1 1 134 . 18 1 1 A 22 22 TYR H H 235 9.327 8.339 0.988 1 1 135 . 18 1 1 A 22 22 TYR HA H 235 5.260 5.399 -0.139 1 1 140 . 18 1 1 A 22 22 TYR C C 235 173.931 174.402 -0.471 1 1 141 . 18 1 1 A 22 22 TYR CA C 235 58.287 56.658 1.629 1 1 142 . 18 1 1 A 22 22 TYR CB C 235 39.762 39.332 0.430 1 1 145 . 18 1 1 A 22 22 TYR N N 235 119.429 120.219 -0.790 1 1 146 . 18 1 1 A 23 23 CYS H H 236 8.665 9.222 -0.557 1 1 147 . 18 1 1 A 23 23 CYS HA H 236 4.928 4.498 0.430 1 1 148 . 18 1 1 A 23 23 CYS C C 236 172.970 174.323 -1.353 1 1 149 . 18 1 1 A 23 23 CYS CA C 236 55.636 58.430 -2.794 1 1 150 . 18 1 1 A 23 23 CYS CB C 236 50.040 28.656 21.384 1 1 151 . 18 1 1 A 23 23 CYS N N 236 120.485 124.261 -3.776 1 1 152 . 18 1 1 A 24 24 LEU H H 237 8.619 7.911 0.708 1 1 153 . 18 1 1 A 24 24 LEU HA H 237 4.691 5.415 -0.724 1 1 163 . 18 1 1 A 24 24 LEU C C 237 175.850 175.977 -0.127 1 1 164 . 18 1 1 A 24 24 LEU CA C 237 54.053 53.496 0.557 1 1 165 . 18 1 1 A 24 24 LEU CB C 237 44.117 43.671 0.446 1 1 169 . 18 1 1 A 24 24 LEU N N 237 129.465 124.593 4.872 1 1 170 . 18 1 1 A 25 25 ILE H H 238 8.304 8.799 -0.495 1 1 171 . 18 1 1 A 25 25 ILE HA H 238 4.639 4.855 -0.216 1 1 179 . 18 1 1 A 25 25 ILE C C 238 174.032 174.924 -0.892 1 1 180 . 18 1 1 A 25 25 ILE CA C 238 60.879 60.305 0.574 1 1 181 . 18 1 1 A 25 25 ILE CB C 238 41.165 41.974 -0.809 1 1 185 . 18 1 1 A 25 25 ILE N N 238 122.597 122.540 0.057 1 1 186 . 18 1 1 A 26 26 ILE H H 239 9.025 9.038 -0.013 1 1 187 . 18 1 1 A 26 26 ILE HA H 239 4.778 4.753 0.025 1 1 197 . 18 1 1 A 26 26 ILE C C 239 173.104 174.189 -1.085 1 1 198 . 18 1 1 A 26 26 ILE CA C 239 60.733 60.557 0.176 1 1 199 . 18 1 1 A 26 26 ILE CB C 239 38.237 38.809 -0.572 1 1 203 . 18 1 1 A 26 26 ILE N N 239 129.303 127.416 1.887 1 1 204 . 18 1 1 A 27 27 ASN H H 240 8.957 9.198 -0.241 1 1 205 . 18 1 1 A 27 27 ASN HA H 240 5.174 4.947 0.227 1 1 208 . 18 1 1 A 27 27 ASN C C 240 172.948 173.730 -0.782 1 1 209 . 18 1 1 A 27 27 ASN CA C 240 52.055 51.874 0.181 1 1 210 . 18 1 1 A 27 27 ASN CB C 240 40.530 37.925 2.605 1 1 211 . 18 1 1 A 27 27 ASN N N 240 125.494 127.739 -2.245 1 1 212 . 18 1 1 A 28 28 ASN H H 241 9.118 7.648 1.470 1 1 213 . 18 1 1 A 28 28 ASN HA H 241 5.106 5.150 -0.044 1 1 216 . 18 1 1 A 28 28 ASN C C 241 172.184 174.877 -2.693 1 1 217 . 18 1 1 A 28 28 ASN CA C 241 52.599 51.819 0.780 1 1 218 . 18 1 1 A 28 28 ASN CB C 241 38.296 40.676 -2.380 1 1 219 . 18 1 1 A 28 28 ASN N N 241 125.089 121.503 3.586 1 1 220 . 18 1 1 A 29 29 HIS H H 242 9.512 8.420 1.092 1 1 221 . 18 1 1 A 29 29 HIS HA H 242 4.384 4.721 -0.337 1 1 224 . 18 1 1 A 29 29 HIS C C 242 173.519 174.698 -1.179 1 1 225 . 18 1 1 A 29 29 HIS CA C 242 59.174 55.769 3.405 1 1 226 . 18 1 1 A 29 29 HIS CB C 242 28.022 30.110 -2.088 1 1 227 . 18 1 1 A 29 29 HIS N N 242 125.634 120.662 4.972 1 1 228 . 18 1 1 A 30 30 ASN H H 243 8.623 8.343 0.280 1 1 229 . 18 1 1 A 30 30 ASN HA H 243 4.148 4.406 -0.258 1 1 234 . 18 1 1 A 30 30 ASN C C 243 175.052 175.894 -0.842 1 1 235 . 18 1 1 A 30 30 ASN CA C 243 53.229 54.139 -0.910 1 1 236 . 18 1 1 A 30 30 ASN CB C 243 38.980 36.350 2.630 1 1 237 . 18 1 1 A 30 30 ASN N N 243 119.059 116.476 2.583 1 1 239 . 18 1 1 A 31 31 PHE H H 244 8.676 8.408 0.268 1 1 240 . 18 1 1 A 31 31 PHE HA H 244 4.686 4.614 0.072 1 1 243 . 18 1 1 A 31 31 PHE C C 244 174.399 176.771 -2.372 1 1 244 . 18 1 1 A 31 31 PHE CA C 244 57.688 57.066 0.622 1 1 245 . 18 1 1 A 31 31 PHE CB C 244 39.026 39.729 -0.703 1 1 246 . 18 1 1 A 31 31 PHE N N 244 124.091 116.843 7.248 1 1 247 . 18 1 1 A 32 32 ALA H H 245 8.244 7.647 0.597 1 1 248 . 18 1 1 A 32 32 ALA HA H 245 3.869 3.611 0.258 1 1 252 . 18 1 1 A 32 32 ALA C C 245 180.452 178.359 2.093 1 1 253 . 18 1 1 A 32 32 ALA CA C 245 56.274 55.141 1.133 1 1 254 . 18 1 1 A 32 32 ALA CB C 245 18.181 18.831 -0.650 1 1 255 . 18 1 1 A 32 32 ALA N N 245 122.713 124.299 -1.586 1 1 256 . 18 1 1 A 33 33 LYS H H 246 8.964 7.507 1.457 1 1 257 . 18 1 1 A 33 33 LYS HA H 246 4.089 4.513 -0.424 1 1 266 . 18 1 1 A 33 33 LYS C C 246 177.441 176.048 1.393 1 1 267 . 18 1 1 A 33 33 LYS CA C 246 58.632 57.127 1.505 1 1 268 . 18 1 1 A 33 33 LYS CB C 246 30.418 35.131 -4.713 1 1 272 . 18 1 1 A 33 33 LYS N N 246 116.888 115.626 1.262 1 1 273 . 18 1 1 A 34 34 ALA H H 247 7.088 8.344 -1.256 1 1 274 . 18 1 1 A 34 34 ALA HA H 247 3.752 4.054 -0.302 1 1 278 . 18 1 1 A 34 34 ALA C C 247 177.581 177.835 -0.254 1 1 279 . 18 1 1 A 34 34 ALA CA C 247 55.502 53.428 2.074 1 1 280 . 18 1 1 A 34 34 ALA CB C 247 18.099 18.002 0.097 1 1 281 . 18 1 1 A 34 34 ALA N N 247 122.047 120.745 1.302 1 1 282 . 18 1 1 A 35 35 ARG H H 248 7.706 8.259 -0.553 1 1 283 . 18 1 1 A 35 35 ARG HA H 248 4.338 4.150 0.188 1 1 292 . 18 1 1 A 35 35 ARG C C 248 179.094 176.871 2.223 1 1 293 . 18 1 1 A 35 35 ARG CA C 248 56.283 57.728 -1.445 1 1 294 . 18 1 1 A 35 35 ARG CB C 248 30.668 29.058 1.610 1 1 297 . 18 1 1 A 35 35 ARG N N 248 112.008 116.589 -4.581 1 1 299 . 18 1 1 A 36 36 GLU H H 249 7.707 7.956 -0.249 1 1 300 . 18 1 1 A 36 36 GLU HA H 249 4.121 4.561 -0.440 1 1 305 . 18 1 1 A 36 36 GLU C C 249 178.205 177.911 0.294 1 1 306 . 18 1 1 A 36 36 GLU CA C 249 58.194 57.736 0.458 1 1 307 . 18 1 1 A 36 36 GLU CB C 249 30.596 31.812 -1.216 1 1 309 . 18 1 1 A 36 36 GLU N N 249 116.945 118.199 -1.254 1 1 310 . 18 1 1 A 37 37 LYS H H 250 7.954 8.609 -0.655 1 1 311 . 18 1 1 A 37 37 LYS HA H 250 4.381 4.124 0.257 1 1 320 . 18 1 1 A 37 37 LYS C C 250 176.772 176.532 0.240 1 1 321 . 18 1 1 A 37 37 LYS CA C 250 57.323 59.290 -1.967 1 1 322 . 18 1 1 A 37 37 LYS CB C 250 34.892 32.827 2.065 1 1 326 . 18 1 1 A 37 37 LYS N N 250 114.798 120.800 -6.002 1 1 327 . 18 1 1 A 38 38 VAL H H 251 8.298 7.584 0.714 1 1 328 . 18 1 1 A 38 38 VAL HA H 251 4.582 4.599 -0.017 1 1 336 . 18 1 1 A 38 38 VAL C C 251 174.903 174.365 0.538 1 1 337 . 18 1 1 A 38 38 VAL CA C 251 60.316 58.977 1.339 1 1 338 . 18 1 1 A 38 38 VAL CB C 251 32.374 32.016 0.358 1 1 341 . 18 1 1 A 38 38 VAL N N 251 120.907 119.961 0.946 1 1 342 . 18 1 1 A 40 40 LYS H H 253 8.588 8.039 0.549 1 1 343 . 18 1 1 A 40 40 LYS HA H 253 4.275 4.456 -0.181 1 1 352 . 18 1 1 A 40 40 LYS C C 253 176.447 177.012 -0.565 1 1 353 . 18 1 1 A 40 40 LYS CA C 253 58.550 58.722 -0.172 1 1 354 . 18 1 1 A 40 40 LYS CB C 253 31.568 33.037 -1.469 1 1 358 . 18 1 1 A 40 40 LYS N N 253 113.861 115.825 -1.964 1 1 359 . 18 1 1 A 41 41 LEU H H 254 7.948 8.046 -0.098 1 1 360 . 18 1 1 A 41 41 LEU HA H 254 4.391 3.947 0.444 1 1 370 . 18 1 1 A 41 41 LEU C C 254 175.989 175.566 0.423 1 1 371 . 18 1 1 A 41 41 LEU CA C 254 53.279 55.733 -2.454 1 1 372 . 18 1 1 A 41 41 LEU CB C 254 40.369 40.660 -0.291 1 1 376 . 18 1 1 A 41 41 LEU N N 254 118.998 120.679 -1.681 1 1 377 . 18 1 1 A 42 42 HIS H H 255 7.167 8.293 -1.126 1 1 378 . 18 1 1 A 42 42 HIS HA H 255 4.376 4.794 -0.418 1 1 382 . 18 1 1 A 42 42 HIS C C 255 174.836 174.876 -0.040 1 1 383 . 18 1 1 A 42 42 HIS CA C 255 59.188 54.653 4.535 1 1 384 . 18 1 1 A 42 42 HIS CB C 255 30.311 28.188 2.123 1 1 386 . 18 1 1 A 42 42 HIS N N 255 116.251 117.957 -1.706 1 1 387 . 18 1 1 A 43 43 SER H H 256 7.735 8.194 -0.459 1 1 388 . 18 1 1 A 43 43 SER HA H 256 4.490 3.988 0.502 1 1 391 . 18 1 1 A 43 43 SER C C 256 174.045 174.257 -0.212 1 1 392 . 18 1 1 A 43 43 SER CA C 256 56.420 59.013 -2.593 1 1 393 . 18 1 1 A 43 43 SER CB C 256 64.093 60.892 3.201 1 1 394 . 18 1 1 A 43 43 SER N N 256 110.725 114.575 -3.850 1 1 395 . 18 1 1 A 44 44 ILE H H 257 7.403 7.436 -0.033 1 1 396 . 18 1 1 A 44 44 ILE HA H 257 3.806 4.201 -0.395 1 1 406 . 18 1 1 A 44 44 ILE C C 257 174.321 175.546 -1.225 1 1 407 . 18 1 1 A 44 44 ILE CA C 257 61.640 60.465 1.175 1 1 408 . 18 1 1 A 44 44 ILE CB C 257 38.324 39.667 -1.343 1 1 412 . 18 1 1 A 44 44 ILE N N 257 124.717 120.597 4.120 1 1 413 . 18 1 1 A 45 45 ARG H H 258 8.043 8.001 0.042 1 1 414 . 18 1 1 A 45 45 ARG HA H 258 4.201 4.227 -0.026 1 1 421 . 18 1 1 A 45 45 ARG C C 258 177.535 175.148 2.387 1 1 422 . 18 1 1 A 45 45 ARG CA C 258 55.412 55.845 -0.433 1 1 423 . 18 1 1 A 45 45 ARG CB C 258 31.546 29.499 2.047 1 1 426 . 18 1 1 A 45 45 ARG N N 258 124.319 123.335 0.984 1 1 427 . 18 1 1 A 46 46 ASP H H 259 8.584 8.546 0.038 1 1 428 . 18 1 1 A 46 46 ASP HA H 259 5.096 3.907 1.189 1 1 431 . 18 1 1 A 46 46 ASP C C 259 177.819 175.481 2.338 1 1 432 . 18 1 1 A 46 46 ASP CA C 259 55.248 53.715 1.533 1 1 433 . 18 1 1 A 46 46 ASP CB C 259 39.614 42.406 -2.792 1 1 434 . 18 1 1 A 46 46 ASP N N 259 120.371 126.004 -5.633 1 1 435 . 18 1 1 A 47 47 ARG H H 260 8.632 8.011 0.621 1 1 442 . 18 1 1 A 47 47 ARG CA C 260 56.228 57.326 -1.098 1 1 443 . 18 1 1 A 47 47 ARG CB C 260 26.981 28.026 -1.045 1 1 445 . 18 1 1 A 47 47 ARG N N 260 123.120 116.149 6.971 1 1 447 . 18 1 1 A 51 51 HIS HA H 264 4.293 4.471 -0.178 1 1 451 . 18 1 1 A 51 51 HIS C C 264 178.002 176.169 1.833 1 1 452 . 18 1 1 A 51 51 HIS CA C 264 60.062 57.303 2.759 1 1 453 . 18 1 1 A 51 51 HIS CB C 264 29.109 29.474 -0.365 1 1 455 . 18 1 1 A 52 52 LEU H H 265 7.474 7.586 -0.112 1 1 456 . 18 1 1 A 52 52 LEU HA H 265 4.125 3.804 0.321 1 1 466 . 18 1 1 A 52 52 LEU C C 265 180.623 178.858 1.765 1 1 467 . 18 1 1 A 52 52 LEU CA C 265 56.921 57.618 -0.697 1 1 468 . 18 1 1 A 52 52 LEU CB C 265 40.572 41.124 -0.552 1 1 472 . 18 1 1 A 52 52 LEU N N 265 122.692 121.444 1.248 1 1 473 . 18 1 1 A 53 53 ASP H H 266 6.993 8.283 -1.290 1 1 474 . 18 1 1 A 53 53 ASP C C 266 176.536 178.179 -1.643 1 1 475 . 18 1 1 A 53 53 ASP CA C 266 56.718 57.220 -0.502 1 1 476 . 18 1 1 A 53 53 ASP CB C 266 39.787 40.865 -1.078 1 1 477 . 18 1 1 A 53 53 ASP N N 266 122.192 120.133 2.059 1 1 478 . 18 1 1 A 54 54 ALA H H 267 8.217 8.234 -0.017 1 1 479 . 18 1 1 A 54 54 ALA HA H 267 3.840 4.123 -0.283 1 1 483 . 18 1 1 A 54 54 ALA C C 267 180.507 179.866 0.641 1 1 484 . 18 1 1 A 54 54 ALA CA C 267 55.836 54.971 0.865 1 1 485 . 18 1 1 A 54 54 ALA CB C 267 17.386 18.526 -1.140 1 1 486 . 18 1 1 A 54 54 ALA N N 267 121.612 122.239 -0.627 1 1 487 . 18 1 1 A 55 55 GLY H H 268 8.481 8.442 0.039 1 1 488 . 18 1 1 A 55 55 GLY C C 268 174.929 176.160 -1.231 1 1 489 . 18 1 1 A 55 55 GLY CA C 268 46.546 47.179 -0.633 1 1 490 . 18 1 1 A 55 55 GLY N N 268 107.453 105.588 1.865 1 1 491 . 18 1 1 A 56 56 ALA H H 269 7.759 7.935 -0.176 1 1 492 . 18 1 1 A 56 56 ALA HA H 269 4.190 4.021 0.169 1 1 496 . 18 1 1 A 56 56 ALA C C 269 180.493 179.848 0.645 1 1 497 . 18 1 1 A 56 56 ALA CA C 269 55.311 54.444 0.867 1 1 498 . 18 1 1 A 56 56 ALA CB C 269 17.951 18.477 -0.526 1 1 499 . 18 1 1 A 56 56 ALA N N 269 125.518 125.264 0.254 1 1 500 . 18 1 1 A 57 57 LEU H H 270 8.224 7.847 0.377 1 1 501 . 18 1 1 A 57 57 LEU HA H 270 3.840 4.172 -0.332 1 1 506 . 18 1 1 A 57 57 LEU C C 270 177.499 179.489 -1.990 1 1 507 . 18 1 1 A 57 57 LEU CA C 270 58.315 57.699 0.616 1 1 508 . 18 1 1 A 57 57 LEU CB C 270 43.182 42.386 0.796 1 1 511 . 18 1 1 A 57 57 LEU N N 270 121.610 119.132 2.478 1 1 512 . 18 1 1 A 58 58 THR H H 271 7.976 8.639 -0.663 1 1 513 . 18 1 1 A 58 58 THR HA H 271 4.432 4.106 0.326 1 1 518 . 18 1 1 A 58 58 THR C C 271 174.457 176.638 -2.181 1 1 519 . 18 1 1 A 58 58 THR CA C 271 68.788 66.540 2.248 1 1 520 . 18 1 1 A 58 58 THR CB C 271 67.557 68.295 -0.738 1 1 522 . 18 1 1 A 58 58 THR N N 271 115.528 113.548 1.980 1 1 523 . 18 1 1 A 59 59 THR H H 272 8.085 8.728 -0.643 1 1 524 . 18 1 1 A 59 59 THR HA H 272 3.911 3.940 -0.029 1 1 529 . 18 1 1 A 59 59 THR C C 272 176.131 176.563 -0.432 1 1 530 . 18 1 1 A 59 59 THR CA C 272 65.908 65.575 0.333 1 1 531 . 18 1 1 A 59 59 THR CB C 272 69.045 68.971 0.074 1 1 533 . 18 1 1 A 59 59 THR N N 272 114.864 115.260 -0.396 1 1 534 . 18 1 1 A 60 60 THR H H 273 7.875 8.136 -0.261 1 1 535 . 18 1 1 A 60 60 THR HA H 273 3.423 3.848 -0.425 1 1 540 . 18 1 1 A 60 60 THR C C 273 175.166 175.590 -0.424 1 1 541 . 18 1 1 A 60 60 THR CA C 273 67.291 66.095 1.196 1 1 542 . 18 1 1 A 60 60 THR CB C 273 68.824 68.261 0.563 1 1 544 . 18 1 1 A 60 60 THR N N 273 116.718 117.180 -0.462 1 1 545 . 18 1 1 A 61 61 PHE H H 274 8.219 7.831 0.388 1 1 546 . 18 1 1 A 61 61 PHE HA H 274 4.213 4.453 -0.240 1 1 552 . 18 1 1 A 61 61 PHE C C 274 178.034 177.442 0.592 1 1 553 . 18 1 1 A 61 61 PHE CA C 274 63.308 60.176 3.132 1 1 554 . 18 1 1 A 61 61 PHE CB C 274 37.080 39.979 -2.899 1 1 558 . 18 1 1 A 61 61 PHE N N 274 114.721 117.427 -2.706 1 1 559 . 18 1 1 A 62 62 GLU H H 275 8.810 8.141 0.669 1 1 560 . 18 1 1 A 62 62 GLU HA H 275 4.416 3.936 0.480 1 1 565 . 18 1 1 A 62 62 GLU C C 275 181.232 179.317 1.915 1 1 566 . 18 1 1 A 62 62 GLU CA C 275 60.190 59.325 0.865 1 1 567 . 18 1 1 A 62 62 GLU CB C 275 28.990 29.338 -0.348 1 1 569 . 18 1 1 A 62 62 GLU N N 275 123.787 121.673 2.114 1 1 570 . 18 1 1 A 63 63 GLU H H 276 7.698 7.955 -0.257 1 1 571 . 18 1 1 A 63 63 GLU HA H 276 3.871 4.197 -0.326 1 1 575 . 18 1 1 A 63 63 GLU C C 276 176.721 177.409 -0.688 1 1 576 . 18 1 1 A 63 63 GLU CA C 276 58.821 58.571 0.250 1 1 577 . 18 1 1 A 63 63 GLU CB C 276 29.251 28.172 1.079 1 1 579 . 18 1 1 A 63 63 GLU N N 276 120.707 117.260 3.447 1 1 580 . 18 1 1 A 64 64 LEU H H 277 6.708 7.719 -1.011 1 1 581 . 18 1 1 A 64 64 LEU HA H 277 4.148 4.408 -0.260 1 1 589 . 18 1 1 A 64 64 LEU C C 277 174.571 176.652 -2.081 1 1 590 . 18 1 1 A 64 64 LEU CA C 277 54.060 55.346 -1.286 1 1 594 . 18 1 1 A 64 64 LEU N N 277 115.451 119.469 -4.018 1 1 595 . 18 1 1 A 65 65 HIS H H 278 7.388 7.878 -0.490 1 1 596 . 18 1 1 A 65 65 HIS HA H 278 4.259 4.167 0.092 1 1 599 . 18 1 1 A 65 65 HIS C C 278 174.571 174.006 0.565 1 1 600 . 18 1 1 A 65 65 HIS CA C 278 57.737 56.902 0.835 1 1 601 . 18 1 1 A 65 65 HIS CB C 278 26.020 28.527 -2.507 1 1 602 . 18 1 1 A 65 65 HIS N N 278 107.287 117.414 -10.127 1 1 603 . 18 1 1 A 66 66 PHE H H 279 8.554 7.330 1.224 1 1 604 . 18 1 1 A 66 66 PHE HA H 279 4.462 5.009 -0.547 1 1 610 . 18 1 1 A 66 66 PHE C C 279 174.258 172.636 1.622 1 1 611 . 18 1 1 A 66 66 PHE CA C 279 58.032 55.791 2.241 1 1 612 . 18 1 1 A 66 66 PHE CB C 279 39.809 40.792 -0.983 1 1 616 . 18 1 1 A 66 66 PHE N N 279 117.992 114.121 3.871 1 1 617 . 18 1 1 A 67 67 GLU H H 280 8.403 8.346 0.057 1 1 618 . 18 1 1 A 67 67 GLU HA H 280 4.631 4.688 -0.057 1 1 621 . 18 1 1 A 67 67 GLU C C 280 174.640 175.935 -1.295 1 1 622 . 18 1 1 A 67 67 GLU CA C 280 55.467 56.155 -0.688 1 1 623 . 18 1 1 A 67 67 GLU CB C 280 30.671 30.593 0.078 1 1 625 . 18 1 1 A 67 67 GLU N N 280 120.980 119.344 1.636 1 1 626 . 18 1 1 A 68 68 ILE H H 281 8.988 8.539 0.449 1 1 627 . 18 1 1 A 68 68 ILE HA H 281 4.491 4.465 0.026 1 1 636 . 18 1 1 A 68 68 ILE C C 281 176.177 175.784 0.393 1 1 637 . 18 1 1 A 68 68 ILE CA C 281 59.688 61.604 -1.916 1 1 638 . 18 1 1 A 68 68 ILE CB C 281 35.090 38.010 -2.920 1 1 642 . 18 1 1 A 68 68 ILE N N 281 127.994 125.663 2.331 1 1 643 . 18 1 1 A 69 69 LYS H H 282 8.559 8.914 -0.355 1 1 644 . 18 1 1 A 69 69 LYS HA H 282 4.981 5.069 -0.088 1 1 645 . 18 1 1 A 69 69 LYS CA C 282 50.465 53.555 -3.090 1 1 646 . 18 1 1 A 69 69 LYS CB C 282 32.762 33.331 -0.569 1 1 649 . 18 1 1 A 69 69 LYS N N 282 126.350 126.950 -0.600 1 1 650 . 18 1 1 A 70 70 PRO HA H 283 5.133 5.032 0.101 1 1 651 . 18 1 1 A 70 70 PRO C C 283 176.378 175.278 1.100 1 1 652 . 18 1 1 A 70 70 PRO CA C 283 62.027 62.426 -0.399 1 1 653 . 18 1 1 A 70 70 PRO CB C 283 32.856 32.965 -0.109 1 1 655 . 18 1 1 A 71 71 HIS H H 284 8.967 8.065 0.902 1 1 656 . 18 1 1 A 71 71 HIS HA H 284 4.465 5.406 -0.941 1 1 660 . 18 1 1 A 71 71 HIS C C 284 172.714 173.406 -0.692 1 1 661 . 18 1 1 A 71 71 HIS CA C 284 55.994 54.557 1.437 1 1 662 . 18 1 1 A 71 71 HIS CB C 284 33.678 35.593 -1.915 1 1 664 . 18 1 1 A 71 71 HIS N N 284 121.708 117.738 3.970 1 1 665 . 18 1 1 A 72 72 ASP H H 285 8.625 9.034 -0.409 1 1 666 . 18 1 1 A 72 72 ASP HA H 285 5.695 5.264 0.431 1 1 669 . 18 1 1 A 72 72 ASP C C 285 175.881 174.070 1.811 1 1 670 . 18 1 1 A 72 72 ASP CA C 285 53.201 51.960 1.241 1 1 671 . 18 1 1 A 72 72 ASP CB C 285 43.758 44.776 -1.018 1 1 672 . 18 1 1 A 72 72 ASP N N 285 122.941 120.299 2.642 1 1 673 . 18 1 1 A 73 73 ASP H H 286 9.212 8.602 0.610 1 1 674 . 18 1 1 A 73 73 ASP HA H 286 4.263 4.663 -0.400 1 1 676 . 18 1 1 A 73 73 ASP C C 286 174.368 175.318 -0.950 1 1 677 . 18 1 1 A 73 73 ASP CA C 286 56.488 54.974 1.514 1 1 678 . 18 1 1 A 73 73 ASP CB C 286 39.083 41.277 -2.194 1 1 679 . 18 1 1 A 73 73 ASP N N 286 119.175 122.821 -3.646 1 1 680 . 18 1 1 A 74 74 CYS H H 287 8.750 8.717 0.033 1 1 681 . 18 1 1 A 74 74 CYS HA H 287 4.854 5.031 -0.177 1 1 684 . 18 1 1 A 74 74 CYS C C 287 176.146 173.854 2.292 1 1 685 . 18 1 1 A 74 74 CYS CA C 287 58.552 58.034 0.518 1 1 686 . 18 1 1 A 74 74 CYS CB C 287 53.204 30.922 22.282 1 1 687 . 18 1 1 A 74 74 CYS N N 287 119.631 124.690 -5.059 1 1 688 . 18 1 1 A 75 75 THR H H 288 8.535 8.699 -0.164 1 1 689 . 18 1 1 A 75 75 THR HA H 288 4.163 4.297 -0.134 1 1 694 . 18 1 1 A 75 75 THR C C 288 174.663 175.727 -1.064 1 1 695 . 18 1 1 A 75 75 THR CA C 288 61.353 63.003 -1.650 1 1 696 . 18 1 1 A 75 75 THR CB C 288 70.100 69.391 0.709 1 1 698 . 18 1 1 A 75 75 THR N N 288 115.998 120.987 -4.989 1 1 699 . 18 1 1 A 76 76 VAL H H 289 8.083 8.501 -0.418 1 1 700 . 18 1 1 A 76 76 VAL HA H 289 3.414 3.595 -0.181 1 1 708 . 18 1 1 A 76 76 VAL C C 289 176.443 176.380 0.063 1 1 709 . 18 1 1 A 76 76 VAL CA C 289 69.066 65.020 4.046 1 1 710 . 18 1 1 A 76 76 VAL CB C 289 30.361 31.318 -0.957 1 1 713 . 18 1 1 A 76 76 VAL N N 289 120.599 125.646 -5.047 1 1 714 . 18 1 1 A 77 77 GLU H H 290 9.095 8.033 1.062 1 1 715 . 18 1 1 A 77 77 GLU HA H 290 4.027 3.500 0.527 1 1 720 . 18 1 1 A 77 77 GLU C C 290 179.172 178.750 0.422 1 1 721 . 18 1 1 A 77 77 GLU CA C 290 59.831 59.038 0.793 1 1 722 . 18 1 1 A 77 77 GLU CB C 290 29.493 29.019 0.474 1 1 724 . 18 1 1 A 77 77 GLU N N 290 119.191 120.666 -1.475 1 1 725 . 18 1 1 A 78 78 GLN H H 291 7.523 7.663 -0.140 1 1 726 . 18 1 1 A 78 78 GLN HA H 291 4.079 4.085 -0.006 1 1 731 . 18 1 1 A 78 78 GLN C C 291 177.815 178.264 -0.449 1 1 732 . 18 1 1 A 78 78 GLN CA C 291 58.920 58.194 0.726 1 1 734 . 18 1 1 A 78 78 GLN N N 291 117.101 118.492 -1.391 1 1 735 . 18 1 1 A 79 79 ILE H H 292 8.368 7.889 0.479 1 1 736 . 18 1 1 A 79 79 ILE HA H 292 3.427 3.659 -0.232 1 1 746 . 18 1 1 A 79 79 ILE C C 292 177.133 178.046 -0.913 1 1 747 . 18 1 1 A 79 79 ILE CA C 292 67.132 64.742 2.390 1 1 748 . 18 1 1 A 79 79 ILE CB C 292 37.163 37.223 -0.060 1 1 752 . 18 1 1 A 79 79 ILE N N 292 120.006 119.975 0.031 1 1 753 . 18 1 1 A 80 80 TYR H H 293 8.302 7.412 0.890 1 1 754 . 18 1 1 A 80 80 TYR HA H 293 4.179 4.345 -0.166 1 1 759 . 18 1 1 A 80 80 TYR C C 293 178.907 178.610 0.297 1 1 760 . 18 1 1 A 80 80 TYR CA C 293 61.737 60.621 1.116 1 1 761 . 18 1 1 A 80 80 TYR CB C 293 37.201 37.760 -0.559 1 1 764 . 18 1 1 A 80 80 TYR N N 293 116.291 120.662 -4.371 1 1 765 . 18 1 1 A 81 81 GLU H H 294 8.170 8.656 -0.486 1 1 766 . 18 1 1 A 81 81 GLU HA H 294 4.036 4.055 -0.019 1 1 771 . 18 1 1 A 81 81 GLU C C 294 178.414 178.500 -0.086 1 1 772 . 18 1 1 A 81 81 GLU CA C 294 59.768 59.275 0.493 1 1 773 . 18 1 1 A 81 81 GLU CB C 294 29.489 28.746 0.743 1 1 775 . 18 1 1 A 81 81 GLU N N 294 120.325 117.408 2.917 1 1 776 . 18 1 1 A 82 82 ILE H H 295 8.501 7.802 0.699 1 1 777 . 18 1 1 A 82 82 ILE HA H 295 3.675 3.588 0.087 1 1 787 . 18 1 1 A 82 82 ILE C C 295 177.751 178.043 -0.292 1 1 788 . 18 1 1 A 82 82 ILE CA C 295 65.288 64.410 0.878 1 1 789 . 18 1 1 A 82 82 ILE CB C 295 38.497 36.880 1.617 1 1 793 . 18 1 1 A 82 82 ILE N N 295 120.434 121.156 -0.722 1 1 794 . 18 1 1 A 83 83 LEU H H 296 8.508 7.800 0.708 1 1 795 . 18 1 1 A 83 83 LEU HA H 296 4.289 3.721 0.568 1 1 805 . 18 1 1 A 83 83 LEU C C 296 178.393 178.638 -0.245 1 1 806 . 18 1 1 A 83 83 LEU CA C 296 58.937 57.065 1.872 1 1 807 . 18 1 1 A 83 83 LEU CB C 296 39.626 40.947 -1.321 1 1 811 . 18 1 1 A 83 83 LEU N N 296 116.807 121.094 -4.287 1 1 812 . 18 1 1 A 84 84 LYS H H 297 8.048 7.597 0.451 1 1 813 . 18 1 1 A 84 84 LYS HA H 297 3.967 4.016 -0.049 1 1 820 . 18 1 1 A 84 84 LYS C C 297 177.773 178.892 -1.119 1 1 821 . 18 1 1 A 84 84 LYS CA C 297 58.890 58.934 -0.044 1 1 822 . 18 1 1 A 84 84 LYS CB C 297 31.169 32.504 -1.335 1 1 826 . 18 1 1 A 84 84 LYS N N 297 118.687 118.492 0.195 1 1 827 . 18 1 1 A 85 85 ILE H H 298 7.694 7.659 0.035 1 1 828 . 18 1 1 A 85 85 ILE HA H 298 3.456 3.731 -0.275 1 1 838 . 18 1 1 A 85 85 ILE C C 298 179.100 177.753 1.347 1 1 839 . 18 1 1 A 85 85 ILE CA C 298 65.307 64.911 0.396 1 1 840 . 18 1 1 A 85 85 ILE CB C 298 36.965 37.258 -0.293 1 1 844 . 18 1 1 A 85 85 ILE N N 298 118.157 120.851 -2.694 1 1 845 . 18 1 1 A 86 86 TYR H H 299 7.613 7.785 -0.172 1 1 846 . 18 1 1 A 86 86 TYR HA H 299 4.103 4.483 -0.380 1 1 851 . 18 1 1 A 86 86 TYR C C 299 177.425 178.185 -0.760 1 1 852 . 18 1 1 A 86 86 TYR CA C 299 63.129 60.380 2.749 1 1 853 . 18 1 1 A 86 86 TYR CB C 299 38.745 37.818 0.927 1 1 856 . 18 1 1 A 86 86 TYR N N 299 115.499 120.232 -4.733 1 1 857 . 18 1 1 A 87 87 GLN H H 300 9.112 8.287 0.825 1 1 858 . 18 1 1 A 87 87 GLN HA H 300 3.977 4.161 -0.184 1 1 861 . 18 1 1 A 87 87 GLN C C 300 176.380 177.553 -1.173 1 1 862 . 18 1 1 A 87 87 GLN CA C 300 58.976 58.038 0.938 1 1 863 . 18 1 1 A 87 87 GLN CB C 300 28.819 28.773 0.046 1 1 865 . 18 1 1 A 87 87 GLN N N 300 125.039 117.326 7.713 1 1 866 . 18 1 1 A 88 88 LEU H H 301 7.536 7.968 -0.432 1 1 867 . 18 1 1 A 88 88 LEU HA H 301 4.309 4.120 0.189 1 1 877 . 18 1 1 A 88 88 LEU C C 301 177.129 179.144 -2.015 1 1 878 . 18 1 1 A 88 88 LEU CA C 301 55.142 56.888 -1.746 1 1 879 . 18 1 1 A 88 88 LEU CB C 301 41.809 41.442 0.367 1 1 883 . 18 1 1 A 88 88 LEU N N 301 115.623 121.209 -5.586 1 1 884 . 18 1 1 A 89 89 MET H H 302 7.025 8.141 -1.116 1 1 885 . 18 1 1 A 89 89 MET HA H 302 4.031 4.040 -0.009 1 1 893 . 18 1 1 A 89 89 MET C C 302 172.664 175.786 -3.122 1 1 894 . 18 1 1 A 89 89 MET CA C 302 55.513 58.977 -3.464 1 1 895 . 18 1 1 A 89 89 MET CB C 302 33.748 32.586 1.162 1 1 898 . 18 1 1 A 89 89 MET N N 302 120.789 117.977 2.812 1 1 899 . 18 1 1 A 90 90 ASP H H 303 8.056 8.017 0.039 1 1 900 . 18 1 1 A 90 90 ASP HA H 303 4.746 4.212 0.534 1 1 903 . 18 1 1 A 90 90 ASP C C 303 177.139 174.913 2.226 1 1 904 . 18 1 1 A 90 90 ASP CA C 303 54.411 54.781 -0.370 1 1 905 . 18 1 1 A 90 90 ASP CB C 303 40.987 39.157 1.830 1 1 906 . 18 1 1 A 90 90 ASP N N 303 117.873 118.968 -1.095 1 1 907 . 18 1 1 A 91 91 HIS H H 304 9.371 7.911 1.460 1 1 908 . 18 1 1 A 91 91 HIS HA H 304 4.657 4.736 -0.079 1 1 912 . 18 1 1 A 91 91 HIS C C 304 177.332 174.465 2.867 1 1 913 . 18 1 1 A 91 91 HIS CA C 304 56.031 56.318 -0.287 1 1 914 . 18 1 1 A 91 91 HIS CB C 304 31.150 31.180 -0.030 1 1 916 . 18 1 1 A 91 91 HIS N N 304 126.666 118.401 8.265 1 1 917 . 18 1 1 A 92 92 SER H H 305 8.952 8.703 0.249 1 1 918 . 18 1 1 A 92 92 SER HA H 305 4.055 4.687 -0.632 1 1 921 . 18 1 1 A 92 92 SER CA C 305 63.687 55.901 7.786 1 1 922 . 18 1 1 A 92 92 SER CB C 305 62.694 65.459 -2.765 1 1 923 . 18 1 1 A 92 92 SER N N 305 118.610 114.902 3.708 1 1 924 . 18 1 1 A 93 93 ASN H H 306 8.745 8.465 0.280 1 1 925 . 18 1 1 A 93 93 ASN HA H 306 4.803 4.568 0.235 1 1 928 . 18 1 1 A 93 93 ASN C C 306 173.428 174.147 -0.719 1 1 929 . 18 1 1 A 93 93 ASN CA C 306 53.018 53.766 -0.748 1 1 930 . 18 1 1 A 93 93 ASN CB C 306 38.033 38.725 -0.692 1 1 931 . 18 1 1 A 93 93 ASN N N 306 116.257 120.763 -4.506 1 1 932 . 18 1 1 A 94 94 MET H H 307 7.942 8.725 -0.783 1 1 933 . 18 1 1 A 94 94 MET HA H 307 4.683 4.939 -0.256 1 1 939 . 18 1 1 A 94 94 MET C C 307 174.640 176.598 -1.958 1 1 940 . 18 1 1 A 94 94 MET CA C 307 53.564 53.491 0.073 1 1 941 . 18 1 1 A 94 94 MET CB C 307 33.988 37.148 -3.160 1 1 944 . 18 1 1 A 94 94 MET N N 307 117.799 125.356 -7.557 1 1 945 . 18 1 1 A 95 95 ASP H H 308 8.276 8.767 -0.491 1 1 946 . 18 1 1 A 95 95 ASP HA H 308 5.172 4.337 0.835 1 1 949 . 18 1 1 A 95 95 ASP C C 308 176.264 176.139 0.125 1 1 950 . 18 1 1 A 95 95 ASP CA C 308 55.617 56.783 -1.166 1 1 951 . 18 1 1 A 95 95 ASP CB C 308 45.114 40.138 4.976 1 1 952 . 18 1 1 A 95 95 ASP N N 308 119.567 119.576 -0.009 1 1 953 . 18 1 1 A 96 96 CYS H H 309 8.215 7.386 0.829 1 1 954 . 18 1 1 A 96 96 CYS HA H 309 4.680 4.444 0.236 1 1 957 . 18 1 1 A 96 96 CYS C C 309 170.157 172.879 -2.722 1 1 958 . 18 1 1 A 96 96 CYS CA C 309 57.203 56.438 0.765 1 1 959 . 18 1 1 A 96 96 CYS CB C 309 52.974 29.595 23.379 1 1 960 . 18 1 1 A 96 96 CYS N N 309 118.264 114.912 3.352 1 1 961 . 18 1 1 A 97 97 PHE H H 310 8.108 8.796 -0.688 1 1 962 . 18 1 1 A 97 97 PHE HA H 310 5.071 4.811 0.260 1 1 967 . 18 1 1 A 97 97 PHE C C 310 171.279 173.239 -1.960 1 1 968 . 18 1 1 A 97 97 PHE CA C 310 57.910 57.659 0.251 1 1 969 . 18 1 1 A 97 97 PHE CB C 310 44.724 42.445 2.279 1 1 972 . 18 1 1 A 97 97 PHE N N 310 125.767 120.767 5.000 1 1 973 . 18 1 1 A 98 98 ILE H H 311 7.647 8.145 -0.498 1 1 974 . 18 1 1 A 98 98 ILE HA H 311 4.581 4.788 -0.207 1 1 984 . 18 1 1 A 98 98 ILE C C 311 172.012 174.574 -2.562 1 1 985 . 18 1 1 A 98 98 ILE CA C 311 58.312 59.514 -1.202 1 1 986 . 18 1 1 A 98 98 ILE CB C 311 39.964 41.798 -1.834 1 1 990 . 18 1 1 A 98 98 ILE N N 311 125.102 125.803 -0.701 1 1 991 . 18 1 1 A 99 99 CYS H H 312 8.309 8.944 -0.635 1 1 992 . 18 1 1 A 99 99 CYS HA H 312 4.471 4.871 -0.400 1 1 993 . 18 1 1 A 99 99 CYS C C 312 171.965 174.210 -2.245 1 1 994 . 18 1 1 A 99 99 CYS CA C 312 56.347 57.642 -1.295 1 1 995 . 18 1 1 A 99 99 CYS CB C 312 51.093 27.014 24.079 1 1 996 . 18 1 1 A 99 99 CYS N N 312 124.548 125.256 -0.708 1 1 997 . 18 1 1 A 100 100 CYS H H 313 9.116 8.352 0.764 1 1 998 . 18 1 1 A 100 100 CYS HA H 313 5.880 4.545 1.335 1 1 1001 . 18 1 1 A 100 100 CYS C C 313 173.635 174.554 -0.919 1 1 1002 . 18 1 1 A 100 100 CYS CA C 313 55.906 60.110 -4.204 1 1 1003 . 18 1 1 A 100 100 CYS CB C 313 52.685 28.113 24.572 1 1 1004 . 18 1 1 A 100 100 CYS N N 313 127.015 124.756 2.259 1 1 1005 . 18 1 1 A 101 101 ILE H H 314 8.896 8.807 0.089 1 1 1006 . 18 1 1 A 101 101 ILE HA H 314 4.737 4.642 0.095 1 1 1016 . 18 1 1 A 101 101 ILE C C 314 172.277 176.377 -4.100 1 1 1017 . 18 1 1 A 101 101 ILE CA C 314 60.937 60.209 0.728 1 1 1018 . 18 1 1 A 101 101 ILE CB C 314 40.848 41.176 -0.328 1 1 1022 . 18 1 1 A 101 101 ILE N N 314 121.994 125.566 -3.572 1 1 1023 . 18 1 1 A 102 102 LEU H H 315 8.951 8.618 0.333 1 1 1024 . 18 1 1 A 102 102 LEU HA H 315 5.285 4.303 0.982 1 1 1029 . 18 1 1 A 102 102 LEU C C 315 174.789 176.226 -1.437 1 1 1030 . 18 1 1 A 102 102 LEU CA C 315 52.489 53.863 -1.374 1 1 1031 . 18 1 1 A 102 102 LEU CB C 315 40.041 43.745 -3.704 1 1 1034 . 18 1 1 A 102 102 LEU N N 315 127.404 126.803 0.601 1 1 1035 . 18 1 1 A 103 103 SER H H 316 9.096 8.429 0.667 1 1 1036 . 18 1 1 A 103 103 SER HA H 316 4.680 5.110 -0.430 1 1 1039 . 18 1 1 A 103 103 SER C C 316 174.555 173.244 1.311 1 1 1040 . 18 1 1 A 103 103 SER CA C 316 56.403 56.274 0.129 1 1 1041 . 18 1 1 A 103 103 SER CB C 316 63.224 66.055 -2.831 1 1 1042 . 18 1 1 A 103 103 SER N N 316 113.273 111.443 1.830 1 1 1043 . 18 1 1 A 104 104 HIS H H 317 7.515 8.577 -1.062 1 1 1044 . 18 1 1 A 104 104 HIS HA H 317 5.214 4.971 0.243 1 1 1048 . 18 1 1 A 104 104 HIS C C 317 175.667 175.494 0.173 1 1 1049 . 18 1 1 A 104 104 HIS CA C 317 56.371 54.959 1.412 1 1 1050 . 18 1 1 A 104 104 HIS CB C 317 34.676 31.748 2.928 1 1 1052 . 18 1 1 A 104 104 HIS N N 317 114.740 117.177 -2.437 1 1 1053 . 18 1 1 A 105 105 GLY H H 318 8.368 8.846 -0.478 1 1 1054 . 18 1 1 A 105 105 GLY C C 318 169.470 172.934 -3.464 1 1 1055 . 18 1 1 A 105 105 GLY CA C 318 45.558 47.392 -1.834 1 1 1056 . 18 1 1 A 105 105 GLY N N 318 107.330 109.997 -2.667 1 1 1057 . 18 1 1 A 106 106 ASP H H 319 7.943 8.360 -0.417 1 1 1058 . 18 1 1 A 106 106 ASP HA H 319 4.622 5.105 -0.483 1 1 1061 . 18 1 1 A 106 106 ASP C C 319 175.179 174.525 0.654 1 1 1062 . 18 1 1 A 106 106 ASP CA C 319 53.188 53.005 0.183 1 1 1063 . 18 1 1 A 106 106 ASP CB C 319 43.555 44.044 -0.489 1 1 1064 . 18 1 1 A 106 106 ASP N N 319 116.893 124.643 -7.750 1 1 1065 . 18 1 1 A 107 107 LYS H H 320 9.376 8.466 0.910 1 1 1066 . 18 1 1 A 107 107 LYS HA H 320 3.956 4.510 -0.554 1 1 1075 . 18 1 1 A 107 107 LYS C C 320 176.864 177.095 -0.231 1 1 1076 . 18 1 1 A 107 107 LYS CA C 320 58.567 56.653 1.914 1 1 1077 . 18 1 1 A 107 107 LYS CB C 320 30.568 32.651 -2.083 1 1 1081 . 18 1 1 A 107 107 LYS N N 320 122.539 121.674 0.865 1 1 1082 . 18 1 1 A 108 108 GLY H H 321 9.025 7.930 1.095 1 1 1083 . 18 1 1 A 108 108 GLY C C 321 173.633 173.589 0.044 1 1 1084 . 18 1 1 A 108 108 GLY CA C 321 45.491 45.461 0.030 1 1 1085 . 18 1 1 A 108 108 GLY N N 321 111.919 106.836 5.083 1 1 1086 . 18 1 1 A 109 109 ILE H H 322 8.157 7.407 0.750 1 1 1087 . 18 1 1 A 109 109 ILE HA H 322 4.994 4.391 0.603 1 1 1097 . 18 1 1 A 109 109 ILE C C 322 174.524 175.317 -0.793 1 1 1098 . 18 1 1 A 109 109 ILE CA C 322 59.009 60.240 -1.231 1 1 1099 . 18 1 1 A 109 109 ILE CB C 322 43.375 38.724 4.651 1 1 1103 . 18 1 1 A 109 109 ILE N N 322 116.465 119.830 -3.365 1 1 1104 . 18 1 1 A 110 110 ILE H H 323 8.443 8.109 0.334 1 1 1105 . 18 1 1 A 110 110 ILE HA H 323 4.530 3.859 0.671 1 1 1115 . 18 1 1 A 110 110 ILE C C 323 174.337 174.271 0.066 1 1 1116 . 18 1 1 A 110 110 ILE CA C 323 58.547 61.486 -2.939 1 1 1117 . 18 1 1 A 110 110 ILE CB C 323 41.604 38.950 2.654 1 1 1121 . 18 1 1 A 110 110 ILE N N 323 116.661 124.490 -7.829 1 1 1122 . 18 1 1 A 111 111 TYR H H 324 8.584 8.718 -0.134 1 1 1123 . 18 1 1 A 111 111 TYR HA H 324 5.557 5.399 0.158 1 1 1128 . 18 1 1 A 111 111 TYR C C 324 178.528 175.383 3.145 1 1 1129 . 18 1 1 A 111 111 TYR CA C 324 56.571 55.824 0.747 1 1 1130 . 18 1 1 A 111 111 TYR CB C 324 39.984 41.785 -1.801 1 1 1133 . 18 1 1 A 111 111 TYR N N 324 119.472 126.992 -7.520 1 1 1134 . 18 1 1 A 112 112 GLY H H 325 8.522 8.376 0.146 1 1 1135 . 18 1 1 A 112 112 GLY C C 325 174.755 174.827 -0.072 1 1 1136 . 18 1 1 A 112 112 GLY CA C 325 43.145 45.573 -2.428 1 1 1137 . 18 1 1 A 112 112 GLY N N 325 107.078 110.824 -3.746 1 1 1138 . 18 1 1 A 113 113 THR H H 326 8.245 8.298 -0.053 1 1 1139 . 18 1 1 A 113 113 THR HA H 326 3.186 3.836 -0.650 1 1 1144 . 18 1 1 A 113 113 THR C C 326 173.264 173.695 -0.431 1 1 1145 . 18 1 1 A 113 113 THR CA C 326 64.857 62.905 1.952 1 1 1146 . 18 1 1 A 113 113 THR CB C 326 66.749 66.600 0.149 1 1 1148 . 18 1 1 A 113 113 THR N N 326 113.146 109.811 3.335 1 1 1149 . 18 1 1 A 114 114 ASP H H 327 8.801 8.325 0.476 1 1 1150 . 18 1 1 A 114 114 ASP HA H 327 4.099 4.778 -0.679 1 1 1153 . 18 1 1 A 114 114 ASP C C 327 176.262 177.483 -1.221 1 1 1154 . 18 1 1 A 114 114 ASP CA C 327 52.768 53.895 -1.127 1 1 1155 . 18 1 1 A 114 114 ASP CB C 327 39.312 42.495 -3.183 1 1 1156 . 18 1 1 A 114 114 ASP N N 327 112.026 117.949 -5.923 1 1 1157 . 18 1 1 A 115 115 GLY H H 328 8.462 7.632 0.830 1 1 1158 . 18 1 1 A 115 115 GLY HA2 H 328 4.010 4.023 -0.013 1 1 1159 . 18 1 1 A 115 115 GLY HA3 H 328 4.010 4.035 -0.025 1 1 1160 . 18 1 1 A 115 115 GLY C C 328 171.918 173.513 -1.595 1 1 1161 . 18 1 1 A 115 115 GLY CA C 328 45.463 45.595 -0.132 1 1 1162 . 18 1 1 A 115 115 GLY N N 328 107.749 107.041 0.708 1 1 1163 . 18 1 1 A 116 116 GLN H H 329 6.657 7.801 -1.144 1 1 1164 . 18 1 1 A 116 116 GLN HA H 329 4.441 4.318 0.123 1 1 1170 . 18 1 1 A 116 116 GLN C C 329 174.196 173.564 0.632 1 1 1171 . 18 1 1 A 116 116 GLN CA C 329 55.204 54.119 1.085 1 1 1172 . 18 1 1 A 116 116 GLN CB C 329 28.541 30.678 -2.137 1 1 1174 . 18 1 1 A 116 116 GLN N N 329 115.146 114.495 0.651 1 1 1176 . 18 1 1 A 117 117 GLU H H 330 8.624 8.589 0.035 1 1 1177 . 18 1 1 A 117 117 GLU HA H 330 4.733 3.544 1.189 1 1 1178 . 18 1 1 A 117 117 GLU C C 330 175.357 174.539 0.818 1 1 1179 . 18 1 1 A 117 117 GLU CA C 330 55.191 55.446 -0.255 1 1 1180 . 18 1 1 A 117 117 GLU CB C 330 32.586 32.750 -0.164 1 1 1182 . 18 1 1 A 117 117 GLU N N 330 119.031 119.070 -0.039 1 1 1183 . 18 1 1 A 118 118 ALA H H 331 8.995 7.770 1.225 1 1 1184 . 18 1 1 A 118 118 ALA HA H 331 5.165 3.826 1.339 1 1 1188 . 18 1 1 A 118 118 ALA C C 331 173.650 176.470 -2.820 1 1 1189 . 18 1 1 A 118 118 ALA CA C 331 48.343 52.774 -4.431 1 1 1190 . 18 1 1 A 118 118 ALA CB C 331 20.353 18.004 2.349 1 1 1191 . 18 1 1 A 118 118 ALA N N 331 123.550 124.120 -0.570 1 1 1192 . 18 1 1 A 119 119 PRO HA H 332 4.819 4.560 0.259 1 1 1193 . 18 1 1 A 119 119 PRO C C 332 177.819 177.665 0.154 1 1 1194 . 18 1 1 A 119 119 PRO CA C 332 62.007 62.738 -0.731 1 1 1195 . 18 1 1 A 119 119 PRO CB C 332 32.081 32.576 -0.495 1 1 1197 . 18 1 1 A 120 120 ILE H H 333 8.574 8.453 0.121 1 1 1198 . 18 1 1 A 120 120 ILE HA H 333 3.278 3.807 -0.529 1 1 1206 . 18 1 1 A 120 120 ILE C C 333 177.316 177.949 -0.633 1 1 1207 . 18 1 1 A 120 120 ILE CA C 333 66.025 64.291 1.734 1 1 1208 . 18 1 1 A 120 120 ILE CB C 333 37.991 37.653 0.338 1 1 1212 . 18 1 1 A 120 120 ILE N N 333 126.740 123.211 3.529 1 1 1213 . 18 1 1 A 121 121 TYR H H 334 9.192 8.098 1.094 1 1 1214 . 18 1 1 A 121 121 TYR HA H 334 3.942 4.259 -0.317 1 1 1219 . 18 1 1 A 121 121 TYR C C 334 177.847 178.440 -0.593 1 1 1220 . 18 1 1 A 121 121 TYR CA C 334 60.688 61.398 -0.710 1 1 1221 . 18 1 1 A 121 121 TYR CB C 334 38.803 37.542 1.261 1 1 1224 . 18 1 1 A 121 121 TYR N N 334 117.479 121.040 -3.561 1 1 1225 . 18 1 1 A 122 122 GLU H H 335 7.178 8.202 -1.024 1 1 1226 . 18 1 1 A 122 122 GLU HA H 335 3.751 4.268 -0.517 1 1 1228 . 18 1 1 A 122 122 GLU C C 335 176.427 179.009 -2.582 1 1 1229 . 18 1 1 A 122 122 GLU CA C 335 58.378 58.889 -0.511 1 1 1230 . 18 1 1 A 122 122 GLU CB C 335 29.477 30.012 -0.535 1 1 1232 . 18 1 1 A 122 122 GLU N N 335 115.885 120.995 -5.110 1 1 1233 . 18 1 1 A 123 123 LEU H H 336 7.440 7.982 -0.542 1 1 1234 . 18 1 1 A 123 123 LEU HA H 336 4.123 4.108 0.015 1 1 1244 . 18 1 1 A 123 123 LEU C C 336 177.925 179.810 -1.885 1 1 1245 . 18 1 1 A 123 123 LEU CA C 336 56.646 58.170 -1.524 1 1 1246 . 18 1 1 A 123 123 LEU CB C 336 40.661 42.340 -1.679 1 1 1250 . 18 1 1 A 123 123 LEU N N 336 115.934 120.731 -4.797 1 1 1251 . 18 1 1 A 124 124 THR H H 337 8.009 8.451 -0.442 1 1 1252 . 18 1 1 A 124 124 THR HA H 337 3.597 4.214 -0.617 1 1 1257 . 18 1 1 A 124 124 THR C C 337 177.568 176.967 0.601 1 1 1258 . 18 1 1 A 124 124 THR CA C 337 64.110 64.614 -0.504 1 1 1259 . 18 1 1 A 124 124 THR CB C 337 67.603 68.538 -0.935 1 1 1261 . 18 1 1 A 124 124 THR N N 337 107.827 110.458 -2.631 1 1 1262 . 18 1 1 A 125 125 SER H H 338 7.435 8.217 -0.782 1 1 1263 . 18 1 1 A 125 125 SER HA H 338 3.723 4.357 -0.634 1 1 1266 . 18 1 1 A 125 125 SER C C 338 174.040 175.615 -1.575 1 1 1267 . 18 1 1 A 125 125 SER CA C 338 60.514 60.831 -0.317 1 1 1268 . 18 1 1 A 125 125 SER CB C 338 62.391 62.936 -0.545 1 1 1269 . 18 1 1 A 125 125 SER N N 338 112.670 117.488 -4.818 1 1 1270 . 18 1 1 A 126 126 GLN H H 339 7.071 7.828 -0.757 1 1 1271 . 18 1 1 A 126 126 GLN HA H 339 3.850 4.232 -0.382 1 1 1276 . 18 1 1 A 126 126 GLN C C 339 173.915 177.011 -3.096 1 1 1277 . 18 1 1 A 126 126 GLN CA C 339 56.106 56.075 0.031 1 1 1278 . 18 1 1 A 126 126 GLN CB C 339 27.028 28.466 -1.438 1 1 1280 . 18 1 1 A 126 126 GLN N N 339 117.347 118.693 -1.346 1 1 1281 . 18 1 1 A 127 127 PHE H H 340 7.355 8.498 -1.143 1 1 1282 . 18 1 1 A 127 127 PHE HA H 340 4.515 4.693 -0.178 1 1 1285 . 18 1 1 A 127 127 PHE C C 340 175.241 175.872 -0.631 1 1 1286 . 18 1 1 A 127 127 PHE CA C 340 57.914 58.016 -0.102 1 1 1287 . 18 1 1 A 127 127 PHE CB C 340 38.496 38.840 -0.344 1 1 1288 . 18 1 1 A 127 127 PHE N N 340 110.412 116.058 -5.646 1 1 1289 . 18 1 1 A 128 128 THR H H 341 6.785 7.586 -0.801 1 1 1290 . 18 1 1 A 128 128 THR HA H 341 4.294 4.265 0.029 1 1 1295 . 18 1 1 A 128 128 THR C C 341 174.727 176.441 -1.714 1 1 1296 . 18 1 1 A 128 128 THR CA C 341 62.016 64.153 -2.137 1 1 1297 . 18 1 1 A 128 128 THR CB C 341 69.757 69.533 0.224 1 1 1299 . 18 1 1 A 128 128 THR N N 341 107.455 115.497 -8.042 1 1 1300 . 18 1 1 A 129 129 GLY H H 342 10.506 8.832 1.674 1 1 1301 . 18 1 1 A 129 129 GLY HA2 H 342 3.841 3.881 -0.040 1 1 1302 . 18 1 1 A 129 129 GLY HA3 H 342 3.648 3.881 -0.233 1 1 1303 . 18 1 1 A 129 129 GLY C C 342 175.631 174.658 0.973 1 1 1304 . 18 1 1 A 129 129 GLY CA C 342 47.056 46.719 0.337 1 1 1305 . 18 1 1 A 129 129 GLY N N 342 111.023 114.051 -3.028 1 1 1306 . 18 1 1 A 130 130 LEU H H 343 8.003 7.913 0.090 1 1 1307 . 18 1 1 A 130 130 LEU HA H 343 4.135 4.370 -0.235 1 1 1317 . 18 1 1 A 130 130 LEU C C 343 178.627 177.519 1.108 1 1 1318 . 18 1 1 A 130 130 LEU CA C 343 56.606 55.082 1.524 1 1 1319 . 18 1 1 A 130 130 LEU CB C 343 42.399 42.490 -0.091 1 1 1323 . 18 1 1 A 130 130 LEU N N 343 116.983 119.740 -2.757 1 1 1324 . 18 1 1 A 131 131 LYS H H 344 6.961 7.940 -0.979 1 1 1325 . 18 1 1 A 131 131 LYS HA H 344 4.001 4.456 -0.455 1 1 1333 . 18 1 1 A 131 131 LYS C C 344 176.224 176.501 -0.277 1 1 1334 . 18 1 1 A 131 131 LYS CA C 344 57.534 55.969 1.565 1 1 1335 . 18 1 1 A 131 131 LYS CB C 344 33.404 34.594 -1.190 1 1 1339 . 18 1 1 A 131 131 LYS N N 344 116.907 115.969 0.938 1 1 1340 . 18 1 1 A 132 132 CYS H H 345 8.564 8.236 0.328 1 1 1341 . 18 1 1 A 132 132 CYS HA H 345 4.930 4.830 0.100 1 1 1344 . 18 1 1 A 132 132 CYS C C 345 172.261 172.779 -0.518 1 1 1345 . 18 1 1 A 132 132 CYS CA C 345 56.566 56.759 -0.193 1 1 1346 . 18 1 1 A 132 132 CYS CB C 345 49.011 27.674 21.337 1 1 1347 . 18 1 1 A 132 132 CYS N N 345 117.718 118.215 -0.497 1 1 1348 . 18 1 1 A 133 133 PRO HA H 346 4.719 4.462 0.257 1 1 1354 . 18 1 1 A 133 133 PRO C C 346 179.500 177.318 2.182 1 1 1355 . 18 1 1 A 133 133 PRO CA C 346 62.681 64.072 -1.391 1 1 1356 . 18 1 1 A 133 133 PRO CB C 346 34.366 31.812 2.554 1 1 1359 . 18 1 1 A 134 134 SER H H 347 8.896 7.685 1.211 1 1 1360 . 18 1 1 A 134 134 SER HA H 347 4.415 4.380 0.035 1 1 1363 . 18 1 1 A 134 134 SER C C 347 174.434 174.628 -0.194 1 1 1364 . 18 1 1 A 134 134 SER CA C 347 60.509 58.505 2.004 1 1 1365 . 18 1 1 A 134 134 SER CB C 347 62.207 62.193 0.014 1 1 1366 . 18 1 1 A 134 134 SER N N 347 112.882 110.747 2.135 1 1 1367 . 18 1 1 A 135 135 LEU H H 348 7.549 8.867 -1.318 1 1 1368 . 18 1 1 A 135 135 LEU HA H 348 4.466 4.036 0.430 1 1 1378 . 18 1 1 A 135 135 LEU C C 348 176.458 176.686 -0.228 1 1 1379 . 18 1 1 A 135 135 LEU CA C 348 53.787 56.290 -2.503 1 1 1380 . 18 1 1 A 135 135 LEU CB C 348 44.189 39.577 4.612 1 1 1384 . 18 1 1 A 135 135 LEU N N 348 118.501 116.837 1.664 1 1 1385 . 18 1 1 A 136 136 ALA H H 349 7.776 7.875 -0.099 1 1 1386 . 18 1 1 A 136 136 ALA HA H 349 4.056 4.165 -0.109 1 1 1390 . 18 1 1 A 136 136 ALA C C 349 178.620 179.402 -0.782 1 1 1391 . 18 1 1 A 136 136 ALA CA C 349 54.406 55.183 -0.777 1 1 1392 . 18 1 1 A 136 136 ALA CB C 349 17.934 18.409 -0.475 1 1 1393 . 18 1 1 A 136 136 ALA N N 349 125.801 121.095 4.706 1 1 1394 . 18 1 1 A 137 137 GLY H H 350 9.371 8.163 1.208 1 1 1395 . 18 1 1 A 137 137 GLY C C 350 173.026 173.936 -0.910 1 1 1396 . 18 1 1 A 137 137 GLY CA C 350 45.132 45.288 -0.156 1 1 1397 . 18 1 1 A 137 137 GLY N N 350 111.181 105.657 5.524 1 1 1398 . 18 1 1 A 138 138 LYS H H 351 8.038 7.419 0.619 1 1 1399 . 18 1 1 A 138 138 LYS HA H 351 4.660 4.674 -0.014 1 1 1400 . 18 1 1 A 138 138 LYS C C 351 172.078 173.942 -1.864 1 1 1401 . 18 1 1 A 138 138 LYS CA C 351 52.728 53.169 -0.441 1 1 1402 . 18 1 1 A 138 138 LYS CB C 351 32.069 33.253 -1.184 1 1 1404 . 18 1 1 A 138 138 LYS N N 351 119.821 119.923 -0.102 1 1 1405 . 18 1 1 A 139 139 PRO HA H 352 4.300 4.401 -0.101 1 1 1412 . 18 1 1 A 139 139 PRO C C 352 173.954 176.032 -2.078 1 1 1413 . 18 1 1 A 139 139 PRO CA C 352 62.595 62.669 -0.074 1 1 1414 . 18 1 1 A 139 139 PRO CB C 352 31.399 31.651 -0.252 1 1 1417 . 18 1 1 A 140 140 LYS H H 353 8.188 7.998 0.190 1 1 1418 . 18 1 1 A 140 140 LYS HA H 353 4.610 4.938 -0.328 1 1 1419 . 18 1 1 A 140 140 LYS C C 353 173.494 175.358 -1.864 1 1 1420 . 18 1 1 A 140 140 LYS CA C 353 55.344 54.398 0.946 1 1 1421 . 18 1 1 A 140 140 LYS CB C 353 32.527 36.928 -4.401 1 1 1423 . 18 1 1 A 140 140 LYS N N 353 123.304 122.277 1.027 1 1 1424 . 18 1 1 A 141 141 VAL H H 354 8.344 8.740 -0.396 1 1 1425 . 18 1 1 A 141 141 VAL HA H 354 4.533 5.323 -0.790 1 1 1433 . 18 1 1 A 141 141 VAL C C 354 172.277 174.311 -2.034 1 1 1434 . 18 1 1 A 141 141 VAL CA C 354 60.596 60.407 0.189 1 1 1435 . 18 1 1 A 141 141 VAL CB C 354 33.580 35.758 -2.178 1 1 1438 . 18 1 1 A 141 141 VAL N N 354 122.550 120.757 1.793 1 1 1439 . 18 1 1 A 142 142 PHE H H 355 8.985 8.331 0.654 1 1 1440 . 18 1 1 A 142 142 PHE HA H 355 5.436 5.058 0.378 1 1 1441 . 18 1 1 A 142 142 PHE C C 355 173.666 172.524 1.142 1 1 1442 . 18 1 1 A 142 142 PHE CA C 355 54.968 55.904 -0.936 1 1 1443 . 18 1 1 A 142 142 PHE CB C 355 42.877 41.600 1.277 1 1 1444 . 18 1 1 A 142 142 PHE N N 355 123.850 121.030 2.820 1 1 1445 . 18 1 1 A 143 143 PHE H H 356 8.584 8.755 -0.171 1 1 1446 . 18 1 1 A 143 143 PHE HA H 356 5.934 4.798 1.136 1 1 1449 . 18 1 1 A 143 143 PHE C C 356 174.526 175.226 -0.700 1 1 1450 . 18 1 1 A 143 143 PHE CA C 356 55.909 57.711 -1.802 1 1 1451 . 18 1 1 A 143 143 PHE CB C 356 39.923 40.588 -0.665 1 1 1454 . 18 1 1 A 143 143 PHE N N 356 119.801 120.529 -0.728 1 1 1455 . 18 1 1 A 144 144 ILE H H 357 9.020 8.920 0.100 1 1 1456 . 18 1 1 A 144 144 ILE HA H 357 5.040 5.039 0.001 1 1 1466 . 18 1 1 A 144 144 ILE C C 357 173.323 173.228 0.095 1 1 1467 . 18 1 1 A 144 144 ILE CA C 357 59.479 59.497 -0.018 1 1 1468 . 18 1 1 A 144 144 ILE CB C 357 40.898 42.376 -1.478 1 1 1472 . 18 1 1 A 144 144 ILE N N 357 121.194 120.145 1.049 1 1 1473 . 18 1 1 A 145 145 GLN H H 358 8.856 8.838 0.018 1 1 1474 . 18 1 1 A 145 145 GLN HA H 358 4.670 4.902 -0.232 1 1 1475 . 18 1 1 A 145 145 GLN C C 358 171.591 174.308 -2.717 1 1 1476 . 18 1 1 A 145 145 GLN CA C 358 53.648 54.459 -0.811 1 1 1477 . 18 1 1 A 145 145 GLN CB C 358 30.373 30.005 0.368 1 1 1479 . 18 1 1 A 145 145 GLN N N 358 128.880 128.070 0.810 1 1 1480 . 18 1 1 A 146 146 ALA H H 359 8.418 8.743 -0.325 1 1 1481 . 18 1 1 A 146 146 ALA HA H 359 5.247 4.369 0.878 1 1 1485 . 18 1 1 A 146 146 ALA C C 359 175.319 176.567 -1.248 1 1 1486 . 18 1 1 A 146 146 ALA CA C 359 50.243 51.750 -1.507 1 1 1487 . 18 1 1 A 146 146 ALA CB C 359 18.786 17.706 1.080 1 1 1488 . 18 1 1 A 146 146 ALA N N 359 128.349 129.850 -1.501 1 1 1489 . 18 1 1 A 147 147 ALA H H 360 8.161 8.248 -0.087 1 1 1490 . 18 1 1 A 147 147 ALA HA H 360 4.343 4.507 -0.164 1 1 1494 . 18 1 1 A 147 147 ALA C C 360 177.238 176.672 0.566 1 1 1495 . 18 1 1 A 147 147 ALA CA C 360 52.078 51.818 0.260 1 1 1496 . 18 1 1 A 147 147 ALA CB C 360 20.003 19.439 0.564 1 1 1497 . 18 1 1 A 147 147 ALA N N 360 123.005 123.409 -0.404 1 1 1498 . 18 1 1 A 148 148 GLN H H 361 8.461 8.947 -0.486 1 1 1499 . 18 1 1 A 148 148 GLN HA H 361 4.663 4.641 0.022 1 1 1504 . 18 1 1 A 148 148 GLN C C 361 176.333 176.726 -0.393 1 1 1505 . 18 1 1 A 148 148 GLN CA C 361 55.760 55.897 -0.137 1 1 1506 . 18 1 1 A 148 148 GLN CB C 361 29.937 30.096 -0.159 1 1 1508 . 18 1 1 A 148 148 GLN N N 361 120.296 120.567 -0.271 1 1 1509 . 18 1 1 A 149 149 GLY H H 362 8.631 7.930 0.701 1 1 1510 . 18 1 1 A 149 149 GLY HA2 H 362 3.858 3.982 -0.124 1 1 1511 . 18 1 1 A 149 149 GLY HA3 H 362 3.858 3.987 -0.129 1 1 1512 . 18 1 1 A 149 149 GLY C C 362 172.022 172.319 -0.297 1 1 1513 . 18 1 1 A 149 149 GLY CA C 362 44.969 44.815 0.154 1 1 1514 . 18 1 1 A 149 149 GLY N N 362 109.782 107.134 2.648 1 1 1515 . 18 1 1 A 150 150 ASP H H 363 7.566 8.564 -0.998 1 1 1516 . 18 1 1 A 150 150 ASP HA H 363 4.661 5.427 -0.766 1 1 1519 . 18 1 1 A 150 150 ASP C C 363 174.446 174.273 0.173 1 1 1520 . 18 1 1 A 150 150 ASP CA C 363 57.776 53.654 4.122 1 1 1521 . 18 1 1 A 150 150 ASP CB C 363 39.423 43.303 -3.880 1 1 1522 . 18 1 1 A 150 150 ASP N N 363 118.182 119.468 -1.286 1 1 1523 . 18 1 1 A 153 153 GLN HA H 366 4.665 4.916 -0.251 1 1 1530 . 18 1 1 A 153 153 GLN CA C 366 53.779 54.003 -0.224 1 1 1531 . 18 1 1 A 153 153 GLN CB C 366 28.988 33.239 -4.251 1 1 1534 . 18 1 1 A 155 155 GLY HA2 H 368 3.899 4.054 -0.155 1 1 1535 . 18 1 1 A 155 155 GLY HA3 H 368 3.899 4.057 -0.158 1 1 1536 . 18 1 1 A 155 155 GLY CA C 368 45.013 44.404 0.609 1 1 1537 . 18 1 1 A 156 156 ILE H H 369 7.871 8.174 -0.303 1 1 1538 . 18 1 1 A 156 156 ILE HA H 369 4.428 4.853 -0.425 1 1 1548 . 18 1 1 A 156 156 ILE C C 369 174.196 175.801 -1.605 1 1 1549 . 18 1 1 A 156 156 ILE CA C 369 58.676 57.171 1.505 1 1 1550 . 18 1 1 A 156 156 ILE CB C 369 38.516 39.566 -1.050 1 1 1554 . 18 1 1 A 156 156 ILE N N 369 120.958 118.462 2.496 1 1 1555 . 18 1 1 A 157 157 PRO HA H 370 4.386 4.496 -0.110 1 1 1562 . 18 1 1 A 157 157 PRO C C 370 176.218 177.140 -0.922 1 1 1563 . 18 1 1 A 157 157 PRO CA C 370 63.431 64.099 -0.668 1 1 1564 . 18 1 1 A 157 157 PRO CB C 370 31.913 31.773 0.140 1 1 1567 . 18 1 1 A 158 158 VAL H H 371 8.137 8.014 0.123 1 1 1568 . 18 1 1 A 158 158 VAL HA H 371 4.089 4.181 -0.092 1 1 1576 . 18 1 1 A 158 158 VAL C C 371 175.904 175.731 0.173 1 1 1577 . 18 1 1 A 158 158 VAL CA C 371 62.121 61.046 1.075 1 1 1578 . 18 1 1 A 158 158 VAL CB C 371 32.958 31.615 1.343 1 1 1581 . 18 1 1 A 158 158 VAL N N 371 119.640 115.267 4.373 1 1 1582 . 18 1 1 A 159 159 GLU H H 372 8.523 7.720 0.803 1 1 1583 . 18 1 1 A 159 159 GLU HA H 372 4.345 4.489 -0.144 1 1 1588 . 18 1 1 A 159 159 GLU C C 372 176.068 174.923 1.145 1 1 1589 . 18 1 1 A 159 159 GLU CA C 372 56.474 55.782 0.692 1 1 1590 . 18 1 1 A 159 159 GLU CB C 372 30.078 30.604 -0.526 1 1 1592 . 18 1 1 A 159 159 GLU N N 372 123.765 123.889 -0.124 1 1 1593 . 18 1 1 A 160 160 THR H H 373 8.096 8.727 -0.631 1 1 1594 . 18 1 1 A 160 160 THR HA H 373 4.311 4.764 -0.453 1 1 1599 . 18 1 1 A 160 160 THR C C 373 173.701 175.034 -1.333 1 1 1600 . 18 1 1 A 160 160 THR CA C 373 61.845 60.229 1.616 1 1 1601 . 18 1 1 A 160 160 THR CB C 373 69.760 71.534 -1.774 1 1 1603 . 18 1 1 A 160 160 THR N N 373 114.143 121.755 -7.612 1 1 1604 . 18 1 1 A 161 161 ASP H H 374 8.387 8.957 -0.570 1 1 1605 . 18 1 1 A 161 161 ASP HA H 374 4.625 4.678 -0.053 1 1 1608 . 18 1 1 A 161 161 ASP C C 374 175.806 175.459 0.347 1 1 1609 . 18 1 1 A 161 161 ASP CA C 374 54.478 53.883 0.595 1 1 1610 . 18 1 1 A 161 161 ASP CB C 374 41.096 40.892 0.204 1 1 1611 . 18 1 1 A 161 161 ASP N N 374 122.070 123.531 -1.461 1 1 1612 . 18 1 1 A 162 162 SER H H 375 8.175 8.070 0.105 1 1 1613 . 18 1 1 A 162 162 SER HA H 375 4.385 4.127 0.258 1 1 1616 . 18 1 1 A 162 162 SER C C 375 174.169 174.534 -0.365 1 1 1617 . 18 1 1 A 162 162 SER CA C 375 58.631 59.055 -0.424 1 1 1618 . 18 1 1 A 162 162 SER CB C 375 63.814 61.489 2.325 1 1 1619 . 18 1 1 A 162 162 SER N N 375 115.346 113.606 1.740 1 1 1620 . 18 1 1 A 163 163 GLU H H 376 8.424 8.003 0.421 1 1 1621 . 18 1 1 A 163 163 GLU HA H 376 4.263 4.342 -0.079 1 1 1626 . 18 1 1 A 163 163 GLU C C 376 175.959 176.357 -0.398 1 1 1627 . 18 1 1 A 163 163 GLU CA C 376 56.567 56.113 0.454 1 1 1628 . 18 1 1 A 163 163 GLU CB C 376 30.044 31.035 -0.991 1 1 1630 . 18 1 1 A 163 163 GLU N N 376 122.034 122.503 -0.469 1 1 1631 . 18 1 1 A 164 164 GLU H H 377 8.298 8.538 -0.240 1 1 1632 . 18 1 1 A 164 164 GLU HA H 377 4.224 4.347 -0.123 1 1 1637 . 18 1 1 A 164 164 GLU C C 377 175.816 177.931 -2.115 1 1 1638 . 18 1 1 A 164 164 GLU CA C 377 56.489 56.269 0.220 1 1 1639 . 18 1 1 A 164 164 GLU CB C 377 30.220 30.708 -0.488 1 1 1641 . 18 1 1 A 164 164 GLU N N 377 120.980 122.712 -1.732 1 1 1642 . 18 1 1 A 165 165 GLN H H 378 8.340 8.716 -0.376 1 1 1643 . 18 1 1 A 165 165 GLN HA H 378 4.563 4.014 0.549 1 1 1645 . 18 1 1 A 165 165 GLN C C 378 173.510 176.740 -3.230 1 1 1646 . 18 1 1 A 165 165 GLN CA C 378 53.530 60.738 -7.208 1 1 1647 . 18 1 1 A 165 165 GLN CB C 378 28.816 27.839 0.977 1 1 1649 . 18 1 1 A 165 165 GLN N N 378 121.693 120.815 0.878 1 1 1650 . 18 1 1 A 166 166 PRO HA H 379 4.381 4.709 -0.328 1 1 1657 . 18 1 1 A 166 166 PRO C C 379 176.081 175.971 0.110 1 1 1658 . 18 1 1 A 166 166 PRO CA C 379 63.260 62.441 0.819 1 1 1659 . 18 1 1 A 166 166 PRO CB C 379 32.010 29.201 2.809 1 1 1662 . 18 1 1 A 167 167 TYR H H 380 8.116 8.442 -0.326 1 1 1663 . 18 1 1 A 167 167 TYR HA H 380 4.513 4.634 -0.121 1 1 1668 . 18 1 1 A 167 167 TYR C C 380 174.992 175.303 -0.311 1 1 1669 . 18 1 1 A 167 167 TYR CA C 380 57.699 57.231 0.468 1 1 1670 . 18 1 1 A 167 167 TYR CB C 380 38.344 39.998 -1.654 1 1 1673 . 18 1 1 A 167 167 TYR N N 380 119.531 119.753 -0.222 1 1 1674 . 18 1 1 A 168 168 LEU H H 381 7.953 8.401 -0.448 1 1 1675 . 18 1 1 A 168 168 LEU HA H 381 4.267 5.049 -0.782 1 1 1685 . 18 1 1 A 168 168 LEU C C 381 176.162 175.308 0.854 1 1 1686 . 18 1 1 A 168 168 LEU CA C 381 54.808 53.138 1.670 1 1 1687 . 18 1 1 A 168 168 LEU CB C 381 42.735 44.130 -1.395 1 1 1691 . 18 1 1 A 168 168 LEU N N 381 124.133 116.935 7.198 1 1 1692 . 18 1 1 A 169 169 GLU H H 382 8.190 8.248 -0.058 1 1 1693 . 18 1 1 A 169 169 GLU HA H 382 4.167 4.739 -0.572 1 1 1698 . 18 1 1 A 169 169 GLU C C 382 175.881 176.224 -0.343 1 1 1699 . 18 1 1 A 169 169 GLU CA C 382 56.655 53.825 2.830 1 1 1700 . 18 1 1 A 169 169 GLU CB C 382 30.058 33.036 -2.978 1 1 1702 . 18 1 1 A 169 169 GLU N N 382 121.131 123.406 -2.275 1 1 1703 . 18 1 1 A 170 170 MET H H 383 8.214 8.697 -0.483 1 1 1704 . 18 1 1 A 170 170 MET HA H 383 4.377 4.388 -0.011 1 1 1709 . 18 1 1 A 170 170 MET C C 383 175.132 176.297 -1.165 1 1 1710 . 18 1 1 A 170 170 MET CA C 383 55.606 55.063 0.543 1 1 1711 . 18 1 1 A 170 170 MET CB C 383 33.091 33.924 -0.833 1 1 1713 . 18 1 1 A 170 170 MET N N 383 120.601 122.618 -2.017 1 1 1714 . 18 1 1 A 171 171 ASP H H 384 8.358 8.736 -0.378 1 1 1715 . 18 1 1 A 171 171 ASP HA H 384 4.575 4.379 0.196 1 1 1718 . 18 1 1 A 171 171 ASP C C 384 175.966 175.874 0.092 1 1 1719 . 18 1 1 A 171 171 ASP CA C 384 53.741 57.098 -3.357 1 1 1720 . 18 1 1 A 171 171 ASP CB C 384 40.571 41.246 -0.675 1 1 1721 . 18 1 1 A 171 171 ASP N N 384 121.104 120.770 0.334 1 1 1722 . 18 1 1 A 172 172 LEU H H 385 8.285 7.596 0.689 1 1 1723 . 18 1 1 A 172 172 LEU HA H 385 4.305 4.535 -0.230 1 1 1733 . 18 1 1 A 172 172 LEU C C 385 177.140 174.950 2.190 1 1 1734 . 18 1 1 A 172 172 LEU CA C 385 55.122 53.933 1.189 1 1 1735 . 18 1 1 A 172 172 LEU CB C 385 41.851 43.396 -1.545 1 1 1739 . 18 1 1 A 172 172 LEU N N 385 123.115 113.785 9.330 1 1 1740 . 18 1 1 A 173 173 SER H H 386 8.290 8.830 -0.540 1 1 1741 . 18 1 1 A 173 173 SER N N 386 115.101 114.225 0.876 1 1 1742 . 18 1 1 A 176 176 GLN HA H 389 4.383 4.466 -0.083 1 1 1749 . 18 1 1 A 176 176 GLN CA C 389 55.991 55.427 0.564 1 1 1750 . 18 1 1 A 176 176 GLN CB C 389 29.280 29.010 0.270 1 1 1753 . 18 1 1 A 177 177 THR H H 390 6.958 7.535 -0.577 1 1 1754 . 18 1 1 A 177 177 THR HA H 390 3.970 4.297 -0.327 1 1 1759 . 18 1 1 A 177 177 THR C C 390 172.764 174.643 -1.879 1 1 1760 . 18 1 1 A 177 177 THR CA C 390 62.221 62.260 -0.039 1 1 1761 . 18 1 1 A 177 177 THR CB C 390 69.382 69.761 -0.379 1 1 1763 . 18 1 1 A 177 177 THR N N 390 115.463 115.294 0.169 1 1 1764 . 18 1 1 A 178 178 ARG H H 391 7.873 8.492 -0.619 1 1 1765 . 18 1 1 A 178 178 ARG C C 391 174.982 173.924 1.058 1 1 1766 . 18 1 1 A 178 178 ARG CA C 391 55.266 54.709 0.557 1 1 1767 . 18 1 1 A 178 178 ARG CB C 391 31.052 31.651 -0.599 1 1 1769 . 18 1 1 A 178 178 ARG N N 391 122.116 122.202 -0.086 1 1 1770 . 18 1 1 A 179 179 TYR H H 392 8.812 8.949 -0.137 1 1 1771 . 18 1 1 A 179 179 TYR HA H 392 4.621 5.333 -0.712 1 1 1776 . 18 1 1 A 179 179 TYR C C 392 174.337 173.979 0.358 1 1 1777 . 18 1 1 A 179 179 TYR CA C 392 57.444 57.411 0.033 1 1 1778 . 18 1 1 A 179 179 TYR CB C 392 40.623 39.952 0.671 1 1 1781 . 18 1 1 A 179 179 TYR N N 392 118.296 124.992 -6.696 1 1 1782 . 18 1 1 A 180 180 ILE H H 393 7.254 8.034 -0.780 1 1 1783 . 18 1 1 A 180 180 ILE HA H 393 4.610 4.327 0.283 1 1 1793 . 18 1 1 A 180 180 ILE C C 393 171.654 173.769 -2.115 1 1 1794 . 18 1 1 A 180 180 ILE CA C 393 56.916 58.767 -1.851 1 1 1795 . 18 1 1 A 180 180 ILE CB C 393 39.736 38.410 1.326 1 1 1799 . 18 1 1 A 180 180 ILE N N 393 108.609 126.903 -18.294 1 1 1800 . 18 1 1 A 181 181 PRO HA H 394 4.709 4.563 0.146 1 1 1807 . 18 1 1 A 181 181 PRO C C 394 173.910 176.896 -2.986 1 1 1808 . 18 1 1 A 181 181 PRO CA C 394 62.144 62.500 -0.356 1 1 1809 . 18 1 1 A 181 181 PRO CB C 394 32.527 31.771 0.756 1 1 1812 . 18 1 1 A 182 182 ASP H H 395 8.296 8.653 -0.357 1 1 1813 . 18 1 1 A 182 182 ASP HA H 395 4.665 4.857 -0.192 1 1 1816 . 18 1 1 A 182 182 ASP C C 395 175.120 175.679 -0.559 1 1 1817 . 18 1 1 A 182 182 ASP CA C 395 52.455 53.750 -1.295 1 1 1818 . 18 1 1 A 182 182 ASP CB C 395 38.742 41.505 -2.763 1 1 1819 . 18 1 1 A 182 182 ASP N N 395 120.042 120.909 -0.867 1 1 1820 . 18 1 1 A 183 183 GLU H H 396 7.651 7.799 -0.148 1 1 1821 . 18 1 1 A 183 183 GLU HA H 396 4.492 4.436 0.056 1 1 1826 . 18 1 1 A 183 183 GLU C C 396 173.702 175.415 -1.713 1 1 1827 . 18 1 1 A 183 183 GLU CA C 396 54.897 56.250 -1.353 1 1 1828 . 18 1 1 A 183 183 GLU CB C 396 32.509 31.307 1.202 1 1 1830 . 18 1 1 A 183 183 GLU N N 396 117.840 119.523 -1.683 1 1 1831 . 18 1 1 A 184 184 ALA H H 397 8.365 8.697 -0.332 1 1 1832 . 18 1 1 A 184 184 ALA HA H 397 4.394 5.108 -0.714 1 1 1836 . 18 1 1 A 184 184 ALA C C 397 175.829 176.555 -0.726 1 1 1837 . 18 1 1 A 184 184 ALA CA C 397 52.770 50.618 2.152 1 1 1838 . 18 1 1 A 184 184 ALA CB C 397 20.682 23.148 -2.466 1 1 1839 . 18 1 1 A 184 184 ALA N N 397 121.613 121.089 0.524 1 1 1840 . 18 1 1 A 185 185 ASP H H 398 7.245 9.045 -1.800 1 1 1841 . 18 1 1 A 185 185 ASP HA H 398 4.092 4.286 -0.194 1 1 1844 . 18 1 1 A 185 185 ASP C C 398 172.730 175.073 -2.343 1 1 1845 . 18 1 1 A 185 185 ASP CA C 398 56.144 55.147 0.997 1 1 1846 . 18 1 1 A 185 185 ASP CB C 398 39.841 40.136 -0.295 1 1 1847 . 18 1 1 A 185 185 ASP N N 398 105.829 119.658 -13.829 1 1 1848 . 18 1 1 A 186 186 PHE H H 399 8.467 7.631 0.836 1 1 1849 . 18 1 1 A 186 186 PHE HA H 399 5.486 4.842 0.644 1 1 1852 . 18 1 1 A 186 186 PHE C C 399 176.218 173.083 3.135 1 1 1853 . 18 1 1 A 186 186 PHE CA C 399 57.959 57.302 0.657 1 1 1854 . 18 1 1 A 186 186 PHE CB C 399 44.529 43.225 1.304 1 1 1855 . 18 1 1 A 186 186 PHE N N 399 116.177 117.870 -1.693 1 1 1856 . 18 1 1 A 187 187 LEU H H 400 8.964 8.685 0.279 1 1 1857 . 18 1 1 A 187 187 LEU HA H 400 4.963 5.082 -0.119 1 1 1867 . 18 1 1 A 187 187 LEU C C 400 171.747 175.763 -4.016 1 1 1868 . 18 1 1 A 187 187 LEU CA C 400 55.422 54.050 1.372 1 1 1869 . 18 1 1 A 187 187 LEU CB C 400 45.641 44.813 0.828 1 1 1873 . 18 1 1 A 187 187 LEU N N 400 121.383 128.831 -7.448 1 1 1874 . 18 1 1 A 188 188 LEU H H 401 9.312 8.720 0.592 1 1 1875 . 18 1 1 A 188 188 LEU HA H 401 5.580 4.706 0.874 1 1 1885 . 18 1 1 A 188 188 LEU C C 401 173.853 176.501 -2.648 1 1 1886 . 18 1 1 A 188 188 LEU CA C 401 53.421 52.704 0.717 1 1 1887 . 18 1 1 A 188 188 LEU CB C 401 45.403 45.238 0.165 1 1 1891 . 18 1 1 A 188 188 LEU N N 401 128.151 122.780 5.371 1 1 1892 . 18 1 1 A 189 189 GLY H H 402 9.415 8.267 1.148 1 1 1893 . 18 1 1 A 189 189 GLY HA2 H 402 4.670 3.998 0.672 1 1 1894 . 18 1 1 A 189 189 GLY HA3 H 402 3.663 4.111 -0.448 1 1 1895 . 18 1 1 A 189 189 GLY C C 402 171.014 174.235 -3.221 1 1 1896 . 18 1 1 A 189 189 GLY CA C 402 44.967 45.495 -0.528 1 1 1897 . 18 1 1 A 189 189 GLY N N 402 115.881 107.813 8.068 1 1 1898 . 18 1 1 A 190 190 MET H H 403 8.118 7.602 0.516 1 1 1899 . 18 1 1 A 190 190 MET HA H 403 5.314 4.643 0.671 1 1 1907 . 18 1 1 A 190 190 MET C C 403 173.744 174.776 -1.032 1 1 1908 . 18 1 1 A 190 190 MET CA C 403 53.284 54.322 -1.038 1 1 1909 . 18 1 1 A 190 190 MET CB C 403 36.614 31.113 5.501 1 1 1912 . 18 1 1 A 190 190 MET N N 403 122.165 119.985 2.180 1 1 1934 . 18 1 1 A 203 203 ALA H H 416 8.076 8.374 -0.298 1 1 1935 . 18 1 1 A 203 203 ALA HA H 416 4.228 4.584 -0.356 1 1 1939 . 18 1 1 A 203 203 ALA C C 416 176.895 176.164 0.731 1 1 1940 . 18 1 1 A 203 203 ALA CA C 416 52.743 50.846 1.897 1 1 1941 . 18 1 1 A 203 203 ALA CB C 416 18.723 18.837 -0.114 1 1 1942 . 18 1 1 A 203 203 ALA N N 416 119.053 121.673 -2.620 1 1 1943 . 18 1 1 A 204 204 GLU H H 417 7.784 8.247 -0.463 1 1 1944 . 18 1 1 A 204 204 GLU HA H 417 4.350 4.971 -0.621 1 1 1949 . 18 1 1 A 204 204 GLU C C 417 175.678 175.482 0.196 1 1 1950 . 18 1 1 A 204 204 GLU CA C 417 55.650 55.092 0.558 1 1 1951 . 18 1 1 A 204 204 GLU CB C 417 30.312 31.132 -0.820 1 1 1953 . 18 1 1 A 204 204 GLU N N 417 116.458 120.561 -4.103 1 1 1954 . 18 1 1 A 205 205 GLY H H 418 7.910 8.606 -0.696 1 1 1955 . 18 1 1 A 205 205 GLY CA C 418 43.804 45.081 -1.277 1 1 1956 . 18 1 1 A 205 205 GLY N N 418 108.024 110.892 -2.868 1 1 1957 . 18 1 1 A 206 206 THR H H 419 8.364 8.795 -0.431 1 1 1958 . 18 1 1 A 206 206 THR HA H 419 4.316 5.557 -1.241 1 1 1963 . 18 1 1 A 206 206 THR CA C 419 64.682 59.703 4.979 1 1 1964 . 18 1 1 A 206 206 THR CB C 419 69.304 71.945 -2.641 1 1 1966 . 18 1 1 A 206 206 THR N N 419 115.417 115.184 0.233 1 1 1967 . 18 1 1 A 207 207 TRP HA H 420 4.116 4.612 -0.496 1 1 1976 . 18 1 1 A 207 207 TRP CA C 420 61.178 56.826 4.352 1 1 1977 . 18 1 1 A 207 207 TRP CB C 420 28.670 31.933 -3.263 1 1 1984 . 18 1 1 A 209 209 ILE H H 422 6.744 9.066 -2.322 1 1 1985 . 18 1 1 A 209 209 ILE HA H 422 3.349 3.879 -0.530 1 1 1993 . 18 1 1 A 209 209 ILE C C 422 178.143 177.834 0.309 1 1 1994 . 18 1 1 A 209 209 ILE CA C 422 60.865 64.060 -3.195 1 1 1995 . 18 1 1 A 209 209 ILE CB C 422 34.371 37.432 -3.061 1 1 1999 . 18 1 1 A 209 209 ILE N N 422 113.211 120.775 -7.564 1 1 2000 . 18 1 1 A 210 210 GLN H H 423 8.252 8.277 -0.025 1 1 2001 . 18 1 1 A 210 210 GLN HA H 423 3.548 3.956 -0.408 1 1 2006 . 18 1 1 A 210 210 GLN C C 423 179.079 177.809 1.270 1 1 2007 . 18 1 1 A 210 210 GLN CA C 423 58.795 58.764 0.031 1 1 2008 . 18 1 1 A 210 210 GLN CB C 423 26.704 27.992 -1.288 1 1 2010 . 18 1 1 A 210 210 GLN N N 423 116.455 122.713 -6.258 1 1 2011 . 18 1 1 A 211 211 SER H H 424 8.162 8.114 0.048 1 1 2012 . 18 1 1 A 211 211 SER HA H 424 3.961 4.550 -0.589 1 1 2015 . 18 1 1 A 211 211 SER C C 424 179.150 176.618 2.532 1 1 2016 . 18 1 1 A 211 211 SER CA C 424 61.850 60.655 1.195 1 1 2017 . 18 1 1 A 211 211 SER CB C 424 62.214 63.918 -1.704 1 1 2018 . 18 1 1 A 211 211 SER N N 424 115.041 115.847 -0.806 1 1 2019 . 18 1 1 A 212 212 LEU H H 425 8.061 8.361 -0.300 1 1 2020 . 18 1 1 A 212 212 LEU HA H 425 3.540 4.173 -0.633 1 1 2030 . 18 1 1 A 212 212 LEU C C 425 177.566 178.513 -0.947 1 1 2031 . 18 1 1 A 212 212 LEU CA C 425 58.548 58.064 0.484 1 1 2032 . 18 1 1 A 212 212 LEU CB C 425 41.665 41.490 0.175 1 1 2036 . 18 1 1 A 212 212 LEU N N 425 124.082 122.796 1.286 1 1 2037 . 18 1 1 A 213 213 CYS H H 426 7.940 8.230 -0.290 1 1 2038 . 18 1 1 A 213 213 CYS HA H 426 3.628 3.931 -0.303 1 1 2041 . 18 1 1 A 213 213 CYS C C 426 175.741 176.693 -0.952 1 1 2042 . 18 1 1 A 213 213 CYS CA C 426 65.159 62.976 2.183 1 1 2043 . 18 1 1 A 213 213 CYS CB C 426 49.251 26.916 22.335 1 1 2044 . 18 1 1 A 213 213 CYS N N 426 114.351 117.331 -2.980 1 1 2045 . 18 1 1 A 214 214 GLN H H 427 7.510 8.257 -0.747 1 1 2046 . 18 1 1 A 214 214 GLN HA H 427 3.772 4.166 -0.394 1 1 2051 . 18 1 1 A 214 214 GLN C C 427 177.769 177.753 0.016 1 1 2052 . 18 1 1 A 214 214 GLN CA C 427 59.019 57.362 1.657 1 1 2053 . 18 1 1 A 214 214 GLN CB C 427 27.718 27.376 0.342 1 1 2055 . 18 1 1 A 214 214 GLN N N 427 117.399 117.915 -0.516 1 1 2056 . 18 1 1 A 215 215 SER H H 428 7.906 7.819 0.087 1 1 2057 . 18 1 1 A 215 215 SER HA H 428 4.173 4.372 -0.199 1 1 2060 . 18 1 1 A 215 215 SER CA C 428 62.653 62.272 0.381 1 1 2061 . 18 1 1 A 215 215 SER CB C 428 62.889 63.769 -0.880 1 1 2062 . 18 1 1 A 215 215 SER N N 428 113.799 117.574 -3.775 1 1 2063 . 18 1 1 A 216 216 LEU H H 429 8.505 8.237 0.268 1 1 2064 . 18 1 1 A 216 216 LEU HA H 429 4.156 3.882 0.274 1 1 2071 . 18 1 1 A 216 216 LEU C C 429 178.848 178.180 0.668 1 1 2072 . 18 1 1 A 216 216 LEU CA C 429 58.053 57.928 0.125 1 1 2073 . 18 1 1 A 216 216 LEU CB C 429 41.222 41.116 0.106 1 1 2076 . 18 1 1 A 216 216 LEU N N 429 121.357 120.007 1.350 1 1 2077 . 18 1 1 A 217 217 ARG H H 430 7.972 8.638 -0.666 1 1 2078 . 18 1 1 A 217 217 ARG HA H 430 3.850 4.077 -0.227 1 1 2085 . 18 1 1 A 217 217 ARG C C 430 178.237 176.825 1.412 1 1 2086 . 18 1 1 A 217 217 ARG CA C 430 59.472 57.913 1.559 1 1 2087 . 18 1 1 A 217 217 ARG CB C 430 30.256 29.367 0.889 1 1 2090 . 18 1 1 A 217 217 ARG N N 430 116.018 121.124 -5.106 1 1 2091 . 18 1 1 A 218 218 GLU H H 431 7.583 8.007 -0.424 1 1 2092 . 18 1 1 A 218 218 GLU HA H 431 4.119 4.589 -0.470 1 1 2096 . 18 1 1 A 218 218 GLU C C 431 178.377 176.913 1.464 1 1 2097 . 18 1 1 A 218 218 GLU CA C 431 58.207 55.708 2.499 1 1 2098 . 18 1 1 A 218 218 GLU CB C 431 30.548 30.012 0.536 1 1 2100 . 18 1 1 A 218 218 GLU N N 431 113.645 118.599 -4.954 1 1 2101 . 18 1 1 A 219 219 ARG H H 432 8.621 7.749 0.872 1 1 2102 . 18 1 1 A 219 219 ARG HA H 432 4.180 4.547 -0.367 1 1 2103 . 18 1 1 A 219 219 ARG C C 432 178.455 177.635 0.820 1 1 2104 . 18 1 1 A 219 219 ARG CA C 432 58.428 57.037 1.391 1 1 2105 . 18 1 1 A 219 219 ARG CB C 432 30.936 32.730 -1.794 1 1 2107 . 18 1 1 A 219 219 ARG N N 432 114.272 118.205 -3.933 1 1 2108 . 18 1 1 A 220 220 CYS H H 433 8.828 8.772 0.056 1 1 2109 . 18 1 1 A 220 220 CYS HA H 433 4.464 4.230 0.234 1 1 2112 . 18 1 1 A 220 220 CYS C C 433 176.708 174.730 1.978 1 1 2113 . 18 1 1 A 220 220 CYS CA C 433 66.312 63.744 2.568 1 1 2114 . 18 1 1 A 220 220 CYS CB C 433 47.095 25.888 21.207 1 1 2115 . 18 1 1 A 220 220 CYS N N 433 120.012 118.988 1.024 1 1 2116 . 18 1 1 A 221 221 PRO HA H 434 4.463 4.444 0.019 1 1 2123 . 18 1 1 A 221 221 PRO C C 434 177.064 178.085 -1.021 1 1 2124 . 18 1 1 A 221 221 PRO CA C 434 65.717 64.674 1.043 1 1 2125 . 18 1 1 A 221 221 PRO CB C 434 31.169 31.416 -0.247 1 1 2128 . 18 1 1 A 222 222 ARG H H 435 6.904 7.835 -0.931 1 1 2129 . 18 1 1 A 222 222 ARG HA H 435 4.331 4.362 -0.031 1 1 2136 . 18 1 1 A 222 222 ARG C C 435 176.536 176.475 0.061 1 1 2137 . 18 1 1 A 222 222 ARG CA C 435 55.901 56.223 -0.322 1 1 2138 . 18 1 1 A 222 222 ARG CB C 435 30.116 30.654 -0.538 1 1 2141 . 18 1 1 A 222 222 ARG N N 435 112.486 116.916 -4.430 1 1 2142 . 18 1 1 A 223 223 GLY H H 436 8.160 7.904 0.256 1 1 2143 . 18 1 1 A 223 223 GLY HA2 H 436 4.237 4.143 0.094 1 1 2144 . 18 1 1 A 223 223 GLY HA3 H 436 3.643 4.226 -0.583 1 1 2145 . 18 1 1 A 223 223 GLY C C 436 173.338 174.317 -0.979 1 1 2146 . 18 1 1 A 223 223 GLY CA C 436 43.988 45.239 -1.251 1 1 2147 . 18 1 1 A 223 223 GLY N N 436 105.931 106.559 -0.628 1 1 2148 . 18 1 1 A 224 224 ASP H H 437 6.891 7.896 -1.005 1 1 2149 . 18 1 1 A 224 224 ASP HA H 437 4.500 4.636 -0.136 1 1 2151 . 18 1 1 A 224 224 ASP C C 437 173.806 175.526 -1.720 1 1 2152 . 18 1 1 A 224 224 ASP CA C 437 54.576 54.711 -0.135 1 1 2153 . 18 1 1 A 224 224 ASP CB C 437 40.588 40.782 -0.194 1 1 2154 . 18 1 1 A 224 224 ASP N N 437 119.342 122.091 -2.749 1 1 2155 . 18 1 1 A 225 225 ASP H H 438 8.054 8.786 -0.732 1 1 2156 . 18 1 1 A 225 225 ASP HA H 438 4.912 4.674 0.238 1 1 2159 . 18 1 1 A 225 225 ASP C C 438 175.631 176.768 -1.137 1 1 2160 . 18 1 1 A 225 225 ASP CA C 438 52.579 54.682 -2.103 1 1 2161 . 18 1 1 A 225 225 ASP CB C 438 42.616 41.278 1.338 1 1 2162 . 18 1 1 A 225 225 ASP N N 438 117.877 125.601 -7.724 1 1 2163 . 18 1 1 A 226 226 ILE H H 439 9.101 8.672 0.429 1 1 2164 . 18 1 1 A 226 226 ILE HA H 439 3.621 3.837 -0.216 1 1 2174 . 18 1 1 A 226 226 ILE C C 439 176.146 176.818 -0.672 1 1 2175 . 18 1 1 A 226 226 ILE CA C 439 62.602 63.744 -1.142 1 1 2176 . 18 1 1 A 226 226 ILE CB C 439 36.530 37.764 -1.234 1 1 2180 . 18 1 1 A 226 226 ILE N N 439 118.352 123.084 -4.732 1 1 2181 . 18 1 1 A 227 227 LEU H H 440 7.814 7.689 0.125 1 1 2182 . 18 1 1 A 227 227 LEU HA H 440 3.918 3.685 0.233 1 1 2192 . 18 1 1 A 227 227 LEU C C 440 179.397 178.035 1.362 1 1 2193 . 18 1 1 A 227 227 LEU CA C 440 58.566 57.735 0.831 1 1 2194 . 18 1 1 A 227 227 LEU CB C 440 40.819 41.357 -0.538 1 1 2198 . 18 1 1 A 227 227 LEU N N 440 119.906 122.343 -2.437 1 1 2199 . 18 1 1 A 228 228 THR H H 441 7.665 7.808 -0.143 1 1 2200 . 18 1 1 A 228 228 THR HA H 441 4.289 4.075 0.214 1 1 2205 . 18 1 1 A 228 228 THR C C 441 179.489 176.438 3.051 1 1 2206 . 18 1 1 A 228 228 THR CA C 441 61.837 64.783 -2.946 1 1 2207 . 18 1 1 A 228 228 THR CB C 441 69.979 68.949 1.030 1 1 2209 . 18 1 1 A 228 228 THR N N 441 120.011 114.801 5.210 1 1 2210 . 18 1 1 A 229 229 ILE H H 442 7.807 7.932 -0.125 1 1 2211 . 18 1 1 A 229 229 ILE HA H 442 3.300 3.595 -0.295 1 1 2221 . 18 1 1 A 229 229 ILE C C 442 177.728 177.847 -0.119 1 1 2222 . 18 1 1 A 229 229 ILE CA C 442 66.069 65.333 0.736 1 1 2223 . 18 1 1 A 229 229 ILE CB C 442 38.260 37.873 0.387 1 1 2227 . 18 1 1 A 229 229 ILE N N 442 119.411 121.145 -1.734 1 1 2228 . 18 1 1 A 230 230 LEU H H 443 8.530 7.454 1.076 1 1 2229 . 18 1 1 A 230 230 LEU HA H 443 3.958 4.032 -0.074 1 1 2239 . 18 1 1 A 230 230 LEU C C 443 178.689 178.122 0.567 1 1 2240 . 18 1 1 A 230 230 LEU CA C 443 57.697 57.644 0.053 1 1 2241 . 18 1 1 A 230 230 LEU CB C 443 42.191 41.896 0.295 1 1 2245 . 18 1 1 A 230 230 LEU N N 443 116.186 119.975 -3.789 1 1 2246 . 18 1 1 A 231 231 THR H H 444 8.008 7.840 0.168 1 1 2247 . 18 1 1 A 231 231 THR HA H 444 4.153 4.521 -0.368 1 1 2252 . 18 1 1 A 231 231 THR C C 444 175.208 175.730 -0.522 1 1 2253 . 18 1 1 A 231 231 THR CA C 444 65.327 61.438 3.889 1 1 2254 . 18 1 1 A 231 231 THR CB C 444 69.718 69.376 0.342 1 1 2256 . 18 1 1 A 231 231 THR N N 444 112.075 107.203 4.872 1 1 2257 . 18 1 1 A 232 232 GLU H H 445 7.717 8.076 -0.359 1 1 2258 . 18 1 1 A 232 232 GLU HA H 445 4.186 4.054 0.132 1 1 2259 . 18 1 1 A 232 232 GLU C C 445 177.156 177.838 -0.682 1 1 2260 . 18 1 1 A 232 232 GLU CA C 445 57.891 58.717 -0.826 1 1 2261 . 18 1 1 A 232 232 GLU CB C 445 28.836 29.484 -0.648 1 1 2263 . 18 1 1 A 232 232 GLU N N 445 120.074 121.598 -1.524 1 1 2294 . 18 1 1 A 252 252 GLN H H 465 8.586 7.738 0.848 1 1 2295 . 18 1 1 A 252 252 GLN HA H 465 4.689 4.578 0.111 1 1 2296 . 18 1 1 A 252 252 GLN C C 465 174.446 173.667 0.779 1 1 2297 . 18 1 1 A 252 252 GLN CA C 465 53.682 53.881 -0.199 1 1 2298 . 18 1 1 A 252 252 GLN CB C 465 28.537 28.756 -0.219 1 1 2300 . 18 1 1 A 252 252 GLN N N 465 121.782 116.358 5.424 1 1 2301 . 18 1 1 A 253 253 PRO HA H 466 4.902 4.600 0.302 1 1 2302 . 18 1 1 A 253 253 PRO C C 466 174.937 177.361 -2.424 1 1 2303 . 18 1 1 A 253 253 PRO CA C 466 63.075 62.118 0.957 1 1 2304 . 18 1 1 A 253 253 PRO CB C 466 32.384 29.850 2.534 1 1 2307 . 18 1 1 A 254 254 THR H H 467 8.556 8.146 0.410 1 1 2308 . 18 1 1 A 254 254 THR HA H 467 4.659 4.115 0.544 1 1 2313 . 18 1 1 A 254 254 THR C C 467 172.995 174.808 -1.813 1 1 2314 . 18 1 1 A 254 254 THR CA C 467 61.740 63.094 -1.354 1 1 2315 . 18 1 1 A 254 254 THR CB C 467 70.195 68.824 1.371 1 1 2317 . 18 1 1 A 254 254 THR N N 467 115.754 115.978 -0.224 1 1 2318 . 18 1 1 A 255 255 PHE H H 468 8.560 7.471 1.089 1 1 2319 . 18 1 1 A 255 255 PHE HA H 468 5.502 4.715 0.787 1 1 2322 . 18 1 1 A 255 255 PHE C C 468 173.198 174.894 -1.696 1 1 2323 . 18 1 1 A 255 255 PHE CA C 468 56.283 55.406 0.877 1 1 2324 . 18 1 1 A 255 255 PHE CB C 468 43.426 41.446 1.980 1 1 2325 . 18 1 1 A 255 255 PHE N N 468 120.481 118.532 1.949 1 1 2326 . 18 1 1 A 256 256 THR H H 469 9.702 8.256 1.446 1 1 2327 . 18 1 1 A 256 256 THR HA H 469 4.662 5.181 -0.519 1 1 2332 . 18 1 1 A 256 256 THR C C 469 176.561 173.223 3.338 1 1 2333 . 18 1 1 A 256 256 THR CA C 469 59.948 60.605 -0.657 1 1 2334 . 18 1 1 A 256 256 THR CB C 469 69.145 71.178 -2.033 1 1 2336 . 18 1 1 A 256 256 THR N N 469 108.601 111.914 -3.313 1 1 2337 . 18 1 1 A 257 257 LEU H H 470 7.235 9.103 -1.868 1 1 2338 . 18 1 1 A 257 257 LEU HA H 470 4.401 5.145 -0.744 1 1 2348 . 18 1 1 A 257 257 LEU C C 470 175.975 176.694 -0.719 1 1 2349 . 18 1 1 A 257 257 LEU CA C 470 55.492 53.762 1.730 1 1 2350 . 18 1 1 A 257 257 LEU CB C 470 41.850 45.906 -4.056 1 1 2354 . 18 1 1 A 257 257 LEU N N 470 120.802 126.803 -6.001 1 1 2355 . 18 1 1 A 258 258 ARG H H 471 8.228 8.661 -0.433 1 1 2356 . 18 1 1 A 258 258 ARG HA H 471 4.631 4.641 -0.010 1 1 2363 . 18 1 1 A 258 258 ARG C C 471 174.114 175.896 -1.782 1 1 2364 . 18 1 1 A 258 258 ARG CA C 471 55.071 56.274 -1.203 1 1 2365 . 18 1 1 A 258 258 ARG CB C 471 32.470 32.045 0.425 1 1 2368 . 18 1 1 A 258 258 ARG N N 471 118.883 119.342 -0.459 1 1 2369 . 18 1 1 A 259 259 LYS H H 472 7.217 7.589 -0.372 1 1 2370 . 18 1 1 A 259 259 LYS HA H 472 4.260 4.928 -0.668 1 1 2379 . 18 1 1 A 259 259 LYS C C 472 174.571 174.993 -0.422 1 1 2380 . 18 1 1 A 259 259 LYS CA C 472 53.269 54.320 -1.051 1 1 2381 . 18 1 1 A 259 259 LYS CB C 472 36.332 35.629 0.703 1 1 2385 . 18 1 1 A 259 259 LYS N N 472 116.031 115.918 0.113 1 1 2386 . 18 1 1 A 260 260 LYS H H 473 8.357 8.450 -0.093 1 1 2387 . 18 1 1 A 260 260 LYS HA H 473 4.297 4.453 -0.156 1 1 2396 . 18 1 1 A 260 260 LYS C C 473 174.137 175.340 -1.203 1 1 2397 . 18 1 1 A 260 260 LYS CA C 473 57.258 56.069 1.189 1 1 2398 . 18 1 1 A 260 260 LYS CB C 473 33.561 33.231 0.330 1 1 2402 . 18 1 1 A 260 260 LYS N N 473 119.377 122.426 -3.049 1 1 2403 . 18 1 1 A 261 261 LEU H H 474 9.288 8.802 0.486 1 1 2404 . 18 1 1 A 261 261 LEU HA H 474 5.048 4.884 0.164 1 1 2414 . 18 1 1 A 261 261 LEU C C 474 172.558 174.903 -2.345 1 1 2415 . 18 1 1 A 261 261 LEU CA C 474 53.327 54.265 -0.938 1 1 2416 . 18 1 1 A 261 261 LEU CB C 474 44.313 42.420 1.893 1 1 2420 . 18 1 1 A 261 261 LEU N N 474 126.482 129.446 -2.964 1 1 2421 . 18 1 1 A 262 262 VAL H H 475 8.876 8.975 -0.099 1 1 2422 . 18 1 1 A 262 262 VAL HA H 475 4.238 4.877 -0.639 1 1 2430 . 18 1 1 A 262 262 VAL C C 475 174.243 175.093 -0.850 1 1 2431 . 18 1 1 A 262 262 VAL CA C 475 59.734 60.775 -1.041 1 1 2432 . 18 1 1 A 262 262 VAL CB C 475 34.790 35.051 -0.261 1 1 2435 . 18 1 1 A 262 262 VAL N N 475 124.316 127.525 -3.209 1 1 2436 . 18 1 1 A 263 263 PHE H H 476 8.826 8.592 0.234 1 1 2437 . 18 1 1 A 263 263 PHE HA H 476 5.518 5.404 0.114 1 1 2443 . 18 1 1 A 263 263 PHE C C 476 171.887 173.230 -1.343 1 1 2444 . 18 1 1 A 263 263 PHE CA C 476 52.082 54.962 -2.880 1 1 2445 . 18 1 1 A 263 263 PHE CB C 476 39.792 39.247 0.545 1 1 2449 . 18 1 1 A 263 263 PHE N N 476 122.867 125.367 -2.500 1 1 2450 . 18 1 1 A 264 264 PRO HA H 477 4.649 4.717 -0.068 1 1 2457 . 18 1 1 A 264 264 PRO C C 477 178.322 177.641 0.681 1 1 2458 . 18 1 1 A 264 264 PRO CA C 477 62.333 63.089 -0.756 1 1 2459 . 18 1 1 A 264 264 PRO CB C 477 32.553 33.028 -0.475 1 1 2462 . 18 1 1 A 265 265 SER H H 478 8.763 8.908 -0.145 1 1 2463 . 18 1 1 A 265 265 SER HA H 478 4.494 4.353 0.141 1 1 2466 . 18 1 1 A 265 265 SER C C 478 173.725 176.179 -2.454 1 1 2467 . 18 1 1 A 265 265 SER CA C 478 59.060 60.322 -1.262 1 1 2468 . 18 1 1 A 265 265 SER CB C 478 64.038 63.105 0.933 1 1 2469 . 18 1 1 A 265 265 SER N N 478 116.725 118.598 -1.873 1 1 17 . 19 1 1 A 12 12 VAL H H 225 7.819 8.404 -0.585 1 1 18 . 19 1 1 A 12 12 VAL HA H 225 4.946 3.871 1.075 1 1 26 . 19 1 1 A 12 12 VAL C C 225 175.898 176.569 -0.671 1 1 27 . 19 1 1 A 12 12 VAL CA C 225 59.650 62.996 -3.346 1 1 28 . 19 1 1 A 12 12 VAL CB C 225 35.296 31.437 3.859 1 1 31 . 19 1 1 A 12 12 VAL N N 225 117.637 121.585 -3.948 1 1 32 . 19 1 1 A 13 13 TYR H H 226 8.318 9.052 -0.734 1 1 33 . 19 1 1 A 13 13 TYR HA H 226 4.291 4.224 0.067 1 1 36 . 19 1 1 A 13 13 TYR C C 226 176.911 175.753 1.158 1 1 37 . 19 1 1 A 13 13 TYR CA C 226 60.063 58.707 1.356 1 1 38 . 19 1 1 A 13 13 TYR CB C 226 37.843 37.157 0.686 1 1 39 . 19 1 1 A 13 13 TYR N N 226 122.976 128.653 -5.677 1 1 40 . 19 1 1 A 14 14 GLN H H 227 9.128 7.800 1.328 1 1 41 . 19 1 1 A 14 14 GLN HA H 227 3.996 4.482 -0.486 1 1 46 . 19 1 1 A 14 14 GLN C C 227 175.052 175.259 -0.207 1 1 47 . 19 1 1 A 14 14 GLN CA C 227 57.421 55.344 2.077 1 1 48 . 19 1 1 A 14 14 GLN CB C 227 29.550 29.457 0.093 1 1 50 . 19 1 1 A 14 14 GLN N N 227 124.676 118.687 5.989 1 1 51 . 19 1 1 A 15 15 MET H H 228 8.465 7.466 0.999 1 1 52 . 19 1 1 A 15 15 MET HA H 228 5.210 4.260 0.950 1 1 60 . 19 1 1 A 15 15 MET C C 228 172.979 176.134 -3.155 1 1 61 . 19 1 1 A 15 15 MET CA C 228 52.955 56.052 -3.097 1 1 62 . 19 1 1 A 15 15 MET CB C 228 30.751 32.556 -1.805 1 1 65 . 19 1 1 A 15 15 MET N N 228 128.835 118.273 10.562 1 1 66 . 19 1 1 A 16 16 LYS H H 229 9.119 8.594 0.525 1 1 67 . 19 1 1 A 16 16 LYS HA H 229 4.558 4.435 0.123 1 1 76 . 19 1 1 A 16 16 LYS C C 229 176.209 175.772 0.437 1 1 77 . 19 1 1 A 16 16 LYS CA C 229 55.916 55.800 0.116 1 1 78 . 19 1 1 A 16 16 LYS CB C 229 35.555 32.348 3.207 1 1 82 . 19 1 1 A 16 16 LYS N N 229 120.235 124.777 -4.542 1 1 83 . 19 1 1 A 17 17 SER H H 230 9.101 7.467 1.634 1 1 84 . 19 1 1 A 17 17 SER HA H 230 4.077 4.624 -0.547 1 1 87 . 19 1 1 A 17 17 SER C C 230 172.995 173.155 -0.160 1 1 88 . 19 1 1 A 17 17 SER CA C 230 59.615 55.718 3.897 1 1 89 . 19 1 1 A 17 17 SER CB C 230 64.482 65.162 -0.680 1 1 90 . 19 1 1 A 17 17 SER N N 230 121.500 116.681 4.819 1 1 91 . 19 1 1 A 18 18 LYS H H 231 8.120 8.543 -0.423 1 1 92 . 19 1 1 A 18 18 LYS HA H 231 4.373 4.790 -0.417 1 1 101 . 19 1 1 A 18 18 LYS C C 231 173.565 175.773 -2.208 1 1 102 . 19 1 1 A 18 18 LYS CA C 231 53.231 53.218 0.013 1 1 103 . 19 1 1 A 18 18 LYS CB C 231 34.596 34.470 0.126 1 1 107 . 19 1 1 A 18 18 LYS N N 231 120.561 119.148 1.413 1 1 108 . 19 1 1 A 19 19 PRO HA H 232 4.898 3.965 0.933 1 1 115 . 19 1 1 A 19 19 PRO C C 232 176.162 176.383 -0.221 1 1 116 . 19 1 1 A 19 19 PRO CA C 232 62.838 64.296 -1.458 1 1 117 . 19 1 1 A 19 19 PRO CB C 232 34.997 31.826 3.171 1 1 120 . 19 1 1 A 20 20 ARG H H 233 8.782 8.436 0.346 1 1 121 . 19 1 1 A 20 20 ARG HA H 233 3.651 4.401 -0.750 1 1 122 . 19 1 1 A 20 20 ARG C C 233 175.210 175.772 -0.562 1 1 123 . 19 1 1 A 20 20 ARG CA C 233 56.621 55.425 1.196 1 1 124 . 19 1 1 A 20 20 ARG CB C 233 30.581 28.514 2.067 1 1 127 . 19 1 1 A 20 20 ARG N N 233 118.785 117.524 1.261 1 1 128 . 19 1 1 A 21 21 GLY H H 234 6.490 8.058 -1.568 1 1 129 . 19 1 1 A 21 21 GLY HA2 H 234 4.312 4.115 0.197 1 1 130 . 19 1 1 A 21 21 GLY HA3 H 234 4.662 4.217 0.445 1 1 131 . 19 1 1 A 21 21 GLY C C 234 172.012 172.682 -0.670 1 1 132 . 19 1 1 A 21 21 GLY CA C 234 43.743 45.646 -1.903 1 1 133 . 19 1 1 A 21 21 GLY N N 234 128.529 108.377 20.152 1 1 134 . 19 1 1 A 22 22 TYR H H 235 9.327 8.956 0.371 1 1 135 . 19 1 1 A 22 22 TYR HA H 235 5.260 5.303 -0.043 1 1 140 . 19 1 1 A 22 22 TYR C C 235 173.931 175.770 -1.839 1 1 141 . 19 1 1 A 22 22 TYR CA C 235 58.287 57.100 1.187 1 1 142 . 19 1 1 A 22 22 TYR CB C 235 39.762 38.211 1.551 1 1 145 . 19 1 1 A 22 22 TYR N N 235 119.429 122.129 -2.700 1 1 146 . 19 1 1 A 23 23 CYS H H 236 8.665 8.390 0.275 1 1 147 . 19 1 1 A 23 23 CYS HA H 236 4.928 4.943 -0.015 1 1 148 . 19 1 1 A 23 23 CYS C C 236 172.970 174.196 -1.226 1 1 149 . 19 1 1 A 23 23 CYS CA C 236 55.636 57.337 -1.701 1 1 150 . 19 1 1 A 23 23 CYS CB C 236 50.040 29.183 20.857 1 1 151 . 19 1 1 A 23 23 CYS N N 236 120.485 123.371 -2.886 1 1 152 . 19 1 1 A 24 24 LEU H H 237 8.619 8.627 -0.008 1 1 153 . 19 1 1 A 24 24 LEU HA H 237 4.691 5.358 -0.667 1 1 163 . 19 1 1 A 24 24 LEU C C 237 175.850 176.530 -0.680 1 1 164 . 19 1 1 A 24 24 LEU CA C 237 54.053 53.438 0.615 1 1 165 . 19 1 1 A 24 24 LEU CB C 237 44.117 44.919 -0.802 1 1 169 . 19 1 1 A 24 24 LEU N N 237 129.465 122.561 6.904 1 1 170 . 19 1 1 A 25 25 ILE H H 238 8.304 8.942 -0.638 1 1 171 . 19 1 1 A 25 25 ILE HA H 238 4.639 4.701 -0.062 1 1 179 . 19 1 1 A 25 25 ILE C C 238 174.032 174.742 -0.710 1 1 180 . 19 1 1 A 25 25 ILE CA C 238 60.879 61.029 -0.150 1 1 181 . 19 1 1 A 25 25 ILE CB C 238 41.165 40.164 1.001 1 1 185 . 19 1 1 A 25 25 ILE N N 238 122.597 122.888 -0.291 1 1 186 . 19 1 1 A 26 26 ILE H H 239 9.025 8.903 0.122 1 1 187 . 19 1 1 A 26 26 ILE HA H 239 4.778 5.127 -0.349 1 1 197 . 19 1 1 A 26 26 ILE C C 239 173.104 173.765 -0.661 1 1 198 . 19 1 1 A 26 26 ILE CA C 239 60.733 60.223 0.510 1 1 199 . 19 1 1 A 26 26 ILE CB C 239 38.237 38.865 -0.628 1 1 203 . 19 1 1 A 26 26 ILE N N 239 129.303 128.652 0.651 1 1 204 . 19 1 1 A 27 27 ASN H H 240 8.957 9.057 -0.100 1 1 205 . 19 1 1 A 27 27 ASN HA H 240 5.174 5.420 -0.246 1 1 208 . 19 1 1 A 27 27 ASN C C 240 172.948 173.700 -0.752 1 1 209 . 19 1 1 A 27 27 ASN CA C 240 52.055 51.785 0.270 1 1 210 . 19 1 1 A 27 27 ASN CB C 240 40.530 40.080 0.450 1 1 211 . 19 1 1 A 27 27 ASN N N 240 125.494 126.814 -1.320 1 1 212 . 19 1 1 A 28 28 ASN H H 241 9.118 9.001 0.117 1 1 213 . 19 1 1 A 28 28 ASN HA H 241 5.106 4.830 0.276 1 1 216 . 19 1 1 A 28 28 ASN C C 241 172.184 176.119 -3.935 1 1 217 . 19 1 1 A 28 28 ASN CA C 241 52.599 52.630 -0.031 1 1 218 . 19 1 1 A 28 28 ASN CB C 241 38.296 38.501 -0.205 1 1 219 . 19 1 1 A 28 28 ASN N N 241 125.089 125.139 -0.050 1 1 220 . 19 1 1 A 29 29 HIS H H 242 9.512 8.515 0.997 1 1 221 . 19 1 1 A 29 29 HIS HA H 242 4.384 4.868 -0.484 1 1 224 . 19 1 1 A 29 29 HIS C C 242 173.519 175.360 -1.841 1 1 225 . 19 1 1 A 29 29 HIS CA C 242 59.174 55.541 3.633 1 1 226 . 19 1 1 A 29 29 HIS CB C 242 28.022 31.145 -3.123 1 1 227 . 19 1 1 A 29 29 HIS N N 242 125.634 121.057 4.577 1 1 228 . 19 1 1 A 30 30 ASN H H 243 8.623 8.112 0.511 1 1 229 . 19 1 1 A 30 30 ASN HA H 243 4.148 4.691 -0.543 1 1 234 . 19 1 1 A 30 30 ASN C C 243 175.052 175.698 -0.646 1 1 235 . 19 1 1 A 30 30 ASN CA C 243 53.229 53.586 -0.357 1 1 236 . 19 1 1 A 30 30 ASN CB C 243 38.980 39.615 -0.635 1 1 237 . 19 1 1 A 30 30 ASN N N 243 119.059 121.275 -2.216 1 1 239 . 19 1 1 A 31 31 PHE H H 244 8.676 8.236 0.440 1 1 240 . 19 1 1 A 31 31 PHE HA H 244 4.686 4.982 -0.296 1 1 243 . 19 1 1 A 31 31 PHE C C 244 174.399 176.369 -1.970 1 1 244 . 19 1 1 A 31 31 PHE CA C 244 57.688 56.676 1.012 1 1 245 . 19 1 1 A 31 31 PHE CB C 244 39.026 39.925 -0.899 1 1 246 . 19 1 1 A 31 31 PHE N N 244 124.091 116.842 7.249 1 1 247 . 19 1 1 A 32 32 ALA H H 245 8.244 8.517 -0.273 1 1 248 . 19 1 1 A 32 32 ALA HA H 245 3.869 3.809 0.060 1 1 252 . 19 1 1 A 32 32 ALA C C 245 180.452 177.899 2.553 1 1 253 . 19 1 1 A 32 32 ALA CA C 245 56.274 54.343 1.931 1 1 254 . 19 1 1 A 32 32 ALA CB C 245 18.181 18.400 -0.219 1 1 255 . 19 1 1 A 32 32 ALA N N 245 122.713 123.221 -0.508 1 1 256 . 19 1 1 A 33 33 LYS H H 246 8.964 7.441 1.523 1 1 257 . 19 1 1 A 33 33 LYS HA H 246 4.089 4.404 -0.315 1 1 266 . 19 1 1 A 33 33 LYS C C 246 177.441 176.148 1.293 1 1 267 . 19 1 1 A 33 33 LYS CA C 246 58.632 57.308 1.324 1 1 268 . 19 1 1 A 33 33 LYS CB C 246 30.418 33.870 -3.452 1 1 272 . 19 1 1 A 33 33 LYS N N 246 116.888 115.626 1.262 1 1 273 . 19 1 1 A 34 34 ALA H H 247 7.088 7.431 -0.343 1 1 274 . 19 1 1 A 34 34 ALA HA H 247 3.752 4.010 -0.258 1 1 278 . 19 1 1 A 34 34 ALA C C 247 177.581 176.460 1.121 1 1 279 . 19 1 1 A 34 34 ALA CA C 247 55.502 53.479 2.023 1 1 280 . 19 1 1 A 34 34 ALA CB C 247 18.099 17.904 0.195 1 1 281 . 19 1 1 A 34 34 ALA N N 247 122.047 119.913 2.134 1 1 282 . 19 1 1 A 35 35 ARG H H 248 7.706 7.868 -0.162 1 1 283 . 19 1 1 A 35 35 ARG HA H 248 4.338 4.188 0.150 1 1 292 . 19 1 1 A 35 35 ARG C C 248 179.094 176.482 2.612 1 1 293 . 19 1 1 A 35 35 ARG CA C 248 56.283 55.495 0.788 1 1 294 . 19 1 1 A 35 35 ARG CB C 248 30.668 29.268 1.400 1 1 297 . 19 1 1 A 35 35 ARG N N 248 112.008 119.485 -7.477 1 1 299 . 19 1 1 A 36 36 GLU H H 249 7.707 8.469 -0.762 1 1 300 . 19 1 1 A 36 36 GLU HA H 249 4.121 4.060 0.061 1 1 305 . 19 1 1 A 36 36 GLU C C 249 178.205 176.702 1.503 1 1 306 . 19 1 1 A 36 36 GLU CA C 249 58.194 57.818 0.376 1 1 307 . 19 1 1 A 36 36 GLU CB C 249 30.596 29.473 1.123 1 1 309 . 19 1 1 A 36 36 GLU N N 249 116.945 122.770 -5.825 1 1 310 . 19 1 1 A 37 37 LYS H H 250 7.954 8.132 -0.178 1 1 311 . 19 1 1 A 37 37 LYS HA H 250 4.381 4.184 0.197 1 1 320 . 19 1 1 A 37 37 LYS C C 250 176.772 177.262 -0.490 1 1 321 . 19 1 1 A 37 37 LYS CA C 250 57.323 57.966 -0.643 1 1 322 . 19 1 1 A 37 37 LYS CB C 250 34.892 32.975 1.917 1 1 326 . 19 1 1 A 37 37 LYS N N 250 114.798 118.595 -3.797 1 1 327 . 19 1 1 A 38 38 VAL H H 251 8.298 7.335 0.963 1 1 328 . 19 1 1 A 38 38 VAL HA H 251 4.582 4.489 0.093 1 1 336 . 19 1 1 A 38 38 VAL C C 251 174.903 175.156 -0.253 1 1 337 . 19 1 1 A 38 38 VAL CA C 251 60.316 59.385 0.931 1 1 338 . 19 1 1 A 38 38 VAL CB C 251 32.374 31.559 0.815 1 1 341 . 19 1 1 A 38 38 VAL N N 251 120.907 114.467 6.440 1 1 342 . 19 1 1 A 40 40 LYS H H 253 8.588 8.142 0.446 1 1 343 . 19 1 1 A 40 40 LYS HA H 253 4.275 4.235 0.040 1 1 352 . 19 1 1 A 40 40 LYS C C 253 176.447 178.933 -2.486 1 1 353 . 19 1 1 A 40 40 LYS CA C 253 58.550 59.480 -0.930 1 1 354 . 19 1 1 A 40 40 LYS CB C 253 31.568 32.028 -0.460 1 1 358 . 19 1 1 A 40 40 LYS N N 253 113.861 118.770 -4.909 1 1 359 . 19 1 1 A 41 41 LEU H H 254 7.948 8.147 -0.199 1 1 360 . 19 1 1 A 41 41 LEU HA H 254 4.391 4.049 0.342 1 1 370 . 19 1 1 A 41 41 LEU C C 254 175.989 179.385 -3.396 1 1 371 . 19 1 1 A 41 41 LEU CA C 254 53.279 57.365 -4.086 1 1 372 . 19 1 1 A 41 41 LEU CB C 254 40.369 41.200 -0.831 1 1 376 . 19 1 1 A 41 41 LEU N N 254 118.998 119.888 -0.890 1 1 377 . 19 1 1 A 42 42 HIS H H 255 7.167 8.173 -1.006 1 1 378 . 19 1 1 A 42 42 HIS HA H 255 4.376 4.341 0.035 1 1 382 . 19 1 1 A 42 42 HIS C C 255 174.836 175.968 -1.132 1 1 383 . 19 1 1 A 42 42 HIS CA C 255 59.188 58.257 0.931 1 1 384 . 19 1 1 A 42 42 HIS CB C 255 30.311 28.851 1.460 1 1 386 . 19 1 1 A 42 42 HIS N N 255 116.251 117.679 -1.428 1 1 387 . 19 1 1 A 43 43 SER H H 256 7.735 7.721 0.014 1 1 388 . 19 1 1 A 43 43 SER HA H 256 4.490 4.065 0.425 1 1 391 . 19 1 1 A 43 43 SER C C 256 174.045 173.797 0.248 1 1 392 . 19 1 1 A 43 43 SER CA C 256 56.420 57.557 -1.137 1 1 393 . 19 1 1 A 43 43 SER CB C 256 64.093 63.371 0.722 1 1 394 . 19 1 1 A 43 43 SER N N 256 110.725 113.290 -2.565 1 1 395 . 19 1 1 A 44 44 ILE H H 257 7.403 7.264 0.139 1 1 396 . 19 1 1 A 44 44 ILE HA H 257 3.806 4.566 -0.760 1 1 406 . 19 1 1 A 44 44 ILE C C 257 174.321 173.506 0.815 1 1 407 . 19 1 1 A 44 44 ILE CA C 257 61.640 59.606 2.034 1 1 408 . 19 1 1 A 44 44 ILE CB C 257 38.324 41.507 -3.183 1 1 412 . 19 1 1 A 44 44 ILE N N 257 124.717 120.410 4.307 1 1 413 . 19 1 1 A 45 45 ARG H H 258 8.043 8.606 -0.563 1 1 414 . 19 1 1 A 45 45 ARG HA H 258 4.201 4.518 -0.317 1 1 421 . 19 1 1 A 45 45 ARG C C 258 177.535 175.236 2.299 1 1 422 . 19 1 1 A 45 45 ARG CA C 258 55.412 54.814 0.598 1 1 423 . 19 1 1 A 45 45 ARG CB C 258 31.546 32.876 -1.330 1 1 426 . 19 1 1 A 45 45 ARG N N 258 124.319 127.779 -3.460 1 1 427 . 19 1 1 A 46 46 ASP H H 259 8.584 8.867 -0.283 1 1 428 . 19 1 1 A 46 46 ASP HA H 259 5.096 4.828 0.268 1 1 431 . 19 1 1 A 46 46 ASP C C 259 177.819 176.436 1.383 1 1 432 . 19 1 1 A 46 46 ASP CA C 259 55.248 54.147 1.101 1 1 433 . 19 1 1 A 46 46 ASP CB C 259 39.614 40.921 -1.307 1 1 434 . 19 1 1 A 46 46 ASP N N 259 120.371 125.517 -5.146 1 1 435 . 19 1 1 A 47 47 ARG H H 260 8.632 7.740 0.892 1 1 442 . 19 1 1 A 47 47 ARG CA C 260 56.228 58.960 -2.732 1 1 443 . 19 1 1 A 47 47 ARG CB C 260 26.981 29.962 -2.981 1 1 445 . 19 1 1 A 47 47 ARG N N 260 123.120 121.345 1.775 1 1 447 . 19 1 1 A 51 51 HIS HA H 264 4.293 4.246 0.047 1 1 451 . 19 1 1 A 51 51 HIS C C 264 178.002 175.693 2.309 1 1 452 . 19 1 1 A 51 51 HIS CA C 264 60.062 59.140 0.922 1 1 453 . 19 1 1 A 51 51 HIS CB C 264 29.109 29.070 0.039 1 1 455 . 19 1 1 A 52 52 LEU H H 265 7.474 7.605 -0.131 1 1 456 . 19 1 1 A 52 52 LEU HA H 265 4.125 3.833 0.292 1 1 466 . 19 1 1 A 52 52 LEU C C 265 180.623 176.344 4.279 1 1 467 . 19 1 1 A 52 52 LEU CA C 265 56.921 56.416 0.505 1 1 468 . 19 1 1 A 52 52 LEU CB C 265 40.572 40.457 0.115 1 1 472 . 19 1 1 A 52 52 LEU N N 265 122.692 116.035 6.657 1 1 473 . 19 1 1 A 53 53 ASP H H 266 6.993 8.595 -1.602 1 1 474 . 19 1 1 A 53 53 ASP C C 266 176.536 176.447 0.089 1 1 475 . 19 1 1 A 53 53 ASP CA C 266 56.718 55.134 1.584 1 1 476 . 19 1 1 A 53 53 ASP CB C 266 39.787 39.356 0.431 1 1 477 . 19 1 1 A 53 53 ASP N N 266 122.192 119.009 3.183 1 1 478 . 19 1 1 A 54 54 ALA H H 267 8.217 8.255 -0.038 1 1 479 . 19 1 1 A 54 54 ALA HA H 267 3.840 4.200 -0.360 1 1 483 . 19 1 1 A 54 54 ALA C C 267 180.507 179.872 0.635 1 1 484 . 19 1 1 A 54 54 ALA CA C 267 55.836 55.092 0.744 1 1 485 . 19 1 1 A 54 54 ALA CB C 267 17.386 19.168 -1.782 1 1 486 . 19 1 1 A 54 54 ALA N N 267 121.612 120.572 1.040 1 1 487 . 19 1 1 A 55 55 GLY H H 268 8.481 8.285 0.196 1 1 488 . 19 1 1 A 55 55 GLY C C 268 174.929 176.351 -1.422 1 1 489 . 19 1 1 A 55 55 GLY CA C 268 46.546 46.981 -0.435 1 1 490 . 19 1 1 A 55 55 GLY N N 268 107.453 107.321 0.132 1 1 491 . 19 1 1 A 56 56 ALA H H 269 7.759 8.063 -0.304 1 1 492 . 19 1 1 A 56 56 ALA HA H 269 4.190 4.040 0.150 1 1 496 . 19 1 1 A 56 56 ALA C C 269 180.493 178.856 1.637 1 1 497 . 19 1 1 A 56 56 ALA CA C 269 55.311 54.536 0.775 1 1 498 . 19 1 1 A 56 56 ALA CB C 269 17.951 18.408 -0.457 1 1 499 . 19 1 1 A 56 56 ALA N N 269 125.518 124.486 1.032 1 1 500 . 19 1 1 A 57 57 LEU H H 270 8.224 7.778 0.446 1 1 501 . 19 1 1 A 57 57 LEU HA H 270 3.840 4.237 -0.397 1 1 506 . 19 1 1 A 57 57 LEU C C 270 177.499 178.774 -1.275 1 1 507 . 19 1 1 A 57 57 LEU CA C 270 58.315 56.303 2.012 1 1 508 . 19 1 1 A 57 57 LEU CB C 270 43.182 42.343 0.839 1 1 511 . 19 1 1 A 57 57 LEU N N 270 121.610 117.802 3.808 1 1 512 . 19 1 1 A 58 58 THR H H 271 7.976 7.918 0.058 1 1 513 . 19 1 1 A 58 58 THR HA H 271 4.432 4.011 0.421 1 1 518 . 19 1 1 A 58 58 THR C C 271 174.457 175.822 -1.365 1 1 519 . 19 1 1 A 58 58 THR CA C 271 68.788 66.170 2.618 1 1 520 . 19 1 1 A 58 58 THR CB C 271 67.557 69.010 -1.453 1 1 522 . 19 1 1 A 58 58 THR N N 271 115.528 115.254 0.274 1 1 523 . 19 1 1 A 59 59 THR H H 272 8.085 8.585 -0.500 1 1 524 . 19 1 1 A 59 59 THR HA H 272 3.911 3.960 -0.049 1 1 529 . 19 1 1 A 59 59 THR C C 272 176.131 176.702 -0.571 1 1 530 . 19 1 1 A 59 59 THR CA C 272 65.908 65.573 0.335 1 1 531 . 19 1 1 A 59 59 THR CB C 272 69.045 68.882 0.163 1 1 533 . 19 1 1 A 59 59 THR N N 272 114.864 114.518 0.346 1 1 534 . 19 1 1 A 60 60 THR H H 273 7.875 7.856 0.019 1 1 535 . 19 1 1 A 60 60 THR HA H 273 3.423 3.772 -0.349 1 1 540 . 19 1 1 A 60 60 THR C C 273 175.166 175.751 -0.585 1 1 541 . 19 1 1 A 60 60 THR CA C 273 67.291 66.576 0.715 1 1 542 . 19 1 1 A 60 60 THR CB C 273 68.824 68.633 0.191 1 1 544 . 19 1 1 A 60 60 THR N N 273 116.718 116.494 0.224 1 1 545 . 19 1 1 A 61 61 PHE H H 274 8.219 7.631 0.588 1 1 546 . 19 1 1 A 61 61 PHE HA H 274 4.213 4.134 0.079 1 1 552 . 19 1 1 A 61 61 PHE C C 274 178.034 178.054 -0.020 1 1 553 . 19 1 1 A 61 61 PHE CA C 274 63.308 60.361 2.947 1 1 554 . 19 1 1 A 61 61 PHE CB C 274 37.080 40.107 -3.027 1 1 558 . 19 1 1 A 61 61 PHE N N 274 114.721 118.113 -3.392 1 1 559 . 19 1 1 A 62 62 GLU H H 275 8.810 8.588 0.222 1 1 560 . 19 1 1 A 62 62 GLU HA H 275 4.416 4.082 0.334 1 1 565 . 19 1 1 A 62 62 GLU C C 275 181.232 179.352 1.880 1 1 566 . 19 1 1 A 62 62 GLU CA C 275 60.190 59.995 0.195 1 1 567 . 19 1 1 A 62 62 GLU CB C 275 28.990 28.908 0.082 1 1 569 . 19 1 1 A 62 62 GLU N N 275 123.787 121.033 2.754 1 1 570 . 19 1 1 A 63 63 GLU H H 276 7.698 8.999 -1.301 1 1 571 . 19 1 1 A 63 63 GLU HA H 276 3.871 4.055 -0.184 1 1 575 . 19 1 1 A 63 63 GLU C C 276 176.721 177.259 -0.538 1 1 576 . 19 1 1 A 63 63 GLU CA C 276 58.821 58.630 0.191 1 1 577 . 19 1 1 A 63 63 GLU CB C 276 29.251 28.360 0.891 1 1 579 . 19 1 1 A 63 63 GLU N N 276 120.707 117.189 3.518 1 1 580 . 19 1 1 A 64 64 LEU H H 277 6.708 7.662 -0.954 1 1 581 . 19 1 1 A 64 64 LEU HA H 277 4.148 4.489 -0.341 1 1 589 . 19 1 1 A 64 64 LEU C C 277 174.571 176.191 -1.620 1 1 590 . 19 1 1 A 64 64 LEU CA C 277 54.060 54.620 -0.560 1 1 594 . 19 1 1 A 64 64 LEU N N 277 115.451 118.440 -2.989 1 1 595 . 19 1 1 A 65 65 HIS H H 278 7.388 8.101 -0.713 1 1 596 . 19 1 1 A 65 65 HIS HA H 278 4.259 4.222 0.037 1 1 599 . 19 1 1 A 65 65 HIS C C 278 174.571 173.846 0.725 1 1 600 . 19 1 1 A 65 65 HIS CA C 278 57.737 56.786 0.951 1 1 601 . 19 1 1 A 65 65 HIS CB C 278 26.020 26.749 -0.729 1 1 602 . 19 1 1 A 65 65 HIS N N 278 107.287 115.528 -8.241 1 1 603 . 19 1 1 A 66 66 PHE H H 279 8.554 7.999 0.555 1 1 604 . 19 1 1 A 66 66 PHE HA H 279 4.462 5.137 -0.675 1 1 610 . 19 1 1 A 66 66 PHE C C 279 174.258 174.891 -0.633 1 1 611 . 19 1 1 A 66 66 PHE CA C 279 58.032 56.847 1.185 1 1 612 . 19 1 1 A 66 66 PHE CB C 279 39.809 43.112 -3.303 1 1 616 . 19 1 1 A 66 66 PHE N N 279 117.992 117.536 0.456 1 1 617 . 19 1 1 A 67 67 GLU H H 280 8.403 8.917 -0.514 1 1 618 . 19 1 1 A 67 67 GLU HA H 280 4.631 4.713 -0.082 1 1 621 . 19 1 1 A 67 67 GLU C C 280 174.640 175.036 -0.396 1 1 622 . 19 1 1 A 67 67 GLU CA C 280 55.467 55.274 0.193 1 1 623 . 19 1 1 A 67 67 GLU CB C 280 30.671 29.776 0.895 1 1 625 . 19 1 1 A 67 67 GLU N N 280 120.980 119.809 1.171 1 1 626 . 19 1 1 A 68 68 ILE H H 281 8.988 8.786 0.202 1 1 627 . 19 1 1 A 68 68 ILE HA H 281 4.491 4.657 -0.166 1 1 636 . 19 1 1 A 68 68 ILE C C 281 176.177 175.035 1.142 1 1 637 . 19 1 1 A 68 68 ILE CA C 281 59.688 60.170 -0.482 1 1 638 . 19 1 1 A 68 68 ILE CB C 281 35.090 38.432 -3.342 1 1 642 . 19 1 1 A 68 68 ILE N N 281 127.994 126.018 1.976 1 1 643 . 19 1 1 A 69 69 LYS H H 282 8.559 8.158 0.401 1 1 644 . 19 1 1 A 69 69 LYS HA H 282 4.981 4.899 0.082 1 1 645 . 19 1 1 A 69 69 LYS CA C 282 50.465 53.664 -3.199 1 1 646 . 19 1 1 A 69 69 LYS CB C 282 32.762 33.246 -0.484 1 1 649 . 19 1 1 A 69 69 LYS N N 282 126.350 127.418 -1.068 1 1 650 . 19 1 1 A 70 70 PRO HA H 283 5.133 4.979 0.154 1 1 651 . 19 1 1 A 70 70 PRO C C 283 176.378 175.697 0.681 1 1 652 . 19 1 1 A 70 70 PRO CA C 283 62.027 62.357 -0.330 1 1 653 . 19 1 1 A 70 70 PRO CB C 283 32.856 32.614 0.242 1 1 655 . 19 1 1 A 71 71 HIS H H 284 8.967 9.080 -0.113 1 1 656 . 19 1 1 A 71 71 HIS HA H 284 4.465 5.018 -0.553 1 1 660 . 19 1 1 A 71 71 HIS C C 284 172.714 174.850 -2.136 1 1 661 . 19 1 1 A 71 71 HIS CA C 284 55.994 54.607 1.387 1 1 662 . 19 1 1 A 71 71 HIS CB C 284 33.678 30.633 3.045 1 1 664 . 19 1 1 A 71 71 HIS N N 284 121.708 121.075 0.633 1 1 665 . 19 1 1 A 72 72 ASP H H 285 8.625 8.692 -0.067 1 1 666 . 19 1 1 A 72 72 ASP HA H 285 5.695 4.812 0.883 1 1 669 . 19 1 1 A 72 72 ASP C C 285 175.881 175.753 0.128 1 1 670 . 19 1 1 A 72 72 ASP CA C 285 53.201 53.188 0.013 1 1 671 . 19 1 1 A 72 72 ASP CB C 285 43.758 41.724 2.034 1 1 672 . 19 1 1 A 72 72 ASP N N 285 122.941 124.313 -1.372 1 1 673 . 19 1 1 A 73 73 ASP H H 286 9.212 8.855 0.357 1 1 674 . 19 1 1 A 73 73 ASP HA H 286 4.263 4.123 0.140 1 1 676 . 19 1 1 A 73 73 ASP C C 286 174.368 175.390 -1.022 1 1 677 . 19 1 1 A 73 73 ASP CA C 286 56.488 54.882 1.606 1 1 678 . 19 1 1 A 73 73 ASP CB C 286 39.083 39.553 -0.470 1 1 679 . 19 1 1 A 73 73 ASP N N 286 119.175 119.063 0.112 1 1 680 . 19 1 1 A 74 74 CYS H H 287 8.750 7.538 1.212 1 1 681 . 19 1 1 A 74 74 CYS HA H 287 4.854 5.128 -0.274 1 1 684 . 19 1 1 A 74 74 CYS C C 287 176.146 173.350 2.796 1 1 685 . 19 1 1 A 74 74 CYS CA C 287 58.552 58.465 0.087 1 1 686 . 19 1 1 A 74 74 CYS CB C 287 53.204 30.161 23.043 1 1 687 . 19 1 1 A 74 74 CYS N N 287 119.631 114.056 5.575 1 1 688 . 19 1 1 A 75 75 THR H H 288 8.535 8.728 -0.193 1 1 689 . 19 1 1 A 75 75 THR HA H 288 4.163 4.445 -0.282 1 1 694 . 19 1 1 A 75 75 THR C C 288 174.663 176.358 -1.695 1 1 695 . 19 1 1 A 75 75 THR CA C 288 61.353 61.237 0.116 1 1 696 . 19 1 1 A 75 75 THR CB C 288 70.100 70.668 -0.568 1 1 698 . 19 1 1 A 75 75 THR N N 288 115.998 117.867 -1.869 1 1 699 . 19 1 1 A 76 76 VAL H H 289 8.083 8.652 -0.569 1 1 700 . 19 1 1 A 76 76 VAL HA H 289 3.414 3.384 0.030 1 1 708 . 19 1 1 A 76 76 VAL C C 289 176.443 177.162 -0.719 1 1 709 . 19 1 1 A 76 76 VAL CA C 289 69.066 66.293 2.773 1 1 710 . 19 1 1 A 76 76 VAL CB C 289 30.361 31.208 -0.847 1 1 713 . 19 1 1 A 76 76 VAL N N 289 120.599 122.520 -1.921 1 1 714 . 19 1 1 A 77 77 GLU H H 290 9.095 8.258 0.837 1 1 715 . 19 1 1 A 77 77 GLU HA H 290 4.027 3.631 0.396 1 1 720 . 19 1 1 A 77 77 GLU C C 290 179.172 178.228 0.944 1 1 721 . 19 1 1 A 77 77 GLU CA C 290 59.831 59.497 0.334 1 1 722 . 19 1 1 A 77 77 GLU CB C 290 29.493 29.024 0.469 1 1 724 . 19 1 1 A 77 77 GLU N N 290 119.191 119.621 -0.430 1 1 725 . 19 1 1 A 78 78 GLN H H 291 7.523 7.667 -0.144 1 1 726 . 19 1 1 A 78 78 GLN HA H 291 4.079 4.170 -0.091 1 1 731 . 19 1 1 A 78 78 GLN C C 291 177.815 178.244 -0.429 1 1 732 . 19 1 1 A 78 78 GLN CA C 291 58.920 58.116 0.804 1 1 734 . 19 1 1 A 78 78 GLN N N 291 117.101 117.842 -0.741 1 1 735 . 19 1 1 A 79 79 ILE H H 292 8.368 7.686 0.682 1 1 736 . 19 1 1 A 79 79 ILE HA H 292 3.427 3.669 -0.242 1 1 746 . 19 1 1 A 79 79 ILE C C 292 177.133 178.060 -0.927 1 1 747 . 19 1 1 A 79 79 ILE CA C 292 67.132 64.637 2.495 1 1 748 . 19 1 1 A 79 79 ILE CB C 292 37.163 37.211 -0.048 1 1 752 . 19 1 1 A 79 79 ILE N N 292 120.006 120.422 -0.416 1 1 753 . 19 1 1 A 80 80 TYR H H 293 8.302 7.267 1.035 1 1 754 . 19 1 1 A 80 80 TYR HA H 293 4.179 4.359 -0.180 1 1 759 . 19 1 1 A 80 80 TYR C C 293 178.907 178.814 0.093 1 1 760 . 19 1 1 A 80 80 TYR CA C 293 61.737 60.635 1.102 1 1 761 . 19 1 1 A 80 80 TYR CB C 293 37.201 37.773 -0.572 1 1 764 . 19 1 1 A 80 80 TYR N N 293 116.291 120.930 -4.639 1 1 765 . 19 1 1 A 81 81 GLU H H 294 8.170 9.080 -0.910 1 1 766 . 19 1 1 A 81 81 GLU HA H 294 4.036 4.127 -0.091 1 1 771 . 19 1 1 A 81 81 GLU C C 294 178.414 178.337 0.077 1 1 772 . 19 1 1 A 81 81 GLU CA C 294 59.768 58.960 0.808 1 1 773 . 19 1 1 A 81 81 GLU CB C 294 29.489 28.272 1.217 1 1 775 . 19 1 1 A 81 81 GLU N N 294 120.325 117.168 3.157 1 1 776 . 19 1 1 A 82 82 ILE H H 295 8.501 7.688 0.813 1 1 777 . 19 1 1 A 82 82 ILE HA H 295 3.675 4.018 -0.343 1 1 787 . 19 1 1 A 82 82 ILE C C 295 177.751 178.031 -0.280 1 1 788 . 19 1 1 A 82 82 ILE CA C 295 65.288 63.818 1.470 1 1 789 . 19 1 1 A 82 82 ILE CB C 295 38.497 38.120 0.377 1 1 793 . 19 1 1 A 82 82 ILE N N 295 120.434 120.573 -0.139 1 1 794 . 19 1 1 A 83 83 LEU H H 296 8.508 8.140 0.368 1 1 795 . 19 1 1 A 83 83 LEU HA H 296 4.289 3.712 0.577 1 1 805 . 19 1 1 A 83 83 LEU C C 296 178.393 178.724 -0.331 1 1 806 . 19 1 1 A 83 83 LEU CA C 296 58.937 58.274 0.663 1 1 807 . 19 1 1 A 83 83 LEU CB C 296 39.626 41.794 -2.168 1 1 811 . 19 1 1 A 83 83 LEU N N 296 116.807 121.084 -4.277 1 1 812 . 19 1 1 A 84 84 LYS H H 297 8.048 8.199 -0.151 1 1 813 . 19 1 1 A 84 84 LYS HA H 297 3.967 4.098 -0.131 1 1 820 . 19 1 1 A 84 84 LYS C C 297 177.773 179.079 -1.306 1 1 821 . 19 1 1 A 84 84 LYS CA C 297 58.890 58.913 -0.023 1 1 822 . 19 1 1 A 84 84 LYS CB C 297 31.169 32.296 -1.127 1 1 826 . 19 1 1 A 84 84 LYS N N 297 118.687 117.603 1.084 1 1 827 . 19 1 1 A 85 85 ILE H H 298 7.694 7.895 -0.201 1 1 828 . 19 1 1 A 85 85 ILE HA H 298 3.456 3.772 -0.316 1 1 838 . 19 1 1 A 85 85 ILE C C 298 179.100 177.918 1.182 1 1 839 . 19 1 1 A 85 85 ILE CA C 298 65.307 64.924 0.383 1 1 840 . 19 1 1 A 85 85 ILE CB C 298 36.965 37.229 -0.264 1 1 844 . 19 1 1 A 85 85 ILE N N 298 118.157 121.061 -2.904 1 1 845 . 19 1 1 A 86 86 TYR H H 299 7.613 7.922 -0.309 1 1 846 . 19 1 1 A 86 86 TYR HA H 299 4.103 4.412 -0.309 1 1 851 . 19 1 1 A 86 86 TYR C C 299 177.425 178.180 -0.755 1 1 852 . 19 1 1 A 86 86 TYR CA C 299 63.129 60.419 2.710 1 1 853 . 19 1 1 A 86 86 TYR CB C 299 38.745 38.048 0.697 1 1 856 . 19 1 1 A 86 86 TYR N N 299 115.499 120.425 -4.926 1 1 857 . 19 1 1 A 87 87 GLN H H 300 9.112 8.301 0.811 1 1 858 . 19 1 1 A 87 87 GLN HA H 300 3.977 4.319 -0.342 1 1 861 . 19 1 1 A 87 87 GLN C C 300 176.380 176.697 -0.317 1 1 862 . 19 1 1 A 87 87 GLN CA C 300 58.976 57.868 1.108 1 1 863 . 19 1 1 A 87 87 GLN CB C 300 28.819 28.952 -0.133 1 1 865 . 19 1 1 A 87 87 GLN N N 300 125.039 118.401 6.638 1 1 866 . 19 1 1 A 88 88 LEU H H 301 7.536 7.931 -0.395 1 1 867 . 19 1 1 A 88 88 LEU HA H 301 4.309 4.259 0.050 1 1 877 . 19 1 1 A 88 88 LEU C C 301 177.129 178.384 -1.255 1 1 878 . 19 1 1 A 88 88 LEU CA C 301 55.142 55.698 -0.556 1 1 879 . 19 1 1 A 88 88 LEU CB C 301 41.809 42.374 -0.565 1 1 883 . 19 1 1 A 88 88 LEU N N 301 115.623 117.940 -2.317 1 1 884 . 19 1 1 A 89 89 MET H H 302 7.025 8.118 -1.093 1 1 885 . 19 1 1 A 89 89 MET HA H 302 4.031 3.813 0.218 1 1 893 . 19 1 1 A 89 89 MET C C 302 172.664 175.513 -2.849 1 1 894 . 19 1 1 A 89 89 MET CA C 302 55.513 59.001 -3.488 1 1 895 . 19 1 1 A 89 89 MET CB C 302 33.748 32.461 1.287 1 1 898 . 19 1 1 A 89 89 MET N N 302 120.789 118.686 2.103 1 1 899 . 19 1 1 A 90 90 ASP H H 303 8.056 7.946 0.110 1 1 900 . 19 1 1 A 90 90 ASP HA H 303 4.746 4.187 0.559 1 1 903 . 19 1 1 A 90 90 ASP C C 303 177.139 175.156 1.983 1 1 904 . 19 1 1 A 90 90 ASP CA C 303 54.411 55.270 -0.859 1 1 905 . 19 1 1 A 90 90 ASP CB C 303 40.987 39.008 1.979 1 1 906 . 19 1 1 A 90 90 ASP N N 303 117.873 116.305 1.568 1 1 907 . 19 1 1 A 91 91 HIS H H 304 9.371 7.791 1.580 1 1 908 . 19 1 1 A 91 91 HIS HA H 304 4.657 4.417 0.240 1 1 912 . 19 1 1 A 91 91 HIS C C 304 177.332 175.528 1.804 1 1 913 . 19 1 1 A 91 91 HIS CA C 304 56.031 57.025 -0.994 1 1 914 . 19 1 1 A 91 91 HIS CB C 304 31.150 29.730 1.420 1 1 916 . 19 1 1 A 91 91 HIS N N 304 126.666 117.510 9.156 1 1 917 . 19 1 1 A 92 92 SER H H 305 8.952 8.801 0.151 1 1 918 . 19 1 1 A 92 92 SER HA H 305 4.055 4.095 -0.040 1 1 921 . 19 1 1 A 92 92 SER CA C 305 63.687 61.388 2.299 1 1 922 . 19 1 1 A 92 92 SER CB C 305 62.694 63.478 -0.784 1 1 923 . 19 1 1 A 92 92 SER N N 305 118.610 121.056 -2.446 1 1 924 . 19 1 1 A 93 93 ASN H H 306 8.745 7.782 0.963 1 1 925 . 19 1 1 A 93 93 ASN HA H 306 4.803 4.833 -0.030 1 1 928 . 19 1 1 A 93 93 ASN C C 306 173.428 175.963 -2.535 1 1 929 . 19 1 1 A 93 93 ASN CA C 306 53.018 54.067 -1.049 1 1 930 . 19 1 1 A 93 93 ASN CB C 306 38.033 39.928 -1.895 1 1 931 . 19 1 1 A 93 93 ASN N N 306 116.257 116.319 -0.062 1 1 932 . 19 1 1 A 94 94 MET H H 307 7.942 7.907 0.035 1 1 933 . 19 1 1 A 94 94 MET HA H 307 4.683 4.524 0.159 1 1 939 . 19 1 1 A 94 94 MET C C 307 174.640 176.291 -1.651 1 1 940 . 19 1 1 A 94 94 MET CA C 307 53.564 54.916 -1.352 1 1 941 . 19 1 1 A 94 94 MET CB C 307 33.988 32.306 1.682 1 1 944 . 19 1 1 A 94 94 MET N N 307 117.799 118.480 -0.681 1 1 945 . 19 1 1 A 95 95 ASP H H 308 8.276 8.308 -0.032 1 1 946 . 19 1 1 A 95 95 ASP HA H 308 5.172 4.816 0.356 1 1 949 . 19 1 1 A 95 95 ASP C C 308 176.264 175.356 0.908 1 1 950 . 19 1 1 A 95 95 ASP CA C 308 55.617 53.554 2.063 1 1 951 . 19 1 1 A 95 95 ASP CB C 308 45.114 40.600 4.514 1 1 952 . 19 1 1 A 95 95 ASP N N 308 119.567 123.396 -3.829 1 1 953 . 19 1 1 A 96 96 CYS H H 309 8.215 7.743 0.472 1 1 954 . 19 1 1 A 96 96 CYS HA H 309 4.680 5.180 -0.500 1 1 957 . 19 1 1 A 96 96 CYS C C 309 170.157 173.577 -3.420 1 1 958 . 19 1 1 A 96 96 CYS CA C 309 57.203 57.808 -0.605 1 1 959 . 19 1 1 A 96 96 CYS CB C 309 52.974 31.033 21.941 1 1 960 . 19 1 1 A 96 96 CYS N N 309 118.264 118.201 0.063 1 1 961 . 19 1 1 A 97 97 PHE H H 310 8.108 8.861 -0.753 1 1 962 . 19 1 1 A 97 97 PHE HA H 310 5.071 5.615 -0.544 1 1 967 . 19 1 1 A 97 97 PHE C C 310 171.279 172.935 -1.656 1 1 968 . 19 1 1 A 97 97 PHE CA C 310 57.910 56.275 1.635 1 1 969 . 19 1 1 A 97 97 PHE CB C 310 44.724 41.884 2.840 1 1 972 . 19 1 1 A 97 97 PHE N N 310 125.767 120.490 5.277 1 1 973 . 19 1 1 A 98 98 ILE H H 311 7.647 8.684 -1.037 1 1 974 . 19 1 1 A 98 98 ILE HA H 311 4.581 4.947 -0.366 1 1 984 . 19 1 1 A 98 98 ILE C C 311 172.012 174.760 -2.748 1 1 985 . 19 1 1 A 98 98 ILE CA C 311 58.312 59.919 -1.607 1 1 986 . 19 1 1 A 98 98 ILE CB C 311 39.964 42.305 -2.341 1 1 990 . 19 1 1 A 98 98 ILE N N 311 125.102 119.417 5.685 1 1 991 . 19 1 1 A 99 99 CYS H H 312 8.309 9.396 -1.087 1 1 992 . 19 1 1 A 99 99 CYS HA H 312 4.471 5.294 -0.823 1 1 993 . 19 1 1 A 99 99 CYS C C 312 171.965 173.177 -1.212 1 1 994 . 19 1 1 A 99 99 CYS CA C 312 56.347 57.493 -1.146 1 1 995 . 19 1 1 A 99 99 CYS CB C 312 51.093 29.197 21.896 1 1 996 . 19 1 1 A 99 99 CYS N N 312 124.548 126.508 -1.960 1 1 997 . 19 1 1 A 100 100 CYS H H 313 9.116 9.291 -0.175 1 1 998 . 19 1 1 A 100 100 CYS HA H 313 5.880 5.131 0.749 1 1 1001 . 19 1 1 A 100 100 CYS C C 313 173.635 173.747 -0.112 1 1 1002 . 19 1 1 A 100 100 CYS CA C 313 55.906 57.409 -1.503 1 1 1003 . 19 1 1 A 100 100 CYS CB C 313 52.685 28.986 23.699 1 1 1004 . 19 1 1 A 100 100 CYS N N 313 127.015 128.583 -1.568 1 1 1005 . 19 1 1 A 101 101 ILE H H 314 8.896 9.018 -0.122 1 1 1006 . 19 1 1 A 101 101 ILE HA H 314 4.737 4.723 0.014 1 1 1016 . 19 1 1 A 101 101 ILE C C 314 172.277 175.754 -3.477 1 1 1017 . 19 1 1 A 101 101 ILE CA C 314 60.937 60.770 0.167 1 1 1018 . 19 1 1 A 101 101 ILE CB C 314 40.848 39.481 1.367 1 1 1022 . 19 1 1 A 101 101 ILE N N 314 121.994 128.656 -6.662 1 1 1023 . 19 1 1 A 102 102 LEU H H 315 8.951 8.449 0.502 1 1 1024 . 19 1 1 A 102 102 LEU HA H 315 5.285 4.296 0.989 1 1 1029 . 19 1 1 A 102 102 LEU C C 315 174.789 179.351 -4.562 1 1 1030 . 19 1 1 A 102 102 LEU CA C 315 52.489 56.694 -4.205 1 1 1031 . 19 1 1 A 102 102 LEU CB C 315 40.041 41.882 -1.841 1 1 1034 . 19 1 1 A 102 102 LEU N N 315 127.404 129.129 -1.725 1 1 1035 . 19 1 1 A 103 103 SER H H 316 9.096 7.788 1.308 1 1 1036 . 19 1 1 A 103 103 SER HA H 316 4.680 4.372 0.308 1 1 1039 . 19 1 1 A 103 103 SER C C 316 174.555 174.981 -0.426 1 1 1040 . 19 1 1 A 103 103 SER CA C 316 56.403 60.500 -4.097 1 1 1041 . 19 1 1 A 103 103 SER CB C 316 63.224 63.170 0.054 1 1 1042 . 19 1 1 A 103 103 SER N N 316 113.273 112.648 0.625 1 1 1043 . 19 1 1 A 104 104 HIS H H 317 7.515 7.692 -0.177 1 1 1044 . 19 1 1 A 104 104 HIS HA H 317 5.214 4.752 0.462 1 1 1048 . 19 1 1 A 104 104 HIS C C 317 175.667 175.875 -0.208 1 1 1049 . 19 1 1 A 104 104 HIS CA C 317 56.371 56.967 -0.596 1 1 1050 . 19 1 1 A 104 104 HIS CB C 317 34.676 30.724 3.952 1 1 1052 . 19 1 1 A 104 104 HIS N N 317 114.740 121.354 -6.614 1 1 1053 . 19 1 1 A 105 105 GLY H H 318 8.368 8.415 -0.047 1 1 1054 . 19 1 1 A 105 105 GLY C C 318 169.470 175.112 -5.642 1 1 1055 . 19 1 1 A 105 105 GLY CA C 318 45.558 47.051 -1.493 1 1 1056 . 19 1 1 A 105 105 GLY N N 318 107.330 113.771 -6.441 1 1 1057 . 19 1 1 A 106 106 ASP H H 319 7.943 8.154 -0.211 1 1 1058 . 19 1 1 A 106 106 ASP HA H 319 4.622 5.007 -0.385 1 1 1061 . 19 1 1 A 106 106 ASP C C 319 175.179 174.816 0.363 1 1 1062 . 19 1 1 A 106 106 ASP CA C 319 53.188 55.516 -2.328 1 1 1063 . 19 1 1 A 106 106 ASP CB C 319 43.555 42.435 1.120 1 1 1064 . 19 1 1 A 106 106 ASP N N 319 116.893 120.675 -3.782 1 1 1065 . 19 1 1 A 107 107 LYS H H 320 9.376 7.907 1.469 1 1 1066 . 19 1 1 A 107 107 LYS HA H 320 3.956 4.724 -0.768 1 1 1075 . 19 1 1 A 107 107 LYS C C 320 176.864 176.847 0.017 1 1 1076 . 19 1 1 A 107 107 LYS CA C 320 58.567 55.240 3.327 1 1 1077 . 19 1 1 A 107 107 LYS CB C 320 30.568 34.416 -3.848 1 1 1081 . 19 1 1 A 107 107 LYS N N 320 122.539 117.488 5.051 1 1 1082 . 19 1 1 A 108 108 GLY H H 321 9.025 8.657 0.368 1 1 1083 . 19 1 1 A 108 108 GLY C C 321 173.633 174.584 -0.951 1 1 1084 . 19 1 1 A 108 108 GLY CA C 321 45.491 46.758 -1.267 1 1 1085 . 19 1 1 A 108 108 GLY N N 321 111.919 113.980 -2.061 1 1 1086 . 19 1 1 A 109 109 ILE H H 322 8.157 7.727 0.430 1 1 1087 . 19 1 1 A 109 109 ILE HA H 322 4.994 4.311 0.683 1 1 1097 . 19 1 1 A 109 109 ILE C C 322 174.524 175.501 -0.977 1 1 1098 . 19 1 1 A 109 109 ILE CA C 322 59.009 60.809 -1.800 1 1 1099 . 19 1 1 A 109 109 ILE CB C 322 43.375 38.978 4.397 1 1 1103 . 19 1 1 A 109 109 ILE N N 322 116.465 118.974 -2.509 1 1 1104 . 19 1 1 A 110 110 ILE H H 323 8.443 8.274 0.169 1 1 1105 . 19 1 1 A 110 110 ILE HA H 323 4.530 3.844 0.686 1 1 1115 . 19 1 1 A 110 110 ILE C C 323 174.337 176.962 -2.625 1 1 1116 . 19 1 1 A 110 110 ILE CA C 323 58.547 62.409 -3.862 1 1 1117 . 19 1 1 A 110 110 ILE CB C 323 41.604 37.485 4.119 1 1 1121 . 19 1 1 A 110 110 ILE N N 323 116.661 122.599 -5.938 1 1 1122 . 19 1 1 A 111 111 TYR H H 324 8.584 8.468 0.116 1 1 1123 . 19 1 1 A 111 111 TYR HA H 324 5.557 4.430 1.127 1 1 1128 . 19 1 1 A 111 111 TYR C C 324 178.528 176.888 1.640 1 1 1129 . 19 1 1 A 111 111 TYR CA C 324 56.571 57.688 -1.117 1 1 1130 . 19 1 1 A 111 111 TYR CB C 324 39.984 38.264 1.720 1 1 1133 . 19 1 1 A 111 111 TYR N N 324 119.472 126.489 -7.017 1 1 1134 . 19 1 1 A 112 112 GLY H H 325 8.522 8.580 -0.058 1 1 1135 . 19 1 1 A 112 112 GLY C C 325 174.755 173.860 0.895 1 1 1136 . 19 1 1 A 112 112 GLY CA C 325 43.145 47.204 -4.059 1 1 1137 . 19 1 1 A 112 112 GLY N N 325 107.078 109.963 -2.885 1 1 1138 . 19 1 1 A 113 113 THR H H 326 8.245 7.738 0.507 1 1 1139 . 19 1 1 A 113 113 THR HA H 326 3.186 4.624 -1.438 1 1 1144 . 19 1 1 A 113 113 THR C C 326 173.264 174.294 -1.030 1 1 1145 . 19 1 1 A 113 113 THR CA C 326 64.857 60.699 4.158 1 1 1146 . 19 1 1 A 113 113 THR CB C 326 66.749 72.279 -5.530 1 1 1148 . 19 1 1 A 113 113 THR N N 326 113.146 110.248 2.898 1 1 1149 . 19 1 1 A 114 114 ASP H H 327 8.801 9.429 -0.628 1 1 1150 . 19 1 1 A 114 114 ASP HA H 327 4.099 4.213 -0.114 1 1 1153 . 19 1 1 A 114 114 ASP C C 327 176.262 175.348 0.914 1 1 1154 . 19 1 1 A 114 114 ASP CA C 327 52.768 54.955 -2.187 1 1 1155 . 19 1 1 A 114 114 ASP CB C 327 39.312 39.910 -0.598 1 1 1156 . 19 1 1 A 114 114 ASP N N 327 112.026 126.744 -14.718 1 1 1157 . 19 1 1 A 115 115 GLY H H 328 8.462 8.338 0.124 1 1 1158 . 19 1 1 A 115 115 GLY HA2 H 328 4.010 4.044 -0.034 1 1 1159 . 19 1 1 A 115 115 GLY HA3 H 328 4.010 4.051 -0.041 1 1 1160 . 19 1 1 A 115 115 GLY C C 328 171.918 174.781 -2.863 1 1 1161 . 19 1 1 A 115 115 GLY CA C 328 45.463 45.132 0.331 1 1 1162 . 19 1 1 A 115 115 GLY N N 328 107.749 105.228 2.521 1 1 1163 . 19 1 1 A 116 116 GLN H H 329 6.657 8.026 -1.369 1 1 1164 . 19 1 1 A 116 116 GLN HA H 329 4.441 4.421 0.020 1 1 1170 . 19 1 1 A 116 116 GLN C C 329 174.196 175.021 -0.825 1 1 1171 . 19 1 1 A 116 116 GLN CA C 329 55.204 55.208 -0.004 1 1 1172 . 19 1 1 A 116 116 GLN CB C 329 28.541 29.887 -1.346 1 1 1174 . 19 1 1 A 116 116 GLN N N 329 115.146 119.336 -4.190 1 1 1176 . 19 1 1 A 117 117 GLU H H 330 8.624 8.679 -0.055 1 1 1177 . 19 1 1 A 117 117 GLU HA H 330 4.733 4.757 -0.024 1 1 1178 . 19 1 1 A 117 117 GLU C C 330 175.357 174.245 1.112 1 1 1179 . 19 1 1 A 117 117 GLU CA C 330 55.191 55.361 -0.170 1 1 1180 . 19 1 1 A 117 117 GLU CB C 330 32.586 33.237 -0.651 1 1 1182 . 19 1 1 A 117 117 GLU N N 330 119.031 119.493 -0.462 1 1 1183 . 19 1 1 A 118 118 ALA H H 331 8.995 8.795 0.200 1 1 1184 . 19 1 1 A 118 118 ALA HA H 331 5.165 5.113 0.052 1 1 1188 . 19 1 1 A 118 118 ALA C C 331 173.650 174.574 -0.924 1 1 1189 . 19 1 1 A 118 118 ALA CA C 331 48.343 49.778 -1.435 1 1 1190 . 19 1 1 A 118 118 ALA CB C 331 20.353 22.573 -2.220 1 1 1191 . 19 1 1 A 118 118 ALA N N 331 123.550 124.110 -0.560 1 1 1192 . 19 1 1 A 119 119 PRO HA H 332 4.819 4.792 0.027 1 1 1193 . 19 1 1 A 119 119 PRO C C 332 177.819 177.983 -0.164 1 1 1194 . 19 1 1 A 119 119 PRO CA C 332 62.007 62.833 -0.826 1 1 1195 . 19 1 1 A 119 119 PRO CB C 332 32.081 31.796 0.285 1 1 1197 . 19 1 1 A 120 120 ILE H H 333 8.574 8.980 -0.406 1 1 1198 . 19 1 1 A 120 120 ILE HA H 333 3.278 3.860 -0.582 1 1 1206 . 19 1 1 A 120 120 ILE C C 333 177.316 177.242 0.074 1 1 1207 . 19 1 1 A 120 120 ILE CA C 333 66.025 63.999 2.026 1 1 1208 . 19 1 1 A 120 120 ILE CB C 333 37.991 37.606 0.385 1 1 1212 . 19 1 1 A 120 120 ILE N N 333 126.740 125.778 0.962 1 1 1213 . 19 1 1 A 121 121 TYR H H 334 9.192 7.908 1.284 1 1 1214 . 19 1 1 A 121 121 TYR HA H 334 3.942 4.486 -0.544 1 1 1219 . 19 1 1 A 121 121 TYR C C 334 177.847 176.527 1.320 1 1 1220 . 19 1 1 A 121 121 TYR CA C 334 60.688 61.353 -0.665 1 1 1221 . 19 1 1 A 121 121 TYR CB C 334 38.803 37.517 1.286 1 1 1224 . 19 1 1 A 121 121 TYR N N 334 117.479 120.907 -3.428 1 1 1225 . 19 1 1 A 122 122 GLU H H 335 7.178 8.172 -0.994 1 1 1226 . 19 1 1 A 122 122 GLU HA H 335 3.751 4.652 -0.901 1 1 1228 . 19 1 1 A 122 122 GLU C C 335 176.427 178.726 -2.299 1 1 1229 . 19 1 1 A 122 122 GLU CA C 335 58.378 57.462 0.916 1 1 1230 . 19 1 1 A 122 122 GLU CB C 335 29.477 32.184 -2.707 1 1 1232 . 19 1 1 A 122 122 GLU N N 335 115.885 119.790 -3.905 1 1 1233 . 19 1 1 A 123 123 LEU H H 336 7.440 7.919 -0.479 1 1 1234 . 19 1 1 A 123 123 LEU HA H 336 4.123 3.946 0.177 1 1 1244 . 19 1 1 A 123 123 LEU C C 336 177.925 179.106 -1.181 1 1 1245 . 19 1 1 A 123 123 LEU CA C 336 56.646 57.947 -1.301 1 1 1246 . 19 1 1 A 123 123 LEU CB C 336 40.661 42.369 -1.708 1 1 1250 . 19 1 1 A 123 123 LEU N N 336 115.934 120.316 -4.382 1 1 1251 . 19 1 1 A 124 124 THR H H 337 8.009 8.131 -0.122 1 1 1252 . 19 1 1 A 124 124 THR HA H 337 3.597 4.161 -0.564 1 1 1257 . 19 1 1 A 124 124 THR C C 337 177.568 175.964 1.604 1 1 1258 . 19 1 1 A 124 124 THR CA C 337 64.110 63.531 0.579 1 1 1259 . 19 1 1 A 124 124 THR CB C 337 67.603 68.651 -1.048 1 1 1261 . 19 1 1 A 124 124 THR N N 337 107.827 108.680 -0.853 1 1 1262 . 19 1 1 A 125 125 SER H H 338 7.435 7.832 -0.397 1 1 1263 . 19 1 1 A 125 125 SER HA H 338 3.723 4.499 -0.776 1 1 1266 . 19 1 1 A 125 125 SER C C 338 174.040 175.256 -1.216 1 1 1267 . 19 1 1 A 125 125 SER CA C 338 60.514 59.794 0.720 1 1 1268 . 19 1 1 A 125 125 SER CB C 338 62.391 62.548 -0.157 1 1 1269 . 19 1 1 A 125 125 SER N N 338 112.670 117.407 -4.737 1 1 1270 . 19 1 1 A 126 126 GLN H H 339 7.071 7.526 -0.455 1 1 1271 . 19 1 1 A 126 126 GLN HA H 339 3.850 4.208 -0.358 1 1 1276 . 19 1 1 A 126 126 GLN C C 339 173.915 177.285 -3.370 1 1 1277 . 19 1 1 A 126 126 GLN CA C 339 56.106 57.956 -1.850 1 1 1278 . 19 1 1 A 126 126 GLN CB C 339 27.028 29.008 -1.980 1 1 1280 . 19 1 1 A 126 126 GLN N N 339 117.347 119.208 -1.861 1 1 1281 . 19 1 1 A 127 127 PHE H H 340 7.355 6.762 0.593 1 1 1282 . 19 1 1 A 127 127 PHE HA H 340 4.515 4.843 -0.328 1 1 1285 . 19 1 1 A 127 127 PHE C C 340 175.241 175.992 -0.751 1 1 1286 . 19 1 1 A 127 127 PHE CA C 340 57.914 57.209 0.705 1 1 1287 . 19 1 1 A 127 127 PHE CB C 340 38.496 39.344 -0.848 1 1 1288 . 19 1 1 A 127 127 PHE N N 340 110.412 113.519 -3.107 1 1 1289 . 19 1 1 A 128 128 THR H H 341 6.785 7.289 -0.504 1 1 1290 . 19 1 1 A 128 128 THR HA H 341 4.294 4.179 0.115 1 1 1295 . 19 1 1 A 128 128 THR C C 341 174.727 176.458 -1.731 1 1 1296 . 19 1 1 A 128 128 THR CA C 341 62.016 63.841 -1.825 1 1 1297 . 19 1 1 A 128 128 THR CB C 341 69.757 69.552 0.205 1 1 1299 . 19 1 1 A 128 128 THR N N 341 107.455 116.443 -8.988 1 1 1300 . 19 1 1 A 129 129 GLY H H 342 10.506 8.849 1.657 1 1 1301 . 19 1 1 A 129 129 GLY HA2 H 342 3.841 3.927 -0.086 1 1 1302 . 19 1 1 A 129 129 GLY HA3 H 342 3.648 3.937 -0.289 1 1 1303 . 19 1 1 A 129 129 GLY C C 342 175.631 174.690 0.941 1 1 1304 . 19 1 1 A 129 129 GLY CA C 342 47.056 46.711 0.345 1 1 1305 . 19 1 1 A 129 129 GLY N N 342 111.023 113.807 -2.784 1 1 1306 . 19 1 1 A 130 130 LEU H H 343 8.003 7.934 0.069 1 1 1307 . 19 1 1 A 130 130 LEU HA H 343 4.135 4.441 -0.306 1 1 1317 . 19 1 1 A 130 130 LEU C C 343 178.627 177.328 1.299 1 1 1318 . 19 1 1 A 130 130 LEU CA C 343 56.606 54.992 1.614 1 1 1319 . 19 1 1 A 130 130 LEU CB C 343 42.399 42.186 0.213 1 1 1323 . 19 1 1 A 130 130 LEU N N 343 116.983 119.370 -2.387 1 1 1324 . 19 1 1 A 131 131 LYS H H 344 6.961 8.015 -1.054 1 1 1325 . 19 1 1 A 131 131 LYS HA H 344 4.001 4.492 -0.491 1 1 1333 . 19 1 1 A 131 131 LYS C C 344 176.224 176.851 -0.627 1 1 1334 . 19 1 1 A 131 131 LYS CA C 344 57.534 56.439 1.095 1 1 1335 . 19 1 1 A 131 131 LYS CB C 344 33.404 35.262 -1.858 1 1 1339 . 19 1 1 A 131 131 LYS N N 344 116.907 115.836 1.071 1 1 1340 . 19 1 1 A 132 132 CYS H H 345 8.564 8.242 0.322 1 1 1341 . 19 1 1 A 132 132 CYS HA H 345 4.930 4.823 0.107 1 1 1344 . 19 1 1 A 132 132 CYS C C 345 172.261 172.932 -0.671 1 1 1345 . 19 1 1 A 132 132 CYS CA C 345 56.566 57.153 -0.587 1 1 1346 . 19 1 1 A 132 132 CYS CB C 345 49.011 27.986 21.025 1 1 1347 . 19 1 1 A 132 132 CYS N N 345 117.718 116.375 1.343 1 1 1348 . 19 1 1 A 133 133 PRO HA H 346 4.719 4.476 0.243 1 1 1354 . 19 1 1 A 133 133 PRO C C 346 179.500 178.282 1.218 1 1 1355 . 19 1 1 A 133 133 PRO CA C 346 62.681 64.434 -1.753 1 1 1356 . 19 1 1 A 133 133 PRO CB C 346 34.366 32.034 2.332 1 1 1359 . 19 1 1 A 134 134 SER H H 347 8.896 8.478 0.418 1 1 1360 . 19 1 1 A 134 134 SER HA H 347 4.415 4.189 0.226 1 1 1363 . 19 1 1 A 134 134 SER C C 347 174.434 175.615 -1.181 1 1 1364 . 19 1 1 A 134 134 SER CA C 347 60.509 61.603 -1.094 1 1 1365 . 19 1 1 A 134 134 SER CB C 347 62.207 62.833 -0.626 1 1 1366 . 19 1 1 A 134 134 SER N N 347 112.882 114.248 -1.366 1 1 1367 . 19 1 1 A 135 135 LEU H H 348 7.549 7.683 -0.134 1 1 1368 . 19 1 1 A 135 135 LEU HA H 348 4.466 4.454 0.012 1 1 1378 . 19 1 1 A 135 135 LEU C C 348 176.458 178.302 -1.844 1 1 1379 . 19 1 1 A 135 135 LEU CA C 348 53.787 55.111 -1.324 1 1 1380 . 19 1 1 A 135 135 LEU CB C 348 44.189 42.495 1.694 1 1 1384 . 19 1 1 A 135 135 LEU N N 348 118.501 120.822 -2.321 1 1 1385 . 19 1 1 A 136 136 ALA H H 349 7.776 7.653 0.123 1 1 1386 . 19 1 1 A 136 136 ALA HA H 349 4.056 4.284 -0.228 1 1 1390 . 19 1 1 A 136 136 ALA C C 349 178.620 180.177 -1.557 1 1 1391 . 19 1 1 A 136 136 ALA CA C 349 54.406 55.358 -0.952 1 1 1392 . 19 1 1 A 136 136 ALA CB C 349 17.934 18.561 -0.627 1 1 1393 . 19 1 1 A 136 136 ALA N N 349 125.801 122.682 3.119 1 1 1394 . 19 1 1 A 137 137 GLY H H 350 9.371 8.368 1.003 1 1 1395 . 19 1 1 A 137 137 GLY C C 350 173.026 174.338 -1.312 1 1 1396 . 19 1 1 A 137 137 GLY CA C 350 45.132 46.382 -1.250 1 1 1397 . 19 1 1 A 137 137 GLY N N 350 111.181 105.960 5.221 1 1 1398 . 19 1 1 A 138 138 LYS H H 351 8.038 7.436 0.602 1 1 1399 . 19 1 1 A 138 138 LYS HA H 351 4.660 4.639 0.021 1 1 1400 . 19 1 1 A 138 138 LYS C C 351 172.078 174.121 -2.043 1 1 1401 . 19 1 1 A 138 138 LYS CA C 351 52.728 53.348 -0.620 1 1 1402 . 19 1 1 A 138 138 LYS CB C 351 32.069 32.432 -0.363 1 1 1404 . 19 1 1 A 138 138 LYS N N 351 119.821 120.193 -0.372 1 1 1405 . 19 1 1 A 139 139 PRO HA H 352 4.300 4.616 -0.316 1 1 1412 . 19 1 1 A 139 139 PRO C C 352 173.954 175.663 -1.709 1 1 1413 . 19 1 1 A 139 139 PRO CA C 352 62.595 62.859 -0.264 1 1 1414 . 19 1 1 A 139 139 PRO CB C 352 31.399 32.752 -1.353 1 1 1417 . 19 1 1 A 140 140 LYS H H 353 8.188 8.624 -0.436 1 1 1418 . 19 1 1 A 140 140 LYS HA H 353 4.610 4.698 -0.088 1 1 1419 . 19 1 1 A 140 140 LYS C C 353 173.494 174.874 -1.380 1 1 1420 . 19 1 1 A 140 140 LYS CA C 353 55.344 54.950 0.394 1 1 1421 . 19 1 1 A 140 140 LYS CB C 353 32.527 35.447 -2.920 1 1 1423 . 19 1 1 A 140 140 LYS N N 353 123.304 120.846 2.458 1 1 1424 . 19 1 1 A 141 141 VAL H H 354 8.344 8.622 -0.278 1 1 1425 . 19 1 1 A 141 141 VAL HA H 354 4.533 5.034 -0.501 1 1 1433 . 19 1 1 A 141 141 VAL C C 354 172.277 175.161 -2.884 1 1 1434 . 19 1 1 A 141 141 VAL CA C 354 60.596 61.158 -0.562 1 1 1435 . 19 1 1 A 141 141 VAL CB C 354 33.580 34.218 -0.638 1 1 1438 . 19 1 1 A 141 141 VAL N N 354 122.550 124.175 -1.625 1 1 1439 . 19 1 1 A 142 142 PHE H H 355 8.985 8.333 0.652 1 1 1440 . 19 1 1 A 142 142 PHE HA H 355 5.436 5.627 -0.191 1 1 1441 . 19 1 1 A 142 142 PHE C C 355 173.666 172.963 0.703 1 1 1442 . 19 1 1 A 142 142 PHE CA C 355 54.968 55.703 -0.735 1 1 1443 . 19 1 1 A 142 142 PHE CB C 355 42.877 42.080 0.797 1 1 1444 . 19 1 1 A 142 142 PHE N N 355 123.850 122.744 1.106 1 1 1445 . 19 1 1 A 143 143 PHE H H 356 8.584 9.101 -0.517 1 1 1446 . 19 1 1 A 143 143 PHE HA H 356 5.934 4.588 1.346 1 1 1449 . 19 1 1 A 143 143 PHE C C 356 174.526 176.084 -1.558 1 1 1450 . 19 1 1 A 143 143 PHE CA C 356 55.909 57.879 -1.970 1 1 1451 . 19 1 1 A 143 143 PHE CB C 356 39.923 38.793 1.130 1 1 1454 . 19 1 1 A 143 143 PHE N N 356 119.801 122.614 -2.813 1 1 1455 . 19 1 1 A 144 144 ILE H H 357 9.020 8.767 0.253 1 1 1456 . 19 1 1 A 144 144 ILE HA H 357 5.040 4.145 0.895 1 1 1466 . 19 1 1 A 144 144 ILE C C 357 173.323 175.728 -2.405 1 1 1467 . 19 1 1 A 144 144 ILE CA C 357 59.479 62.268 -2.789 1 1 1468 . 19 1 1 A 144 144 ILE CB C 357 40.898 38.938 1.960 1 1 1472 . 19 1 1 A 144 144 ILE N N 357 121.194 126.235 -5.041 1 1 1473 . 19 1 1 A 145 145 GLN H H 358 8.856 7.760 1.096 1 1 1474 . 19 1 1 A 145 145 GLN HA H 358 4.670 3.974 0.696 1 1 1475 . 19 1 1 A 145 145 GLN C C 358 171.591 175.768 -4.177 1 1 1476 . 19 1 1 A 145 145 GLN CA C 358 53.648 56.899 -3.251 1 1 1477 . 19 1 1 A 145 145 GLN CB C 358 30.373 26.198 4.175 1 1 1479 . 19 1 1 A 145 145 GLN N N 358 128.880 119.900 8.980 1 1 1480 . 19 1 1 A 146 146 ALA H H 359 8.418 7.762 0.656 1 1 1481 . 19 1 1 A 146 146 ALA HA H 359 5.247 4.280 0.967 1 1 1485 . 19 1 1 A 146 146 ALA C C 359 175.319 177.910 -2.591 1 1 1486 . 19 1 1 A 146 146 ALA CA C 359 50.243 52.883 -2.640 1 1 1487 . 19 1 1 A 146 146 ALA CB C 359 18.786 17.977 0.809 1 1 1488 . 19 1 1 A 146 146 ALA N N 359 128.349 120.178 8.171 1 1 1489 . 19 1 1 A 147 147 ALA H H 360 8.161 7.661 0.500 1 1 1490 . 19 1 1 A 147 147 ALA HA H 360 4.343 4.127 0.216 1 1 1494 . 19 1 1 A 147 147 ALA C C 360 177.238 178.070 -0.832 1 1 1495 . 19 1 1 A 147 147 ALA CA C 360 52.078 55.014 -2.936 1 1 1496 . 19 1 1 A 147 147 ALA CB C 360 20.003 18.766 1.237 1 1 1497 . 19 1 1 A 147 147 ALA N N 360 123.005 120.769 2.236 1 1 1498 . 19 1 1 A 148 148 GLN H H 361 8.461 7.679 0.782 1 1 1499 . 19 1 1 A 148 148 GLN HA H 361 4.663 4.558 0.105 1 1 1504 . 19 1 1 A 148 148 GLN C C 361 176.333 175.322 1.011 1 1 1505 . 19 1 1 A 148 148 GLN CA C 361 55.760 55.614 0.146 1 1 1506 . 19 1 1 A 148 148 GLN CB C 361 29.937 29.814 0.123 1 1 1508 . 19 1 1 A 148 148 GLN N N 361 120.296 118.049 2.247 1 1 1509 . 19 1 1 A 149 149 GLY H H 362 8.631 8.454 0.177 1 1 1510 . 19 1 1 A 149 149 GLY HA2 H 362 3.858 4.299 -0.441 1 1 1511 . 19 1 1 A 149 149 GLY HA3 H 362 3.858 4.300 -0.442 1 1 1512 . 19 1 1 A 149 149 GLY C C 362 172.022 171.542 0.480 1 1 1513 . 19 1 1 A 149 149 GLY CA C 362 44.969 45.480 -0.511 1 1 1514 . 19 1 1 A 149 149 GLY N N 362 109.782 112.999 -3.217 1 1 1515 . 19 1 1 A 150 150 ASP H H 363 7.566 8.478 -0.912 1 1 1516 . 19 1 1 A 150 150 ASP HA H 363 4.661 5.303 -0.642 1 1 1519 . 19 1 1 A 150 150 ASP C C 363 174.446 175.966 -1.520 1 1 1520 . 19 1 1 A 150 150 ASP CA C 363 57.776 52.890 4.886 1 1 1521 . 19 1 1 A 150 150 ASP CB C 363 39.423 43.400 -3.977 1 1 1522 . 19 1 1 A 150 150 ASP N N 363 118.182 120.789 -2.607 1 1 1523 . 19 1 1 A 153 153 GLN HA H 366 4.665 4.967 -0.302 1 1 1530 . 19 1 1 A 153 153 GLN CA C 366 53.779 54.726 -0.947 1 1 1531 . 19 1 1 A 153 153 GLN CB C 366 28.988 30.523 -1.535 1 1 1534 . 19 1 1 A 155 155 GLY HA2 H 368 3.899 3.948 -0.049 1 1 1535 . 19 1 1 A 155 155 GLY HA3 H 368 3.899 3.971 -0.072 1 1 1536 . 19 1 1 A 155 155 GLY CA C 368 45.013 46.001 -0.988 1 1 1537 . 19 1 1 A 156 156 ILE H H 369 7.871 7.693 0.178 1 1 1538 . 19 1 1 A 156 156 ILE HA H 369 4.428 4.818 -0.390 1 1 1548 . 19 1 1 A 156 156 ILE C C 369 174.196 175.409 -1.213 1 1 1549 . 19 1 1 A 156 156 ILE CA C 369 58.676 57.167 1.509 1 1 1550 . 19 1 1 A 156 156 ILE CB C 369 38.516 40.269 -1.753 1 1 1554 . 19 1 1 A 156 156 ILE N N 369 120.958 114.830 6.128 1 1 1555 . 19 1 1 A 157 157 PRO HA H 370 4.386 4.565 -0.179 1 1 1562 . 19 1 1 A 157 157 PRO C C 370 176.218 176.128 0.090 1 1 1563 . 19 1 1 A 157 157 PRO CA C 370 63.431 63.931 -0.500 1 1 1564 . 19 1 1 A 157 157 PRO CB C 370 31.913 32.026 -0.113 1 1 1567 . 19 1 1 A 158 158 VAL H H 371 8.137 7.559 0.578 1 1 1568 . 19 1 1 A 158 158 VAL HA H 371 4.089 4.157 -0.068 1 1 1576 . 19 1 1 A 158 158 VAL C C 371 175.904 175.465 0.439 1 1 1577 . 19 1 1 A 158 158 VAL CA C 371 62.121 61.010 1.111 1 1 1578 . 19 1 1 A 158 158 VAL CB C 371 32.958 32.757 0.201 1 1 1581 . 19 1 1 A 158 158 VAL N N 371 119.640 115.955 3.685 1 1 1582 . 19 1 1 A 159 159 GLU H H 372 8.523 8.935 -0.412 1 1 1583 . 19 1 1 A 159 159 GLU HA H 372 4.345 4.992 -0.647 1 1 1588 . 19 1 1 A 159 159 GLU C C 372 176.068 176.181 -0.113 1 1 1589 . 19 1 1 A 159 159 GLU CA C 372 56.474 54.318 2.156 1 1 1590 . 19 1 1 A 159 159 GLU CB C 372 30.078 33.652 -3.574 1 1 1592 . 19 1 1 A 159 159 GLU N N 372 123.765 120.682 3.083 1 1 1593 . 19 1 1 A 160 160 THR H H 373 8.096 8.594 -0.498 1 1 1594 . 19 1 1 A 160 160 THR HA H 373 4.311 4.264 0.047 1 1 1599 . 19 1 1 A 160 160 THR C C 373 173.701 173.537 0.164 1 1 1600 . 19 1 1 A 160 160 THR CA C 373 61.845 62.605 -0.760 1 1 1601 . 19 1 1 A 160 160 THR CB C 373 69.760 69.796 -0.036 1 1 1603 . 19 1 1 A 160 160 THR N N 373 114.143 114.974 -0.831 1 1 1604 . 19 1 1 A 161 161 ASP H H 374 8.387 8.854 -0.467 1 1 1605 . 19 1 1 A 161 161 ASP HA H 374 4.625 5.105 -0.480 1 1 1608 . 19 1 1 A 161 161 ASP C C 374 175.806 176.079 -0.273 1 1 1609 . 19 1 1 A 161 161 ASP CA C 374 54.478 52.615 1.863 1 1 1610 . 19 1 1 A 161 161 ASP CB C 374 41.096 44.541 -3.445 1 1 1611 . 19 1 1 A 161 161 ASP N N 374 122.070 123.585 -1.515 1 1 1612 . 19 1 1 A 162 162 SER H H 375 8.175 8.869 -0.694 1 1 1613 . 19 1 1 A 162 162 SER HA H 375 4.385 4.168 0.217 1 1 1616 . 19 1 1 A 162 162 SER C C 375 174.169 173.334 0.835 1 1 1617 . 19 1 1 A 162 162 SER CA C 375 58.631 59.217 -0.586 1 1 1618 . 19 1 1 A 162 162 SER CB C 375 63.814 60.926 2.888 1 1 1619 . 19 1 1 A 162 162 SER N N 375 115.346 119.430 -4.084 1 1 1620 . 19 1 1 A 163 163 GLU H H 376 8.424 7.877 0.547 1 1 1621 . 19 1 1 A 163 163 GLU HA H 376 4.263 4.952 -0.689 1 1 1626 . 19 1 1 A 163 163 GLU C C 376 175.959 175.324 0.635 1 1 1627 . 19 1 1 A 163 163 GLU CA C 376 56.567 54.719 1.848 1 1 1628 . 19 1 1 A 163 163 GLU CB C 376 30.044 32.280 -2.236 1 1 1630 . 19 1 1 A 163 163 GLU N N 376 122.034 118.217 3.817 1 1 1631 . 19 1 1 A 164 164 GLU H H 377 8.298 8.857 -0.559 1 1 1632 . 19 1 1 A 164 164 GLU HA H 377 4.224 4.420 -0.196 1 1 1637 . 19 1 1 A 164 164 GLU C C 377 175.816 177.997 -2.181 1 1 1638 . 19 1 1 A 164 164 GLU CA C 377 56.489 56.215 0.274 1 1 1639 . 19 1 1 A 164 164 GLU CB C 377 30.220 30.674 -0.454 1 1 1641 . 19 1 1 A 164 164 GLU N N 377 120.980 121.842 -0.862 1 1 1642 . 19 1 1 A 165 165 GLN H H 378 8.340 8.640 -0.300 1 1 1643 . 19 1 1 A 165 165 GLN HA H 378 4.563 4.045 0.518 1 1 1645 . 19 1 1 A 165 165 GLN C C 378 173.510 176.847 -3.337 1 1 1646 . 19 1 1 A 165 165 GLN CA C 378 53.530 60.882 -7.352 1 1 1647 . 19 1 1 A 165 165 GLN CB C 378 28.816 27.749 1.067 1 1 1649 . 19 1 1 A 165 165 GLN N N 378 121.693 120.991 0.702 1 1 1650 . 19 1 1 A 166 166 PRO HA H 379 4.381 4.782 -0.401 1 1 1657 . 19 1 1 A 166 166 PRO C C 379 176.081 176.161 -0.080 1 1 1658 . 19 1 1 A 166 166 PRO CA C 379 63.260 62.423 0.837 1 1 1659 . 19 1 1 A 166 166 PRO CB C 379 32.010 29.273 2.737 1 1 1662 . 19 1 1 A 167 167 TYR H H 380 8.116 8.491 -0.375 1 1 1663 . 19 1 1 A 167 167 TYR HA H 380 4.513 4.653 -0.140 1 1 1668 . 19 1 1 A 167 167 TYR C C 380 174.992 174.991 0.001 1 1 1669 . 19 1 1 A 167 167 TYR CA C 380 57.699 57.590 0.109 1 1 1670 . 19 1 1 A 167 167 TYR CB C 380 38.344 39.779 -1.435 1 1 1673 . 19 1 1 A 167 167 TYR N N 380 119.531 119.582 -0.051 1 1 1674 . 19 1 1 A 168 168 LEU H H 381 7.953 7.674 0.279 1 1 1675 . 19 1 1 A 168 168 LEU HA H 381 4.267 4.958 -0.691 1 1 1685 . 19 1 1 A 168 168 LEU C C 381 176.162 175.856 0.306 1 1 1686 . 19 1 1 A 168 168 LEU CA C 381 54.808 53.091 1.717 1 1 1687 . 19 1 1 A 168 168 LEU CB C 381 42.735 42.665 0.070 1 1 1691 . 19 1 1 A 168 168 LEU N N 381 124.133 120.976 3.157 1 1 1692 . 19 1 1 A 169 169 GLU H H 382 8.190 8.307 -0.117 1 1 1693 . 19 1 1 A 169 169 GLU HA H 382 4.167 4.789 -0.622 1 1 1698 . 19 1 1 A 169 169 GLU C C 382 175.881 174.503 1.378 1 1 1699 . 19 1 1 A 169 169 GLU CA C 382 56.655 55.951 0.704 1 1 1700 . 19 1 1 A 169 169 GLU CB C 382 30.058 31.932 -1.874 1 1 1702 . 19 1 1 A 169 169 GLU N N 382 121.131 123.171 -2.040 1 1 1703 . 19 1 1 A 170 170 MET H H 383 8.214 9.001 -0.787 1 1 1704 . 19 1 1 A 170 170 MET HA H 383 4.377 5.467 -1.090 1 1 1709 . 19 1 1 A 170 170 MET C C 383 175.132 174.404 0.728 1 1 1710 . 19 1 1 A 170 170 MET CA C 383 55.606 53.788 1.818 1 1 1711 . 19 1 1 A 170 170 MET CB C 383 33.091 35.499 -2.408 1 1 1713 . 19 1 1 A 170 170 MET N N 383 120.601 121.937 -1.336 1 1 1714 . 19 1 1 A 171 171 ASP H H 384 8.358 9.035 -0.677 1 1 1715 . 19 1 1 A 171 171 ASP HA H 384 4.575 5.300 -0.725 1 1 1718 . 19 1 1 A 171 171 ASP C C 384 175.966 174.584 1.382 1 1 1719 . 19 1 1 A 171 171 ASP CA C 384 53.741 52.924 0.817 1 1 1720 . 19 1 1 A 171 171 ASP CB C 384 40.571 44.856 -4.285 1 1 1721 . 19 1 1 A 171 171 ASP N N 384 121.104 119.394 1.710 1 1 1722 . 19 1 1 A 172 172 LEU H H 385 8.285 8.714 -0.429 1 1 1723 . 19 1 1 A 172 172 LEU HA H 385 4.305 4.874 -0.569 1 1 1733 . 19 1 1 A 172 172 LEU C C 385 177.140 174.553 2.587 1 1 1734 . 19 1 1 A 172 172 LEU CA C 385 55.122 54.025 1.097 1 1 1735 . 19 1 1 A 172 172 LEU CB C 385 41.851 44.987 -3.136 1 1 1739 . 19 1 1 A 172 172 LEU N N 385 123.115 116.720 6.395 1 1 1740 . 19 1 1 A 173 173 SER H H 386 8.290 8.584 -0.294 1 1 1741 . 19 1 1 A 173 173 SER N N 386 115.101 115.990 -0.889 1 1 1742 . 19 1 1 A 176 176 GLN HA H 389 4.383 4.081 0.302 1 1 1749 . 19 1 1 A 176 176 GLN CA C 389 55.991 58.087 -2.096 1 1 1750 . 19 1 1 A 176 176 GLN CB C 389 29.280 28.250 1.030 1 1 1753 . 19 1 1 A 177 177 THR H H 390 6.958 7.921 -0.963 1 1 1754 . 19 1 1 A 177 177 THR HA H 390 3.970 4.947 -0.977 1 1 1759 . 19 1 1 A 177 177 THR C C 390 172.764 172.649 0.115 1 1 1760 . 19 1 1 A 177 177 THR CA C 390 62.221 60.508 1.713 1 1 1761 . 19 1 1 A 177 177 THR CB C 390 69.382 72.099 -2.717 1 1 1763 . 19 1 1 A 177 177 THR N N 390 115.463 109.323 6.140 1 1 1764 . 19 1 1 A 178 178 ARG H H 391 7.873 8.651 -0.778 1 1 1765 . 19 1 1 A 178 178 ARG C C 391 174.982 175.637 -0.655 1 1 1766 . 19 1 1 A 178 178 ARG CA C 391 55.266 54.332 0.934 1 1 1767 . 19 1 1 A 178 178 ARG CB C 391 31.052 33.825 -2.773 1 1 1769 . 19 1 1 A 178 178 ARG N N 391 122.116 121.673 0.443 1 1 1770 . 19 1 1 A 179 179 TYR H H 392 8.812 9.093 -0.281 1 1 1771 . 19 1 1 A 179 179 TYR HA H 392 4.621 4.777 -0.156 1 1 1776 . 19 1 1 A 179 179 TYR C C 392 174.337 176.045 -1.708 1 1 1777 . 19 1 1 A 179 179 TYR CA C 392 57.444 57.566 -0.122 1 1 1778 . 19 1 1 A 179 179 TYR CB C 392 40.623 38.946 1.677 1 1 1781 . 19 1 1 A 179 179 TYR N N 392 118.296 123.804 -5.508 1 1 1782 . 19 1 1 A 180 180 ILE H H 393 7.254 7.799 -0.545 1 1 1783 . 19 1 1 A 180 180 ILE HA H 393 4.610 4.651 -0.041 1 1 1793 . 19 1 1 A 180 180 ILE C C 393 171.654 175.144 -3.490 1 1 1794 . 19 1 1 A 180 180 ILE CA C 393 56.916 58.155 -1.239 1 1 1795 . 19 1 1 A 180 180 ILE CB C 393 39.736 38.215 1.521 1 1 1799 . 19 1 1 A 180 180 ILE N N 393 108.609 115.870 -7.261 1 1 1800 . 19 1 1 A 181 181 PRO HA H 394 4.709 4.790 -0.081 1 1 1807 . 19 1 1 A 181 181 PRO C C 394 173.910 176.290 -2.380 1 1 1808 . 19 1 1 A 181 181 PRO CA C 394 62.144 62.498 -0.354 1 1 1809 . 19 1 1 A 181 181 PRO CB C 394 32.527 33.449 -0.922 1 1 1812 . 19 1 1 A 182 182 ASP H H 395 8.296 8.919 -0.623 1 1 1813 . 19 1 1 A 182 182 ASP HA H 395 4.665 4.710 -0.045 1 1 1816 . 19 1 1 A 182 182 ASP C C 395 175.120 176.917 -1.797 1 1 1817 . 19 1 1 A 182 182 ASP CA C 395 52.455 53.731 -1.276 1 1 1818 . 19 1 1 A 182 182 ASP CB C 395 38.742 40.700 -1.958 1 1 1819 . 19 1 1 A 182 182 ASP N N 395 120.042 122.059 -2.017 1 1 1820 . 19 1 1 A 183 183 GLU H H 396 7.651 7.690 -0.039 1 1 1821 . 19 1 1 A 183 183 GLU HA H 396 4.492 4.207 0.285 1 1 1826 . 19 1 1 A 183 183 GLU C C 396 173.702 175.783 -2.081 1 1 1827 . 19 1 1 A 183 183 GLU CA C 396 54.897 57.508 -2.611 1 1 1828 . 19 1 1 A 183 183 GLU CB C 396 32.509 29.834 2.675 1 1 1830 . 19 1 1 A 183 183 GLU N N 396 117.840 120.237 -2.397 1 1 1831 . 19 1 1 A 184 184 ALA H H 397 8.365 7.810 0.555 1 1 1832 . 19 1 1 A 184 184 ALA HA H 397 4.394 3.794 0.600 1 1 1836 . 19 1 1 A 184 184 ALA C C 397 175.829 176.193 -0.364 1 1 1837 . 19 1 1 A 184 184 ALA CA C 397 52.770 52.873 -0.103 1 1 1838 . 19 1 1 A 184 184 ALA CB C 397 20.682 17.034 3.648 1 1 1839 . 19 1 1 A 184 184 ALA N N 397 121.613 120.854 0.759 1 1 1840 . 19 1 1 A 185 185 ASP H H 398 7.245 7.329 -0.084 1 1 1841 . 19 1 1 A 185 185 ASP HA H 398 4.092 4.779 -0.687 1 1 1844 . 19 1 1 A 185 185 ASP C C 398 172.730 174.925 -2.195 1 1 1845 . 19 1 1 A 185 185 ASP CA C 398 56.144 53.104 3.040 1 1 1846 . 19 1 1 A 185 185 ASP CB C 398 39.841 42.348 -2.507 1 1 1847 . 19 1 1 A 185 185 ASP N N 398 105.829 117.256 -11.427 1 1 1848 . 19 1 1 A 186 186 PHE H H 399 8.467 7.100 1.367 1 1 1849 . 19 1 1 A 186 186 PHE HA H 399 5.486 4.920 0.566 1 1 1852 . 19 1 1 A 186 186 PHE C C 399 176.218 172.391 3.827 1 1 1853 . 19 1 1 A 186 186 PHE CA C 399 57.959 56.428 1.531 1 1 1854 . 19 1 1 A 186 186 PHE CB C 399 44.529 40.754 3.775 1 1 1855 . 19 1 1 A 186 186 PHE N N 399 116.177 117.400 -1.223 1 1 1856 . 19 1 1 A 187 187 LEU H H 400 8.964 9.287 -0.323 1 1 1857 . 19 1 1 A 187 187 LEU HA H 400 4.963 5.135 -0.172 1 1 1867 . 19 1 1 A 187 187 LEU C C 400 171.747 174.899 -3.152 1 1 1868 . 19 1 1 A 187 187 LEU CA C 400 55.422 53.778 1.644 1 1 1869 . 19 1 1 A 187 187 LEU CB C 400 45.641 44.599 1.042 1 1 1873 . 19 1 1 A 187 187 LEU N N 400 121.383 122.400 -1.017 1 1 1874 . 19 1 1 A 188 188 LEU H H 401 9.312 9.057 0.255 1 1 1875 . 19 1 1 A 188 188 LEU HA H 401 5.580 4.054 1.526 1 1 1885 . 19 1 1 A 188 188 LEU C C 401 173.853 177.787 -3.934 1 1 1886 . 19 1 1 A 188 188 LEU CA C 401 53.421 53.483 -0.062 1 1 1887 . 19 1 1 A 188 188 LEU CB C 401 45.403 42.420 2.983 1 1 1891 . 19 1 1 A 188 188 LEU N N 401 128.151 128.543 -0.392 1 1 1892 . 19 1 1 A 189 189 GLY H H 402 9.415 7.956 1.459 1 1 1893 . 19 1 1 A 189 189 GLY HA2 H 402 4.670 3.592 1.078 1 1 1894 . 19 1 1 A 189 189 GLY HA3 H 402 3.663 3.671 -0.008 1 1 1895 . 19 1 1 A 189 189 GLY C C 402 171.014 173.873 -2.859 1 1 1896 . 19 1 1 A 189 189 GLY CA C 402 44.967 45.020 -0.053 1 1 1897 . 19 1 1 A 189 189 GLY N N 402 115.881 112.508 3.373 1 1 1898 . 19 1 1 A 190 190 MET H H 403 8.118 7.485 0.633 1 1 1899 . 19 1 1 A 190 190 MET HA H 403 5.314 4.469 0.845 1 1 1907 . 19 1 1 A 190 190 MET C C 403 173.744 174.958 -1.214 1 1 1908 . 19 1 1 A 190 190 MET CA C 403 53.284 55.904 -2.620 1 1 1909 . 19 1 1 A 190 190 MET CB C 403 36.614 33.687 2.927 1 1 1912 . 19 1 1 A 190 190 MET N N 403 122.165 120.031 2.134 1 1 1934 . 19 1 1 A 203 203 ALA H H 416 8.076 8.287 -0.211 1 1 1935 . 19 1 1 A 203 203 ALA HA H 416 4.228 4.361 -0.133 1 1 1939 . 19 1 1 A 203 203 ALA C C 416 176.895 179.138 -2.243 1 1 1940 . 19 1 1 A 203 203 ALA CA C 416 52.743 52.617 0.126 1 1 1941 . 19 1 1 A 203 203 ALA CB C 416 18.723 19.116 -0.393 1 1 1942 . 19 1 1 A 203 203 ALA N N 416 119.053 124.284 -5.231 1 1 1943 . 19 1 1 A 204 204 GLU H H 417 7.784 8.745 -0.961 1 1 1944 . 19 1 1 A 204 204 GLU HA H 417 4.350 4.510 -0.160 1 1 1949 . 19 1 1 A 204 204 GLU C C 417 175.678 176.827 -1.149 1 1 1950 . 19 1 1 A 204 204 GLU CA C 417 55.650 55.867 -0.217 1 1 1951 . 19 1 1 A 204 204 GLU CB C 417 30.312 29.072 1.240 1 1 1953 . 19 1 1 A 204 204 GLU N N 417 116.458 119.494 -3.036 1 1 1954 . 19 1 1 A 205 205 GLY H H 418 7.910 7.860 0.050 1 1 1955 . 19 1 1 A 205 205 GLY CA C 418 43.804 44.468 -0.664 1 1 1956 . 19 1 1 A 205 205 GLY N N 418 108.024 109.770 -1.746 1 1 1957 . 19 1 1 A 206 206 THR H H 419 8.364 8.345 0.019 1 1 1958 . 19 1 1 A 206 206 THR HA H 419 4.316 5.291 -0.975 1 1 1963 . 19 1 1 A 206 206 THR CA C 419 64.682 59.587 5.095 1 1 1964 . 19 1 1 A 206 206 THR CB C 419 69.304 71.796 -2.492 1 1 1966 . 19 1 1 A 206 206 THR N N 419 115.417 111.177 4.240 1 1 1967 . 19 1 1 A 207 207 TRP HA H 420 4.116 4.439 -0.323 1 1 1976 . 19 1 1 A 207 207 TRP CA C 420 61.178 57.105 4.073 1 1 1977 . 19 1 1 A 207 207 TRP CB C 420 28.670 30.070 -1.400 1 1 1984 . 19 1 1 A 209 209 ILE H H 422 6.744 9.049 -2.305 1 1 1985 . 19 1 1 A 209 209 ILE HA H 422 3.349 3.862 -0.513 1 1 1993 . 19 1 1 A 209 209 ILE C C 422 178.143 177.699 0.444 1 1 1994 . 19 1 1 A 209 209 ILE CA C 422 60.865 64.386 -3.521 1 1 1995 . 19 1 1 A 209 209 ILE CB C 422 34.371 37.412 -3.041 1 1 1999 . 19 1 1 A 209 209 ILE N N 422 113.211 123.092 -9.881 1 1 2000 . 19 1 1 A 210 210 GLN H H 423 8.252 8.232 0.020 1 1 2001 . 19 1 1 A 210 210 GLN HA H 423 3.548 4.115 -0.567 1 1 2006 . 19 1 1 A 210 210 GLN C C 423 179.079 177.348 1.731 1 1 2007 . 19 1 1 A 210 210 GLN CA C 423 58.795 58.964 -0.169 1 1 2008 . 19 1 1 A 210 210 GLN CB C 423 26.704 28.389 -1.685 1 1 2010 . 19 1 1 A 210 210 GLN N N 423 116.455 120.568 -4.113 1 1 2011 . 19 1 1 A 211 211 SER H H 424 8.162 7.636 0.526 1 1 2012 . 19 1 1 A 211 211 SER HA H 424 3.961 4.783 -0.822 1 1 2015 . 19 1 1 A 211 211 SER C C 424 179.150 175.445 3.705 1 1 2016 . 19 1 1 A 211 211 SER CA C 424 61.850 58.745 3.105 1 1 2017 . 19 1 1 A 211 211 SER CB C 424 62.214 64.332 -2.118 1 1 2018 . 19 1 1 A 211 211 SER N N 424 115.041 112.204 2.837 1 1 2019 . 19 1 1 A 212 212 LEU H H 425 8.061 8.284 -0.223 1 1 2020 . 19 1 1 A 212 212 LEU HA H 425 3.540 4.214 -0.674 1 1 2030 . 19 1 1 A 212 212 LEU C C 425 177.566 178.251 -0.685 1 1 2031 . 19 1 1 A 212 212 LEU CA C 425 58.548 57.579 0.969 1 1 2032 . 19 1 1 A 212 212 LEU CB C 425 41.665 41.995 -0.330 1 1 2036 . 19 1 1 A 212 212 LEU N N 425 124.082 122.196 1.886 1 1 2037 . 19 1 1 A 213 213 CYS H H 426 7.940 8.259 -0.319 1 1 2038 . 19 1 1 A 213 213 CYS HA H 426 3.628 4.037 -0.409 1 1 2041 . 19 1 1 A 213 213 CYS C C 426 175.741 176.656 -0.915 1 1 2042 . 19 1 1 A 213 213 CYS CA C 426 65.159 62.760 2.399 1 1 2043 . 19 1 1 A 213 213 CYS CB C 426 49.251 26.474 22.777 1 1 2044 . 19 1 1 A 213 213 CYS N N 426 114.351 118.112 -3.761 1 1 2045 . 19 1 1 A 214 214 GLN H H 427 7.510 8.397 -0.887 1 1 2046 . 19 1 1 A 214 214 GLN HA H 427 3.772 4.107 -0.335 1 1 2051 . 19 1 1 A 214 214 GLN C C 427 177.769 177.838 -0.069 1 1 2052 . 19 1 1 A 214 214 GLN CA C 427 59.019 57.955 1.064 1 1 2053 . 19 1 1 A 214 214 GLN CB C 427 27.718 27.441 0.277 1 1 2055 . 19 1 1 A 214 214 GLN N N 427 117.399 118.984 -1.585 1 1 2056 . 19 1 1 A 215 215 SER H H 428 7.906 7.705 0.201 1 1 2057 . 19 1 1 A 215 215 SER HA H 428 4.173 4.317 -0.144 1 1 2060 . 19 1 1 A 215 215 SER CA C 428 62.653 62.240 0.413 1 1 2061 . 19 1 1 A 215 215 SER CB C 428 62.889 63.657 -0.768 1 1 2062 . 19 1 1 A 215 215 SER N N 428 113.799 117.580 -3.781 1 1 2063 . 19 1 1 A 216 216 LEU H H 429 8.505 8.586 -0.081 1 1 2064 . 19 1 1 A 216 216 LEU HA H 429 4.156 3.854 0.302 1 1 2071 . 19 1 1 A 216 216 LEU C C 429 178.848 178.209 0.639 1 1 2072 . 19 1 1 A 216 216 LEU CA C 429 58.053 58.064 -0.011 1 1 2073 . 19 1 1 A 216 216 LEU CB C 429 41.222 41.258 -0.036 1 1 2076 . 19 1 1 A 216 216 LEU N N 429 121.357 120.292 1.065 1 1 2077 . 19 1 1 A 217 217 ARG H H 430 7.972 9.009 -1.037 1 1 2078 . 19 1 1 A 217 217 ARG HA H 430 3.850 3.946 -0.096 1 1 2085 . 19 1 1 A 217 217 ARG C C 430 178.237 177.223 1.014 1 1 2086 . 19 1 1 A 217 217 ARG CA C 430 59.472 58.014 1.458 1 1 2087 . 19 1 1 A 217 217 ARG CB C 430 30.256 29.448 0.808 1 1 2090 . 19 1 1 A 217 217 ARG N N 430 116.018 121.106 -5.088 1 1 2091 . 19 1 1 A 218 218 GLU H H 431 7.583 8.140 -0.557 1 1 2092 . 19 1 1 A 218 218 GLU HA H 431 4.119 4.320 -0.201 1 1 2096 . 19 1 1 A 218 218 GLU C C 431 178.377 177.586 0.791 1 1 2097 . 19 1 1 A 218 218 GLU CA C 431 58.207 56.829 1.378 1 1 2098 . 19 1 1 A 218 218 GLU CB C 431 30.548 29.962 0.586 1 1 2100 . 19 1 1 A 218 218 GLU N N 431 113.645 118.057 -4.412 1 1 2101 . 19 1 1 A 219 219 ARG H H 432 8.621 8.018 0.603 1 1 2102 . 19 1 1 A 219 219 ARG HA H 432 4.180 4.557 -0.377 1 1 2103 . 19 1 1 A 219 219 ARG C C 432 178.455 177.506 0.949 1 1 2104 . 19 1 1 A 219 219 ARG CA C 432 58.428 56.056 2.372 1 1 2105 . 19 1 1 A 219 219 ARG CB C 432 30.936 31.209 -0.273 1 1 2107 . 19 1 1 A 219 219 ARG N N 432 114.272 116.367 -2.095 1 1 2108 . 19 1 1 A 220 220 CYS H H 433 8.828 7.989 0.839 1 1 2109 . 19 1 1 A 220 220 CYS HA H 433 4.464 4.074 0.390 1 1 2112 . 19 1 1 A 220 220 CYS C C 433 176.708 174.789 1.919 1 1 2113 . 19 1 1 A 220 220 CYS CA C 433 66.312 63.415 2.897 1 1 2114 . 19 1 1 A 220 220 CYS CB C 433 47.095 25.605 21.490 1 1 2115 . 19 1 1 A 220 220 CYS N N 433 120.012 120.864 -0.852 1 1 2116 . 19 1 1 A 221 221 PRO HA H 434 4.463 4.378 0.085 1 1 2123 . 19 1 1 A 221 221 PRO C C 434 177.064 177.808 -0.744 1 1 2124 . 19 1 1 A 221 221 PRO CA C 434 65.717 64.381 1.336 1 1 2125 . 19 1 1 A 221 221 PRO CB C 434 31.169 31.413 -0.244 1 1 2128 . 19 1 1 A 222 222 ARG H H 435 6.904 7.630 -0.726 1 1 2129 . 19 1 1 A 222 222 ARG HA H 435 4.331 4.339 -0.008 1 1 2136 . 19 1 1 A 222 222 ARG C C 435 176.536 176.798 -0.262 1 1 2137 . 19 1 1 A 222 222 ARG CA C 435 55.901 56.120 -0.219 1 1 2138 . 19 1 1 A 222 222 ARG CB C 435 30.116 30.596 -0.480 1 1 2141 . 19 1 1 A 222 222 ARG N N 435 112.486 117.206 -4.720 1 1 2142 . 19 1 1 A 223 223 GLY H H 436 8.160 7.659 0.501 1 1 2143 . 19 1 1 A 223 223 GLY HA2 H 436 4.237 3.953 0.284 1 1 2144 . 19 1 1 A 223 223 GLY HA3 H 436 3.643 3.980 -0.337 1 1 2145 . 19 1 1 A 223 223 GLY C C 436 173.338 174.504 -1.166 1 1 2146 . 19 1 1 A 223 223 GLY CA C 436 43.988 46.600 -2.612 1 1 2147 . 19 1 1 A 223 223 GLY N N 436 105.931 109.317 -3.386 1 1 2148 . 19 1 1 A 224 224 ASP H H 437 6.891 8.158 -1.267 1 1 2149 . 19 1 1 A 224 224 ASP HA H 437 4.500 4.613 -0.113 1 1 2151 . 19 1 1 A 224 224 ASP C C 437 173.806 175.391 -1.585 1 1 2152 . 19 1 1 A 224 224 ASP CA C 437 54.576 54.268 0.308 1 1 2153 . 19 1 1 A 224 224 ASP CB C 437 40.588 41.928 -1.340 1 1 2154 . 19 1 1 A 224 224 ASP N N 437 119.342 121.631 -2.289 1 1 2155 . 19 1 1 A 225 225 ASP H H 438 8.054 8.583 -0.529 1 1 2156 . 19 1 1 A 225 225 ASP HA H 438 4.912 4.778 0.134 1 1 2159 . 19 1 1 A 225 225 ASP C C 438 175.631 176.249 -0.618 1 1 2160 . 19 1 1 A 225 225 ASP CA C 438 52.579 53.971 -1.392 1 1 2161 . 19 1 1 A 225 225 ASP CB C 438 42.616 41.662 0.954 1 1 2162 . 19 1 1 A 225 225 ASP N N 438 117.877 124.122 -6.245 1 1 2163 . 19 1 1 A 226 226 ILE H H 439 9.101 8.659 0.442 1 1 2164 . 19 1 1 A 226 226 ILE HA H 439 3.621 4.275 -0.654 1 1 2174 . 19 1 1 A 226 226 ILE C C 439 176.146 177.032 -0.886 1 1 2175 . 19 1 1 A 226 226 ILE CA C 439 62.602 61.343 1.259 1 1 2176 . 19 1 1 A 226 226 ILE CB C 439 36.530 38.107 -1.577 1 1 2180 . 19 1 1 A 226 226 ILE N N 439 118.352 123.140 -4.788 1 1 2181 . 19 1 1 A 227 227 LEU H H 440 7.814 7.636 0.178 1 1 2182 . 19 1 1 A 227 227 LEU HA H 440 3.918 3.989 -0.071 1 1 2192 . 19 1 1 A 227 227 LEU C C 440 179.397 177.656 1.741 1 1 2193 . 19 1 1 A 227 227 LEU CA C 440 58.566 55.374 3.192 1 1 2194 . 19 1 1 A 227 227 LEU CB C 440 40.819 42.102 -1.283 1 1 2198 . 19 1 1 A 227 227 LEU N N 440 119.906 122.838 -2.932 1 1 2199 . 19 1 1 A 228 228 THR H H 441 7.665 7.386 0.279 1 1 2200 . 19 1 1 A 228 228 THR HA H 441 4.289 4.477 -0.188 1 1 2205 . 19 1 1 A 228 228 THR C C 441 179.489 175.990 3.499 1 1 2206 . 19 1 1 A 228 228 THR CA C 441 61.837 61.638 0.199 1 1 2207 . 19 1 1 A 228 228 THR CB C 441 69.979 70.051 -0.072 1 1 2209 . 19 1 1 A 228 228 THR N N 441 120.011 107.993 12.018 1 1 2210 . 19 1 1 A 229 229 ILE H H 442 7.807 6.870 0.937 1 1 2211 . 19 1 1 A 229 229 ILE HA H 442 3.300 3.814 -0.514 1 1 2221 . 19 1 1 A 229 229 ILE C C 442 177.728 177.313 0.415 1 1 2222 . 19 1 1 A 229 229 ILE CA C 442 66.069 64.992 1.077 1 1 2223 . 19 1 1 A 229 229 ILE CB C 442 38.260 37.922 0.338 1 1 2227 . 19 1 1 A 229 229 ILE N N 442 119.411 121.417 -2.006 1 1 2228 . 19 1 1 A 230 230 LEU H H 443 8.530 7.727 0.803 1 1 2229 . 19 1 1 A 230 230 LEU HA H 443 3.958 4.593 -0.635 1 1 2239 . 19 1 1 A 230 230 LEU C C 443 178.689 177.603 1.086 1 1 2240 . 19 1 1 A 230 230 LEU CA C 443 57.697 54.860 2.837 1 1 2241 . 19 1 1 A 230 230 LEU CB C 443 42.191 42.454 -0.263 1 1 2245 . 19 1 1 A 230 230 LEU N N 443 116.186 114.966 1.220 1 1 2246 . 19 1 1 A 231 231 THR H H 444 8.008 7.835 0.173 1 1 2247 . 19 1 1 A 231 231 THR HA H 444 4.153 4.569 -0.416 1 1 2252 . 19 1 1 A 231 231 THR C C 444 175.208 175.279 -0.071 1 1 2253 . 19 1 1 A 231 231 THR CA C 444 65.327 61.115 4.212 1 1 2254 . 19 1 1 A 231 231 THR CB C 444 69.718 70.328 -0.610 1 1 2256 . 19 1 1 A 231 231 THR N N 444 112.075 110.049 2.026 1 1 2257 . 19 1 1 A 232 232 GLU H H 445 7.717 8.376 -0.659 1 1 2258 . 19 1 1 A 232 232 GLU HA H 445 4.186 4.415 -0.229 1 1 2259 . 19 1 1 A 232 232 GLU C C 445 177.156 176.852 0.304 1 1 2260 . 19 1 1 A 232 232 GLU CA C 445 57.891 57.031 0.860 1 1 2261 . 19 1 1 A 232 232 GLU CB C 445 28.836 30.421 -1.585 1 1 2263 . 19 1 1 A 232 232 GLU N N 445 120.074 121.410 -1.336 1 1 2294 . 19 1 1 A 252 252 GLN H H 465 8.586 8.397 0.189 1 1 2295 . 19 1 1 A 252 252 GLN HA H 465 4.689 4.467 0.222 1 1 2296 . 19 1 1 A 252 252 GLN C C 465 174.446 174.613 -0.167 1 1 2297 . 19 1 1 A 252 252 GLN CA C 465 53.682 53.733 -0.051 1 1 2298 . 19 1 1 A 252 252 GLN CB C 465 28.537 28.859 -0.322 1 1 2300 . 19 1 1 A 252 252 GLN N N 465 121.782 120.532 1.250 1 1 2301 . 19 1 1 A 253 253 PRO HA H 466 4.902 4.848 0.054 1 1 2302 . 19 1 1 A 253 253 PRO C C 466 174.937 176.165 -1.228 1 1 2303 . 19 1 1 A 253 253 PRO CA C 466 63.075 62.496 0.579 1 1 2304 . 19 1 1 A 253 253 PRO CB C 466 32.384 33.188 -0.804 1 1 2307 . 19 1 1 A 254 254 THR H H 467 8.556 8.273 0.283 1 1 2308 . 19 1 1 A 254 254 THR HA H 467 4.659 4.568 0.091 1 1 2313 . 19 1 1 A 254 254 THR C C 467 172.995 174.879 -1.884 1 1 2314 . 19 1 1 A 254 254 THR CA C 467 61.740 61.425 0.315 1 1 2315 . 19 1 1 A 254 254 THR CB C 467 70.195 70.178 0.017 1 1 2317 . 19 1 1 A 254 254 THR N N 467 115.754 111.007 4.747 1 1 2318 . 19 1 1 A 255 255 PHE H H 468 8.560 7.550 1.010 1 1 2319 . 19 1 1 A 255 255 PHE HA H 468 5.502 4.977 0.525 1 1 2322 . 19 1 1 A 255 255 PHE C C 468 173.198 174.996 -1.798 1 1 2323 . 19 1 1 A 255 255 PHE CA C 468 56.283 55.369 0.914 1 1 2324 . 19 1 1 A 255 255 PHE CB C 468 43.426 40.612 2.814 1 1 2325 . 19 1 1 A 255 255 PHE N N 468 120.481 119.328 1.153 1 1 2326 . 19 1 1 A 256 256 THR H H 469 9.702 8.292 1.410 1 1 2327 . 19 1 1 A 256 256 THR HA H 469 4.662 5.038 -0.376 1 1 2332 . 19 1 1 A 256 256 THR C C 469 176.561 173.397 3.164 1 1 2333 . 19 1 1 A 256 256 THR CA C 469 59.948 60.509 -0.561 1 1 2334 . 19 1 1 A 256 256 THR CB C 469 69.145 70.922 -1.777 1 1 2336 . 19 1 1 A 256 256 THR N N 469 108.601 112.866 -4.265 1 1 2337 . 19 1 1 A 257 257 LEU H H 470 7.235 8.841 -1.606 1 1 2338 . 19 1 1 A 257 257 LEU HA H 470 4.401 4.768 -0.367 1 1 2348 . 19 1 1 A 257 257 LEU C C 470 175.975 176.920 -0.945 1 1 2349 . 19 1 1 A 257 257 LEU CA C 470 55.492 53.342 2.150 1 1 2350 . 19 1 1 A 257 257 LEU CB C 470 41.850 46.158 -4.308 1 1 2354 . 19 1 1 A 257 257 LEU N N 470 120.802 126.586 -5.784 1 1 2355 . 19 1 1 A 258 258 ARG H H 471 8.228 8.611 -0.383 1 1 2356 . 19 1 1 A 258 258 ARG HA H 471 4.631 4.091 0.540 1 1 2363 . 19 1 1 A 258 258 ARG C C 471 174.114 176.026 -1.912 1 1 2364 . 19 1 1 A 258 258 ARG CA C 471 55.071 58.475 -3.404 1 1 2365 . 19 1 1 A 258 258 ARG CB C 471 32.470 30.335 2.135 1 1 2368 . 19 1 1 A 258 258 ARG N N 471 118.883 123.560 -4.677 1 1 2369 . 19 1 1 A 259 259 LYS H H 472 7.217 7.592 -0.375 1 1 2370 . 19 1 1 A 259 259 LYS HA H 472 4.260 4.856 -0.596 1 1 2379 . 19 1 1 A 259 259 LYS C C 472 174.571 174.287 0.284 1 1 2380 . 19 1 1 A 259 259 LYS CA C 472 53.269 54.589 -1.320 1 1 2381 . 19 1 1 A 259 259 LYS CB C 472 36.332 36.951 -0.619 1 1 2385 . 19 1 1 A 259 259 LYS N N 472 116.031 117.279 -1.248 1 1 2386 . 19 1 1 A 260 260 LYS H H 473 8.357 8.544 -0.187 1 1 2387 . 19 1 1 A 260 260 LYS HA H 473 4.297 4.583 -0.286 1 1 2396 . 19 1 1 A 260 260 LYS C C 473 174.137 175.099 -0.962 1 1 2397 . 19 1 1 A 260 260 LYS CA C 473 57.258 55.746 1.512 1 1 2398 . 19 1 1 A 260 260 LYS CB C 473 33.561 33.564 -0.003 1 1 2402 . 19 1 1 A 260 260 LYS N N 473 119.377 122.402 -3.025 1 1 2403 . 19 1 1 A 261 261 LEU H H 474 9.288 9.005 0.283 1 1 2404 . 19 1 1 A 261 261 LEU HA H 474 5.048 5.104 -0.056 1 1 2414 . 19 1 1 A 261 261 LEU C C 474 172.558 175.176 -2.618 1 1 2415 . 19 1 1 A 261 261 LEU CA C 474 53.327 53.655 -0.328 1 1 2416 . 19 1 1 A 261 261 LEU CB C 474 44.313 44.323 -0.010 1 1 2420 . 19 1 1 A 261 261 LEU N N 474 126.482 129.475 -2.993 1 1 2421 . 19 1 1 A 262 262 VAL H H 475 8.876 9.021 -0.145 1 1 2422 . 19 1 1 A 262 262 VAL HA H 475 4.238 4.912 -0.674 1 1 2430 . 19 1 1 A 262 262 VAL C C 475 174.243 174.927 -0.684 1 1 2431 . 19 1 1 A 262 262 VAL CA C 475 59.734 61.080 -1.346 1 1 2432 . 19 1 1 A 262 262 VAL CB C 475 34.790 34.817 -0.027 1 1 2435 . 19 1 1 A 262 262 VAL N N 475 124.316 127.742 -3.426 1 1 2436 . 19 1 1 A 263 263 PHE H H 476 8.826 8.684 0.142 1 1 2437 . 19 1 1 A 263 263 PHE HA H 476 5.518 5.263 0.255 1 1 2443 . 19 1 1 A 263 263 PHE C C 476 171.887 173.679 -1.792 1 1 2444 . 19 1 1 A 263 263 PHE CA C 476 52.082 55.057 -2.975 1 1 2445 . 19 1 1 A 263 263 PHE CB C 476 39.792 39.719 0.073 1 1 2449 . 19 1 1 A 263 263 PHE N N 476 122.867 125.730 -2.863 1 1 2450 . 19 1 1 A 264 264 PRO HA H 477 4.649 4.795 -0.146 1 1 2457 . 19 1 1 A 264 264 PRO C C 477 178.322 177.303 1.019 1 1 2458 . 19 1 1 A 264 264 PRO CA C 477 62.333 62.896 -0.563 1 1 2459 . 19 1 1 A 264 264 PRO CB C 477 32.553 33.356 -0.803 1 1 2462 . 19 1 1 A 265 265 SER H H 478 8.763 8.815 -0.052 1 1 2463 . 19 1 1 A 265 265 SER HA H 478 4.494 4.329 0.165 1 1 2466 . 19 1 1 A 265 265 SER C C 478 173.725 176.031 -2.306 1 1 2467 . 19 1 1 A 265 265 SER CA C 478 59.060 60.804 -1.744 1 1 2468 . 19 1 1 A 265 265 SER CB C 478 64.038 63.247 0.791 1 1 2469 . 19 1 1 A 265 265 SER N N 478 116.725 114.958 1.767 1 1 17 . 20 1 1 A 12 12 VAL H H 225 7.819 8.464 -0.645 1 1 18 . 20 1 1 A 12 12 VAL HA H 225 4.946 4.002 0.944 1 1 26 . 20 1 1 A 12 12 VAL C C 225 175.898 176.247 -0.349 1 1 27 . 20 1 1 A 12 12 VAL CA C 225 59.650 62.886 -3.236 1 1 28 . 20 1 1 A 12 12 VAL CB C 225 35.296 32.513 2.783 1 1 31 . 20 1 1 A 12 12 VAL N N 225 117.637 123.714 -6.077 1 1 32 . 20 1 1 A 13 13 TYR H H 226 8.318 9.112 -0.794 1 1 33 . 20 1 1 A 13 13 TYR HA H 226 4.291 4.114 0.177 1 1 36 . 20 1 1 A 13 13 TYR C C 226 176.911 174.876 2.035 1 1 37 . 20 1 1 A 13 13 TYR CA C 226 60.063 58.883 1.180 1 1 38 . 20 1 1 A 13 13 TYR CB C 226 37.843 37.320 0.523 1 1 39 . 20 1 1 A 13 13 TYR N N 226 122.976 127.874 -4.898 1 1 40 . 20 1 1 A 14 14 GLN H H 227 9.128 8.448 0.680 1 1 41 . 20 1 1 A 14 14 GLN HA H 227 3.996 3.991 0.005 1 1 46 . 20 1 1 A 14 14 GLN C C 227 175.052 175.667 -0.615 1 1 47 . 20 1 1 A 14 14 GLN CA C 227 57.421 56.513 0.908 1 1 48 . 20 1 1 A 14 14 GLN CB C 227 29.550 27.158 2.392 1 1 50 . 20 1 1 A 14 14 GLN N N 227 124.676 125.302 -0.626 1 1 51 . 20 1 1 A 15 15 MET H H 228 8.465 7.728 0.737 1 1 52 . 20 1 1 A 15 15 MET HA H 228 5.210 4.451 0.759 1 1 60 . 20 1 1 A 15 15 MET C C 228 172.979 176.076 -3.097 1 1 61 . 20 1 1 A 15 15 MET CA C 228 52.955 54.956 -2.001 1 1 62 . 20 1 1 A 15 15 MET CB C 228 30.751 31.486 -0.735 1 1 65 . 20 1 1 A 15 15 MET N N 228 128.835 116.030 12.805 1 1 66 . 20 1 1 A 16 16 LYS H H 229 9.119 7.872 1.247 1 1 67 . 20 1 1 A 16 16 LYS HA H 229 4.558 4.378 0.180 1 1 76 . 20 1 1 A 16 16 LYS C C 229 176.209 176.372 -0.163 1 1 77 . 20 1 1 A 16 16 LYS CA C 229 55.916 56.303 -0.387 1 1 78 . 20 1 1 A 16 16 LYS CB C 229 35.555 32.637 2.918 1 1 82 . 20 1 1 A 16 16 LYS N N 229 120.235 125.476 -5.241 1 1 83 . 20 1 1 A 17 17 SER H H 230 9.101 7.661 1.440 1 1 84 . 20 1 1 A 17 17 SER HA H 230 4.077 4.449 -0.372 1 1 87 . 20 1 1 A 17 17 SER C C 230 172.995 174.858 -1.863 1 1 88 . 20 1 1 A 17 17 SER CA C 230 59.615 57.567 2.048 1 1 89 . 20 1 1 A 17 17 SER CB C 230 64.482 62.550 1.932 1 1 90 . 20 1 1 A 17 17 SER N N 230 121.500 113.811 7.689 1 1 91 . 20 1 1 A 18 18 LYS H H 231 8.120 8.175 -0.055 1 1 92 . 20 1 1 A 18 18 LYS HA H 231 4.373 3.905 0.468 1 1 101 . 20 1 1 A 18 18 LYS C C 231 173.565 177.100 -3.535 1 1 102 . 20 1 1 A 18 18 LYS CA C 231 53.231 56.946 -3.715 1 1 103 . 20 1 1 A 18 18 LYS CB C 231 34.596 30.795 3.801 1 1 107 . 20 1 1 A 18 18 LYS N N 231 120.561 119.788 0.773 1 1 108 . 20 1 1 A 19 19 PRO HA H 232 4.898 4.106 0.792 1 1 115 . 20 1 1 A 19 19 PRO C C 232 176.162 176.261 -0.099 1 1 116 . 20 1 1 A 19 19 PRO CA C 232 62.838 64.288 -1.450 1 1 117 . 20 1 1 A 19 19 PRO CB C 232 34.997 31.659 3.338 1 1 120 . 20 1 1 A 20 20 ARG H H 233 8.782 8.347 0.435 1 1 121 . 20 1 1 A 20 20 ARG HA H 233 3.651 4.455 -0.804 1 1 122 . 20 1 1 A 20 20 ARG C C 233 175.210 175.753 -0.543 1 1 123 . 20 1 1 A 20 20 ARG CA C 233 56.621 55.534 1.087 1 1 124 . 20 1 1 A 20 20 ARG CB C 233 30.581 28.984 1.597 1 1 127 . 20 1 1 A 20 20 ARG N N 233 118.785 117.482 1.303 1 1 128 . 20 1 1 A 21 21 GLY H H 234 6.490 8.442 -1.952 1 1 129 . 20 1 1 A 21 21 GLY HA2 H 234 4.312 3.876 0.436 1 1 130 . 20 1 1 A 21 21 GLY HA3 H 234 4.662 4.298 0.364 1 1 131 . 20 1 1 A 21 21 GLY C C 234 172.012 172.786 -0.774 1 1 132 . 20 1 1 A 21 21 GLY CA C 234 43.743 45.967 -2.224 1 1 133 . 20 1 1 A 21 21 GLY N N 234 128.529 108.626 19.903 1 1 134 . 20 1 1 A 22 22 TYR H H 235 9.327 8.492 0.835 1 1 135 . 20 1 1 A 22 22 TYR HA H 235 5.260 5.057 0.203 1 1 140 . 20 1 1 A 22 22 TYR C C 235 173.931 175.282 -1.351 1 1 141 . 20 1 1 A 22 22 TYR CA C 235 58.287 57.389 0.898 1 1 142 . 20 1 1 A 22 22 TYR CB C 235 39.762 37.248 2.514 1 1 145 . 20 1 1 A 22 22 TYR N N 235 119.429 123.719 -4.290 1 1 146 . 20 1 1 A 23 23 CYS H H 236 8.665 8.743 -0.078 1 1 147 . 20 1 1 A 23 23 CYS HA H 236 4.928 4.364 0.564 1 1 148 . 20 1 1 A 23 23 CYS C C 236 172.970 174.554 -1.584 1 1 149 . 20 1 1 A 23 23 CYS CA C 236 55.636 59.270 -3.634 1 1 150 . 20 1 1 A 23 23 CYS CB C 236 50.040 27.352 22.688 1 1 151 . 20 1 1 A 23 23 CYS N N 236 120.485 123.922 -3.437 1 1 152 . 20 1 1 A 24 24 LEU H H 237 8.619 8.037 0.582 1 1 153 . 20 1 1 A 24 24 LEU HA H 237 4.691 5.118 -0.427 1 1 163 . 20 1 1 A 24 24 LEU C C 237 175.850 175.977 -0.127 1 1 164 . 20 1 1 A 24 24 LEU CA C 237 54.053 53.788 0.265 1 1 165 . 20 1 1 A 24 24 LEU CB C 237 44.117 43.392 0.725 1 1 169 . 20 1 1 A 24 24 LEU N N 237 129.465 126.347 3.118 1 1 170 . 20 1 1 A 25 25 ILE H H 238 8.304 8.810 -0.506 1 1 171 . 20 1 1 A 25 25 ILE HA H 238 4.639 4.648 -0.009 1 1 179 . 20 1 1 A 25 25 ILE C C 238 174.032 174.725 -0.693 1 1 180 . 20 1 1 A 25 25 ILE CA C 238 60.879 60.969 -0.090 1 1 181 . 20 1 1 A 25 25 ILE CB C 238 41.165 40.231 0.934 1 1 185 . 20 1 1 A 25 25 ILE N N 238 122.597 123.452 -0.855 1 1 186 . 20 1 1 A 26 26 ILE H H 239 9.025 8.608 0.417 1 1 187 . 20 1 1 A 26 26 ILE HA H 239 4.778 4.931 -0.153 1 1 197 . 20 1 1 A 26 26 ILE C C 239 173.104 173.964 -0.860 1 1 198 . 20 1 1 A 26 26 ILE CA C 239 60.733 60.532 0.201 1 1 199 . 20 1 1 A 26 26 ILE CB C 239 38.237 38.503 -0.266 1 1 203 . 20 1 1 A 26 26 ILE N N 239 129.303 128.538 0.765 1 1 204 . 20 1 1 A 27 27 ASN H H 240 8.957 9.190 -0.233 1 1 205 . 20 1 1 A 27 27 ASN HA H 240 5.174 5.319 -0.145 1 1 208 . 20 1 1 A 27 27 ASN C C 240 172.948 174.028 -1.080 1 1 209 . 20 1 1 A 27 27 ASN CA C 240 52.055 51.855 0.200 1 1 210 . 20 1 1 A 27 27 ASN CB C 240 40.530 39.492 1.038 1 1 211 . 20 1 1 A 27 27 ASN N N 240 125.494 127.345 -1.851 1 1 212 . 20 1 1 A 28 28 ASN H H 241 9.118 8.888 0.230 1 1 213 . 20 1 1 A 28 28 ASN HA H 241 5.106 4.946 0.160 1 1 216 . 20 1 1 A 28 28 ASN C C 241 172.184 176.545 -4.361 1 1 217 . 20 1 1 A 28 28 ASN CA C 241 52.599 52.818 -0.219 1 1 218 . 20 1 1 A 28 28 ASN CB C 241 38.296 37.896 0.400 1 1 219 . 20 1 1 A 28 28 ASN N N 241 125.089 123.633 1.456 1 1 220 . 20 1 1 A 29 29 HIS H H 242 9.512 7.702 1.810 1 1 221 . 20 1 1 A 29 29 HIS HA H 242 4.384 4.386 -0.002 1 1 224 . 20 1 1 A 29 29 HIS C C 242 173.519 174.914 -1.395 1 1 225 . 20 1 1 A 29 29 HIS CA C 242 59.174 56.720 2.454 1 1 226 . 20 1 1 A 29 29 HIS CB C 242 28.022 29.129 -1.107 1 1 227 . 20 1 1 A 29 29 HIS N N 242 125.634 119.581 6.053 1 1 228 . 20 1 1 A 30 30 ASN H H 243 8.623 7.915 0.708 1 1 229 . 20 1 1 A 30 30 ASN HA H 243 4.148 4.033 0.115 1 1 234 . 20 1 1 A 30 30 ASN C C 243 175.052 175.047 0.005 1 1 235 . 20 1 1 A 30 30 ASN CA C 243 53.229 53.024 0.205 1 1 236 . 20 1 1 A 30 30 ASN CB C 243 38.980 39.446 -0.466 1 1 237 . 20 1 1 A 30 30 ASN N N 243 119.059 120.406 -1.347 1 1 239 . 20 1 1 A 31 31 PHE H H 244 8.676 8.545 0.131 1 1 240 . 20 1 1 A 31 31 PHE HA H 244 4.686 4.895 -0.209 1 1 243 . 20 1 1 A 31 31 PHE C C 244 174.399 176.392 -1.993 1 1 244 . 20 1 1 A 31 31 PHE CA C 244 57.688 57.143 0.545 1 1 245 . 20 1 1 A 31 31 PHE CB C 244 39.026 38.957 0.069 1 1 246 . 20 1 1 A 31 31 PHE N N 244 124.091 122.581 1.510 1 1 247 . 20 1 1 A 32 32 ALA H H 245 8.244 8.466 -0.222 1 1 248 . 20 1 1 A 32 32 ALA HA H 245 3.869 4.035 -0.166 1 1 252 . 20 1 1 A 32 32 ALA C C 245 180.452 178.196 2.256 1 1 253 . 20 1 1 A 32 32 ALA CA C 245 56.274 55.426 0.848 1 1 254 . 20 1 1 A 32 32 ALA CB C 245 18.181 18.997 -0.816 1 1 255 . 20 1 1 A 32 32 ALA N N 245 122.713 123.826 -1.113 1 1 256 . 20 1 1 A 33 33 LYS H H 246 8.964 7.869 1.095 1 1 257 . 20 1 1 A 33 33 LYS HA H 246 4.089 4.533 -0.444 1 1 266 . 20 1 1 A 33 33 LYS C C 246 177.441 177.124 0.317 1 1 267 . 20 1 1 A 33 33 LYS CA C 246 58.632 55.568 3.064 1 1 268 . 20 1 1 A 33 33 LYS CB C 246 30.418 33.659 -3.241 1 1 272 . 20 1 1 A 33 33 LYS N N 246 116.888 115.742 1.146 1 1 273 . 20 1 1 A 34 34 ALA H H 247 7.088 8.107 -1.019 1 1 274 . 20 1 1 A 34 34 ALA HA H 247 3.752 4.164 -0.412 1 1 278 . 20 1 1 A 34 34 ALA C C 247 177.581 179.491 -1.910 1 1 279 . 20 1 1 A 34 34 ALA CA C 247 55.502 54.164 1.338 1 1 280 . 20 1 1 A 34 34 ALA CB C 247 18.099 18.824 -0.725 1 1 281 . 20 1 1 A 34 34 ALA N N 247 122.047 122.821 -0.774 1 1 282 . 20 1 1 A 35 35 ARG H H 248 7.706 8.286 -0.580 1 1 283 . 20 1 1 A 35 35 ARG HA H 248 4.338 4.003 0.335 1 1 292 . 20 1 1 A 35 35 ARG C C 248 179.094 178.145 0.949 1 1 293 . 20 1 1 A 35 35 ARG CA C 248 56.283 58.874 -2.591 1 1 294 . 20 1 1 A 35 35 ARG CB C 248 30.668 29.993 0.675 1 1 297 . 20 1 1 A 35 35 ARG N N 248 112.008 118.104 -6.096 1 1 299 . 20 1 1 A 36 36 GLU H H 249 7.707 7.720 -0.013 1 1 300 . 20 1 1 A 36 36 GLU HA H 249 4.121 4.158 -0.037 1 1 305 . 20 1 1 A 36 36 GLU C C 249 178.205 179.161 -0.956 1 1 306 . 20 1 1 A 36 36 GLU CA C 249 58.194 58.511 -0.317 1 1 307 . 20 1 1 A 36 36 GLU CB C 249 30.596 30.335 0.261 1 1 309 . 20 1 1 A 36 36 GLU N N 249 116.945 119.252 -2.307 1 1 310 . 20 1 1 A 37 37 LYS H H 250 7.954 8.104 -0.150 1 1 311 . 20 1 1 A 37 37 LYS HA H 250 4.381 3.957 0.424 1 1 320 . 20 1 1 A 37 37 LYS C C 250 176.772 175.855 0.917 1 1 321 . 20 1 1 A 37 37 LYS CA C 250 57.323 58.182 -0.859 1 1 322 . 20 1 1 A 37 37 LYS CB C 250 34.892 32.421 2.471 1 1 326 . 20 1 1 A 37 37 LYS N N 250 114.798 120.249 -5.451 1 1 327 . 20 1 1 A 38 38 VAL H H 251 8.298 7.874 0.424 1 1 328 . 20 1 1 A 38 38 VAL HA H 251 4.582 4.416 0.166 1 1 336 . 20 1 1 A 38 38 VAL C C 251 174.903 174.200 0.703 1 1 337 . 20 1 1 A 38 38 VAL CA C 251 60.316 58.731 1.585 1 1 338 . 20 1 1 A 38 38 VAL CB C 251 32.374 32.045 0.329 1 1 341 . 20 1 1 A 38 38 VAL N N 251 120.907 118.007 2.900 1 1 342 . 20 1 1 A 40 40 LYS H H 253 8.588 8.816 -0.228 1 1 343 . 20 1 1 A 40 40 LYS HA H 253 4.275 4.279 -0.004 1 1 352 . 20 1 1 A 40 40 LYS C C 253 176.447 177.337 -0.890 1 1 353 . 20 1 1 A 40 40 LYS CA C 253 58.550 58.098 0.452 1 1 354 . 20 1 1 A 40 40 LYS CB C 253 31.568 31.329 0.239 1 1 358 . 20 1 1 A 40 40 LYS N N 253 113.861 115.955 -2.094 1 1 359 . 20 1 1 A 41 41 LEU H H 254 7.948 7.485 0.463 1 1 360 . 20 1 1 A 41 41 LEU HA H 254 4.391 4.090 0.301 1 1 370 . 20 1 1 A 41 41 LEU C C 254 175.989 178.121 -2.132 1 1 371 . 20 1 1 A 41 41 LEU CA C 254 53.279 56.154 -2.875 1 1 372 . 20 1 1 A 41 41 LEU CB C 254 40.369 41.184 -0.815 1 1 376 . 20 1 1 A 41 41 LEU N N 254 118.998 120.095 -1.097 1 1 377 . 20 1 1 A 42 42 HIS H H 255 7.167 7.613 -0.446 1 1 378 . 20 1 1 A 42 42 HIS HA H 255 4.376 4.431 -0.055 1 1 382 . 20 1 1 A 42 42 HIS C C 255 174.836 177.087 -2.251 1 1 383 . 20 1 1 A 42 42 HIS CA C 255 59.188 56.468 2.720 1 1 384 . 20 1 1 A 42 42 HIS CB C 255 30.311 29.739 0.572 1 1 386 . 20 1 1 A 42 42 HIS N N 255 116.251 118.493 -2.242 1 1 387 . 20 1 1 A 43 43 SER H H 256 7.735 7.333 0.402 1 1 388 . 20 1 1 A 43 43 SER HA H 256 4.490 3.986 0.504 1 1 391 . 20 1 1 A 43 43 SER C C 256 174.045 173.923 0.122 1 1 392 . 20 1 1 A 43 43 SER CA C 256 56.420 60.228 -3.808 1 1 393 . 20 1 1 A 43 43 SER CB C 256 64.093 63.747 0.346 1 1 394 . 20 1 1 A 43 43 SER N N 256 110.725 113.894 -3.169 1 1 395 . 20 1 1 A 44 44 ILE H H 257 7.403 7.281 0.122 1 1 396 . 20 1 1 A 44 44 ILE HA H 257 3.806 4.165 -0.359 1 1 406 . 20 1 1 A 44 44 ILE C C 257 174.321 175.679 -1.358 1 1 407 . 20 1 1 A 44 44 ILE CA C 257 61.640 60.744 0.896 1 1 408 . 20 1 1 A 44 44 ILE CB C 257 38.324 39.025 -0.701 1 1 412 . 20 1 1 A 44 44 ILE N N 257 124.717 117.672 7.045 1 1 413 . 20 1 1 A 45 45 ARG H H 258 8.043 8.232 -0.189 1 1 414 . 20 1 1 A 45 45 ARG HA H 258 4.201 4.396 -0.195 1 1 421 . 20 1 1 A 45 45 ARG C C 258 177.535 176.735 0.800 1 1 422 . 20 1 1 A 45 45 ARG CA C 258 55.412 55.905 -0.493 1 1 423 . 20 1 1 A 45 45 ARG CB C 258 31.546 31.973 -0.427 1 1 426 . 20 1 1 A 45 45 ARG N N 258 124.319 124.038 0.281 1 1 427 . 20 1 1 A 46 46 ASP H H 259 8.584 8.980 -0.396 1 1 428 . 20 1 1 A 46 46 ASP HA H 259 5.096 4.387 0.709 1 1 431 . 20 1 1 A 46 46 ASP C C 259 177.819 176.324 1.495 1 1 432 . 20 1 1 A 46 46 ASP CA C 259 55.248 56.774 -1.526 1 1 433 . 20 1 1 A 46 46 ASP CB C 259 39.614 39.925 -0.311 1 1 434 . 20 1 1 A 46 46 ASP N N 259 120.371 124.446 -4.075 1 1 435 . 20 1 1 A 47 47 ARG H H 260 8.632 7.682 0.950 1 1 442 . 20 1 1 A 47 47 ARG CA C 260 56.228 56.029 0.199 1 1 443 . 20 1 1 A 47 47 ARG CB C 260 26.981 31.016 -4.035 1 1 445 . 20 1 1 A 47 47 ARG N N 260 123.120 120.523 2.597 1 1 447 . 20 1 1 A 51 51 HIS HA H 264 4.293 4.199 0.094 1 1 451 . 20 1 1 A 51 51 HIS C C 264 178.002 174.820 3.182 1 1 452 . 20 1 1 A 51 51 HIS CA C 264 60.062 57.040 3.022 1 1 453 . 20 1 1 A 51 51 HIS CB C 264 29.109 27.574 1.535 1 1 455 . 20 1 1 A 52 52 LEU H H 265 7.474 8.054 -0.580 1 1 456 . 20 1 1 A 52 52 LEU HA H 265 4.125 4.200 -0.075 1 1 466 . 20 1 1 A 52 52 LEU C C 265 180.623 177.930 2.693 1 1 467 . 20 1 1 A 52 52 LEU CA C 265 56.921 55.975 0.946 1 1 468 . 20 1 1 A 52 52 LEU CB C 265 40.572 43.639 -3.067 1 1 472 . 20 1 1 A 52 52 LEU N N 265 122.692 118.220 4.472 1 1 473 . 20 1 1 A 53 53 ASP H H 266 6.993 8.203 -1.210 1 1 474 . 20 1 1 A 53 53 ASP C C 266 176.536 177.381 -0.845 1 1 475 . 20 1 1 A 53 53 ASP CA C 266 56.718 55.183 1.535 1 1 476 . 20 1 1 A 53 53 ASP CB C 266 39.787 41.756 -1.969 1 1 477 . 20 1 1 A 53 53 ASP N N 266 122.192 116.879 5.313 1 1 478 . 20 1 1 A 54 54 ALA H H 267 8.217 8.185 0.032 1 1 479 . 20 1 1 A 54 54 ALA HA H 267 3.840 4.211 -0.371 1 1 483 . 20 1 1 A 54 54 ALA C C 267 180.507 179.481 1.026 1 1 484 . 20 1 1 A 54 54 ALA CA C 267 55.836 54.404 1.432 1 1 485 . 20 1 1 A 54 54 ALA CB C 267 17.386 18.565 -1.179 1 1 486 . 20 1 1 A 54 54 ALA N N 267 121.612 122.628 -1.016 1 1 487 . 20 1 1 A 55 55 GLY H H 268 8.481 8.496 -0.015 1 1 488 . 20 1 1 A 55 55 GLY C C 268 174.929 176.195 -1.266 1 1 489 . 20 1 1 A 55 55 GLY CA C 268 46.546 47.047 -0.501 1 1 490 . 20 1 1 A 55 55 GLY N N 268 107.453 107.330 0.123 1 1 491 . 20 1 1 A 56 56 ALA H H 269 7.759 8.049 -0.290 1 1 492 . 20 1 1 A 56 56 ALA HA H 269 4.190 4.013 0.177 1 1 496 . 20 1 1 A 56 56 ALA C C 269 180.493 180.464 0.029 1 1 497 . 20 1 1 A 56 56 ALA CA C 269 55.311 54.618 0.693 1 1 498 . 20 1 1 A 56 56 ALA CB C 269 17.951 18.772 -0.821 1 1 499 . 20 1 1 A 56 56 ALA N N 269 125.518 124.897 0.621 1 1 500 . 20 1 1 A 57 57 LEU H H 270 8.224 7.880 0.344 1 1 501 . 20 1 1 A 57 57 LEU HA H 270 3.840 4.137 -0.297 1 1 506 . 20 1 1 A 57 57 LEU C C 270 177.499 179.112 -1.613 1 1 507 . 20 1 1 A 57 57 LEU CA C 270 58.315 57.540 0.775 1 1 508 . 20 1 1 A 57 57 LEU CB C 270 43.182 41.713 1.469 1 1 511 . 20 1 1 A 57 57 LEU N N 270 121.610 119.910 1.700 1 1 512 . 20 1 1 A 58 58 THR H H 271 7.976 8.335 -0.359 1 1 513 . 20 1 1 A 58 58 THR HA H 271 4.432 3.956 0.476 1 1 518 . 20 1 1 A 58 58 THR C C 271 174.457 175.994 -1.537 1 1 519 . 20 1 1 A 58 58 THR CA C 271 68.788 66.608 2.180 1 1 520 . 20 1 1 A 58 58 THR CB C 271 67.557 68.708 -1.151 1 1 522 . 20 1 1 A 58 58 THR N N 271 115.528 115.504 0.024 1 1 523 . 20 1 1 A 59 59 THR H H 272 8.085 8.798 -0.713 1 1 524 . 20 1 1 A 59 59 THR HA H 272 3.911 4.037 -0.126 1 1 529 . 20 1 1 A 59 59 THR C C 272 176.131 177.084 -0.953 1 1 530 . 20 1 1 A 59 59 THR CA C 272 65.908 65.131 0.777 1 1 531 . 20 1 1 A 59 59 THR CB C 272 69.045 68.960 0.085 1 1 533 . 20 1 1 A 59 59 THR N N 272 114.864 114.206 0.658 1 1 534 . 20 1 1 A 60 60 THR H H 273 7.875 8.153 -0.278 1 1 535 . 20 1 1 A 60 60 THR HA H 273 3.423 3.829 -0.406 1 1 540 . 20 1 1 A 60 60 THR C C 273 175.166 176.784 -1.618 1 1 541 . 20 1 1 A 60 60 THR CA C 273 67.291 66.769 0.522 1 1 542 . 20 1 1 A 60 60 THR CB C 273 68.824 68.535 0.289 1 1 544 . 20 1 1 A 60 60 THR N N 273 116.718 117.574 -0.856 1 1 545 . 20 1 1 A 61 61 PHE H H 274 8.219 8.326 -0.107 1 1 546 . 20 1 1 A 61 61 PHE HA H 274 4.213 4.346 -0.133 1 1 552 . 20 1 1 A 61 61 PHE C C 274 178.034 178.285 -0.251 1 1 553 . 20 1 1 A 61 61 PHE CA C 274 63.308 61.277 2.031 1 1 554 . 20 1 1 A 61 61 PHE CB C 274 37.080 37.969 -0.889 1 1 558 . 20 1 1 A 61 61 PHE N N 274 114.721 118.794 -4.073 1 1 559 . 20 1 1 A 62 62 GLU H H 275 8.810 8.878 -0.068 1 1 560 . 20 1 1 A 62 62 GLU HA H 275 4.416 3.955 0.461 1 1 565 . 20 1 1 A 62 62 GLU C C 275 181.232 178.712 2.520 1 1 566 . 20 1 1 A 62 62 GLU CA C 275 60.190 60.178 0.012 1 1 567 . 20 1 1 A 62 62 GLU CB C 275 28.990 29.383 -0.393 1 1 569 . 20 1 1 A 62 62 GLU N N 275 123.787 120.548 3.239 1 1 570 . 20 1 1 A 63 63 GLU H H 276 7.698 8.179 -0.481 1 1 571 . 20 1 1 A 63 63 GLU HA H 276 3.871 4.065 -0.194 1 1 575 . 20 1 1 A 63 63 GLU C C 276 176.721 176.988 -0.267 1 1 576 . 20 1 1 A 63 63 GLU CA C 276 58.821 57.907 0.914 1 1 577 . 20 1 1 A 63 63 GLU CB C 276 29.251 29.052 0.199 1 1 579 . 20 1 1 A 63 63 GLU N N 276 120.707 118.307 2.400 1 1 580 . 20 1 1 A 64 64 LEU H H 277 6.708 7.227 -0.519 1 1 581 . 20 1 1 A 64 64 LEU HA H 277 4.148 4.438 -0.290 1 1 589 . 20 1 1 A 64 64 LEU C C 277 174.571 176.107 -1.536 1 1 590 . 20 1 1 A 64 64 LEU CA C 277 54.060 54.685 -0.625 1 1 594 . 20 1 1 A 64 64 LEU N N 277 115.451 118.895 -3.444 1 1 595 . 20 1 1 A 65 65 HIS H H 278 7.388 7.976 -0.588 1 1 596 . 20 1 1 A 65 65 HIS HA H 278 4.259 4.175 0.084 1 1 599 . 20 1 1 A 65 65 HIS C C 278 174.571 173.867 0.704 1 1 600 . 20 1 1 A 65 65 HIS CA C 278 57.737 56.768 0.969 1 1 601 . 20 1 1 A 65 65 HIS CB C 278 26.020 26.642 -0.622 1 1 602 . 20 1 1 A 65 65 HIS N N 278 107.287 115.452 -8.165 1 1 603 . 20 1 1 A 66 66 PHE H H 279 8.554 7.550 1.004 1 1 604 . 20 1 1 A 66 66 PHE HA H 279 4.462 5.230 -0.768 1 1 610 . 20 1 1 A 66 66 PHE C C 279 174.258 174.761 -0.503 1 1 611 . 20 1 1 A 66 66 PHE CA C 279 58.032 56.786 1.246 1 1 612 . 20 1 1 A 66 66 PHE CB C 279 39.809 43.878 -4.069 1 1 616 . 20 1 1 A 66 66 PHE N N 279 117.992 117.373 0.619 1 1 617 . 20 1 1 A 67 67 GLU H H 280 8.403 8.960 -0.557 1 1 618 . 20 1 1 A 67 67 GLU HA H 280 4.631 5.032 -0.401 1 1 621 . 20 1 1 A 67 67 GLU C C 280 174.640 175.398 -0.758 1 1 622 . 20 1 1 A 67 67 GLU CA C 280 55.467 55.621 -0.154 1 1 623 . 20 1 1 A 67 67 GLU CB C 280 30.671 30.784 -0.113 1 1 625 . 20 1 1 A 67 67 GLU N N 280 120.980 119.869 1.111 1 1 626 . 20 1 1 A 68 68 ILE H H 281 8.988 8.947 0.041 1 1 627 . 20 1 1 A 68 68 ILE HA H 281 4.491 4.622 -0.131 1 1 636 . 20 1 1 A 68 68 ILE C C 281 176.177 174.514 1.663 1 1 637 . 20 1 1 A 68 68 ILE CA C 281 59.688 60.602 -0.914 1 1 638 . 20 1 1 A 68 68 ILE CB C 281 35.090 38.153 -3.063 1 1 642 . 20 1 1 A 68 68 ILE N N 281 127.994 126.365 1.629 1 1 643 . 20 1 1 A 69 69 LYS H H 282 8.559 8.681 -0.122 1 1 644 . 20 1 1 A 69 69 LYS HA H 282 4.981 4.918 0.063 1 1 645 . 20 1 1 A 69 69 LYS CA C 282 50.465 52.922 -2.457 1 1 646 . 20 1 1 A 69 69 LYS CB C 282 32.762 33.865 -1.103 1 1 649 . 20 1 1 A 69 69 LYS N N 282 126.350 129.327 -2.977 1 1 650 . 20 1 1 A 70 70 PRO HA H 283 5.133 4.862 0.271 1 1 651 . 20 1 1 A 70 70 PRO C C 283 176.378 175.557 0.821 1 1 652 . 20 1 1 A 70 70 PRO CA C 283 62.027 62.414 -0.387 1 1 653 . 20 1 1 A 70 70 PRO CB C 283 32.856 32.683 0.173 1 1 655 . 20 1 1 A 71 71 HIS H H 284 8.967 8.979 -0.012 1 1 656 . 20 1 1 A 71 71 HIS HA H 284 4.465 4.990 -0.525 1 1 660 . 20 1 1 A 71 71 HIS C C 284 172.714 174.811 -2.097 1 1 661 . 20 1 1 A 71 71 HIS CA C 284 55.994 54.390 1.604 1 1 662 . 20 1 1 A 71 71 HIS CB C 284 33.678 30.436 3.242 1 1 664 . 20 1 1 A 71 71 HIS N N 284 121.708 121.342 0.366 1 1 665 . 20 1 1 A 72 72 ASP H H 285 8.625 8.392 0.233 1 1 666 . 20 1 1 A 72 72 ASP HA H 285 5.695 4.823 0.872 1 1 669 . 20 1 1 A 72 72 ASP C C 285 175.881 175.550 0.331 1 1 670 . 20 1 1 A 72 72 ASP CA C 285 53.201 53.360 -0.159 1 1 671 . 20 1 1 A 72 72 ASP CB C 285 43.758 41.558 2.200 1 1 672 . 20 1 1 A 72 72 ASP N N 285 122.941 123.677 -0.736 1 1 673 . 20 1 1 A 73 73 ASP H H 286 9.212 8.438 0.774 1 1 674 . 20 1 1 A 73 73 ASP HA H 286 4.263 4.219 0.044 1 1 676 . 20 1 1 A 73 73 ASP C C 286 174.368 174.852 -0.484 1 1 677 . 20 1 1 A 73 73 ASP CA C 286 56.488 55.330 1.158 1 1 678 . 20 1 1 A 73 73 ASP CB C 286 39.083 39.332 -0.249 1 1 679 . 20 1 1 A 73 73 ASP N N 286 119.175 116.198 2.977 1 1 680 . 20 1 1 A 74 74 CYS H H 287 8.750 7.685 1.065 1 1 681 . 20 1 1 A 74 74 CYS HA H 287 4.854 4.918 -0.064 1 1 684 . 20 1 1 A 74 74 CYS C C 287 176.146 173.789 2.357 1 1 685 . 20 1 1 A 74 74 CYS CA C 287 58.552 58.168 0.384 1 1 686 . 20 1 1 A 74 74 CYS CB C 287 53.204 29.739 23.465 1 1 687 . 20 1 1 A 74 74 CYS N N 287 119.631 117.176 2.455 1 1 688 . 20 1 1 A 75 75 THR H H 288 8.535 8.779 -0.244 1 1 689 . 20 1 1 A 75 75 THR HA H 288 4.163 4.373 -0.210 1 1 694 . 20 1 1 A 75 75 THR C C 288 174.663 176.090 -1.427 1 1 695 . 20 1 1 A 75 75 THR CA C 288 61.353 62.545 -1.192 1 1 696 . 20 1 1 A 75 75 THR CB C 288 70.100 69.177 0.923 1 1 698 . 20 1 1 A 75 75 THR N N 288 115.998 121.091 -5.093 1 1 699 . 20 1 1 A 76 76 VAL H H 289 8.083 8.715 -0.632 1 1 700 . 20 1 1 A 76 76 VAL HA H 289 3.414 3.441 -0.027 1 1 708 . 20 1 1 A 76 76 VAL C C 289 176.443 177.114 -0.671 1 1 709 . 20 1 1 A 76 76 VAL CA C 289 69.066 66.749 2.317 1 1 710 . 20 1 1 A 76 76 VAL CB C 289 30.361 31.454 -1.093 1 1 713 . 20 1 1 A 76 76 VAL N N 289 120.599 123.825 -3.226 1 1 714 . 20 1 1 A 77 77 GLU H H 290 9.095 8.240 0.855 1 1 715 . 20 1 1 A 77 77 GLU HA H 290 4.027 3.598 0.429 1 1 720 . 20 1 1 A 77 77 GLU C C 290 179.172 177.863 1.309 1 1 721 . 20 1 1 A 77 77 GLU CA C 290 59.831 59.002 0.829 1 1 722 . 20 1 1 A 77 77 GLU CB C 290 29.493 29.487 0.006 1 1 724 . 20 1 1 A 77 77 GLU N N 290 119.191 119.658 -0.467 1 1 725 . 20 1 1 A 78 78 GLN H H 291 7.523 7.980 -0.457 1 1 726 . 20 1 1 A 78 78 GLN HA H 291 4.079 4.273 -0.194 1 1 731 . 20 1 1 A 78 78 GLN C C 291 177.815 177.967 -0.152 1 1 732 . 20 1 1 A 78 78 GLN CA C 291 58.920 57.248 1.672 1 1 734 . 20 1 1 A 78 78 GLN N N 291 117.101 117.288 -0.187 1 1 735 . 20 1 1 A 79 79 ILE H H 292 8.368 7.682 0.686 1 1 736 . 20 1 1 A 79 79 ILE HA H 292 3.427 3.634 -0.207 1 1 746 . 20 1 1 A 79 79 ILE C C 292 177.133 178.029 -0.896 1 1 747 . 20 1 1 A 79 79 ILE CA C 292 67.132 64.331 2.801 1 1 748 . 20 1 1 A 79 79 ILE CB C 292 37.163 37.064 0.099 1 1 752 . 20 1 1 A 79 79 ILE N N 292 120.006 120.459 -0.453 1 1 753 . 20 1 1 A 80 80 TYR H H 293 8.302 7.236 1.066 1 1 754 . 20 1 1 A 80 80 TYR HA H 293 4.179 4.353 -0.174 1 1 759 . 20 1 1 A 80 80 TYR C C 293 178.907 178.729 0.178 1 1 760 . 20 1 1 A 80 80 TYR CA C 293 61.737 60.566 1.171 1 1 761 . 20 1 1 A 80 80 TYR CB C 293 37.201 38.066 -0.865 1 1 764 . 20 1 1 A 80 80 TYR N N 293 116.291 121.007 -4.716 1 1 765 . 20 1 1 A 81 81 GLU H H 294 8.170 9.026 -0.856 1 1 766 . 20 1 1 A 81 81 GLU HA H 294 4.036 4.148 -0.112 1 1 771 . 20 1 1 A 81 81 GLU C C 294 178.414 178.530 -0.116 1 1 772 . 20 1 1 A 81 81 GLU CA C 294 59.768 58.910 0.858 1 1 773 . 20 1 1 A 81 81 GLU CB C 294 29.489 28.064 1.425 1 1 775 . 20 1 1 A 81 81 GLU N N 294 120.325 117.107 3.218 1 1 776 . 20 1 1 A 82 82 ILE H H 295 8.501 7.749 0.752 1 1 777 . 20 1 1 A 82 82 ILE HA H 295 3.675 3.963 -0.288 1 1 787 . 20 1 1 A 82 82 ILE C C 295 177.751 178.129 -0.378 1 1 788 . 20 1 1 A 82 82 ILE CA C 295 65.288 64.056 1.232 1 1 789 . 20 1 1 A 82 82 ILE CB C 295 38.497 38.109 0.388 1 1 793 . 20 1 1 A 82 82 ILE N N 295 120.434 120.972 -0.538 1 1 794 . 20 1 1 A 83 83 LEU H H 296 8.508 7.897 0.611 1 1 795 . 20 1 1 A 83 83 LEU HA H 296 4.289 3.538 0.751 1 1 805 . 20 1 1 A 83 83 LEU C C 296 178.393 179.158 -0.765 1 1 806 . 20 1 1 A 83 83 LEU CA C 296 58.937 57.959 0.978 1 1 807 . 20 1 1 A 83 83 LEU CB C 296 39.626 41.391 -1.765 1 1 811 . 20 1 1 A 83 83 LEU N N 296 116.807 120.597 -3.790 1 1 812 . 20 1 1 A 84 84 LYS H H 297 8.048 7.956 0.092 1 1 813 . 20 1 1 A 84 84 LYS HA H 297 3.967 4.088 -0.121 1 1 820 . 20 1 1 A 84 84 LYS C C 297 177.773 178.638 -0.865 1 1 821 . 20 1 1 A 84 84 LYS CA C 297 58.890 58.917 -0.027 1 1 822 . 20 1 1 A 84 84 LYS CB C 297 31.169 31.879 -0.710 1 1 826 . 20 1 1 A 84 84 LYS N N 297 118.687 117.257 1.430 1 1 827 . 20 1 1 A 85 85 ILE H H 298 7.694 8.006 -0.312 1 1 828 . 20 1 1 A 85 85 ILE HA H 298 3.456 3.774 -0.318 1 1 838 . 20 1 1 A 85 85 ILE C C 298 179.100 178.059 1.041 1 1 839 . 20 1 1 A 85 85 ILE CA C 298 65.307 64.382 0.925 1 1 840 . 20 1 1 A 85 85 ILE CB C 298 36.965 36.828 0.137 1 1 844 . 20 1 1 A 85 85 ILE N N 298 118.157 121.080 -2.923 1 1 845 . 20 1 1 A 86 86 TYR H H 299 7.613 7.855 -0.242 1 1 846 . 20 1 1 A 86 86 TYR HA H 299 4.103 4.448 -0.345 1 1 851 . 20 1 1 A 86 86 TYR C C 299 177.425 178.134 -0.709 1 1 852 . 20 1 1 A 86 86 TYR CA C 299 63.129 60.696 2.433 1 1 853 . 20 1 1 A 86 86 TYR CB C 299 38.745 38.057 0.688 1 1 856 . 20 1 1 A 86 86 TYR N N 299 115.499 120.504 -5.005 1 1 857 . 20 1 1 A 87 87 GLN H H 300 9.112 8.203 0.909 1 1 858 . 20 1 1 A 87 87 GLN HA H 300 3.977 4.195 -0.218 1 1 861 . 20 1 1 A 87 87 GLN C C 300 176.380 178.483 -2.103 1 1 862 . 20 1 1 A 87 87 GLN CA C 300 58.976 58.358 0.618 1 1 863 . 20 1 1 A 87 87 GLN CB C 300 28.819 28.437 0.382 1 1 865 . 20 1 1 A 87 87 GLN N N 300 125.039 121.470 3.569 1 1 866 . 20 1 1 A 88 88 LEU H H 301 7.536 7.701 -0.165 1 1 867 . 20 1 1 A 88 88 LEU HA H 301 4.309 4.081 0.228 1 1 877 . 20 1 1 A 88 88 LEU C C 301 177.129 179.778 -2.649 1 1 878 . 20 1 1 A 88 88 LEU CA C 301 55.142 57.931 -2.789 1 1 879 . 20 1 1 A 88 88 LEU CB C 301 41.809 40.860 0.949 1 1 883 . 20 1 1 A 88 88 LEU N N 301 115.623 119.701 -4.078 1 1 884 . 20 1 1 A 89 89 MET H H 302 7.025 8.013 -0.988 1 1 885 . 20 1 1 A 89 89 MET HA H 302 4.031 4.285 -0.254 1 1 893 . 20 1 1 A 89 89 MET C C 302 172.664 176.057 -3.393 1 1 894 . 20 1 1 A 89 89 MET CA C 302 55.513 58.818 -3.305 1 1 895 . 20 1 1 A 89 89 MET CB C 302 33.748 33.002 0.746 1 1 898 . 20 1 1 A 89 89 MET N N 302 120.789 118.572 2.217 1 1 899 . 20 1 1 A 90 90 ASP H H 303 8.056 8.132 -0.076 1 1 900 . 20 1 1 A 90 90 ASP HA H 303 4.746 4.266 0.480 1 1 903 . 20 1 1 A 90 90 ASP C C 303 177.139 174.770 2.369 1 1 904 . 20 1 1 A 90 90 ASP CA C 303 54.411 54.872 -0.461 1 1 905 . 20 1 1 A 90 90 ASP CB C 303 40.987 39.356 1.631 1 1 906 . 20 1 1 A 90 90 ASP N N 303 117.873 119.221 -1.348 1 1 907 . 20 1 1 A 91 91 HIS H H 304 9.371 7.862 1.509 1 1 908 . 20 1 1 A 91 91 HIS HA H 304 4.657 4.825 -0.168 1 1 912 . 20 1 1 A 91 91 HIS C C 304 177.332 175.019 2.313 1 1 913 . 20 1 1 A 91 91 HIS CA C 304 56.031 55.084 0.947 1 1 914 . 20 1 1 A 91 91 HIS CB C 304 31.150 32.385 -1.235 1 1 916 . 20 1 1 A 91 91 HIS N N 304 126.666 118.096 8.570 1 1 917 . 20 1 1 A 92 92 SER H H 305 8.952 8.619 0.333 1 1 918 . 20 1 1 A 92 92 SER HA H 305 4.055 4.654 -0.599 1 1 921 . 20 1 1 A 92 92 SER CA C 305 63.687 58.379 5.308 1 1 922 . 20 1 1 A 92 92 SER CB C 305 62.694 63.946 -1.252 1 1 923 . 20 1 1 A 92 92 SER N N 305 118.610 115.752 2.858 1 1 924 . 20 1 1 A 93 93 ASN H H 306 8.745 7.845 0.900 1 1 925 . 20 1 1 A 93 93 ASN HA H 306 4.803 4.963 -0.160 1 1 928 . 20 1 1 A 93 93 ASN C C 306 173.428 174.882 -1.454 1 1 929 . 20 1 1 A 93 93 ASN CA C 306 53.018 50.675 2.343 1 1 930 . 20 1 1 A 93 93 ASN CB C 306 38.033 39.991 -1.958 1 1 931 . 20 1 1 A 93 93 ASN N N 306 116.257 118.396 -2.139 1 1 932 . 20 1 1 A 94 94 MET H H 307 7.942 8.995 -1.053 1 1 933 . 20 1 1 A 94 94 MET HA H 307 4.683 4.048 0.635 1 1 939 . 20 1 1 A 94 94 MET C C 307 174.640 176.231 -1.591 1 1 940 . 20 1 1 A 94 94 MET CA C 307 53.564 56.002 -2.438 1 1 941 . 20 1 1 A 94 94 MET CB C 307 33.988 31.061 2.927 1 1 944 . 20 1 1 A 94 94 MET N N 307 117.799 118.738 -0.939 1 1 945 . 20 1 1 A 95 95 ASP H H 308 8.276 7.966 0.310 1 1 946 . 20 1 1 A 95 95 ASP HA H 308 5.172 4.327 0.845 1 1 949 . 20 1 1 A 95 95 ASP C C 308 176.264 176.355 -0.091 1 1 950 . 20 1 1 A 95 95 ASP CA C 308 55.617 56.668 -1.051 1 1 951 . 20 1 1 A 95 95 ASP CB C 308 45.114 40.900 4.214 1 1 952 . 20 1 1 A 95 95 ASP N N 308 119.567 121.171 -1.604 1 1 953 . 20 1 1 A 96 96 CYS H H 309 8.215 7.639 0.576 1 1 954 . 20 1 1 A 96 96 CYS HA H 309 4.680 4.565 0.115 1 1 957 . 20 1 1 A 96 96 CYS C C 309 170.157 174.095 -3.938 1 1 958 . 20 1 1 A 96 96 CYS CA C 309 57.203 59.375 -2.172 1 1 959 . 20 1 1 A 96 96 CYS CB C 309 52.974 28.569 24.405 1 1 960 . 20 1 1 A 96 96 CYS N N 309 118.264 115.663 2.601 1 1 961 . 20 1 1 A 97 97 PHE H H 310 8.108 8.819 -0.711 1 1 962 . 20 1 1 A 97 97 PHE HA H 310 5.071 4.923 0.148 1 1 967 . 20 1 1 A 97 97 PHE C C 310 171.279 173.347 -2.068 1 1 968 . 20 1 1 A 97 97 PHE CA C 310 57.910 58.322 -0.412 1 1 969 . 20 1 1 A 97 97 PHE CB C 310 44.724 42.009 2.715 1 1 972 . 20 1 1 A 97 97 PHE N N 310 125.767 124.452 1.315 1 1 973 . 20 1 1 A 98 98 ILE H H 311 7.647 8.766 -1.119 1 1 974 . 20 1 1 A 98 98 ILE HA H 311 4.581 4.917 -0.336 1 1 984 . 20 1 1 A 98 98 ILE C C 311 172.012 174.212 -2.200 1 1 985 . 20 1 1 A 98 98 ILE CA C 311 58.312 59.485 -1.173 1 1 986 . 20 1 1 A 98 98 ILE CB C 311 39.964 41.204 -1.240 1 1 990 . 20 1 1 A 98 98 ILE N N 311 125.102 127.559 -2.457 1 1 991 . 20 1 1 A 99 99 CYS H H 312 8.309 9.029 -0.720 1 1 992 . 20 1 1 A 99 99 CYS HA H 312 4.471 4.931 -0.460 1 1 993 . 20 1 1 A 99 99 CYS C C 312 171.965 173.194 -1.229 1 1 994 . 20 1 1 A 99 99 CYS CA C 312 56.347 57.084 -0.737 1 1 995 . 20 1 1 A 99 99 CYS CB C 312 51.093 29.279 21.814 1 1 996 . 20 1 1 A 99 99 CYS N N 312 124.548 127.133 -2.585 1 1 997 . 20 1 1 A 100 100 CYS H H 313 9.116 9.127 -0.011 1 1 998 . 20 1 1 A 100 100 CYS HA H 313 5.880 5.351 0.529 1 1 1001 . 20 1 1 A 100 100 CYS C C 313 173.635 173.449 0.186 1 1 1002 . 20 1 1 A 100 100 CYS CA C 313 55.906 57.170 -1.264 1 1 1003 . 20 1 1 A 100 100 CYS CB C 313 52.685 30.664 22.021 1 1 1004 . 20 1 1 A 100 100 CYS N N 313 127.015 127.960 -0.945 1 1 1005 . 20 1 1 A 101 101 ILE H H 314 8.896 9.037 -0.141 1 1 1006 . 20 1 1 A 101 101 ILE HA H 314 4.737 4.831 -0.094 1 1 1016 . 20 1 1 A 101 101 ILE C C 314 172.277 175.514 -3.237 1 1 1017 . 20 1 1 A 101 101 ILE CA C 314 60.937 59.700 1.237 1 1 1018 . 20 1 1 A 101 101 ILE CB C 314 40.848 42.557 -1.709 1 1 1022 . 20 1 1 A 101 101 ILE N N 314 121.994 125.262 -3.268 1 1 1023 . 20 1 1 A 102 102 LEU H H 315 8.951 8.259 0.692 1 1 1024 . 20 1 1 A 102 102 LEU HA H 315 5.285 4.499 0.786 1 1 1029 . 20 1 1 A 102 102 LEU C C 315 174.789 176.548 -1.759 1 1 1030 . 20 1 1 A 102 102 LEU CA C 315 52.489 55.681 -3.192 1 1 1031 . 20 1 1 A 102 102 LEU CB C 315 40.041 44.253 -4.212 1 1 1034 . 20 1 1 A 102 102 LEU N N 315 127.404 128.423 -1.019 1 1 1035 . 20 1 1 A 103 103 SER H H 316 9.096 7.593 1.503 1 1 1036 . 20 1 1 A 103 103 SER HA H 316 4.680 4.490 0.190 1 1 1039 . 20 1 1 A 103 103 SER C C 316 174.555 174.310 0.245 1 1 1040 . 20 1 1 A 103 103 SER CA C 316 56.403 58.510 -2.107 1 1 1041 . 20 1 1 A 103 103 SER CB C 316 63.224 63.678 -0.454 1 1 1042 . 20 1 1 A 103 103 SER N N 316 113.273 112.944 0.329 1 1 1043 . 20 1 1 A 104 104 HIS H H 317 7.515 8.702 -1.187 1 1 1044 . 20 1 1 A 104 104 HIS HA H 317 5.214 4.545 0.669 1 1 1048 . 20 1 1 A 104 104 HIS C C 317 175.667 176.220 -0.553 1 1 1049 . 20 1 1 A 104 104 HIS CA C 317 56.371 56.994 -0.623 1 1 1050 . 20 1 1 A 104 104 HIS CB C 317 34.676 30.746 3.930 1 1 1052 . 20 1 1 A 104 104 HIS N N 317 114.740 123.312 -8.572 1 1 1053 . 20 1 1 A 105 105 GLY H H 318 8.368 8.372 -0.004 1 1 1054 . 20 1 1 A 105 105 GLY C C 318 169.470 174.123 -4.653 1 1 1055 . 20 1 1 A 105 105 GLY CA C 318 45.558 45.852 -0.294 1 1 1056 . 20 1 1 A 105 105 GLY N N 318 107.330 112.190 -4.860 1 1 1057 . 20 1 1 A 106 106 ASP H H 319 7.943 8.295 -0.352 1 1 1058 . 20 1 1 A 106 106 ASP HA H 319 4.622 4.897 -0.275 1 1 1061 . 20 1 1 A 106 106 ASP C C 319 175.179 175.016 0.163 1 1 1062 . 20 1 1 A 106 106 ASP CA C 319 53.188 55.158 -1.970 1 1 1063 . 20 1 1 A 106 106 ASP CB C 319 43.555 42.428 1.127 1 1 1064 . 20 1 1 A 106 106 ASP N N 319 116.893 118.845 -1.952 1 1 1065 . 20 1 1 A 107 107 LYS H H 320 9.376 7.904 1.472 1 1 1066 . 20 1 1 A 107 107 LYS HA H 320 3.956 4.571 -0.615 1 1 1075 . 20 1 1 A 107 107 LYS C C 320 176.864 176.841 0.023 1 1 1076 . 20 1 1 A 107 107 LYS CA C 320 58.567 55.037 3.530 1 1 1077 . 20 1 1 A 107 107 LYS CB C 320 30.568 36.222 -5.654 1 1 1081 . 20 1 1 A 107 107 LYS N N 320 122.539 118.241 4.298 1 1 1082 . 20 1 1 A 108 108 GLY H H 321 9.025 8.562 0.463 1 1 1083 . 20 1 1 A 108 108 GLY C C 321 173.633 174.209 -0.576 1 1 1084 . 20 1 1 A 108 108 GLY CA C 321 45.491 45.539 -0.048 1 1 1085 . 20 1 1 A 108 108 GLY N N 321 111.919 111.180 0.739 1 1 1086 . 20 1 1 A 109 109 ILE H H 322 8.157 8.153 0.004 1 1 1087 . 20 1 1 A 109 109 ILE HA H 322 4.994 4.214 0.780 1 1 1097 . 20 1 1 A 109 109 ILE C C 322 174.524 175.923 -1.399 1 1 1098 . 20 1 1 A 109 109 ILE CA C 322 59.009 60.813 -1.804 1 1 1099 . 20 1 1 A 109 109 ILE CB C 322 43.375 38.769 4.606 1 1 1103 . 20 1 1 A 109 109 ILE N N 322 116.465 119.437 -2.972 1 1 1104 . 20 1 1 A 110 110 ILE H H 323 8.443 8.313 0.130 1 1 1105 . 20 1 1 A 110 110 ILE HA H 323 4.530 4.155 0.375 1 1 1115 . 20 1 1 A 110 110 ILE C C 323 174.337 176.923 -2.586 1 1 1116 . 20 1 1 A 110 110 ILE CA C 323 58.547 60.267 -1.720 1 1 1117 . 20 1 1 A 110 110 ILE CB C 323 41.604 39.614 1.990 1 1 1121 . 20 1 1 A 110 110 ILE N N 323 116.661 120.642 -3.981 1 1 1122 . 20 1 1 A 111 111 TYR H H 324 8.584 8.168 0.416 1 1 1123 . 20 1 1 A 111 111 TYR HA H 324 5.557 4.276 1.281 1 1 1128 . 20 1 1 A 111 111 TYR C C 324 178.528 175.544 2.984 1 1 1129 . 20 1 1 A 111 111 TYR CA C 324 56.571 60.468 -3.897 1 1 1130 . 20 1 1 A 111 111 TYR CB C 324 39.984 38.599 1.385 1 1 1133 . 20 1 1 A 111 111 TYR N N 324 119.472 122.828 -3.356 1 1 1134 . 20 1 1 A 112 112 GLY H H 325 8.522 7.724 0.798 1 1 1135 . 20 1 1 A 112 112 GLY C C 325 174.755 174.625 0.130 1 1 1136 . 20 1 1 A 112 112 GLY CA C 325 43.145 45.848 -2.703 1 1 1137 . 20 1 1 A 112 112 GLY N N 325 107.078 108.400 -1.322 1 1 1138 . 20 1 1 A 113 113 THR H H 326 8.245 8.799 -0.554 1 1 1139 . 20 1 1 A 113 113 THR HA H 326 3.186 4.458 -1.272 1 1 1144 . 20 1 1 A 113 113 THR C C 326 173.264 175.948 -2.684 1 1 1145 . 20 1 1 A 113 113 THR CA C 326 64.857 62.812 2.045 1 1 1146 . 20 1 1 A 113 113 THR CB C 326 66.749 69.914 -3.165 1 1 1148 . 20 1 1 A 113 113 THR N N 326 113.146 117.335 -4.189 1 1 1149 . 20 1 1 A 114 114 ASP H H 327 8.801 8.259 0.542 1 1 1150 . 20 1 1 A 114 114 ASP HA H 327 4.099 4.754 -0.655 1 1 1153 . 20 1 1 A 114 114 ASP C C 327 176.262 178.043 -1.781 1 1 1154 . 20 1 1 A 114 114 ASP CA C 327 52.768 55.623 -2.855 1 1 1155 . 20 1 1 A 114 114 ASP CB C 327 39.312 41.426 -2.114 1 1 1156 . 20 1 1 A 114 114 ASP N N 327 112.026 121.541 -9.515 1 1 1157 . 20 1 1 A 115 115 GLY H H 328 8.462 8.057 0.405 1 1 1158 . 20 1 1 A 115 115 GLY HA2 H 328 4.010 4.010 0.000 1 1 1159 . 20 1 1 A 115 115 GLY HA3 H 328 4.010 4.013 -0.003 1 1 1160 . 20 1 1 A 115 115 GLY C C 328 171.918 174.129 -2.211 1 1 1161 . 20 1 1 A 115 115 GLY CA C 328 45.463 45.287 0.176 1 1 1162 . 20 1 1 A 115 115 GLY N N 328 107.749 107.631 0.118 1 1 1163 . 20 1 1 A 116 116 GLN H H 329 6.657 7.792 -1.135 1 1 1164 . 20 1 1 A 116 116 GLN HA H 329 4.441 4.472 -0.031 1 1 1170 . 20 1 1 A 116 116 GLN C C 329 174.196 175.916 -1.720 1 1 1171 . 20 1 1 A 116 116 GLN CA C 329 55.204 56.869 -1.665 1 1 1172 . 20 1 1 A 116 116 GLN CB C 329 28.541 29.507 -0.966 1 1 1174 . 20 1 1 A 116 116 GLN N N 329 115.146 119.706 -4.560 1 1 1176 . 20 1 1 A 117 117 GLU H H 330 8.624 8.908 -0.284 1 1 1177 . 20 1 1 A 117 117 GLU HA H 330 4.733 4.636 0.097 1 1 1178 . 20 1 1 A 117 117 GLU C C 330 175.357 176.164 -0.807 1 1 1179 . 20 1 1 A 117 117 GLU CA C 330 55.191 55.478 -0.287 1 1 1180 . 20 1 1 A 117 117 GLU CB C 330 32.586 30.576 2.010 1 1 1182 . 20 1 1 A 117 117 GLU N N 330 119.031 123.856 -4.825 1 1 1183 . 20 1 1 A 118 118 ALA H H 331 8.995 7.942 1.053 1 1 1184 . 20 1 1 A 118 118 ALA HA H 331 5.165 4.428 0.737 1 1 1188 . 20 1 1 A 118 118 ALA C C 331 173.650 176.644 -2.994 1 1 1189 . 20 1 1 A 118 118 ALA CA C 331 48.343 54.311 -5.968 1 1 1190 . 20 1 1 A 118 118 ALA CB C 331 20.353 18.239 2.114 1 1 1191 . 20 1 1 A 118 118 ALA N N 331 123.550 121.308 2.242 1 1 1192 . 20 1 1 A 119 119 PRO HA H 332 4.819 4.812 0.007 1 1 1193 . 20 1 1 A 119 119 PRO C C 332 177.819 177.380 0.439 1 1 1194 . 20 1 1 A 119 119 PRO CA C 332 62.007 62.333 -0.326 1 1 1195 . 20 1 1 A 119 119 PRO CB C 332 32.081 30.211 1.870 1 1 1197 . 20 1 1 A 120 120 ILE H H 333 8.574 8.393 0.181 1 1 1198 . 20 1 1 A 120 120 ILE HA H 333 3.278 3.930 -0.652 1 1 1206 . 20 1 1 A 120 120 ILE C C 333 177.316 177.005 0.311 1 1 1207 . 20 1 1 A 120 120 ILE CA C 333 66.025 63.309 2.716 1 1 1208 . 20 1 1 A 120 120 ILE CB C 333 37.991 37.792 0.199 1 1 1212 . 20 1 1 A 120 120 ILE N N 333 126.740 125.912 0.828 1 1 1213 . 20 1 1 A 121 121 TYR H H 334 9.192 7.812 1.380 1 1 1214 . 20 1 1 A 121 121 TYR HA H 334 3.942 4.430 -0.488 1 1 1219 . 20 1 1 A 121 121 TYR C C 334 177.847 176.847 1.000 1 1 1220 . 20 1 1 A 121 121 TYR CA C 334 60.688 59.440 1.248 1 1 1221 . 20 1 1 A 121 121 TYR CB C 334 38.803 39.142 -0.339 1 1 1224 . 20 1 1 A 121 121 TYR N N 334 117.479 120.471 -2.992 1 1 1225 . 20 1 1 A 122 122 GLU H H 335 7.178 8.057 -0.879 1 1 1226 . 20 1 1 A 122 122 GLU HA H 335 3.751 4.471 -0.720 1 1 1228 . 20 1 1 A 122 122 GLU C C 335 176.427 178.463 -2.036 1 1 1229 . 20 1 1 A 122 122 GLU CA C 335 58.378 57.418 0.960 1 1 1230 . 20 1 1 A 122 122 GLU CB C 335 29.477 31.046 -1.569 1 1 1232 . 20 1 1 A 122 122 GLU N N 335 115.885 119.549 -3.664 1 1 1233 . 20 1 1 A 123 123 LEU H H 336 7.440 8.217 -0.777 1 1 1234 . 20 1 1 A 123 123 LEU HA H 336 4.123 3.984 0.139 1 1 1244 . 20 1 1 A 123 123 LEU C C 336 177.925 179.632 -1.707 1 1 1245 . 20 1 1 A 123 123 LEU CA C 336 56.646 57.867 -1.221 1 1 1246 . 20 1 1 A 123 123 LEU CB C 336 40.661 42.047 -1.386 1 1 1250 . 20 1 1 A 123 123 LEU N N 336 115.934 120.702 -4.768 1 1 1251 . 20 1 1 A 124 124 THR H H 337 8.009 8.194 -0.185 1 1 1252 . 20 1 1 A 124 124 THR HA H 337 3.597 4.463 -0.866 1 1 1257 . 20 1 1 A 124 124 THR C C 337 177.568 175.854 1.714 1 1 1258 . 20 1 1 A 124 124 THR CA C 337 64.110 64.759 -0.649 1 1 1259 . 20 1 1 A 124 124 THR CB C 337 67.603 68.521 -0.918 1 1 1261 . 20 1 1 A 124 124 THR N N 337 107.827 110.507 -2.680 1 1 1262 . 20 1 1 A 125 125 SER H H 338 7.435 7.813 -0.378 1 1 1263 . 20 1 1 A 125 125 SER HA H 338 3.723 4.446 -0.723 1 1 1266 . 20 1 1 A 125 125 SER C C 338 174.040 175.006 -0.966 1 1 1267 . 20 1 1 A 125 125 SER CA C 338 60.514 58.757 1.757 1 1 1268 . 20 1 1 A 125 125 SER CB C 338 62.391 62.836 -0.445 1 1 1269 . 20 1 1 A 125 125 SER N N 338 112.670 117.061 -4.391 1 1 1270 . 20 1 1 A 126 126 GLN H H 339 7.071 7.731 -0.660 1 1 1271 . 20 1 1 A 126 126 GLN HA H 339 3.850 4.407 -0.557 1 1 1276 . 20 1 1 A 126 126 GLN C C 339 173.915 177.140 -3.225 1 1 1277 . 20 1 1 A 126 126 GLN CA C 339 56.106 56.145 -0.039 1 1 1278 . 20 1 1 A 126 126 GLN CB C 339 27.028 29.699 -2.671 1 1 1280 . 20 1 1 A 126 126 GLN N N 339 117.347 119.421 -2.074 1 1 1281 . 20 1 1 A 127 127 PHE H H 340 7.355 7.666 -0.311 1 1 1282 . 20 1 1 A 127 127 PHE HA H 340 4.515 4.696 -0.181 1 1 1285 . 20 1 1 A 127 127 PHE C C 340 175.241 175.945 -0.704 1 1 1286 . 20 1 1 A 127 127 PHE CA C 340 57.914 57.220 0.694 1 1 1287 . 20 1 1 A 127 127 PHE CB C 340 38.496 39.792 -1.296 1 1 1288 . 20 1 1 A 127 127 PHE N N 340 110.412 114.327 -3.915 1 1 1289 . 20 1 1 A 128 128 THR H H 341 6.785 7.180 -0.395 1 1 1290 . 20 1 1 A 128 128 THR HA H 341 4.294 3.784 0.510 1 1 1295 . 20 1 1 A 128 128 THR C C 341 174.727 176.191 -1.464 1 1 1296 . 20 1 1 A 128 128 THR CA C 341 62.016 63.630 -1.614 1 1 1297 . 20 1 1 A 128 128 THR CB C 341 69.757 69.383 0.374 1 1 1299 . 20 1 1 A 128 128 THR N N 341 107.455 115.803 -8.348 1 1 1300 . 20 1 1 A 129 129 GLY H H 342 10.506 8.634 1.872 1 1 1301 . 20 1 1 A 129 129 GLY HA2 H 342 3.841 3.842 -0.001 1 1 1302 . 20 1 1 A 129 129 GLY HA3 H 342 3.648 3.848 -0.200 1 1 1303 . 20 1 1 A 129 129 GLY C C 342 175.631 174.604 1.027 1 1 1304 . 20 1 1 A 129 129 GLY CA C 342 47.056 46.583 0.473 1 1 1305 . 20 1 1 A 129 129 GLY N N 342 111.023 113.999 -2.976 1 1 1306 . 20 1 1 A 130 130 LEU H H 343 8.003 7.823 0.180 1 1 1307 . 20 1 1 A 130 130 LEU HA H 343 4.135 4.423 -0.288 1 1 1317 . 20 1 1 A 130 130 LEU C C 343 178.627 177.175 1.452 1 1 1318 . 20 1 1 A 130 130 LEU CA C 343 56.606 54.895 1.711 1 1 1319 . 20 1 1 A 130 130 LEU CB C 343 42.399 42.012 0.387 1 1 1323 . 20 1 1 A 130 130 LEU N N 343 116.983 119.317 -2.334 1 1 1324 . 20 1 1 A 131 131 LYS H H 344 6.961 7.860 -0.899 1 1 1325 . 20 1 1 A 131 131 LYS HA H 344 4.001 4.447 -0.446 1 1 1333 . 20 1 1 A 131 131 LYS C C 344 176.224 176.811 -0.587 1 1 1334 . 20 1 1 A 131 131 LYS CA C 344 57.534 56.420 1.114 1 1 1335 . 20 1 1 A 131 131 LYS CB C 344 33.404 35.338 -1.934 1 1 1339 . 20 1 1 A 131 131 LYS N N 344 116.907 116.066 0.841 1 1 1340 . 20 1 1 A 132 132 CYS H H 345 8.564 8.457 0.107 1 1 1341 . 20 1 1 A 132 132 CYS HA H 345 4.930 4.956 -0.026 1 1 1344 . 20 1 1 A 132 132 CYS C C 345 172.261 171.933 0.328 1 1 1345 . 20 1 1 A 132 132 CYS CA C 345 56.566 56.428 0.138 1 1 1346 . 20 1 1 A 132 132 CYS CB C 345 49.011 27.864 21.147 1 1 1347 . 20 1 1 A 132 132 CYS N N 345 117.718 117.405 0.313 1 1 1348 . 20 1 1 A 133 133 PRO HA H 346 4.719 4.692 0.027 1 1 1354 . 20 1 1 A 133 133 PRO C C 346 179.500 176.256 3.244 1 1 1355 . 20 1 1 A 133 133 PRO CA C 346 62.681 62.223 0.458 1 1 1356 . 20 1 1 A 133 133 PRO CB C 346 34.366 29.250 5.116 1 1 1359 . 20 1 1 A 134 134 SER H H 347 8.896 8.999 -0.103 1 1 1360 . 20 1 1 A 134 134 SER HA H 347 4.415 4.565 -0.150 1 1 1363 . 20 1 1 A 134 134 SER C C 347 174.434 175.574 -1.140 1 1 1364 . 20 1 1 A 134 134 SER CA C 347 60.509 60.995 -0.486 1 1 1365 . 20 1 1 A 134 134 SER CB C 347 62.207 64.135 -1.928 1 1 1366 . 20 1 1 A 134 134 SER N N 347 112.882 118.110 -5.228 1 1 1367 . 20 1 1 A 135 135 LEU H H 348 7.549 7.845 -0.296 1 1 1368 . 20 1 1 A 135 135 LEU HA H 348 4.466 4.646 -0.180 1 1 1378 . 20 1 1 A 135 135 LEU C C 348 176.458 177.023 -0.565 1 1 1379 . 20 1 1 A 135 135 LEU CA C 348 53.787 54.575 -0.788 1 1 1380 . 20 1 1 A 135 135 LEU CB C 348 44.189 42.876 1.313 1 1 1384 . 20 1 1 A 135 135 LEU N N 348 118.501 116.866 1.635 1 1 1385 . 20 1 1 A 136 136 ALA H H 349 7.776 8.104 -0.328 1 1 1386 . 20 1 1 A 136 136 ALA HA H 349 4.056 4.269 -0.213 1 1 1390 . 20 1 1 A 136 136 ALA C C 349 178.620 179.886 -1.266 1 1 1391 . 20 1 1 A 136 136 ALA CA C 349 54.406 55.608 -1.202 1 1 1392 . 20 1 1 A 136 136 ALA CB C 349 17.934 18.262 -0.328 1 1 1393 . 20 1 1 A 136 136 ALA N N 349 125.801 123.887 1.914 1 1 1394 . 20 1 1 A 137 137 GLY H H 350 9.371 8.387 0.984 1 1 1395 . 20 1 1 A 137 137 GLY C C 350 173.026 173.696 -0.670 1 1 1396 . 20 1 1 A 137 137 GLY CA C 350 45.132 45.916 -0.784 1 1 1397 . 20 1 1 A 137 137 GLY N N 350 111.181 106.033 5.148 1 1 1398 . 20 1 1 A 138 138 LYS H H 351 8.038 8.069 -0.031 1 1 1399 . 20 1 1 A 138 138 LYS HA H 351 4.660 4.886 -0.226 1 1 1400 . 20 1 1 A 138 138 LYS C C 351 172.078 174.816 -2.738 1 1 1401 . 20 1 1 A 138 138 LYS CA C 351 52.728 53.145 -0.417 1 1 1402 . 20 1 1 A 138 138 LYS CB C 351 32.069 35.432 -3.363 1 1 1404 . 20 1 1 A 138 138 LYS N N 351 119.821 120.835 -1.014 1 1 1405 . 20 1 1 A 139 139 PRO HA H 352 4.300 4.819 -0.519 1 1 1412 . 20 1 1 A 139 139 PRO C C 352 173.954 175.738 -1.784 1 1 1413 . 20 1 1 A 139 139 PRO CA C 352 62.595 62.571 0.024 1 1 1414 . 20 1 1 A 139 139 PRO CB C 352 31.399 33.052 -1.653 1 1 1417 . 20 1 1 A 140 140 LYS H H 353 8.188 8.739 -0.551 1 1 1418 . 20 1 1 A 140 140 LYS HA H 353 4.610 5.018 -0.408 1 1 1419 . 20 1 1 A 140 140 LYS C C 353 173.494 175.032 -1.538 1 1 1420 . 20 1 1 A 140 140 LYS CA C 353 55.344 55.051 0.293 1 1 1421 . 20 1 1 A 140 140 LYS CB C 353 32.527 37.561 -5.034 1 1 1423 . 20 1 1 A 140 140 LYS N N 353 123.304 120.360 2.944 1 1 1424 . 20 1 1 A 141 141 VAL H H 354 8.344 8.259 0.085 1 1 1425 . 20 1 1 A 141 141 VAL HA H 354 4.533 4.769 -0.236 1 1 1433 . 20 1 1 A 141 141 VAL C C 354 172.277 173.577 -1.300 1 1 1434 . 20 1 1 A 141 141 VAL CA C 354 60.596 59.527 1.069 1 1 1435 . 20 1 1 A 141 141 VAL CB C 354 33.580 35.660 -2.080 1 1 1438 . 20 1 1 A 141 141 VAL N N 354 122.550 120.907 1.643 1 1 1439 . 20 1 1 A 142 142 PHE H H 355 8.985 8.771 0.214 1 1 1440 . 20 1 1 A 142 142 PHE HA H 355 5.436 5.223 0.213 1 1 1441 . 20 1 1 A 142 142 PHE C C 355 173.666 171.983 1.683 1 1 1442 . 20 1 1 A 142 142 PHE CA C 355 54.968 55.305 -0.337 1 1 1443 . 20 1 1 A 142 142 PHE CB C 355 42.877 42.275 0.602 1 1 1444 . 20 1 1 A 142 142 PHE N N 355 123.850 120.982 2.868 1 1 1445 . 20 1 1 A 143 143 PHE H H 356 8.584 8.420 0.164 1 1 1446 . 20 1 1 A 143 143 PHE HA H 356 5.934 4.753 1.181 1 1 1449 . 20 1 1 A 143 143 PHE C C 356 174.526 174.948 -0.422 1 1 1450 . 20 1 1 A 143 143 PHE CA C 356 55.909 56.769 -0.860 1 1 1451 . 20 1 1 A 143 143 PHE CB C 356 39.923 38.918 1.005 1 1 1454 . 20 1 1 A 143 143 PHE N N 356 119.801 119.416 0.385 1 1 1455 . 20 1 1 A 144 144 ILE H H 357 9.020 8.573 0.447 1 1 1456 . 20 1 1 A 144 144 ILE HA H 357 5.040 4.051 0.989 1 1 1466 . 20 1 1 A 144 144 ILE C C 357 173.323 174.581 -1.258 1 1 1467 . 20 1 1 A 144 144 ILE CA C 357 59.479 61.828 -2.349 1 1 1468 . 20 1 1 A 144 144 ILE CB C 357 40.898 38.866 2.032 1 1 1472 . 20 1 1 A 144 144 ILE N N 357 121.194 126.790 -5.596 1 1 1473 . 20 1 1 A 145 145 GLN H H 358 8.856 8.697 0.159 1 1 1474 . 20 1 1 A 145 145 GLN HA H 358 4.670 5.152 -0.482 1 1 1475 . 20 1 1 A 145 145 GLN C C 358 171.591 174.738 -3.147 1 1 1476 . 20 1 1 A 145 145 GLN CA C 358 53.648 54.146 -0.498 1 1 1477 . 20 1 1 A 145 145 GLN CB C 358 30.373 31.835 -1.462 1 1 1479 . 20 1 1 A 145 145 GLN N N 358 128.880 126.061 2.819 1 1 1480 . 20 1 1 A 146 146 ALA H H 359 8.418 9.023 -0.605 1 1 1481 . 20 1 1 A 146 146 ALA HA H 359 5.247 5.099 0.148 1 1 1485 . 20 1 1 A 146 146 ALA C C 359 175.319 176.001 -0.682 1 1 1486 . 20 1 1 A 146 146 ALA CA C 359 50.243 51.295 -1.052 1 1 1487 . 20 1 1 A 146 146 ALA CB C 359 18.786 22.671 -3.885 1 1 1488 . 20 1 1 A 146 146 ALA N N 359 128.349 128.676 -0.327 1 1 1489 . 20 1 1 A 147 147 ALA H H 360 8.161 8.775 -0.614 1 1 1490 . 20 1 1 A 147 147 ALA HA H 360 4.343 5.156 -0.813 1 1 1494 . 20 1 1 A 147 147 ALA C C 360 177.238 175.905 1.333 1 1 1495 . 20 1 1 A 147 147 ALA CA C 360 52.078 51.127 0.951 1 1 1496 . 20 1 1 A 147 147 ALA CB C 360 20.003 21.194 -1.191 1 1 1497 . 20 1 1 A 147 147 ALA N N 360 123.005 123.763 -0.758 1 1 1498 . 20 1 1 A 148 148 GLN H H 361 8.461 8.635 -0.174 1 1 1499 . 20 1 1 A 148 148 GLN HA H 361 4.663 4.746 -0.083 1 1 1504 . 20 1 1 A 148 148 GLN C C 361 176.333 174.128 2.205 1 1 1505 . 20 1 1 A 148 148 GLN CA C 361 55.760 54.942 0.818 1 1 1506 . 20 1 1 A 148 148 GLN CB C 361 29.937 32.550 -2.613 1 1 1508 . 20 1 1 A 148 148 GLN N N 361 120.296 121.993 -1.697 1 1 1509 . 20 1 1 A 149 149 GLY H H 362 8.631 8.258 0.373 1 1 1510 . 20 1 1 A 149 149 GLY HA2 H 362 3.858 4.001 -0.143 1 1 1511 . 20 1 1 A 149 149 GLY HA3 H 362 3.858 4.082 -0.224 1 1 1512 . 20 1 1 A 149 149 GLY C C 362 172.022 174.151 -2.129 1 1 1513 . 20 1 1 A 149 149 GLY CA C 362 44.969 45.737 -0.768 1 1 1514 . 20 1 1 A 149 149 GLY N N 362 109.782 109.891 -0.109 1 1 1515 . 20 1 1 A 150 150 ASP H H 363 7.566 8.004 -0.438 1 1 1516 . 20 1 1 A 150 150 ASP HA H 363 4.661 4.767 -0.106 1 1 1519 . 20 1 1 A 150 150 ASP C C 363 174.446 175.112 -0.666 1 1 1520 . 20 1 1 A 150 150 ASP CA C 363 57.776 53.214 4.562 1 1 1521 . 20 1 1 A 150 150 ASP CB C 363 39.423 40.541 -1.118 1 1 1522 . 20 1 1 A 150 150 ASP N N 363 118.182 120.952 -2.770 1 1 1523 . 20 1 1 A 153 153 GLN HA H 366 4.665 4.164 0.501 1 1 1530 . 20 1 1 A 153 153 GLN CA C 366 53.779 56.529 -2.750 1 1 1531 . 20 1 1 A 153 153 GLN CB C 366 28.988 28.999 -0.011 1 1 1534 . 20 1 1 A 155 155 GLY HA2 H 368 3.899 3.914 -0.015 1 1 1535 . 20 1 1 A 155 155 GLY HA3 H 368 3.899 3.933 -0.034 1 1 1536 . 20 1 1 A 155 155 GLY CA C 368 45.013 47.655 -2.642 1 1 1537 . 20 1 1 A 156 156 ILE H H 369 7.871 7.524 0.347 1 1 1538 . 20 1 1 A 156 156 ILE HA H 369 4.428 4.638 -0.210 1 1 1548 . 20 1 1 A 156 156 ILE C C 369 174.196 175.301 -1.105 1 1 1549 . 20 1 1 A 156 156 ILE CA C 369 58.676 57.676 1.000 1 1 1550 . 20 1 1 A 156 156 ILE CB C 369 38.516 40.522 -2.006 1 1 1554 . 20 1 1 A 156 156 ILE N N 369 120.958 113.458 7.500 1 1 1555 . 20 1 1 A 157 157 PRO HA H 370 4.386 4.655 -0.269 1 1 1562 . 20 1 1 A 157 157 PRO C C 370 176.218 176.605 -0.387 1 1 1563 . 20 1 1 A 157 157 PRO CA C 370 63.431 63.638 -0.207 1 1 1564 . 20 1 1 A 157 157 PRO CB C 370 31.913 31.767 0.146 1 1 1567 . 20 1 1 A 158 158 VAL H H 371 8.137 7.547 0.590 1 1 1568 . 20 1 1 A 158 158 VAL HA H 371 4.089 4.019 0.070 1 1 1576 . 20 1 1 A 158 158 VAL C C 371 175.904 175.663 0.241 1 1 1577 . 20 1 1 A 158 158 VAL CA C 371 62.121 62.030 0.091 1 1 1578 . 20 1 1 A 158 158 VAL CB C 371 32.958 32.351 0.607 1 1 1581 . 20 1 1 A 158 158 VAL N N 371 119.640 115.422 4.218 1 1 1582 . 20 1 1 A 159 159 GLU H H 372 8.523 9.020 -0.497 1 1 1583 . 20 1 1 A 159 159 GLU HA H 372 4.345 4.833 -0.488 1 1 1588 . 20 1 1 A 159 159 GLU C C 372 176.068 175.026 1.042 1 1 1589 . 20 1 1 A 159 159 GLU CA C 372 56.474 54.600 1.874 1 1 1590 . 20 1 1 A 159 159 GLU CB C 372 30.078 31.492 -1.414 1 1 1592 . 20 1 1 A 159 159 GLU N N 372 123.765 121.573 2.192 1 1 1593 . 20 1 1 A 160 160 THR H H 373 8.096 8.644 -0.548 1 1 1594 . 20 1 1 A 160 160 THR HA H 373 4.311 4.429 -0.118 1 1 1599 . 20 1 1 A 160 160 THR C C 373 173.701 174.422 -0.721 1 1 1600 . 20 1 1 A 160 160 THR CA C 373 61.845 62.438 -0.593 1 1 1601 . 20 1 1 A 160 160 THR CB C 373 69.760 68.874 0.886 1 1 1603 . 20 1 1 A 160 160 THR N N 373 114.143 112.658 1.485 1 1 1604 . 20 1 1 A 161 161 ASP H H 374 8.387 9.212 -0.825 1 1 1605 . 20 1 1 A 161 161 ASP HA H 374 4.625 4.732 -0.107 1 1 1608 . 20 1 1 A 161 161 ASP C C 374 175.806 177.533 -1.727 1 1 1609 . 20 1 1 A 161 161 ASP CA C 374 54.478 55.418 -0.940 1 1 1610 . 20 1 1 A 161 161 ASP CB C 374 41.096 41.725 -0.629 1 1 1611 . 20 1 1 A 161 161 ASP N N 374 122.070 126.726 -4.656 1 1 1612 . 20 1 1 A 162 162 SER H H 375 8.175 7.612 0.563 1 1 1613 . 20 1 1 A 162 162 SER HA H 375 4.385 4.590 -0.205 1 1 1616 . 20 1 1 A 162 162 SER C C 375 174.169 174.471 -0.302 1 1 1617 . 20 1 1 A 162 162 SER CA C 375 58.631 58.500 0.131 1 1 1618 . 20 1 1 A 162 162 SER CB C 375 63.814 64.201 -0.387 1 1 1619 . 20 1 1 A 162 162 SER N N 375 115.346 112.397 2.949 1 1 1620 . 20 1 1 A 163 163 GLU H H 376 8.424 7.849 0.575 1 1 1621 . 20 1 1 A 163 163 GLU HA H 376 4.263 4.294 -0.031 1 1 1626 . 20 1 1 A 163 163 GLU C C 376 175.959 176.455 -0.496 1 1 1627 . 20 1 1 A 163 163 GLU CA C 376 56.567 56.496 0.071 1 1 1628 . 20 1 1 A 163 163 GLU CB C 376 30.044 30.213 -0.169 1 1 1630 . 20 1 1 A 163 163 GLU N N 376 122.034 122.705 -0.671 1 1 1631 . 20 1 1 A 164 164 GLU H H 377 8.298 8.492 -0.194 1 1 1632 . 20 1 1 A 164 164 GLU HA H 377 4.224 4.443 -0.219 1 1 1637 . 20 1 1 A 164 164 GLU C C 377 175.816 177.783 -1.967 1 1 1638 . 20 1 1 A 164 164 GLU CA C 377 56.489 55.539 0.950 1 1 1639 . 20 1 1 A 164 164 GLU CB C 377 30.220 31.298 -1.078 1 1 1641 . 20 1 1 A 164 164 GLU N N 377 120.980 125.437 -4.457 1 1 1642 . 20 1 1 A 165 165 GLN H H 378 8.340 8.561 -0.221 1 1 1643 . 20 1 1 A 165 165 GLN HA H 378 4.563 4.031 0.532 1 1 1645 . 20 1 1 A 165 165 GLN C C 378 173.510 176.770 -3.260 1 1 1646 . 20 1 1 A 165 165 GLN CA C 378 53.530 60.855 -7.325 1 1 1647 . 20 1 1 A 165 165 GLN CB C 378 28.816 27.888 0.928 1 1 1649 . 20 1 1 A 165 165 GLN N N 378 121.693 122.585 -0.892 1 1 1650 . 20 1 1 A 166 166 PRO HA H 379 4.381 4.726 -0.345 1 1 1657 . 20 1 1 A 166 166 PRO C C 379 176.081 176.196 -0.115 1 1 1658 . 20 1 1 A 166 166 PRO CA C 379 63.260 62.442 0.818 1 1 1659 . 20 1 1 A 166 166 PRO CB C 379 32.010 29.369 2.641 1 1 1662 . 20 1 1 A 167 167 TYR H H 380 8.116 8.632 -0.516 1 1 1663 . 20 1 1 A 167 167 TYR HA H 380 4.513 4.649 -0.136 1 1 1668 . 20 1 1 A 167 167 TYR C C 380 174.992 175.546 -0.554 1 1 1669 . 20 1 1 A 167 167 TYR CA C 380 57.699 57.408 0.291 1 1 1670 . 20 1 1 A 167 167 TYR CB C 380 38.344 39.965 -1.621 1 1 1673 . 20 1 1 A 167 167 TYR N N 380 119.531 119.481 0.050 1 1 1674 . 20 1 1 A 168 168 LEU H H 381 7.953 8.397 -0.444 1 1 1675 . 20 1 1 A 168 168 LEU HA H 381 4.267 4.876 -0.609 1 1 1685 . 20 1 1 A 168 168 LEU C C 381 176.162 175.741 0.421 1 1 1686 . 20 1 1 A 168 168 LEU CA C 381 54.808 52.600 2.208 1 1 1687 . 20 1 1 A 168 168 LEU CB C 381 42.735 44.748 -2.013 1 1 1691 . 20 1 1 A 168 168 LEU N N 381 124.133 117.101 7.032 1 1 1692 . 20 1 1 A 169 169 GLU H H 382 8.190 8.727 -0.537 1 1 1693 . 20 1 1 A 169 169 GLU HA H 382 4.167 4.720 -0.553 1 1 1698 . 20 1 1 A 169 169 GLU C C 382 175.881 175.898 -0.017 1 1 1699 . 20 1 1 A 169 169 GLU CA C 382 56.655 54.058 2.597 1 1 1700 . 20 1 1 A 169 169 GLU CB C 382 30.058 33.176 -3.118 1 1 1702 . 20 1 1 A 169 169 GLU N N 382 121.131 116.432 4.699 1 1 1703 . 20 1 1 A 170 170 MET H H 383 8.214 8.272 -0.058 1 1 1704 . 20 1 1 A 170 170 MET HA H 383 4.377 4.743 -0.366 1 1 1709 . 20 1 1 A 170 170 MET C C 383 175.132 175.395 -0.263 1 1 1710 . 20 1 1 A 170 170 MET CA C 383 55.606 54.481 1.125 1 1 1711 . 20 1 1 A 170 170 MET CB C 383 33.091 32.207 0.884 1 1 1713 . 20 1 1 A 170 170 MET N N 383 120.601 117.644 2.957 1 1 1714 . 20 1 1 A 171 171 ASP H H 384 8.358 7.962 0.396 1 1 1715 . 20 1 1 A 171 171 ASP HA H 384 4.575 4.675 -0.100 1 1 1718 . 20 1 1 A 171 171 ASP C C 384 175.966 175.062 0.904 1 1 1719 . 20 1 1 A 171 171 ASP CA C 384 53.741 52.723 1.018 1 1 1720 . 20 1 1 A 171 171 ASP CB C 384 40.571 42.715 -2.144 1 1 1721 . 20 1 1 A 171 171 ASP N N 384 121.104 120.678 0.426 1 1 1722 . 20 1 1 A 172 172 LEU H H 385 8.285 8.301 -0.016 1 1 1723 . 20 1 1 A 172 172 LEU HA H 385 4.305 4.924 -0.619 1 1 1733 . 20 1 1 A 172 172 LEU C C 385 177.140 177.013 0.127 1 1 1734 . 20 1 1 A 172 172 LEU CA C 385 55.122 53.027 2.095 1 1 1735 . 20 1 1 A 172 172 LEU CB C 385 41.851 44.899 -3.048 1 1 1739 . 20 1 1 A 172 172 LEU N N 385 123.115 120.788 2.327 1 1 1740 . 20 1 1 A 173 173 SER H H 386 8.290 8.575 -0.285 1 1 1741 . 20 1 1 A 173 173 SER N N 386 115.101 115.566 -0.465 1 1 1742 . 20 1 1 A 176 176 GLN HA H 389 4.383 4.434 -0.051 1 1 1749 . 20 1 1 A 176 176 GLN CA C 389 55.991 55.229 0.762 1 1 1750 . 20 1 1 A 176 176 GLN CB C 389 29.280 28.617 0.663 1 1 1753 . 20 1 1 A 177 177 THR H H 390 6.958 7.626 -0.668 1 1 1754 . 20 1 1 A 177 177 THR HA H 390 3.970 4.341 -0.371 1 1 1759 . 20 1 1 A 177 177 THR C C 390 172.764 174.152 -1.388 1 1 1760 . 20 1 1 A 177 177 THR CA C 390 62.221 61.885 0.336 1 1 1761 . 20 1 1 A 177 177 THR CB C 390 69.382 70.001 -0.619 1 1 1763 . 20 1 1 A 177 177 THR N N 390 115.463 116.189 -0.726 1 1 1764 . 20 1 1 A 178 178 ARG H H 391 7.873 8.423 -0.550 1 1 1765 . 20 1 1 A 178 178 ARG C C 391 174.982 175.099 -0.117 1 1 1766 . 20 1 1 A 178 178 ARG CA C 391 55.266 55.819 -0.553 1 1 1767 . 20 1 1 A 178 178 ARG CB C 391 31.052 30.949 0.103 1 1 1769 . 20 1 1 A 178 178 ARG N N 391 122.116 123.152 -1.036 1 1 1770 . 20 1 1 A 179 179 TYR H H 392 8.812 8.818 -0.006 1 1 1771 . 20 1 1 A 179 179 TYR HA H 392 4.621 5.340 -0.719 1 1 1776 . 20 1 1 A 179 179 TYR C C 392 174.337 173.731 0.606 1 1 1777 . 20 1 1 A 179 179 TYR CA C 392 57.444 57.067 0.377 1 1 1778 . 20 1 1 A 179 179 TYR CB C 392 40.623 42.341 -1.718 1 1 1781 . 20 1 1 A 179 179 TYR N N 392 118.296 121.066 -2.770 1 1 1782 . 20 1 1 A 180 180 ILE H H 393 7.254 8.710 -1.456 1 1 1783 . 20 1 1 A 180 180 ILE HA H 393 4.610 4.372 0.238 1 1 1793 . 20 1 1 A 180 180 ILE C C 393 171.654 175.154 -3.500 1 1 1794 . 20 1 1 A 180 180 ILE CA C 393 56.916 57.123 -0.207 1 1 1795 . 20 1 1 A 180 180 ILE CB C 393 39.736 41.890 -2.154 1 1 1799 . 20 1 1 A 180 180 ILE N N 393 108.609 127.895 -19.286 1 1 1800 . 20 1 1 A 181 181 PRO HA H 394 4.709 4.404 0.305 1 1 1807 . 20 1 1 A 181 181 PRO C C 394 173.910 177.195 -3.285 1 1 1808 . 20 1 1 A 181 181 PRO CA C 394 62.144 64.287 -2.143 1 1 1809 . 20 1 1 A 181 181 PRO CB C 394 32.527 31.950 0.577 1 1 1812 . 20 1 1 A 182 182 ASP H H 395 8.296 8.127 0.169 1 1 1813 . 20 1 1 A 182 182 ASP HA H 395 4.665 4.281 0.384 1 1 1816 . 20 1 1 A 182 182 ASP C C 395 175.120 174.795 0.325 1 1 1817 . 20 1 1 A 182 182 ASP CA C 395 52.455 55.258 -2.803 1 1 1818 . 20 1 1 A 182 182 ASP CB C 395 38.742 39.514 -0.772 1 1 1819 . 20 1 1 A 182 182 ASP N N 395 120.042 118.686 1.356 1 1 1820 . 20 1 1 A 183 183 GLU H H 396 7.651 8.102 -0.451 1 1 1821 . 20 1 1 A 183 183 GLU HA H 396 4.492 4.764 -0.272 1 1 1826 . 20 1 1 A 183 183 GLU C C 396 173.702 176.245 -2.543 1 1 1827 . 20 1 1 A 183 183 GLU CA C 396 54.897 54.884 0.013 1 1 1828 . 20 1 1 A 183 183 GLU CB C 396 32.509 31.272 1.237 1 1 1830 . 20 1 1 A 183 183 GLU N N 396 117.840 118.908 -1.068 1 1 1831 . 20 1 1 A 184 184 ALA H H 397 8.365 8.423 -0.058 1 1 1832 . 20 1 1 A 184 184 ALA HA H 397 4.394 4.613 -0.219 1 1 1836 . 20 1 1 A 184 184 ALA C C 397 175.829 177.198 -1.369 1 1 1837 . 20 1 1 A 184 184 ALA CA C 397 52.770 51.679 1.091 1 1 1838 . 20 1 1 A 184 184 ALA CB C 397 20.682 19.865 0.817 1 1 1839 . 20 1 1 A 184 184 ALA N N 397 121.613 123.220 -1.607 1 1 1840 . 20 1 1 A 185 185 ASP H H 398 7.245 8.273 -1.028 1 1 1841 . 20 1 1 A 185 185 ASP HA H 398 4.092 4.937 -0.845 1 1 1844 . 20 1 1 A 185 185 ASP C C 398 172.730 175.054 -2.324 1 1 1845 . 20 1 1 A 185 185 ASP CA C 398 56.144 53.409 2.735 1 1 1846 . 20 1 1 A 185 185 ASP CB C 398 39.841 41.724 -1.883 1 1 1847 . 20 1 1 A 185 185 ASP N N 398 105.829 119.333 -13.504 1 1 1848 . 20 1 1 A 186 186 PHE H H 399 8.467 7.663 0.804 1 1 1849 . 20 1 1 A 186 186 PHE HA H 399 5.486 4.909 0.577 1 1 1852 . 20 1 1 A 186 186 PHE C C 399 176.218 173.102 3.116 1 1 1853 . 20 1 1 A 186 186 PHE CA C 399 57.959 57.169 0.790 1 1 1854 . 20 1 1 A 186 186 PHE CB C 399 44.529 42.779 1.750 1 1 1855 . 20 1 1 A 186 186 PHE N N 399 116.177 120.280 -4.103 1 1 1856 . 20 1 1 A 187 187 LEU H H 400 8.964 8.609 0.355 1 1 1857 . 20 1 1 A 187 187 LEU HA H 400 4.963 4.899 0.064 1 1 1867 . 20 1 1 A 187 187 LEU C C 400 171.747 174.429 -2.682 1 1 1868 . 20 1 1 A 187 187 LEU CA C 400 55.422 53.744 1.678 1 1 1869 . 20 1 1 A 187 187 LEU CB C 400 45.641 44.671 0.970 1 1 1873 . 20 1 1 A 187 187 LEU N N 400 121.383 128.695 -7.312 1 1 1874 . 20 1 1 A 188 188 LEU H H 401 9.312 8.727 0.585 1 1 1875 . 20 1 1 A 188 188 LEU HA H 401 5.580 5.045 0.535 1 1 1885 . 20 1 1 A 188 188 LEU C C 401 173.853 176.819 -2.966 1 1 1886 . 20 1 1 A 188 188 LEU CA C 401 53.421 53.116 0.305 1 1 1887 . 20 1 1 A 188 188 LEU CB C 401 45.403 45.375 0.028 1 1 1891 . 20 1 1 A 188 188 LEU N N 401 128.151 128.101 0.050 1 1 1892 . 20 1 1 A 189 189 GLY H H 402 9.415 8.357 1.058 1 1 1893 . 20 1 1 A 189 189 GLY HA2 H 402 4.670 4.071 0.599 1 1 1894 . 20 1 1 A 189 189 GLY HA3 H 402 3.663 4.082 -0.419 1 1 1895 . 20 1 1 A 189 189 GLY C C 402 171.014 173.788 -2.774 1 1 1896 . 20 1 1 A 189 189 GLY CA C 402 44.967 45.230 -0.263 1 1 1897 . 20 1 1 A 189 189 GLY N N 402 115.881 113.541 2.340 1 1 1898 . 20 1 1 A 190 190 MET H H 403 8.118 7.584 0.534 1 1 1899 . 20 1 1 A 190 190 MET HA H 403 5.314 4.444 0.870 1 1 1907 . 20 1 1 A 190 190 MET C C 403 173.744 176.735 -2.991 1 1 1908 . 20 1 1 A 190 190 MET CA C 403 53.284 55.961 -2.677 1 1 1909 . 20 1 1 A 190 190 MET CB C 403 36.614 33.764 2.850 1 1 1912 . 20 1 1 A 190 190 MET N N 403 122.165 120.587 1.578 1 1 1934 . 20 1 1 A 203 203 ALA H H 416 8.076 8.416 -0.340 1 1 1935 . 20 1 1 A 203 203 ALA HA H 416 4.228 4.431 -0.203 1 1 1939 . 20 1 1 A 203 203 ALA C C 416 176.895 177.940 -1.045 1 1 1940 . 20 1 1 A 203 203 ALA CA C 416 52.743 51.885 0.858 1 1 1941 . 20 1 1 A 203 203 ALA CB C 416 18.723 19.398 -0.675 1 1 1942 . 20 1 1 A 203 203 ALA N N 416 119.053 126.486 -7.433 1 1 1943 . 20 1 1 A 204 204 GLU H H 417 7.784 8.004 -0.220 1 1 1944 . 20 1 1 A 204 204 GLU HA H 417 4.350 4.479 -0.129 1 1 1949 . 20 1 1 A 204 204 GLU C C 417 175.678 175.997 -0.319 1 1 1950 . 20 1 1 A 204 204 GLU CA C 417 55.650 56.270 -0.620 1 1 1951 . 20 1 1 A 204 204 GLU CB C 417 30.312 29.730 0.582 1 1 1953 . 20 1 1 A 204 204 GLU N N 417 116.458 118.085 -1.627 1 1 1954 . 20 1 1 A 205 205 GLY H H 418 7.910 7.825 0.085 1 1 1955 . 20 1 1 A 205 205 GLY CA C 418 43.804 45.979 -2.175 1 1 1956 . 20 1 1 A 205 205 GLY N N 418 108.024 108.474 -0.450 1 1 1957 . 20 1 1 A 206 206 THR H H 419 8.364 8.759 -0.395 1 1 1958 . 20 1 1 A 206 206 THR HA H 419 4.316 4.584 -0.268 1 1 1963 . 20 1 1 A 206 206 THR CA C 419 64.682 60.793 3.889 1 1 1964 . 20 1 1 A 206 206 THR CB C 419 69.304 71.635 -2.331 1 1 1966 . 20 1 1 A 206 206 THR N N 419 115.417 120.686 -5.269 1 1 1967 . 20 1 1 A 207 207 TRP HA H 420 4.116 5.187 -1.071 1 1 1976 . 20 1 1 A 207 207 TRP CA C 420 61.178 55.468 5.710 1 1 1977 . 20 1 1 A 207 207 TRP CB C 420 28.670 33.422 -4.752 1 1 1984 . 20 1 1 A 209 209 ILE H H 422 6.744 9.201 -2.457 1 1 1985 . 20 1 1 A 209 209 ILE HA H 422 3.349 3.773 -0.424 1 1 1993 . 20 1 1 A 209 209 ILE C C 422 178.143 177.639 0.504 1 1 1994 . 20 1 1 A 209 209 ILE CA C 422 60.865 64.669 -3.804 1 1 1995 . 20 1 1 A 209 209 ILE CB C 422 34.371 37.268 -2.897 1 1 1999 . 20 1 1 A 209 209 ILE N N 422 113.211 123.880 -10.669 1 1 2000 . 20 1 1 A 210 210 GLN H H 423 8.252 8.158 0.094 1 1 2001 . 20 1 1 A 210 210 GLN HA H 423 3.548 4.003 -0.455 1 1 2006 . 20 1 1 A 210 210 GLN C C 423 179.079 176.982 2.097 1 1 2007 . 20 1 1 A 210 210 GLN CA C 423 58.795 59.147 -0.352 1 1 2008 . 20 1 1 A 210 210 GLN CB C 423 26.704 28.331 -1.627 1 1 2010 . 20 1 1 A 210 210 GLN N N 423 116.455 120.202 -3.747 1 1 2011 . 20 1 1 A 211 211 SER H H 424 8.162 7.818 0.344 1 1 2012 . 20 1 1 A 211 211 SER HA H 424 3.961 4.562 -0.601 1 1 2015 . 20 1 1 A 211 211 SER C C 424 179.150 175.567 3.583 1 1 2016 . 20 1 1 A 211 211 SER CA C 424 61.850 58.237 3.613 1 1 2017 . 20 1 1 A 211 211 SER CB C 424 62.214 63.461 -1.247 1 1 2018 . 20 1 1 A 211 211 SER N N 424 115.041 113.924 1.117 1 1 2019 . 20 1 1 A 212 212 LEU H H 425 8.061 8.317 -0.256 1 1 2020 . 20 1 1 A 212 212 LEU HA H 425 3.540 4.485 -0.945 1 1 2030 . 20 1 1 A 212 212 LEU C C 425 177.566 177.997 -0.431 1 1 2031 . 20 1 1 A 212 212 LEU CA C 425 58.548 56.485 2.063 1 1 2032 . 20 1 1 A 212 212 LEU CB C 425 41.665 43.928 -2.263 1 1 2036 . 20 1 1 A 212 212 LEU N N 425 124.082 121.449 2.633 1 1 2037 . 20 1 1 A 213 213 CYS H H 426 7.940 8.347 -0.407 1 1 2038 . 20 1 1 A 213 213 CYS HA H 426 3.628 3.981 -0.353 1 1 2041 . 20 1 1 A 213 213 CYS C C 426 175.741 175.800 -0.059 1 1 2042 . 20 1 1 A 213 213 CYS CA C 426 65.159 61.822 3.337 1 1 2043 . 20 1 1 A 213 213 CYS CB C 426 49.251 27.115 22.136 1 1 2044 . 20 1 1 A 213 213 CYS N N 426 114.351 118.400 -4.049 1 1 2045 . 20 1 1 A 214 214 GLN H H 427 7.510 8.032 -0.522 1 1 2046 . 20 1 1 A 214 214 GLN HA H 427 3.772 4.197 -0.425 1 1 2051 . 20 1 1 A 214 214 GLN C C 427 177.769 177.667 0.102 1 1 2052 . 20 1 1 A 214 214 GLN CA C 427 59.019 57.311 1.708 1 1 2053 . 20 1 1 A 214 214 GLN CB C 427 27.718 29.340 -1.622 1 1 2055 . 20 1 1 A 214 214 GLN N N 427 117.399 117.972 -0.573 1 1 2056 . 20 1 1 A 215 215 SER H H 428 7.906 7.955 -0.049 1 1 2057 . 20 1 1 A 215 215 SER HA H 428 4.173 4.287 -0.114 1 1 2060 . 20 1 1 A 215 215 SER CA C 428 62.653 61.618 1.035 1 1 2061 . 20 1 1 A 215 215 SER CB C 428 62.889 63.144 -0.255 1 1 2062 . 20 1 1 A 215 215 SER N N 428 113.799 117.373 -3.574 1 1 2063 . 20 1 1 A 216 216 LEU H H 429 8.505 7.921 0.584 1 1 2064 . 20 1 1 A 216 216 LEU HA H 429 4.156 3.850 0.306 1 1 2071 . 20 1 1 A 216 216 LEU C C 429 178.848 178.207 0.641 1 1 2072 . 20 1 1 A 216 216 LEU CA C 429 58.053 57.714 0.339 1 1 2073 . 20 1 1 A 216 216 LEU CB C 429 41.222 41.150 0.072 1 1 2076 . 20 1 1 A 216 216 LEU N N 429 121.357 118.606 2.751 1 1 2077 . 20 1 1 A 217 217 ARG H H 430 7.972 8.525 -0.553 1 1 2078 . 20 1 1 A 217 217 ARG HA H 430 3.850 3.794 0.056 1 1 2085 . 20 1 1 A 217 217 ARG C C 430 178.237 177.759 0.478 1 1 2086 . 20 1 1 A 217 217 ARG CA C 430 59.472 58.858 0.614 1 1 2087 . 20 1 1 A 217 217 ARG CB C 430 30.256 29.873 0.383 1 1 2090 . 20 1 1 A 217 217 ARG N N 430 116.018 120.815 -4.797 1 1 2091 . 20 1 1 A 218 218 GLU H H 431 7.583 8.161 -0.578 1 1 2092 . 20 1 1 A 218 218 GLU HA H 431 4.119 4.058 0.061 1 1 2096 . 20 1 1 A 218 218 GLU C C 431 178.377 178.377 0.000 1 1 2097 . 20 1 1 A 218 218 GLU CA C 431 58.207 58.735 -0.528 1 1 2098 . 20 1 1 A 218 218 GLU CB C 431 30.548 28.779 1.769 1 1 2100 . 20 1 1 A 218 218 GLU N N 431 113.645 118.051 -4.406 1 1 2101 . 20 1 1 A 219 219 ARG H H 432 8.621 7.600 1.021 1 1 2102 . 20 1 1 A 219 219 ARG HA H 432 4.180 4.126 0.054 1 1 2103 . 20 1 1 A 219 219 ARG C C 432 178.455 178.739 -0.284 1 1 2104 . 20 1 1 A 219 219 ARG CA C 432 58.428 56.819 1.609 1 1 2105 . 20 1 1 A 219 219 ARG CB C 432 30.936 29.793 1.143 1 1 2107 . 20 1 1 A 219 219 ARG N N 432 114.272 119.786 -5.514 1 1 2108 . 20 1 1 A 220 220 CYS H H 433 8.828 7.629 1.199 1 1 2109 . 20 1 1 A 220 220 CYS HA H 433 4.464 4.160 0.304 1 1 2112 . 20 1 1 A 220 220 CYS C C 433 176.708 175.677 1.031 1 1 2113 . 20 1 1 A 220 220 CYS CA C 433 66.312 63.500 2.812 1 1 2114 . 20 1 1 A 220 220 CYS CB C 433 47.095 26.145 20.950 1 1 2115 . 20 1 1 A 220 220 CYS N N 433 120.012 118.234 1.778 1 1 2116 . 20 1 1 A 221 221 PRO HA H 434 4.463 4.587 -0.124 1 1 2123 . 20 1 1 A 221 221 PRO C C 434 177.064 175.643 1.421 1 1 2124 . 20 1 1 A 221 221 PRO CA C 434 65.717 62.404 3.313 1 1 2125 . 20 1 1 A 221 221 PRO CB C 434 31.169 29.289 1.880 1 1 2128 . 20 1 1 A 222 222 ARG H H 435 6.904 8.934 -2.030 1 1 2129 . 20 1 1 A 222 222 ARG HA H 435 4.331 4.578 -0.247 1 1 2136 . 20 1 1 A 222 222 ARG C C 435 176.536 176.713 -0.177 1 1 2137 . 20 1 1 A 222 222 ARG CA C 435 55.901 56.299 -0.398 1 1 2138 . 20 1 1 A 222 222 ARG CB C 435 30.116 33.185 -3.069 1 1 2141 . 20 1 1 A 222 222 ARG N N 435 112.486 120.925 -8.439 1 1 2142 . 20 1 1 A 223 223 GLY H H 436 8.160 7.935 0.225 1 1 2143 . 20 1 1 A 223 223 GLY HA2 H 436 4.237 3.958 0.279 1 1 2144 . 20 1 1 A 223 223 GLY HA3 H 436 3.643 3.982 -0.339 1 1 2145 . 20 1 1 A 223 223 GLY C C 436 173.338 174.069 -0.731 1 1 2146 . 20 1 1 A 223 223 GLY CA C 436 43.988 45.044 -1.056 1 1 2147 . 20 1 1 A 223 223 GLY N N 436 105.931 107.330 -1.399 1 1 2148 . 20 1 1 A 224 224 ASP H H 437 6.891 8.063 -1.172 1 1 2149 . 20 1 1 A 224 224 ASP HA H 437 4.500 4.668 -0.168 1 1 2151 . 20 1 1 A 224 224 ASP C C 437 173.806 175.511 -1.705 1 1 2152 . 20 1 1 A 224 224 ASP CA C 437 54.576 54.005 0.571 1 1 2153 . 20 1 1 A 224 224 ASP CB C 437 40.588 42.189 -1.601 1 1 2154 . 20 1 1 A 224 224 ASP N N 437 119.342 122.030 -2.688 1 1 2155 . 20 1 1 A 225 225 ASP H H 438 8.054 8.646 -0.592 1 1 2156 . 20 1 1 A 225 225 ASP HA H 438 4.912 4.874 0.038 1 1 2159 . 20 1 1 A 225 225 ASP C C 438 175.631 176.408 -0.777 1 1 2160 . 20 1 1 A 225 225 ASP CA C 438 52.579 53.999 -1.420 1 1 2161 . 20 1 1 A 225 225 ASP CB C 438 42.616 41.398 1.218 1 1 2162 . 20 1 1 A 225 225 ASP N N 438 117.877 122.509 -4.632 1 1 2163 . 20 1 1 A 226 226 ILE H H 439 9.101 8.626 0.475 1 1 2164 . 20 1 1 A 226 226 ILE HA H 439 3.621 3.900 -0.279 1 1 2174 . 20 1 1 A 226 226 ILE C C 439 176.146 177.782 -1.636 1 1 2175 . 20 1 1 A 226 226 ILE CA C 439 62.602 63.804 -1.202 1 1 2176 . 20 1 1 A 226 226 ILE CB C 439 36.530 38.096 -1.566 1 1 2180 . 20 1 1 A 226 226 ILE N N 439 118.352 122.985 -4.633 1 1 2181 . 20 1 1 A 227 227 LEU H H 440 7.814 7.919 -0.105 1 1 2182 . 20 1 1 A 227 227 LEU HA H 440 3.918 3.939 -0.021 1 1 2192 . 20 1 1 A 227 227 LEU C C 440 179.397 178.741 0.656 1 1 2193 . 20 1 1 A 227 227 LEU CA C 440 58.566 57.855 0.711 1 1 2194 . 20 1 1 A 227 227 LEU CB C 440 40.819 41.656 -0.837 1 1 2198 . 20 1 1 A 227 227 LEU N N 440 119.906 121.141 -1.235 1 1 2199 . 20 1 1 A 228 228 THR H H 441 7.665 7.588 0.077 1 1 2200 . 20 1 1 A 228 228 THR HA H 441 4.289 3.848 0.441 1 1 2205 . 20 1 1 A 228 228 THR C C 441 179.489 176.523 2.966 1 1 2206 . 20 1 1 A 228 228 THR CA C 441 61.837 65.026 -3.189 1 1 2207 . 20 1 1 A 228 228 THR CB C 441 69.979 68.738 1.241 1 1 2209 . 20 1 1 A 228 228 THR N N 441 120.011 114.138 5.873 1 1 2210 . 20 1 1 A 229 229 ILE H H 442 7.807 7.865 -0.058 1 1 2211 . 20 1 1 A 229 229 ILE HA H 442 3.300 3.462 -0.162 1 1 2221 . 20 1 1 A 229 229 ILE C C 442 177.728 177.490 0.238 1 1 2222 . 20 1 1 A 229 229 ILE CA C 442 66.069 64.816 1.253 1 1 2223 . 20 1 1 A 229 229 ILE CB C 442 38.260 37.451 0.809 1 1 2227 . 20 1 1 A 229 229 ILE N N 442 119.411 121.174 -1.763 1 1 2228 . 20 1 1 A 230 230 LEU H H 443 8.530 8.058 0.472 1 1 2229 . 20 1 1 A 230 230 LEU HA H 443 3.958 4.026 -0.068 1 1 2239 . 20 1 1 A 230 230 LEU C C 443 178.689 178.165 0.524 1 1 2240 . 20 1 1 A 230 230 LEU CA C 443 57.697 57.269 0.428 1 1 2241 . 20 1 1 A 230 230 LEU CB C 443 42.191 41.686 0.505 1 1 2245 . 20 1 1 A 230 230 LEU N N 443 116.186 118.799 -2.613 1 1 2246 . 20 1 1 A 231 231 THR H H 444 8.008 7.591 0.417 1 1 2247 . 20 1 1 A 231 231 THR HA H 444 4.153 4.187 -0.034 1 1 2252 . 20 1 1 A 231 231 THR C C 444 175.208 176.329 -1.121 1 1 2253 . 20 1 1 A 231 231 THR CA C 444 65.327 63.633 1.694 1 1 2254 . 20 1 1 A 231 231 THR CB C 444 69.718 68.901 0.817 1 1 2256 . 20 1 1 A 231 231 THR N N 444 112.075 110.216 1.859 1 1 2257 . 20 1 1 A 232 232 GLU H H 445 7.717 7.893 -0.176 1 1 2258 . 20 1 1 A 232 232 GLU HA H 445 4.186 3.942 0.244 1 1 2259 . 20 1 1 A 232 232 GLU C C 445 177.156 178.718 -1.562 1 1 2260 . 20 1 1 A 232 232 GLU CA C 445 57.891 59.282 -1.391 1 1 2261 . 20 1 1 A 232 232 GLU CB C 445 28.836 29.235 -0.399 1 1 2263 . 20 1 1 A 232 232 GLU N N 445 120.074 121.367 -1.293 1 1 2294 . 20 1 1 A 252 252 GLN H H 465 8.586 8.989 -0.403 1 1 2295 . 20 1 1 A 252 252 GLN HA H 465 4.689 4.094 0.595 1 1 2296 . 20 1 1 A 252 252 GLN C C 465 174.446 175.807 -1.361 1 1 2297 . 20 1 1 A 252 252 GLN CA C 465 53.682 60.320 -6.638 1 1 2298 . 20 1 1 A 252 252 GLN CB C 465 28.537 27.377 1.160 1 1 2300 . 20 1 1 A 252 252 GLN N N 465 121.782 123.568 -1.786 1 1 2301 . 20 1 1 A 253 253 PRO HA H 466 4.902 4.765 0.137 1 1 2302 . 20 1 1 A 253 253 PRO C C 466 174.937 175.739 -0.802 1 1 2303 . 20 1 1 A 253 253 PRO CA C 466 63.075 62.617 0.458 1 1 2304 . 20 1 1 A 253 253 PRO CB C 466 32.384 33.129 -0.745 1 1 2307 . 20 1 1 A 254 254 THR H H 467 8.556 8.148 0.408 1 1 2308 . 20 1 1 A 254 254 THR HA H 467 4.659 4.757 -0.098 1 1 2313 . 20 1 1 A 254 254 THR C C 467 172.995 173.619 -0.624 1 1 2314 . 20 1 1 A 254 254 THR CA C 467 61.740 61.628 0.112 1 1 2315 . 20 1 1 A 254 254 THR CB C 467 70.195 70.680 -0.485 1 1 2317 . 20 1 1 A 254 254 THR N N 467 115.754 117.259 -1.505 1 1 2318 . 20 1 1 A 255 255 PHE H H 468 8.560 8.619 -0.059 1 1 2319 . 20 1 1 A 255 255 PHE HA H 468 5.502 5.702 -0.200 1 1 2322 . 20 1 1 A 255 255 PHE C C 468 173.198 174.627 -1.429 1 1 2323 . 20 1 1 A 255 255 PHE CA C 468 56.283 55.470 0.813 1 1 2324 . 20 1 1 A 255 255 PHE CB C 468 43.426 41.684 1.742 1 1 2325 . 20 1 1 A 255 255 PHE N N 468 120.481 123.326 -2.845 1 1 2326 . 20 1 1 A 256 256 THR H H 469 9.702 8.919 0.783 1 1 2327 . 20 1 1 A 256 256 THR HA H 469 4.662 5.095 -0.433 1 1 2332 . 20 1 1 A 256 256 THR C C 469 176.561 173.162 3.399 1 1 2333 . 20 1 1 A 256 256 THR CA C 469 59.948 60.760 -0.812 1 1 2334 . 20 1 1 A 256 256 THR CB C 469 69.145 70.460 -1.315 1 1 2336 . 20 1 1 A 256 256 THR N N 469 108.601 114.339 -5.738 1 1 2337 . 20 1 1 A 257 257 LEU H H 470 7.235 8.923 -1.688 1 1 2338 . 20 1 1 A 257 257 LEU HA H 470 4.401 4.996 -0.595 1 1 2348 . 20 1 1 A 257 257 LEU C C 470 175.975 177.005 -1.030 1 1 2349 . 20 1 1 A 257 257 LEU CA C 470 55.492 53.680 1.812 1 1 2350 . 20 1 1 A 257 257 LEU CB C 470 41.850 45.258 -3.408 1 1 2354 . 20 1 1 A 257 257 LEU N N 470 120.802 126.708 -5.906 1 1 2355 . 20 1 1 A 258 258 ARG H H 471 8.228 8.464 -0.236 1 1 2356 . 20 1 1 A 258 258 ARG HA H 471 4.631 4.069 0.562 1 1 2363 . 20 1 1 A 258 258 ARG C C 471 174.114 176.886 -2.772 1 1 2364 . 20 1 1 A 258 258 ARG CA C 471 55.071 59.375 -4.304 1 1 2365 . 20 1 1 A 258 258 ARG CB C 471 32.470 30.534 1.936 1 1 2368 . 20 1 1 A 258 258 ARG N N 471 118.883 123.237 -4.354 1 1 2369 . 20 1 1 A 259 259 LYS H H 472 7.217 7.834 -0.617 1 1 2370 . 20 1 1 A 259 259 LYS HA H 472 4.260 4.624 -0.364 1 1 2379 . 20 1 1 A 259 259 LYS C C 472 174.571 175.254 -0.683 1 1 2380 . 20 1 1 A 259 259 LYS CA C 472 53.269 54.870 -1.601 1 1 2381 . 20 1 1 A 259 259 LYS CB C 472 36.332 33.796 2.536 1 1 2385 . 20 1 1 A 259 259 LYS N N 472 116.031 117.151 -1.120 1 1 2386 . 20 1 1 A 260 260 LYS H H 473 8.357 8.559 -0.202 1 1 2387 . 20 1 1 A 260 260 LYS HA H 473 4.297 4.953 -0.656 1 1 2396 . 20 1 1 A 260 260 LYS C C 473 174.137 174.968 -0.831 1 1 2397 . 20 1 1 A 260 260 LYS CA C 473 57.258 54.746 2.512 1 1 2398 . 20 1 1 A 260 260 LYS CB C 473 33.561 34.840 -1.279 1 1 2402 . 20 1 1 A 260 260 LYS N N 473 119.377 122.272 -2.895 1 1 2403 . 20 1 1 A 261 261 LEU H H 474 9.288 9.056 0.232 1 1 2404 . 20 1 1 A 261 261 LEU HA H 474 5.048 5.053 -0.005 1 1 2414 . 20 1 1 A 261 261 LEU C C 474 172.558 175.242 -2.684 1 1 2415 . 20 1 1 A 261 261 LEU CA C 474 53.327 53.742 -0.415 1 1 2416 . 20 1 1 A 261 261 LEU CB C 474 44.313 43.611 0.702 1 1 2420 . 20 1 1 A 261 261 LEU N N 474 126.482 129.048 -2.566 1 1 2421 . 20 1 1 A 262 262 VAL H H 475 8.876 9.078 -0.202 1 1 2422 . 20 1 1 A 262 262 VAL HA H 475 4.238 4.929 -0.691 1 1 2430 . 20 1 1 A 262 262 VAL C C 475 174.243 174.754 -0.511 1 1 2431 . 20 1 1 A 262 262 VAL CA C 475 59.734 61.053 -1.319 1 1 2432 . 20 1 1 A 262 262 VAL CB C 475 34.790 35.352 -0.562 1 1 2435 . 20 1 1 A 262 262 VAL N N 475 124.316 126.597 -2.281 1 1 2436 . 20 1 1 A 263 263 PHE H H 476 8.826 8.851 -0.025 1 1 2437 . 20 1 1 A 263 263 PHE HA H 476 5.518 5.059 0.459 1 1 2443 . 20 1 1 A 263 263 PHE C C 476 171.887 174.249 -2.362 1 1 2444 . 20 1 1 A 263 263 PHE CA C 476 52.082 54.921 -2.839 1 1 2445 . 20 1 1 A 263 263 PHE CB C 476 39.792 39.651 0.141 1 1 2449 . 20 1 1 A 263 263 PHE N N 476 122.867 125.814 -2.947 1 1 2450 . 20 1 1 A 264 264 PRO HA H 477 4.649 4.679 -0.030 1 1 2457 . 20 1 1 A 264 264 PRO C C 477 178.322 176.192 2.130 1 1 2458 . 20 1 1 A 264 264 PRO CA C 477 62.333 62.377 -0.044 1 1 2459 . 20 1 1 A 264 264 PRO CB C 477 32.553 33.373 -0.820 1 1 2462 . 20 1 1 A 265 265 SER H H 478 8.763 8.325 0.438 1 1 2463 . 20 1 1 A 265 265 SER HA H 478 4.494 4.336 0.158 1 1 2466 . 20 1 1 A 265 265 SER C C 478 173.725 174.563 -0.838 1 1 2467 . 20 1 1 A 265 265 SER CA C 478 59.060 59.404 -0.344 1 1 2468 . 20 1 1 A 265 265 SER CB C 478 64.038 63.580 0.458 1 1 2469 . 20 1 1 A 265 265 SER N N 478 116.725 112.651 4.074 1 stop_ loop_ _SPARTA_output.Data_ID _SPARTA_output.Assigned_chem_shift_list_ID _SPARTA_output.Conformer_ID _SPARTA_output.Entity_ID _SPARTA_output.Data_type _SPARTA_output.Data_atom _SPARTA_output.Data_num_shifts _SPARTA_output.Data_value _SPARTA_output.Entity_delta_chem_shifts_ID 1 1 1 1 "RMS(OBS, PRED)" C 202 1.705 1 2 1 1 1 "RMS(OBS, PRED)" CA 212 1.743 1 3 1 1 1 "RMS(OBS, PRED)" CB 197 4.800 1 4 1 1 1 "RMS(OBS, PRED)" H 197 0.657 1 5 1 1 1 "RMS(OBS, PRED)" HA 210 0.404 1 6 1 1 1 "RMS(OBS, PRED)" N 197 4.182 1 7 1 2 1 "RMS(OBS, PRED)" C 202 1.627 1 8 1 2 1 "RMS(OBS, PRED)" CA 212 1.954 1 9 1 2 1 "RMS(OBS, PRED)" CB 197 4.960 1 10 1 2 1 "RMS(OBS, PRED)" H 197 0.664 1 11 1 2 1 "RMS(OBS, PRED)" HA 210 0.414 1 12 1 2 1 "RMS(OBS, PRED)" N 197 4.556 1 13 1 3 1 "RMS(OBS, PRED)" C 202 1.668 1 14 1 3 1 "RMS(OBS, PRED)" CA 212 1.955 1 15 1 3 1 "RMS(OBS, PRED)" CB 197 4.930 1 16 1 3 1 "RMS(OBS, PRED)" H 197 0.691 1 17 1 3 1 "RMS(OBS, PRED)" HA 210 0.435 1 18 1 3 1 "RMS(OBS, PRED)" N 197 4.278 1 19 1 4 1 "RMS(OBS, PRED)" C 202 1.699 1 20 1 4 1 "RMS(OBS, PRED)" CA 212 1.747 1 21 1 4 1 "RMS(OBS, PRED)" CB 197 4.864 1 22 1 4 1 "RMS(OBS, PRED)" H 197 0.699 1 23 1 4 1 "RMS(OBS, PRED)" HA 210 0.428 1 24 1 4 1 "RMS(OBS, PRED)" N 197 4.366 1 25 1 5 1 "RMS(OBS, PRED)" C 202 1.699 1 26 1 5 1 "RMS(OBS, PRED)" CA 212 1.865 1 27 1 5 1 "RMS(OBS, PRED)" CB 197 4.847 1 28 1 5 1 "RMS(OBS, PRED)" H 197 0.705 1 29 1 5 1 "RMS(OBS, PRED)" HA 210 0.453 1 30 1 5 1 "RMS(OBS, PRED)" N 197 4.262 1 31 1 6 1 "RMS(OBS, PRED)" C 202 1.689 1 32 1 6 1 "RMS(OBS, PRED)" CA 212 1.873 1 33 1 6 1 "RMS(OBS, PRED)" CB 197 5.195 1 34 1 6 1 "RMS(OBS, PRED)" H 197 0.707 1 35 1 6 1 "RMS(OBS, PRED)" HA 210 0.445 1 36 1 6 1 "RMS(OBS, PRED)" N 197 4.318 1 37 1 7 1 "RMS(OBS, PRED)" C 202 1.596 1 38 1 7 1 "RMS(OBS, PRED)" CA 212 1.785 1 39 1 7 1 "RMS(OBS, PRED)" CB 197 4.822 1 40 1 7 1 "RMS(OBS, PRED)" H 197 0.718 1 41 1 7 1 "RMS(OBS, PRED)" HA 210 0.426 1 42 1 7 1 "RMS(OBS, PRED)" N 197 4.170 1 43 1 8 1 "RMS(OBS, PRED)" C 202 1.644 1 44 1 8 1 "RMS(OBS, PRED)" CA 212 1.673 1 45 1 8 1 "RMS(OBS, PRED)" CB 197 4.746 1 46 1 8 1 "RMS(OBS, PRED)" H 197 0.692 1 47 1 8 1 "RMS(OBS, PRED)" HA 210 0.395 1 48 1 8 1 "RMS(OBS, PRED)" N 197 4.343 1 49 1 9 1 "RMS(OBS, PRED)" C 202 1.593 1 50 1 9 1 "RMS(OBS, PRED)" CA 212 1.763 1 51 1 9 1 "RMS(OBS, PRED)" CB 197 4.802 1 52 1 9 1 "RMS(OBS, PRED)" H 197 0.710 1 53 1 9 1 "RMS(OBS, PRED)" HA 210 0.427 1 54 1 9 1 "RMS(OBS, PRED)" N 197 4.173 1 55 1 10 1 "RMS(OBS, PRED)" C 202 1.593 1 56 1 10 1 "RMS(OBS, PRED)" CA 212 1.908 1 57 1 10 1 "RMS(OBS, PRED)" CB 197 4.894 1 58 1 10 1 "RMS(OBS, PRED)" H 197 0.653 1 59 1 10 1 "RMS(OBS, PRED)" HA 210 0.450 1 60 1 10 1 "RMS(OBS, PRED)" N 197 4.321 1 61 1 11 1 "RMS(OBS, PRED)" C 202 1.651 1 62 1 11 1 "RMS(OBS, PRED)" CA 212 1.901 1 63 1 11 1 "RMS(OBS, PRED)" CB 197 5.118 1 64 1 11 1 "RMS(OBS, PRED)" H 197 0.689 1 65 1 11 1 "RMS(OBS, PRED)" HA 210 0.469 1 66 1 11 1 "RMS(OBS, PRED)" N 197 4.481 1 67 1 12 1 "RMS(OBS, PRED)" C 202 1.596 1 68 1 12 1 "RMS(OBS, PRED)" CA 212 1.773 1 69 1 12 1 "RMS(OBS, PRED)" CB 197 5.002 1 70 1 12 1 "RMS(OBS, PRED)" H 197 0.671 1 71 1 12 1 "RMS(OBS, PRED)" HA 210 0.383 1 72 1 12 1 "RMS(OBS, PRED)" N 197 4.377 1 73 1 13 1 "RMS(OBS, PRED)" C 202 1.622 1 74 1 13 1 "RMS(OBS, PRED)" CA 212 1.937 1 75 1 13 1 "RMS(OBS, PRED)" CB 197 4.982 1 76 1 13 1 "RMS(OBS, PRED)" H 197 0.683 1 77 1 13 1 "RMS(OBS, PRED)" HA 210 0.417 1 78 1 13 1 "RMS(OBS, PRED)" N 197 4.241 1 79 1 14 1 "RMS(OBS, PRED)" C 202 1.630 1 80 1 14 1 "RMS(OBS, PRED)" CA 212 1.789 1 81 1 14 1 "RMS(OBS, PRED)" CB 197 4.819 1 82 1 14 1 "RMS(OBS, PRED)" H 197 0.691 1 83 1 14 1 "RMS(OBS, PRED)" HA 210 0.456 1 84 1 14 1 "RMS(OBS, PRED)" N 197 4.379 1 85 1 15 1 "RMS(OBS, PRED)" C 202 1.722 1 86 1 15 1 "RMS(OBS, PRED)" CA 212 2.023 1 87 1 15 1 "RMS(OBS, PRED)" CB 197 4.890 1 88 1 15 1 "RMS(OBS, PRED)" H 197 0.663 1 89 1 15 1 "RMS(OBS, PRED)" HA 210 0.444 1 90 1 15 1 "RMS(OBS, PRED)" N 197 4.449 1 91 1 16 1 "RMS(OBS, PRED)" C 202 1.572 1 92 1 16 1 "RMS(OBS, PRED)" CA 212 1.885 1 93 1 16 1 "RMS(OBS, PRED)" CB 197 4.890 1 94 1 16 1 "RMS(OBS, PRED)" H 197 0.700 1 95 1 16 1 "RMS(OBS, PRED)" HA 210 0.436 1 96 1 16 1 "RMS(OBS, PRED)" N 197 4.372 1 97 1 17 1 "RMS(OBS, PRED)" C 202 1.692 1 98 1 17 1 "RMS(OBS, PRED)" CA 212 1.896 1 99 1 17 1 "RMS(OBS, PRED)" CB 197 4.990 1 100 1 17 1 "RMS(OBS, PRED)" H 197 0.692 1 101 1 17 1 "RMS(OBS, PRED)" HA 210 0.469 1 102 1 17 1 "RMS(OBS, PRED)" N 197 4.116 1 103 1 18 1 "RMS(OBS, PRED)" C 202 1.565 1 104 1 18 1 "RMS(OBS, PRED)" CA 212 1.794 1 105 1 18 1 "RMS(OBS, PRED)" CB 197 4.905 1 106 1 18 1 "RMS(OBS, PRED)" H 197 0.714 1 107 1 18 1 "RMS(OBS, PRED)" HA 210 0.449 1 108 1 18 1 "RMS(OBS, PRED)" N 197 4.470 1 109 1 19 1 "RMS(OBS, PRED)" C 202 1.731 1 110 1 19 1 "RMS(OBS, PRED)" CA 212 1.855 1 111 1 19 1 "RMS(OBS, PRED)" CB 197 4.833 1 112 1 19 1 "RMS(OBS, PRED)" H 197 0.689 1 113 1 19 1 "RMS(OBS, PRED)" HA 210 0.472 1 114 1 19 1 "RMS(OBS, PRED)" N 197 4.319 1 115 1 20 1 "RMS(OBS, PRED)" C 202 1.688 1 116 1 20 1 "RMS(OBS, PRED)" CA 212 1.932 1 117 1 20 1 "RMS(OBS, PRED)" CB 197 4.873 1 118 1 20 1 "RMS(OBS, PRED)" H 197 0.692 1 119 1 20 1 "RMS(OBS, PRED)" HA 210 0.434 1 120 1 20 1 "RMS(OBS, PRED)" N 197 4.282 1 stop_ save_ save_delta_chem_shifts_average _Entity_delta_chem_shifts.Sf_category delta_chem_shifts _Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average _Entity_delta_chem_shifts.Conformer_type "average" _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Assigned_chem_shift_list_ID _Delta_CS.Atom_chem_shift_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.PDB_asym_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entity_delta_chem_shifts_ID 1 17 . 1 1 A 12 12 VAL H H 225 7.819 8.330 -0.511 2 1 18 . 1 1 A 12 12 VAL HA H 225 4.946 3.920 1.026 2 1 26 . 1 1 A 12 12 VAL C C 225 175.898 176.140 -0.242 2 1 27 . 1 1 A 12 12 VAL CA C 225 59.650 63.023 -3.373 2 1 28 . 1 1 A 12 12 VAL CB C 225 35.296 32.197 3.099 2 1 31 . 1 1 A 12 12 VAL N N 225 117.637 122.277 -4.640 2 1 32 . 1 1 A 13 13 TYR H H 226 8.318 8.649 -0.331 2 1 33 . 1 1 A 13 13 TYR HA H 226 4.291 4.268 0.023 2 1 36 . 1 1 A 13 13 TYR C C 226 176.911 175.797 1.114 2 1 37 . 1 1 A 13 13 TYR CA C 226 60.063 58.999 1.064 2 1 38 . 1 1 A 13 13 TYR CB C 226 37.843 36.920 0.923 2 1 39 . 1 1 A 13 13 TYR N N 226 122.976 125.132 -2.156 2 1 40 . 1 1 A 14 14 GLN H H 227 9.128 7.848 1.280 2 1 41 . 1 1 A 14 14 GLN HA H 227 3.996 4.283 -0.287 2 1 46 . 1 1 A 14 14 GLN C C 227 175.052 176.343 -1.291 2 1 47 . 1 1 A 14 14 GLN CA C 227 57.421 56.339 1.082 2 1 48 . 1 1 A 14 14 GLN CB C 227 29.550 28.795 0.755 2 1 50 . 1 1 A 14 14 GLN N N 227 124.676 120.175 4.501 2 1 51 . 1 1 A 15 15 MET H H 228 8.465 7.891 0.574 2 1 52 . 1 1 A 15 15 MET HA H 228 5.210 4.437 0.773 2 1 60 . 1 1 A 15 15 MET C C 228 172.979 176.128 -3.149 2 1 61 . 1 1 A 15 15 MET CA C 228 52.955 55.289 -2.334 2 1 62 . 1 1 A 15 15 MET CB C 228 30.751 31.506 -0.755 2 1 65 . 1 1 A 15 15 MET N N 228 128.835 118.926 9.909 2 1 66 . 1 1 A 16 16 LYS H H 229 9.119 8.193 0.926 2 1 67 . 1 1 A 16 16 LYS HA H 229 4.558 4.417 0.141 2 1 76 . 1 1 A 16 16 LYS C C 229 176.209 176.334 -0.125 2 1 77 . 1 1 A 16 16 LYS CA C 229 55.916 56.591 -0.675 2 1 78 . 1 1 A 16 16 LYS CB C 229 35.555 32.896 2.659 2 1 82 . 1 1 A 16 16 LYS N N 229 120.235 121.966 -1.731 2 1 83 . 1 1 A 17 17 SER H H 230 9.101 8.094 1.007 2 1 84 . 1 1 A 17 17 SER HA H 230 4.077 4.493 -0.416 2 1 87 . 1 1 A 17 17 SER C C 230 172.995 173.939 -0.944 2 1 88 . 1 1 A 17 17 SER CA C 230 59.615 58.329 1.286 2 1 89 . 1 1 A 17 17 SER CB C 230 64.482 63.848 0.634 2 1 90 . 1 1 A 17 17 SER N N 230 121.500 115.330 6.170 2 1 91 . 1 1 A 18 18 LYS H H 231 8.120 8.201 -0.081 2 1 92 . 1 1 A 18 18 LYS HA H 231 4.373 4.393 -0.020 2 1 101 . 1 1 A 18 18 LYS C C 231 173.565 175.999 -2.434 2 1 102 . 1 1 A 18 18 LYS CA C 231 53.231 55.896 -2.665 2 1 103 . 1 1 A 18 18 LYS CB C 231 34.596 32.191 2.405 2 1 107 . 1 1 A 18 18 LYS N N 231 120.561 121.326 -0.765 2 1 108 . 1 1 A 19 19 PRO HA H 232 4.898 4.459 0.439 2 1 115 . 1 1 A 19 19 PRO C C 232 176.162 177.186 -1.024 2 1 116 . 1 1 A 19 19 PRO CA C 232 62.838 63.899 -1.061 2 1 117 . 1 1 A 19 19 PRO CB C 232 34.997 32.207 2.790 2 1 120 . 1 1 A 20 20 ARG H H 233 8.782 8.548 0.234 2 1 121 . 1 1 A 20 20 ARG HA H 233 3.651 4.217 -0.566 2 1 122 . 1 1 A 20 20 ARG C C 233 175.210 176.087 -0.877 2 1 123 . 1 1 A 20 20 ARG CA C 233 56.621 56.898 -0.277 2 1 124 . 1 1 A 20 20 ARG CB C 233 30.581 29.260 1.321 2 1 127 . 1 1 A 20 20 ARG N N 233 118.785 118.143 0.642 2 1 128 . 1 1 A 21 21 GLY H H 234 6.490 8.017 -1.527 2 1 129 . 1 1 A 21 21 GLY HA2 H 234 4.312 3.848 0.464 2 1 130 . 1 1 A 21 21 GLY HA3 H 234 4.662 4.044 0.618 2 1 131 . 1 1 A 21 21 GLY C C 234 172.012 172.823 -0.811 2 1 132 . 1 1 A 21 21 GLY CA C 234 43.743 45.629 -1.886 2 1 133 . 1 1 A 21 21 GLY N N 234 128.529 107.108 21.422 2 1 134 . 1 1 A 22 22 TYR H H 235 9.327 8.507 0.821 2 1 135 . 1 1 A 22 22 TYR HA H 235 5.260 4.961 0.299 2 1 140 . 1 1 A 22 22 TYR C C 235 173.931 175.059 -1.128 2 1 141 . 1 1 A 22 22 TYR CA C 235 58.287 57.354 0.933 2 1 142 . 1 1 A 22 22 TYR CB C 235 39.762 38.532 1.231 2 1 145 . 1 1 A 22 22 TYR N N 235 119.429 121.518 -2.089 2 1 146 . 1 1 A 23 23 CYS H H 236 8.665 8.460 0.205 2 1 147 . 1 1 A 23 23 CYS HA H 236 4.928 4.594 0.334 2 1 148 . 1 1 A 23 23 CYS C C 236 172.970 174.020 -1.050 2 1 149 . 1 1 A 23 23 CYS CA C 236 55.636 58.468 -2.832 2 1 150 . 1 1 A 23 23 CYS CB C 236 50.040 29.192 20.848 2 1 151 . 1 1 A 23 23 CYS N N 236 120.485 122.829 -2.344 2 1 152 . 1 1 A 24 24 LEU H H 237 8.619 8.439 0.180 2 1 153 . 1 1 A 24 24 LEU HA H 237 4.691 5.089 -0.398 2 1 163 . 1 1 A 24 24 LEU C C 237 175.850 175.862 -0.012 2 1 164 . 1 1 A 24 24 LEU CA C 237 54.053 53.739 0.314 2 1 165 . 1 1 A 24 24 LEU CB C 237 44.117 43.424 0.693 2 1 169 . 1 1 A 24 24 LEU N N 237 129.465 124.294 5.171 2 1 170 . 1 1 A 25 25 ILE H H 238 8.304 8.937 -0.633 2 1 171 . 1 1 A 25 25 ILE HA H 238 4.639 4.859 -0.220 2 1 179 . 1 1 A 25 25 ILE C C 238 174.032 174.945 -0.913 2 1 180 . 1 1 A 25 25 ILE CA C 238 60.879 60.356 0.523 2 1 181 . 1 1 A 25 25 ILE CB C 238 41.165 40.710 0.455 2 1 185 . 1 1 A 25 25 ILE N N 238 122.597 124.268 -1.671 2 1 186 . 1 1 A 26 26 ILE H H 239 9.025 8.900 0.125 2 1 187 . 1 1 A 26 26 ILE HA H 239 4.778 4.970 -0.192 2 1 197 . 1 1 A 26 26 ILE C C 239 173.104 174.632 -1.528 2 1 198 . 1 1 A 26 26 ILE CA C 239 60.733 60.222 0.511 2 1 199 . 1 1 A 26 26 ILE CB C 239 38.237 39.661 -1.424 2 1 203 . 1 1 A 26 26 ILE N N 239 129.303 127.772 1.531 2 1 204 . 1 1 A 27 27 ASN H H 240 8.957 9.131 -0.174 2 1 205 . 1 1 A 27 27 ASN HA H 240 5.174 5.379 -0.205 2 1 208 . 1 1 A 27 27 ASN C C 240 172.948 173.855 -0.906 2 1 209 . 1 1 A 27 27 ASN CA C 240 52.055 51.970 0.085 2 1 210 . 1 1 A 27 27 ASN CB C 240 40.530 41.194 -0.664 2 1 211 . 1 1 A 27 27 ASN N N 240 125.494 126.114 -0.620 2 1 212 . 1 1 A 28 28 ASN H H 241 9.118 8.739 0.379 2 1 213 . 1 1 A 28 28 ASN HA H 241 5.106 5.195 -0.089 2 1 216 . 1 1 A 28 28 ASN C C 241 172.184 175.183 -2.999 2 1 217 . 1 1 A 28 28 ASN CA C 241 52.599 52.234 0.365 2 1 218 . 1 1 A 28 28 ASN CB C 241 38.296 40.900 -2.604 2 1 219 . 1 1 A 28 28 ASN N N 241 125.089 121.441 3.648 2 1 220 . 1 1 A 29 29 HIS H H 242 9.512 8.647 0.865 2 1 221 . 1 1 A 29 29 HIS HA H 242 4.384 4.689 -0.305 2 1 224 . 1 1 A 29 29 HIS C C 242 173.519 175.160 -1.641 2 1 225 . 1 1 A 29 29 HIS CA C 242 59.174 56.901 2.273 2 1 226 . 1 1 A 29 29 HIS CB C 242 28.022 31.073 -3.051 2 1 227 . 1 1 A 29 29 HIS N N 242 125.634 121.484 4.150 2 1 228 . 1 1 A 30 30 ASN H H 243 8.623 7.894 0.729 2 1 229 . 1 1 A 30 30 ASN HA H 243 4.148 4.588 -0.440 2 1 234 . 1 1 A 30 30 ASN C C 243 175.052 175.441 -0.389 2 1 235 . 1 1 A 30 30 ASN CA C 243 53.229 53.245 -0.016 2 1 236 . 1 1 A 30 30 ASN CB C 243 38.980 39.388 -0.408 2 1 237 . 1 1 A 30 30 ASN N N 243 119.059 117.423 1.636 2 1 239 . 1 1 A 31 31 PHE H H 244 8.676 8.267 0.409 2 1 240 . 1 1 A 31 31 PHE HA H 244 4.686 4.767 -0.081 2 1 243 . 1 1 A 31 31 PHE C C 244 174.399 176.492 -2.093 2 1 244 . 1 1 A 31 31 PHE CA C 244 57.688 57.450 0.238 2 1 245 . 1 1 A 31 31 PHE CB C 244 39.026 39.206 -0.180 2 1 246 . 1 1 A 31 31 PHE N N 244 124.091 120.135 3.956 2 1 247 . 1 1 A 32 32 ALA H H 245 8.244 7.857 0.387 2 1 248 . 1 1 A 32 32 ALA HA H 245 3.869 3.935 -0.066 2 1 252 . 1 1 A 32 32 ALA C C 245 180.452 178.714 1.738 2 1 253 . 1 1 A 32 32 ALA CA C 245 56.274 54.795 1.479 2 1 254 . 1 1 A 32 32 ALA CB C 245 18.181 18.616 -0.435 2 1 255 . 1 1 A 32 32 ALA N N 245 122.713 123.487 -0.774 2 1 256 . 1 1 A 33 33 LYS H H 246 8.964 7.978 0.986 2 1 257 . 1 1 A 33 33 LYS HA H 246 4.089 4.374 -0.285 2 1 266 . 1 1 A 33 33 LYS C C 246 177.441 177.489 -0.048 2 1 267 . 1 1 A 33 33 LYS CA C 246 58.632 56.609 2.023 2 1 268 . 1 1 A 33 33 LYS CB C 246 30.418 32.944 -2.526 2 1 272 . 1 1 A 33 33 LYS N N 246 116.888 116.031 0.857 2 1 273 . 1 1 A 34 34 ALA H H 247 7.088 7.991 -0.903 2 1 274 . 1 1 A 34 34 ALA HA H 247 3.752 4.217 -0.465 2 1 278 . 1 1 A 34 34 ALA C C 247 177.581 179.029 -1.448 2 1 279 . 1 1 A 34 34 ALA CA C 247 55.502 53.707 1.795 2 1 280 . 1 1 A 34 34 ALA CB C 247 18.099 19.083 -0.984 2 1 281 . 1 1 A 34 34 ALA N N 247 122.047 121.951 0.096 2 1 282 . 1 1 A 35 35 ARG H H 248 7.706 8.224 -0.518 2 1 283 . 1 1 A 35 35 ARG HA H 248 4.338 4.137 0.201 2 1 292 . 1 1 A 35 35 ARG C C 248 179.094 177.721 1.373 2 1 293 . 1 1 A 35 35 ARG CA C 248 56.283 58.513 -2.230 2 1 294 . 1 1 A 35 35 ARG CB C 248 30.668 29.738 0.930 2 1 297 . 1 1 A 35 35 ARG N N 248 112.008 117.944 -5.936 2 1 299 . 1 1 A 36 36 GLU H H 249 7.707 7.940 -0.233 2 1 300 . 1 1 A 36 36 GLU HA H 249 4.121 4.237 -0.116 2 1 305 . 1 1 A 36 36 GLU C C 249 178.205 178.446 -0.241 2 1 306 . 1 1 A 36 36 GLU CA C 249 58.194 58.311 -0.117 2 1 307 . 1 1 A 36 36 GLU CB C 249 30.596 30.195 0.401 2 1 309 . 1 1 A 36 36 GLU N N 249 116.945 119.189 -2.243 2 1 310 . 1 1 A 37 37 LYS H H 250 7.954 7.965 -0.011 2 1 311 . 1 1 A 37 37 LYS HA H 250 4.381 4.159 0.222 2 1 320 . 1 1 A 37 37 LYS C C 250 176.772 176.792 -0.020 2 1 321 . 1 1 A 37 37 LYS CA C 250 57.323 58.421 -1.098 2 1 322 . 1 1 A 37 37 LYS CB C 250 34.892 32.869 2.023 2 1 326 . 1 1 A 37 37 LYS N N 250 114.798 119.240 -4.442 2 1 327 . 1 1 A 38 38 VAL H H 251 8.298 7.974 0.324 2 1 328 . 1 1 A 38 38 VAL HA H 251 4.582 4.549 0.033 2 1 336 . 1 1 A 38 38 VAL C C 251 174.903 174.631 0.272 2 1 337 . 1 1 A 38 38 VAL CA C 251 60.316 59.033 1.283 2 1 338 . 1 1 A 38 38 VAL CB C 251 32.374 32.160 0.214 2 1 341 . 1 1 A 38 38 VAL N N 251 120.907 117.302 3.605 2 1 342 . 1 1 A 40 40 LYS H H 253 8.588 8.576 0.012 2 1 343 . 1 1 A 40 40 LYS HA H 253 4.275 4.197 0.078 2 1 352 . 1 1 A 40 40 LYS C C 253 176.447 177.593 -1.146 2 1 353 . 1 1 A 40 40 LYS CA C 253 58.550 58.334 0.216 2 1 354 . 1 1 A 40 40 LYS CB C 253 31.568 31.901 -0.333 2 1 358 . 1 1 A 40 40 LYS N N 253 113.861 116.881 -3.020 2 1 359 . 1 1 A 41 41 LEU H H 254 7.948 7.775 0.173 2 1 360 . 1 1 A 41 41 LEU HA H 254 4.391 4.231 0.160 2 1 370 . 1 1 A 41 41 LEU C C 254 175.989 177.709 -1.720 2 1 371 . 1 1 A 41 41 LEU CA C 254 53.279 55.439 -2.160 2 1 372 . 1 1 A 41 41 LEU CB C 254 40.369 41.385 -1.016 2 1 376 . 1 1 A 41 41 LEU N N 254 118.998 119.452 -0.454 2 1 377 . 1 1 A 42 42 HIS H H 255 7.167 7.893 -0.726 2 1 378 . 1 1 A 42 42 HIS HA H 255 4.376 4.450 -0.074 2 1 382 . 1 1 A 42 42 HIS C C 255 174.836 176.319 -1.483 2 1 383 . 1 1 A 42 42 HIS CA C 255 59.188 57.176 2.012 2 1 384 . 1 1 A 42 42 HIS CB C 255 30.311 29.925 0.386 2 1 386 . 1 1 A 42 42 HIS N N 255 116.251 118.404 -2.153 2 1 387 . 1 1 A 43 43 SER H H 256 7.735 7.783 -0.048 2 1 388 . 1 1 A 43 43 SER HA H 256 4.490 4.208 0.282 2 1 391 . 1 1 A 43 43 SER C C 256 174.045 174.287 -0.242 2 1 392 . 1 1 A 43 43 SER CA C 256 56.420 58.868 -2.449 2 1 393 . 1 1 A 43 43 SER CB C 256 64.093 63.094 0.999 2 1 394 . 1 1 A 43 43 SER N N 256 110.725 113.575 -2.850 2 1 395 . 1 1 A 44 44 ILE H H 257 7.403 7.404 -0.001 2 1 396 . 1 1 A 44 44 ILE HA H 257 3.806 4.267 -0.461 2 1 406 . 1 1 A 44 44 ILE C C 257 174.321 175.254 -0.933 2 1 407 . 1 1 A 44 44 ILE CA C 257 61.640 60.547 1.093 2 1 408 . 1 1 A 44 44 ILE CB C 257 38.324 39.242 -0.918 2 1 412 . 1 1 A 44 44 ILE N N 257 124.717 119.261 5.456 2 1 413 . 1 1 A 45 45 ARG H H 258 8.043 8.333 -0.290 2 1 414 . 1 1 A 45 45 ARG HA H 258 4.201 4.392 -0.191 2 1 421 . 1 1 A 45 45 ARG C C 258 177.535 176.227 1.308 2 1 422 . 1 1 A 45 45 ARG CA C 258 55.412 55.416 -0.004 2 1 423 . 1 1 A 45 45 ARG CB C 258 31.546 31.324 0.222 2 1 426 . 1 1 A 45 45 ARG N N 258 124.319 123.691 0.628 2 1 427 . 1 1 A 46 46 ASP H H 259 8.584 8.566 0.018 2 1 428 . 1 1 A 46 46 ASP HA H 259 5.096 4.492 0.604 2 1 431 . 1 1 A 46 46 ASP C C 259 177.819 176.451 1.368 2 1 432 . 1 1 A 46 46 ASP CA C 259 55.248 55.862 -0.614 2 1 433 . 1 1 A 46 46 ASP CB C 259 39.614 40.541 -0.927 2 1 434 . 1 1 A 46 46 ASP N N 259 120.371 122.996 -2.625 2 1 435 . 1 1 A 47 47 ARG H H 260 8.632 7.891 0.741 2 1 442 . 1 1 A 47 47 ARG CA C 260 56.228 57.025 -0.797 2 1 443 . 1 1 A 47 47 ARG CB C 260 26.981 30.358 -3.377 2 1 445 . 1 1 A 47 47 ARG N N 260 123.120 119.696 3.424 2 1 447 . 1 1 A 51 51 HIS HA H 264 4.293 4.483 -0.190 2 1 451 . 1 1 A 51 51 HIS C C 264 178.002 176.143 1.859 2 1 452 . 1 1 A 51 51 HIS CA C 264 60.062 57.252 2.810 2 1 453 . 1 1 A 51 51 HIS CB C 264 29.109 29.420 -0.311 2 1 455 . 1 1 A 52 52 LEU H H 265 7.474 7.785 -0.311 2 1 456 . 1 1 A 52 52 LEU HA H 265 4.125 3.913 0.212 2 1 466 . 1 1 A 52 52 LEU C C 265 180.623 178.235 2.388 2 1 467 . 1 1 A 52 52 LEU CA C 265 56.921 57.287 -0.366 2 1 468 . 1 1 A 52 52 LEU CB C 265 40.572 41.696 -1.124 2 1 472 . 1 1 A 52 52 LEU N N 265 122.692 120.755 1.937 2 1 473 . 1 1 A 53 53 ASP H H 266 6.993 8.206 -1.213 2 1 474 . 1 1 A 53 53 ASP C C 266 176.536 177.693 -1.157 2 1 475 . 1 1 A 53 53 ASP CA C 266 56.718 56.480 0.237 2 1 476 . 1 1 A 53 53 ASP CB C 266 39.787 41.096 -1.309 2 1 477 . 1 1 A 53 53 ASP N N 266 122.192 118.812 3.380 2 1 478 . 1 1 A 54 54 ALA H H 267 8.217 8.164 0.053 2 1 479 . 1 1 A 54 54 ALA HA H 267 3.840 4.180 -0.340 2 1 483 . 1 1 A 54 54 ALA C C 267 180.507 179.724 0.783 2 1 484 . 1 1 A 54 54 ALA CA C 267 55.836 54.646 1.190 2 1 485 . 1 1 A 54 54 ALA CB C 267 17.386 18.797 -1.411 2 1 486 . 1 1 A 54 54 ALA N N 267 121.612 121.724 -0.112 2 1 487 . 1 1 A 55 55 GLY H H 268 8.481 8.363 0.118 2 1 488 . 1 1 A 55 55 GLY C C 268 174.929 176.004 -1.075 2 1 489 . 1 1 A 55 55 GLY CA C 268 46.546 46.861 -0.315 2 1 490 . 1 1 A 55 55 GLY N N 268 107.453 106.202 1.251 2 1 491 . 1 1 A 56 56 ALA H H 269 7.759 8.023 -0.264 2 1 492 . 1 1 A 56 56 ALA HA H 269 4.190 4.059 0.131 2 1 496 . 1 1 A 56 56 ALA C C 269 180.493 179.790 0.703 2 1 497 . 1 1 A 56 56 ALA CA C 269 55.311 54.467 0.844 2 1 498 . 1 1 A 56 56 ALA CB C 269 17.951 18.616 -0.665 2 1 499 . 1 1 A 56 56 ALA N N 269 125.518 124.238 1.280 2 1 500 . 1 1 A 57 57 LEU H H 270 8.224 7.868 0.356 2 1 501 . 1 1 A 57 57 LEU HA H 270 3.840 4.116 -0.276 2 1 506 . 1 1 A 57 57 LEU C C 270 177.499 179.352 -1.853 2 1 507 . 1 1 A 57 57 LEU CA C 270 58.315 57.677 0.638 2 1 508 . 1 1 A 57 57 LEU CB C 270 43.182 41.901 1.281 2 1 511 . 1 1 A 57 57 LEU N N 270 121.610 118.965 2.645 2 1 512 . 1 1 A 58 58 THR H H 271 7.976 8.159 -0.183 2 1 513 . 1 1 A 58 58 THR HA H 271 4.432 4.032 0.400 2 1 518 . 1 1 A 58 58 THR C C 271 174.457 176.299 -1.842 2 1 519 . 1 1 A 58 58 THR CA C 271 68.788 66.616 2.172 2 1 520 . 1 1 A 58 58 THR CB C 271 67.557 68.718 -1.161 2 1 522 . 1 1 A 58 58 THR N N 271 115.528 115.380 0.148 2 1 523 . 1 1 A 59 59 THR H H 272 8.085 8.719 -0.634 2 1 524 . 1 1 A 59 59 THR HA H 272 3.911 4.007 -0.096 2 1 529 . 1 1 A 59 59 THR C C 272 176.131 176.924 -0.793 2 1 530 . 1 1 A 59 59 THR CA C 272 65.908 65.292 0.616 2 1 531 . 1 1 A 59 59 THR CB C 272 69.045 68.870 0.175 2 1 533 . 1 1 A 59 59 THR N N 272 114.864 114.384 0.480 2 1 534 . 1 1 A 60 60 THR H H 273 7.875 7.905 -0.030 2 1 535 . 1 1 A 60 60 THR HA H 273 3.423 3.830 -0.407 2 1 540 . 1 1 A 60 60 THR C C 273 175.166 175.891 -0.725 2 1 541 . 1 1 A 60 60 THR CA C 273 67.291 66.547 0.744 2 1 542 . 1 1 A 60 60 THR CB C 273 68.824 68.493 0.331 2 1 544 . 1 1 A 60 60 THR N N 273 116.718 117.161 -0.443 2 1 545 . 1 1 A 61 61 PHE H H 274 8.219 7.801 0.418 2 1 546 . 1 1 A 61 61 PHE HA H 274 4.213 4.460 -0.247 2 1 552 . 1 1 A 61 61 PHE C C 274 178.034 177.915 0.119 2 1 553 . 1 1 A 61 61 PHE CA C 274 63.308 60.834 2.474 2 1 554 . 1 1 A 61 61 PHE CB C 274 37.080 39.521 -2.441 2 1 558 . 1 1 A 61 61 PHE N N 274 114.721 117.761 -3.040 2 1 559 . 1 1 A 62 62 GLU H H 275 8.810 8.720 0.091 2 1 560 . 1 1 A 62 62 GLU HA H 275 4.416 4.045 0.371 2 1 565 . 1 1 A 62 62 GLU C C 275 181.232 179.056 2.176 2 1 566 . 1 1 A 62 62 GLU CA C 275 60.190 59.740 0.450 2 1 567 . 1 1 A 62 62 GLU CB C 275 28.990 29.253 -0.263 2 1 569 . 1 1 A 62 62 GLU N N 275 123.787 120.996 2.791 2 1 570 . 1 1 A 63 63 GLU H H 276 7.698 8.455 -0.757 2 1 571 . 1 1 A 63 63 GLU HA H 276 3.871 4.067 -0.196 2 1 575 . 1 1 A 63 63 GLU C C 276 176.721 177.169 -0.448 2 1 576 . 1 1 A 63 63 GLU CA C 276 58.821 58.477 0.344 2 1 577 . 1 1 A 63 63 GLU CB C 276 29.251 28.459 0.792 2 1 579 . 1 1 A 63 63 GLU N N 276 120.707 117.665 3.042 2 1 580 . 1 1 A 64 64 LEU H H 277 6.708 7.638 -0.930 2 1 581 . 1 1 A 64 64 LEU HA H 277 4.148 4.226 -0.078 2 1 589 . 1 1 A 64 64 LEU C C 277 174.571 176.022 -1.451 2 1 590 . 1 1 A 64 64 LEU CA C 277 54.060 54.737 -0.677 2 1 594 . 1 1 A 64 64 LEU N N 277 115.451 118.873 -3.422 2 1 595 . 1 1 A 65 65 HIS H H 278 7.388 7.994 -0.606 2 1 596 . 1 1 A 65 65 HIS HA H 278 4.259 4.153 0.106 2 1 599 . 1 1 A 65 65 HIS C C 278 174.571 173.985 0.586 2 1 600 . 1 1 A 65 65 HIS CA C 278 57.737 56.885 0.852 2 1 601 . 1 1 A 65 65 HIS CB C 278 26.020 27.169 -1.149 2 1 602 . 1 1 A 65 65 HIS N N 278 107.287 115.790 -8.503 2 1 603 . 1 1 A 66 66 PHE H H 279 8.554 7.712 0.842 2 1 604 . 1 1 A 66 66 PHE HA H 279 4.462 4.936 -0.474 2 1 610 . 1 1 A 66 66 PHE C C 279 174.258 174.418 -0.160 2 1 611 . 1 1 A 66 66 PHE CA C 279 58.032 56.698 1.334 2 1 612 . 1 1 A 66 66 PHE CB C 279 39.809 41.898 -2.089 2 1 616 . 1 1 A 66 66 PHE N N 279 117.992 116.899 1.093 2 1 617 . 1 1 A 67 67 GLU H H 280 8.403 8.752 -0.349 2 1 618 . 1 1 A 67 67 GLU HA H 280 4.631 4.711 -0.080 2 1 621 . 1 1 A 67 67 GLU C C 280 174.640 175.274 -0.634 2 1 622 . 1 1 A 67 67 GLU CA C 280 55.467 55.915 -0.448 2 1 623 . 1 1 A 67 67 GLU CB C 280 30.671 30.781 -0.110 2 1 625 . 1 1 A 67 67 GLU N N 280 120.980 120.480 0.500 2 1 626 . 1 1 A 68 68 ILE H H 281 8.988 8.719 0.269 2 1 627 . 1 1 A 68 68 ILE HA H 281 4.491 4.656 -0.165 2 1 636 . 1 1 A 68 68 ILE C C 281 176.177 174.694 1.483 2 1 637 . 1 1 A 68 68 ILE CA C 281 59.688 60.071 -0.383 2 1 638 . 1 1 A 68 68 ILE CB C 281 35.090 40.425 -5.335 2 1 642 . 1 1 A 68 68 ILE N N 281 127.994 125.553 2.441 2 1 643 . 1 1 A 69 69 LYS H H 282 8.559 8.634 -0.075 2 1 644 . 1 1 A 69 69 LYS HA H 282 4.981 4.827 0.154 2 1 645 . 1 1 A 69 69 LYS CA C 282 50.465 53.316 -2.851 2 1 646 . 1 1 A 69 69 LYS CB C 282 32.762 33.448 -0.686 2 1 649 . 1 1 A 69 69 LYS N N 282 126.350 127.337 -0.987 2 1 650 . 1 1 A 70 70 PRO HA H 283 5.133 4.755 0.378 2 1 651 . 1 1 A 70 70 PRO C C 283 176.378 176.135 0.243 2 1 652 . 1 1 A 70 70 PRO CA C 283 62.027 62.573 -0.546 2 1 653 . 1 1 A 70 70 PRO CB C 283 32.856 31.278 1.578 2 1 655 . 1 1 A 71 71 HIS H H 284 8.967 8.601 0.366 2 1 656 . 1 1 A 71 71 HIS HA H 284 4.465 4.888 -0.423 2 1 660 . 1 1 A 71 71 HIS C C 284 172.714 174.616 -1.902 2 1 661 . 1 1 A 71 71 HIS CA C 284 55.994 55.432 0.562 2 1 662 . 1 1 A 71 71 HIS CB C 284 33.678 30.616 3.062 2 1 664 . 1 1 A 71 71 HIS N N 284 121.708 122.045 -0.337 2 1 665 . 1 1 A 72 72 ASP H H 285 8.625 8.615 0.010 2 1 666 . 1 1 A 72 72 ASP HA H 285 5.695 4.829 0.866 2 1 669 . 1 1 A 72 72 ASP C C 285 175.881 175.545 0.336 2 1 670 . 1 1 A 72 72 ASP CA C 285 53.201 53.024 0.177 2 1 671 . 1 1 A 72 72 ASP CB C 285 43.758 42.151 1.607 2 1 672 . 1 1 A 72 72 ASP N N 285 122.941 122.907 0.034 2 1 673 . 1 1 A 73 73 ASP H H 286 9.212 8.756 0.456 2 1 674 . 1 1 A 73 73 ASP HA H 286 4.263 4.468 -0.205 2 1 676 . 1 1 A 73 73 ASP C C 286 174.368 175.332 -0.964 2 1 677 . 1 1 A 73 73 ASP CA C 286 56.488 54.810 1.678 2 1 678 . 1 1 A 73 73 ASP CB C 286 39.083 40.202 -1.119 2 1 679 . 1 1 A 73 73 ASP N N 286 119.175 120.378 -1.203 2 1 680 . 1 1 A 74 74 CYS H H 287 8.750 8.097 0.653 2 1 681 . 1 1 A 74 74 CYS HA H 287 4.854 4.982 -0.128 2 1 684 . 1 1 A 74 74 CYS C C 287 176.146 174.124 2.022 2 1 685 . 1 1 A 74 74 CYS CA C 287 58.552 57.993 0.559 2 1 686 . 1 1 A 74 74 CYS CB C 287 53.204 29.183 24.021 2 1 687 . 1 1 A 74 74 CYS N N 287 119.631 119.932 -0.301 2 1 688 . 1 1 A 75 75 THR H H 288 8.535 8.656 -0.121 2 1 689 . 1 1 A 75 75 THR HA H 288 4.163 4.455 -0.292 2 1 694 . 1 1 A 75 75 THR C C 288 174.663 175.979 -1.316 2 1 695 . 1 1 A 75 75 THR CA C 288 61.353 62.124 -0.771 2 1 696 . 1 1 A 75 75 THR CB C 288 70.100 70.111 -0.011 2 1 698 . 1 1 A 75 75 THR N N 288 115.998 119.635 -3.637 2 1 699 . 1 1 A 76 76 VAL H H 289 8.083 8.681 -0.598 2 1 700 . 1 1 A 76 76 VAL HA H 289 3.414 3.744 -0.330 2 1 708 . 1 1 A 76 76 VAL C C 289 176.443 177.110 -0.667 2 1 709 . 1 1 A 76 76 VAL CA C 289 69.066 65.676 3.390 2 1 710 . 1 1 A 76 76 VAL CB C 289 30.361 31.614 -1.253 2 1 713 . 1 1 A 76 76 VAL N N 289 120.599 123.627 -3.028 2 1 714 . 1 1 A 77 77 GLU H H 290 9.095 8.214 0.881 2 1 715 . 1 1 A 77 77 GLU HA H 290 4.027 3.756 0.271 2 1 720 . 1 1 A 77 77 GLU C C 290 179.172 178.361 0.811 2 1 721 . 1 1 A 77 77 GLU CA C 290 59.831 59.157 0.674 2 1 722 . 1 1 A 77 77 GLU CB C 290 29.493 29.252 0.241 2 1 724 . 1 1 A 77 77 GLU N N 290 119.191 120.654 -1.463 2 1 725 . 1 1 A 78 78 GLN H H 291 7.523 7.877 -0.354 2 1 726 . 1 1 A 78 78 GLN HA H 291 4.079 4.201 -0.122 2 1 731 . 1 1 A 78 78 GLN C C 291 177.815 178.248 -0.433 2 1 732 . 1 1 A 78 78 GLN CA C 291 58.920 57.939 0.981 2 1 734 . 1 1 A 78 78 GLN N N 291 117.101 118.068 -0.967 2 1 735 . 1 1 A 79 79 ILE H H 292 8.368 7.900 0.468 2 1 736 . 1 1 A 79 79 ILE HA H 292 3.427 3.720 -0.293 2 1 746 . 1 1 A 79 79 ILE C C 292 177.133 177.979 -0.846 2 1 747 . 1 1 A 79 79 ILE CA C 292 67.132 64.820 2.312 2 1 748 . 1 1 A 79 79 ILE CB C 292 37.163 37.334 -0.171 2 1 752 . 1 1 A 79 79 ILE N N 292 120.006 120.564 -0.558 2 1 753 . 1 1 A 80 80 TYR H H 293 8.302 7.862 0.440 2 1 754 . 1 1 A 80 80 TYR HA H 293 4.179 4.370 -0.191 2 1 759 . 1 1 A 80 80 TYR C C 293 178.907 178.248 0.659 2 1 760 . 1 1 A 80 80 TYR CA C 293 61.737 60.496 1.241 2 1 761 . 1 1 A 80 80 TYR CB C 293 37.201 37.842 -0.641 2 1 764 . 1 1 A 80 80 TYR N N 293 116.291 120.552 -4.261 2 1 765 . 1 1 A 81 81 GLU H H 294 8.170 8.518 -0.348 2 1 766 . 1 1 A 81 81 GLU HA H 294 4.036 4.184 -0.148 2 1 771 . 1 1 A 81 81 GLU C C 294 178.414 178.238 0.176 2 1 772 . 1 1 A 81 81 GLU CA C 294 59.768 58.571 1.197 2 1 773 . 1 1 A 81 81 GLU CB C 294 29.489 29.312 0.177 2 1 775 . 1 1 A 81 81 GLU N N 294 120.325 119.245 1.080 2 1 776 . 1 1 A 82 82 ILE H H 295 8.501 7.745 0.756 2 1 777 . 1 1 A 82 82 ILE HA H 295 3.675 3.793 -0.118 2 1 787 . 1 1 A 82 82 ILE C C 295 177.751 178.012 -0.261 2 1 788 . 1 1 A 82 82 ILE CA C 295 65.288 63.919 1.369 2 1 789 . 1 1 A 82 82 ILE CB C 295 38.497 37.644 0.853 2 1 793 . 1 1 A 82 82 ILE N N 295 120.434 119.753 0.681 2 1 794 . 1 1 A 83 83 LEU H H 296 8.508 7.852 0.656 2 1 795 . 1 1 A 83 83 LEU HA H 296 4.289 3.701 0.588 2 1 805 . 1 1 A 83 83 LEU C C 296 178.393 179.026 -0.633 2 1 806 . 1 1 A 83 83 LEU CA C 296 58.937 57.517 1.420 2 1 807 . 1 1 A 83 83 LEU CB C 296 39.626 41.341 -1.715 2 1 811 . 1 1 A 83 83 LEU N N 296 116.807 121.102 -4.295 2 1 812 . 1 1 A 84 84 LYS H H 297 8.048 7.912 0.136 2 1 813 . 1 1 A 84 84 LYS HA H 297 3.967 4.064 -0.097 2 1 820 . 1 1 A 84 84 LYS C C 297 177.773 178.734 -0.961 2 1 821 . 1 1 A 84 84 LYS CA C 297 58.890 58.816 0.074 2 1 822 . 1 1 A 84 84 LYS CB C 297 31.169 32.183 -1.014 2 1 826 . 1 1 A 84 84 LYS N N 297 118.687 118.008 0.679 2 1 827 . 1 1 A 85 85 ILE H H 298 7.694 7.765 -0.071 2 1 828 . 1 1 A 85 85 ILE HA H 298 3.456 3.705 -0.249 2 1 838 . 1 1 A 85 85 ILE C C 298 179.100 177.872 1.228 2 1 839 . 1 1 A 85 85 ILE CA C 298 65.307 64.976 0.331 2 1 840 . 1 1 A 85 85 ILE CB C 298 36.965 37.390 -0.425 2 1 844 . 1 1 A 85 85 ILE N N 298 118.157 120.845 -2.688 2 1 845 . 1 1 A 86 86 TYR H H 299 7.613 7.584 0.029 2 1 846 . 1 1 A 86 86 TYR HA H 299 4.103 4.451 -0.348 2 1 851 . 1 1 A 86 86 TYR C C 299 177.425 178.211 -0.786 2 1 852 . 1 1 A 86 86 TYR CA C 299 63.129 60.531 2.598 2 1 853 . 1 1 A 86 86 TYR CB C 299 38.745 37.900 0.845 2 1 856 . 1 1 A 86 86 TYR N N 299 115.499 120.169 -4.670 2 1 857 . 1 1 A 87 87 GLN H H 300 9.112 8.257 0.855 2 1 858 . 1 1 A 87 87 GLN HA H 300 3.977 4.153 -0.176 2 1 861 . 1 1 A 87 87 GLN C C 300 176.380 178.168 -1.788 2 1 862 . 1 1 A 87 87 GLN CA C 300 58.976 58.316 0.661 2 1 863 . 1 1 A 87 87 GLN CB C 300 28.819 28.475 0.344 2 1 865 . 1 1 A 87 87 GLN N N 300 125.039 119.794 5.245 2 1 866 . 1 1 A 88 88 LEU H H 301 7.536 7.984 -0.448 2 1 867 . 1 1 A 88 88 LEU HA H 301 4.309 4.109 0.200 2 1 877 . 1 1 A 88 88 LEU C C 301 177.129 179.631 -2.502 2 1 878 . 1 1 A 88 88 LEU CA C 301 55.142 57.342 -2.200 2 1 879 . 1 1 A 88 88 LEU CB C 301 41.809 41.327 0.482 2 1 883 . 1 1 A 88 88 LEU N N 301 115.623 119.791 -4.168 2 1 884 . 1 1 A 89 89 MET H H 302 7.025 8.093 -1.068 2 1 885 . 1 1 A 89 89 MET HA H 302 4.031 4.100 -0.069 2 1 893 . 1 1 A 89 89 MET C C 302 172.664 175.958 -3.294 2 1 894 . 1 1 A 89 89 MET CA C 302 55.513 58.991 -3.478 2 1 895 . 1 1 A 89 89 MET CB C 302 33.748 32.626 1.123 2 1 898 . 1 1 A 89 89 MET N N 302 120.789 118.883 1.906 2 1 899 . 1 1 A 90 90 ASP H H 303 8.056 8.037 0.019 2 1 900 . 1 1 A 90 90 ASP HA H 303 4.746 4.269 0.477 2 1 903 . 1 1 A 90 90 ASP C C 303 177.139 175.358 1.781 2 1 904 . 1 1 A 90 90 ASP CA C 303 54.411 55.091 -0.680 2 1 905 . 1 1 A 90 90 ASP CB C 303 40.987 39.320 1.667 2 1 906 . 1 1 A 90 90 ASP N N 303 117.873 118.271 -0.398 2 1 907 . 1 1 A 91 91 HIS H H 304 9.371 7.929 1.442 2 1 908 . 1 1 A 91 91 HIS HA H 304 4.657 4.612 0.045 2 1 912 . 1 1 A 91 91 HIS C C 304 177.332 174.989 2.343 2 1 913 . 1 1 A 91 91 HIS CA C 304 56.031 56.098 -0.067 2 1 914 . 1 1 A 91 91 HIS CB C 304 31.150 30.779 0.371 2 1 916 . 1 1 A 91 91 HIS N N 304 126.666 116.889 9.777 2 1 917 . 1 1 A 92 92 SER H H 305 8.952 8.670 0.282 2 1 918 . 1 1 A 92 92 SER HA H 305 4.055 4.447 -0.392 2 1 921 . 1 1 A 92 92 SER CA C 305 63.687 58.611 5.076 2 1 922 . 1 1 A 92 92 SER CB C 305 62.694 63.899 -1.205 2 1 923 . 1 1 A 92 92 SER N N 305 118.610 116.132 2.478 2 1 924 . 1 1 A 93 93 ASN H H 306 8.745 8.126 0.619 2 1 925 . 1 1 A 93 93 ASN HA H 306 4.803 4.774 0.029 2 1 928 . 1 1 A 93 93 ASN C C 306 173.428 175.167 -1.739 2 1 929 . 1 1 A 93 93 ASN CA C 306 53.018 53.457 -0.439 2 1 930 . 1 1 A 93 93 ASN CB C 306 38.033 39.465 -1.432 2 1 931 . 1 1 A 93 93 ASN N N 306 116.257 119.525 -3.268 2 1 932 . 1 1 A 94 94 MET H H 307 7.942 8.229 -0.287 2 1 933 . 1 1 A 94 94 MET HA H 307 4.683 4.516 0.167 2 1 939 . 1 1 A 94 94 MET C C 307 174.640 176.093 -1.453 2 1 940 . 1 1 A 94 94 MET CA C 307 53.564 54.923 -1.359 2 1 941 . 1 1 A 94 94 MET CB C 307 33.988 33.171 0.817 2 1 944 . 1 1 A 94 94 MET N N 307 117.799 119.918 -2.119 2 1 945 . 1 1 A 95 95 ASP H H 308 8.276 8.590 -0.314 2 1 946 . 1 1 A 95 95 ASP HA H 308 5.172 4.663 0.509 2 1 949 . 1 1 A 95 95 ASP C C 308 176.264 175.781 0.483 2 1 950 . 1 1 A 95 95 ASP CA C 308 55.617 54.988 0.629 2 1 951 . 1 1 A 95 95 ASP CB C 308 45.114 41.139 3.975 2 1 952 . 1 1 A 95 95 ASP N N 308 119.567 121.416 -1.849 2 1 953 . 1 1 A 96 96 CYS H H 309 8.215 7.650 0.565 2 1 954 . 1 1 A 96 96 CYS HA H 309 4.680 4.679 0.001 2 1 957 . 1 1 A 96 96 CYS C C 309 170.157 173.450 -3.293 2 1 958 . 1 1 A 96 96 CYS CA C 309 57.203 57.788 -0.585 2 1 959 . 1 1 A 96 96 CYS CB C 309 52.974 29.411 23.563 2 1 960 . 1 1 A 96 96 CYS N N 309 118.264 116.822 1.442 2 1 961 . 1 1 A 97 97 PHE H H 310 8.108 8.565 -0.457 2 1 962 . 1 1 A 97 97 PHE HA H 310 5.071 5.119 -0.048 2 1 967 . 1 1 A 97 97 PHE C C 310 171.279 173.417 -2.138 2 1 968 . 1 1 A 97 97 PHE CA C 310 57.910 57.098 0.812 2 1 969 . 1 1 A 97 97 PHE CB C 310 44.724 41.752 2.972 2 1 972 . 1 1 A 97 97 PHE N N 310 125.767 121.311 4.456 2 1 973 . 1 1 A 98 98 ILE H H 311 7.647 8.240 -0.593 2 1 974 . 1 1 A 98 98 ILE HA H 311 4.581 4.725 -0.144 2 1 984 . 1 1 A 98 98 ILE C C 311 172.012 174.657 -2.645 2 1 985 . 1 1 A 98 98 ILE CA C 311 58.312 59.988 -1.676 2 1 986 . 1 1 A 98 98 ILE CB C 311 39.964 41.177 -1.213 2 1 990 . 1 1 A 98 98 ILE N N 311 125.102 122.193 2.909 2 1 991 . 1 1 A 99 99 CYS H H 312 8.309 8.945 -0.636 2 1 992 . 1 1 A 99 99 CYS HA H 312 4.471 5.021 -0.550 2 1 993 . 1 1 A 99 99 CYS C C 312 171.965 173.202 -1.237 2 1 994 . 1 1 A 99 99 CYS CA C 312 56.347 57.319 -0.972 2 1 995 . 1 1 A 99 99 CYS CB C 312 51.093 28.414 22.679 2 1 996 . 1 1 A 99 99 CYS N N 312 124.548 125.596 -1.048 2 1 997 . 1 1 A 100 100 CYS H H 313 9.116 8.928 0.188 2 1 998 . 1 1 A 100 100 CYS HA H 313 5.880 4.934 0.946 2 1 1001 . 1 1 A 100 100 CYS C C 313 173.635 173.930 -0.295 2 1 1002 . 1 1 A 100 100 CYS CA C 313 55.906 57.913 -2.007 2 1 1003 . 1 1 A 100 100 CYS CB C 313 52.685 28.593 24.092 2 1 1004 . 1 1 A 100 100 CYS N N 313 127.015 125.922 1.093 2 1 1005 . 1 1 A 101 101 ILE H H 314 8.896 8.584 0.312 2 1 1006 . 1 1 A 101 101 ILE HA H 314 4.737 4.634 0.103 2 1 1016 . 1 1 A 101 101 ILE C C 314 172.277 175.938 -3.661 2 1 1017 . 1 1 A 101 101 ILE CA C 314 60.937 60.252 0.685 2 1 1018 . 1 1 A 101 101 ILE CB C 314 40.848 40.085 0.763 2 1 1022 . 1 1 A 101 101 ILE N N 314 121.994 125.446 -3.452 2 1 1023 . 1 1 A 102 102 LEU H H 315 8.951 8.606 0.345 2 1 1024 . 1 1 A 102 102 LEU HA H 315 5.285 4.380 0.905 2 1 1029 . 1 1 A 102 102 LEU C C 315 174.789 176.909 -2.120 2 1 1030 . 1 1 A 102 102 LEU CA C 315 52.489 56.209 -3.720 2 1 1031 . 1 1 A 102 102 LEU CB C 315 40.041 42.694 -2.653 2 1 1034 . 1 1 A 102 102 LEU N N 315 127.404 127.069 0.335 2 1 1035 . 1 1 A 103 103 SER H H 316 9.096 8.041 1.055 2 1 1036 . 1 1 A 103 103 SER HA H 316 4.680 4.529 0.151 2 1 1039 . 1 1 A 103 103 SER C C 316 174.555 173.873 0.682 2 1 1040 . 1 1 A 103 103 SER CA C 316 56.403 58.462 -2.059 2 1 1041 . 1 1 A 103 103 SER CB C 316 63.224 63.709 -0.485 2 1 1042 . 1 1 A 103 103 SER N N 316 113.273 114.159 -0.886 2 1 1043 . 1 1 A 104 104 HIS H H 317 7.515 8.432 -0.917 2 1 1044 . 1 1 A 104 104 HIS HA H 317 5.214 4.822 0.392 2 1 1048 . 1 1 A 104 104 HIS C C 317 175.667 175.381 0.286 2 1 1049 . 1 1 A 104 104 HIS CA C 317 56.371 55.678 0.693 2 1 1050 . 1 1 A 104 104 HIS CB C 317 34.676 31.049 3.627 2 1 1052 . 1 1 A 104 104 HIS N N 317 114.740 120.917 -6.177 2 1 1053 . 1 1 A 105 105 GLY H H 318 8.368 8.377 -0.009 2 1 1054 . 1 1 A 105 105 GLY C C 318 169.470 173.317 -3.847 2 1 1055 . 1 1 A 105 105 GLY CA C 318 45.558 45.630 -0.072 2 1 1056 . 1 1 A 105 105 GLY N N 318 107.330 110.420 -3.090 2 1 1057 . 1 1 A 106 106 ASP H H 319 7.943 8.407 -0.464 2 1 1058 . 1 1 A 106 106 ASP HA H 319 4.622 4.981 -0.359 2 1 1061 . 1 1 A 106 106 ASP C C 319 175.179 175.596 -0.417 2 1 1062 . 1 1 A 106 106 ASP CA C 319 53.188 53.526 -0.338 2 1 1063 . 1 1 A 106 106 ASP CB C 319 43.555 43.192 0.363 2 1 1064 . 1 1 A 106 106 ASP N N 319 116.893 120.037 -3.144 2 1 1065 . 1 1 A 107 107 LYS H H 320 9.376 8.408 0.968 2 1 1066 . 1 1 A 107 107 LYS HA H 320 3.956 4.375 -0.419 2 1 1075 . 1 1 A 107 107 LYS C C 320 176.864 177.316 -0.452 2 1 1076 . 1 1 A 107 107 LYS CA C 320 58.567 56.705 1.862 2 1 1077 . 1 1 A 107 107 LYS CB C 320 30.568 32.942 -2.374 2 1 1081 . 1 1 A 107 107 LYS N N 320 122.539 120.090 2.449 2 1 1082 . 1 1 A 108 108 GLY H H 321 9.025 8.161 0.864 2 1 1083 . 1 1 A 108 108 GLY C C 321 173.633 174.290 -0.657 2 1 1084 . 1 1 A 108 108 GLY CA C 321 45.491 45.564 -0.073 2 1 1085 . 1 1 A 108 108 GLY N N 321 111.919 108.488 3.431 2 1 1086 . 1 1 A 109 109 ILE H H 322 8.157 7.630 0.527 2 1 1087 . 1 1 A 109 109 ILE HA H 322 4.994 4.355 0.639 2 1 1097 . 1 1 A 109 109 ILE C C 322 174.524 175.563 -1.039 2 1 1098 . 1 1 A 109 109 ILE CA C 322 59.009 60.557 -1.548 2 1 1099 . 1 1 A 109 109 ILE CB C 322 43.375 39.575 3.800 2 1 1103 . 1 1 A 109 109 ILE N N 322 116.465 117.919 -1.454 2 1 1104 . 1 1 A 110 110 ILE H H 323 8.443 8.349 0.094 2 1 1105 . 1 1 A 110 110 ILE HA H 323 4.530 4.295 0.235 2 1 1115 . 1 1 A 110 110 ILE C C 323 174.337 175.441 -1.104 2 1 1116 . 1 1 A 110 110 ILE CA C 323 58.547 60.699 -2.152 2 1 1117 . 1 1 A 110 110 ILE CB C 323 41.604 39.165 2.439 2 1 1121 . 1 1 A 110 110 ILE N N 323 116.661 122.147 -5.486 2 1 1122 . 1 1 A 111 111 TYR H H 324 8.584 8.480 0.104 2 1 1123 . 1 1 A 111 111 TYR HA H 324 5.557 4.724 0.833 2 1 1128 . 1 1 A 111 111 TYR C C 324 178.528 175.696 2.832 2 1 1129 . 1 1 A 111 111 TYR CA C 324 56.571 57.844 -1.273 2 1 1130 . 1 1 A 111 111 TYR CB C 324 39.984 39.764 0.220 2 1 1133 . 1 1 A 111 111 TYR N N 324 119.472 125.065 -5.593 2 1 1134 . 1 1 A 112 112 GLY H H 325 8.522 8.530 -0.008 2 1 1135 . 1 1 A 112 112 GLY C C 325 174.755 174.068 0.687 2 1 1136 . 1 1 A 112 112 GLY CA C 325 43.145 45.873 -2.728 2 1 1137 . 1 1 A 112 112 GLY N N 325 107.078 109.227 -2.149 2 1 1138 . 1 1 A 113 113 THR H H 326 8.245 8.352 -0.107 2 1 1139 . 1 1 A 113 113 THR HA H 326 3.186 4.423 -1.237 2 1 1144 . 1 1 A 113 113 THR C C 326 173.264 175.073 -1.809 2 1 1145 . 1 1 A 113 113 THR CA C 326 64.857 63.200 1.657 2 1 1146 . 1 1 A 113 113 THR CB C 326 66.749 70.223 -3.474 2 1 1148 . 1 1 A 113 113 THR N N 326 113.146 115.599 -2.453 2 1 1149 . 1 1 A 114 114 ASP H H 327 8.801 8.469 0.332 2 1 1150 . 1 1 A 114 114 ASP HA H 327 4.099 4.579 -0.480 2 1 1153 . 1 1 A 114 114 ASP C C 327 176.262 177.813 -1.551 2 1 1154 . 1 1 A 114 114 ASP CA C 327 52.768 55.796 -3.028 2 1 1155 . 1 1 A 114 114 ASP CB C 327 39.312 41.291 -1.979 2 1 1156 . 1 1 A 114 114 ASP N N 327 112.026 121.074 -9.048 2 1 1157 . 1 1 A 115 115 GLY H H 328 8.462 7.992 0.470 2 1 1158 . 1 1 A 115 115 GLY HA2 H 328 4.010 3.942 0.068 2 1 1159 . 1 1 A 115 115 GLY HA3 H 328 4.010 3.965 0.045 2 1 1160 . 1 1 A 115 115 GLY C C 328 171.918 174.102 -2.184 2 1 1161 . 1 1 A 115 115 GLY CA C 328 45.463 46.174 -0.711 2 1 1162 . 1 1 A 115 115 GLY N N 328 107.749 107.092 0.657 2 1 1163 . 1 1 A 116 116 GLN H H 329 6.657 7.931 -1.274 2 1 1164 . 1 1 A 116 116 GLN HA H 329 4.441 4.655 -0.214 2 1 1170 . 1 1 A 116 116 GLN C C 329 174.196 174.961 -0.765 2 1 1171 . 1 1 A 116 116 GLN CA C 329 55.204 55.047 0.157 2 1 1172 . 1 1 A 116 116 GLN CB C 329 28.541 31.168 -2.627 2 1 1174 . 1 1 A 116 116 GLN N N 329 115.146 117.500 -2.354 2 1 1176 . 1 1 A 117 117 GLU H H 330 8.624 8.738 -0.114 2 1 1177 . 1 1 A 117 117 GLU HA H 330 4.733 4.727 0.006 2 1 1178 . 1 1 A 117 117 GLU C C 330 175.357 175.397 -0.040 2 1 1179 . 1 1 A 117 117 GLU CA C 330 55.191 55.534 -0.343 2 1 1180 . 1 1 A 117 117 GLU CB C 330 32.586 31.782 0.804 2 1 1182 . 1 1 A 117 117 GLU N N 330 119.031 120.391 -1.360 2 1 1183 . 1 1 A 118 118 ALA H H 331 8.995 8.139 0.856 2 1 1184 . 1 1 A 118 118 ALA HA H 331 5.165 4.689 0.476 2 1 1188 . 1 1 A 118 118 ALA C C 331 173.650 175.167 -1.517 2 1 1189 . 1 1 A 118 118 ALA CA C 331 48.343 51.147 -2.804 2 1 1190 . 1 1 A 118 118 ALA CB C 331 20.353 20.448 -0.095 2 1 1191 . 1 1 A 118 118 ALA N N 331 123.550 122.647 0.903 2 1 1192 . 1 1 A 119 119 PRO HA H 332 4.819 4.767 0.052 2 1 1193 . 1 1 A 119 119 PRO C C 332 177.819 177.713 0.106 2 1 1194 . 1 1 A 119 119 PRO CA C 332 62.007 62.654 -0.647 2 1 1195 . 1 1 A 119 119 PRO CB C 332 32.081 31.484 0.597 2 1 1197 . 1 1 A 120 120 ILE H H 333 8.574 8.776 -0.202 2 1 1198 . 1 1 A 120 120 ILE HA H 333 3.278 3.922 -0.644 2 1 1206 . 1 1 A 120 120 ILE C C 333 177.316 177.253 0.063 2 1 1207 . 1 1 A 120 120 ILE CA C 333 66.025 63.721 2.304 2 1 1208 . 1 1 A 120 120 ILE CB C 333 37.991 37.802 0.189 2 1 1212 . 1 1 A 120 120 ILE N N 333 126.740 124.909 1.831 2 1 1213 . 1 1 A 121 121 TYR H H 334 9.192 8.069 1.123 2 1 1214 . 1 1 A 121 121 TYR HA H 334 3.942 4.325 -0.383 2 1 1219 . 1 1 A 121 121 TYR C C 334 177.847 177.543 0.304 2 1 1220 . 1 1 A 121 121 TYR CA C 334 60.688 60.489 0.199 2 1 1221 . 1 1 A 121 121 TYR CB C 334 38.803 38.114 0.689 2 1 1224 . 1 1 A 121 121 TYR N N 334 117.479 121.101 -3.622 2 1 1225 . 1 1 A 122 122 GLU H H 335 7.178 8.191 -1.013 2 1 1226 . 1 1 A 122 122 GLU HA H 335 3.751 4.322 -0.571 2 1 1228 . 1 1 A 122 122 GLU C C 335 176.427 178.760 -2.333 2 1 1229 . 1 1 A 122 122 GLU CA C 335 58.378 58.122 0.256 2 1 1230 . 1 1 A 122 122 GLU CB C 335 29.477 30.281 -0.804 2 1 1232 . 1 1 A 122 122 GLU N N 335 115.885 120.405 -4.520 2 1 1233 . 1 1 A 123 123 LEU H H 336 7.440 7.900 -0.460 2 1 1234 . 1 1 A 123 123 LEU HA H 336 4.123 3.983 0.140 2 1 1244 . 1 1 A 123 123 LEU C C 336 177.925 179.055 -1.130 2 1 1245 . 1 1 A 123 123 LEU CA C 336 56.646 57.710 -1.064 2 1 1246 . 1 1 A 123 123 LEU CB C 336 40.661 42.125 -1.464 2 1 1250 . 1 1 A 123 123 LEU N N 336 115.934 120.182 -4.248 2 1 1251 . 1 1 A 124 124 THR H H 337 8.009 8.207 -0.198 2 1 1252 . 1 1 A 124 124 THR HA H 337 3.597 4.174 -0.577 2 1 1257 . 1 1 A 124 124 THR C C 337 177.568 176.131 1.437 2 1 1258 . 1 1 A 124 124 THR CA C 337 64.110 64.127 -0.017 2 1 1259 . 1 1 A 124 124 THR CB C 337 67.603 68.659 -1.056 2 1 1261 . 1 1 A 124 124 THR N N 337 107.827 110.119 -2.292 2 1 1262 . 1 1 A 125 125 SER H H 338 7.435 8.005 -0.570 2 1 1263 . 1 1 A 125 125 SER HA H 338 3.723 4.362 -0.639 2 1 1266 . 1 1 A 125 125 SER C C 338 174.040 175.720 -1.680 2 1 1267 . 1 1 A 125 125 SER CA C 338 60.514 60.051 0.462 2 1 1268 . 1 1 A 125 125 SER CB C 338 62.391 63.151 -0.760 2 1 1269 . 1 1 A 125 125 SER N N 338 112.670 117.192 -4.522 2 1 1270 . 1 1 A 126 126 GLN H H 339 7.071 7.844 -0.773 2 1 1271 . 1 1 A 126 126 GLN HA H 339 3.850 4.177 -0.327 2 1 1276 . 1 1 A 126 126 GLN C C 339 173.915 176.964 -3.049 2 1 1277 . 1 1 A 126 126 GLN CA C 339 56.106 57.079 -0.973 2 1 1278 . 1 1 A 126 126 GLN CB C 339 27.028 28.453 -1.425 2 1 1280 . 1 1 A 126 126 GLN N N 339 117.347 119.345 -1.998 2 1 1281 . 1 1 A 127 127 PHE H H 340 7.355 7.833 -0.478 2 1 1282 . 1 1 A 127 127 PHE HA H 340 4.515 4.627 -0.112 2 1 1285 . 1 1 A 127 127 PHE C C 340 175.241 175.817 -0.576 2 1 1286 . 1 1 A 127 127 PHE CA C 340 57.914 57.893 0.021 2 1 1287 . 1 1 A 127 127 PHE CB C 340 38.496 38.807 -0.311 2 1 1288 . 1 1 A 127 127 PHE N N 340 110.412 115.934 -5.522 2 1 1289 . 1 1 A 128 128 THR H H 341 6.785 7.325 -0.540 2 1 1290 . 1 1 A 128 128 THR HA H 341 4.294 4.105 0.189 2 1 1295 . 1 1 A 128 128 THR C C 341 174.727 176.250 -1.523 2 1 1296 . 1 1 A 128 128 THR CA C 341 62.016 63.676 -1.660 2 1 1297 . 1 1 A 128 128 THR CB C 341 69.757 69.329 0.428 2 1 1299 . 1 1 A 128 128 THR N N 341 107.455 115.367 -7.912 2 1 1300 . 1 1 A 129 129 GLY H H 342 10.506 8.788 1.718 2 1 1301 . 1 1 A 129 129 GLY HA2 H 342 3.841 3.850 -0.009 2 1 1302 . 1 1 A 129 129 GLY HA3 H 342 3.648 3.864 -0.216 2 1 1303 . 1 1 A 129 129 GLY C C 342 175.631 174.750 0.881 2 1 1304 . 1 1 A 129 129 GLY CA C 342 47.056 46.737 0.319 2 1 1305 . 1 1 A 129 129 GLY N N 342 111.023 113.939 -2.916 2 1 1306 . 1 1 A 130 130 LEU H H 343 8.003 7.882 0.121 2 1 1307 . 1 1 A 130 130 LEU HA H 343 4.135 4.361 -0.226 2 1 1317 . 1 1 A 130 130 LEU C C 343 178.627 177.464 1.163 2 1 1318 . 1 1 A 130 130 LEU CA C 343 56.606 55.271 1.335 2 1 1319 . 1 1 A 130 130 LEU CB C 343 42.399 42.158 0.241 2 1 1323 . 1 1 A 130 130 LEU N N 343 116.983 120.035 -3.052 2 1 1324 . 1 1 A 131 131 LYS H H 344 6.961 7.984 -1.023 2 1 1325 . 1 1 A 131 131 LYS HA H 344 4.001 4.435 -0.434 2 1 1333 . 1 1 A 131 131 LYS C C 344 176.224 176.792 -0.568 2 1 1334 . 1 1 A 131 131 LYS CA C 344 57.534 56.509 1.025 2 1 1335 . 1 1 A 131 131 LYS CB C 344 33.404 34.929 -1.525 2 1 1339 . 1 1 A 131 131 LYS N N 344 116.907 116.134 0.773 2 1 1340 . 1 1 A 132 132 CYS H H 345 8.564 8.187 0.377 2 1 1341 . 1 1 A 132 132 CYS HA H 345 4.930 4.818 0.112 2 1 1344 . 1 1 A 132 132 CYS C C 345 172.261 172.956 -0.695 2 1 1345 . 1 1 A 132 132 CYS CA C 345 56.566 56.965 -0.399 2 1 1346 . 1 1 A 132 132 CYS CB C 345 49.011 28.292 20.719 2 1 1347 . 1 1 A 132 132 CYS N N 345 117.718 116.724 0.994 2 1 1348 . 1 1 A 133 133 PRO HA H 346 4.719 4.504 0.215 2 1 1354 . 1 1 A 133 133 PRO C C 346 179.500 177.299 2.201 2 1 1355 . 1 1 A 133 133 PRO CA C 346 62.681 63.957 -1.276 2 1 1356 . 1 1 A 133 133 PRO CB C 346 34.366 31.093 3.273 2 1 1359 . 1 1 A 134 134 SER H H 347 8.896 8.373 0.523 2 1 1360 . 1 1 A 134 134 SER HA H 347 4.415 4.372 0.043 2 1 1363 . 1 1 A 134 134 SER C C 347 174.434 175.253 -0.819 2 1 1364 . 1 1 A 134 134 SER CA C 347 60.509 60.162 0.347 2 1 1365 . 1 1 A 134 134 SER CB C 347 62.207 62.805 -0.598 2 1 1366 . 1 1 A 134 134 SER N N 347 112.882 115.137 -2.255 2 1 1367 . 1 1 A 135 135 LEU H H 348 7.549 8.022 -0.473 2 1 1368 . 1 1 A 135 135 LEU HA H 348 4.466 4.313 0.153 2 1 1378 . 1 1 A 135 135 LEU C C 348 176.458 177.449 -0.991 2 1 1379 . 1 1 A 135 135 LEU CA C 348 53.787 55.487 -1.700 2 1 1380 . 1 1 A 135 135 LEU CB C 348 44.189 41.452 2.737 2 1 1384 . 1 1 A 135 135 LEU N N 348 118.501 119.195 -0.694 2 1 1385 . 1 1 A 136 136 ALA H H 349 7.776 7.981 -0.205 2 1 1386 . 1 1 A 136 136 ALA HA H 349 4.056 4.190 -0.134 2 1 1390 . 1 1 A 136 136 ALA C C 349 178.620 179.480 -0.860 2 1 1391 . 1 1 A 136 136 ALA CA C 349 54.406 54.422 -0.016 2 1 1392 . 1 1 A 136 136 ALA CB C 349 17.934 18.710 -0.776 2 1 1393 . 1 1 A 136 136 ALA N N 349 125.801 122.073 3.728 2 1 1394 . 1 1 A 137 137 GLY H H 350 9.371 8.289 1.082 2 1 1395 . 1 1 A 137 137 GLY C C 350 173.026 174.079 -1.053 2 1 1396 . 1 1 A 137 137 GLY CA C 350 45.132 45.759 -0.627 2 1 1397 . 1 1 A 137 137 GLY N N 350 111.181 106.021 5.160 2 1 1398 . 1 1 A 138 138 LYS H H 351 8.038 7.556 0.482 2 1 1399 . 1 1 A 138 138 LYS HA H 351 4.660 4.652 0.008 2 1 1400 . 1 1 A 138 138 LYS C C 351 172.078 174.594 -2.516 2 1 1401 . 1 1 A 138 138 LYS CA C 351 52.728 53.987 -1.260 2 1 1402 . 1 1 A 138 138 LYS CB C 351 32.069 33.136 -1.067 2 1 1404 . 1 1 A 138 138 LYS N N 351 119.821 119.395 0.426 2 1 1405 . 1 1 A 139 139 PRO HA H 352 4.300 4.711 -0.411 2 1 1412 . 1 1 A 139 139 PRO C C 352 173.954 175.896 -1.942 2 1 1413 . 1 1 A 139 139 PRO CA C 352 62.595 62.608 -0.013 2 1 1414 . 1 1 A 139 139 PRO CB C 352 31.399 32.824 -1.425 2 1 1417 . 1 1 A 140 140 LYS H H 353 8.188 8.649 -0.461 2 1 1418 . 1 1 A 140 140 LYS HA H 353 4.610 5.004 -0.394 2 1 1419 . 1 1 A 140 140 LYS C C 353 173.494 174.681 -1.187 2 1 1420 . 1 1 A 140 140 LYS CA C 353 55.344 54.852 0.492 2 1 1421 . 1 1 A 140 140 LYS CB C 353 32.527 36.643 -4.116 2 1 1423 . 1 1 A 140 140 LYS N N 353 123.304 118.935 4.369 2 1 1424 . 1 1 A 141 141 VAL H H 354 8.344 8.376 -0.032 2 1 1425 . 1 1 A 141 141 VAL HA H 354 4.533 4.896 -0.363 2 1 1433 . 1 1 A 141 141 VAL C C 354 172.277 174.325 -2.048 2 1 1434 . 1 1 A 141 141 VAL CA C 354 60.596 60.647 -0.051 2 1 1435 . 1 1 A 141 141 VAL CB C 354 33.580 34.814 -1.234 2 1 1438 . 1 1 A 141 141 VAL N N 354 122.550 121.530 1.020 2 1 1439 . 1 1 A 142 142 PHE H H 355 8.985 8.663 0.322 2 1 1440 . 1 1 A 142 142 PHE HA H 355 5.436 5.168 0.268 2 1 1441 . 1 1 A 142 142 PHE C C 355 173.666 173.533 0.133 2 1 1442 . 1 1 A 142 142 PHE CA C 355 54.968 55.846 -0.878 2 1 1443 . 1 1 A 142 142 PHE CB C 355 42.877 41.559 1.318 2 1 1444 . 1 1 A 142 142 PHE N N 355 123.850 124.800 -0.950 2 1 1445 . 1 1 A 143 143 PHE H H 356 8.584 8.733 -0.149 2 1 1446 . 1 1 A 143 143 PHE HA H 356 5.934 4.969 0.965 2 1 1449 . 1 1 A 143 143 PHE C C 356 174.526 175.256 -0.730 2 1 1450 . 1 1 A 143 143 PHE CA C 356 55.909 57.220 -1.311 2 1 1451 . 1 1 A 143 143 PHE CB C 356 39.923 40.304 -0.381 2 1 1454 . 1 1 A 143 143 PHE N N 356 119.801 123.301 -3.500 2 1 1455 . 1 1 A 144 144 ILE H H 357 9.020 8.841 0.179 2 1 1456 . 1 1 A 144 144 ILE HA H 357 5.040 4.641 0.399 2 1 1466 . 1 1 A 144 144 ILE C C 357 173.323 175.026 -1.703 2 1 1467 . 1 1 A 144 144 ILE CA C 357 59.479 60.686 -1.207 2 1 1468 . 1 1 A 144 144 ILE CB C 357 40.898 40.515 0.383 2 1 1472 . 1 1 A 144 144 ILE N N 357 121.194 123.638 -2.444 2 1 1473 . 1 1 A 145 145 GLN H H 358 8.856 8.658 0.198 2 1 1474 . 1 1 A 145 145 GLN HA H 358 4.670 4.701 -0.031 2 1 1475 . 1 1 A 145 145 GLN C C 358 171.591 175.387 -3.796 2 1 1476 . 1 1 A 145 145 GLN CA C 358 53.648 55.073 -1.425 2 1 1477 . 1 1 A 145 145 GLN CB C 358 30.373 29.350 1.023 2 1 1479 . 1 1 A 145 145 GLN N N 358 128.880 126.608 2.272 2 1 1480 . 1 1 A 146 146 ALA H H 359 8.418 8.444 -0.026 2 1 1481 . 1 1 A 146 146 ALA HA H 359 5.247 4.659 0.588 2 1 1485 . 1 1 A 146 146 ALA C C 359 175.319 176.942 -1.623 2 1 1486 . 1 1 A 146 146 ALA CA C 359 50.243 51.655 -1.412 2 1 1487 . 1 1 A 146 146 ALA CB C 359 18.786 20.181 -1.395 2 1 1488 . 1 1 A 146 146 ALA N N 359 128.349 126.142 2.207 2 1 1489 . 1 1 A 147 147 ALA H H 360 8.161 8.309 -0.148 2 1 1490 . 1 1 A 147 147 ALA HA H 360 4.343 4.430 -0.087 2 1 1494 . 1 1 A 147 147 ALA C C 360 177.238 176.932 0.306 2 1 1495 . 1 1 A 147 147 ALA CA C 360 52.078 52.113 -0.035 2 1 1496 . 1 1 A 147 147 ALA CB C 360 20.003 20.372 -0.370 2 1 1497 . 1 1 A 147 147 ALA N N 360 123.005 122.987 0.018 2 1 1498 . 1 1 A 148 148 GLN H H 361 8.461 8.363 0.098 2 1 1499 . 1 1 A 148 148 GLN HA H 361 4.663 4.555 0.108 2 1 1504 . 1 1 A 148 148 GLN C C 361 176.333 175.624 0.709 2 1 1505 . 1 1 A 148 148 GLN CA C 361 55.760 55.817 -0.057 2 1 1506 . 1 1 A 148 148 GLN CB C 361 29.937 30.451 -0.514 2 1 1508 . 1 1 A 148 148 GLN N N 361 120.296 117.797 2.499 2 1 1509 . 1 1 A 149 149 GLY H H 362 8.631 8.368 0.263 2 1 1510 . 1 1 A 149 149 GLY HA2 H 362 3.858 3.962 -0.104 2 1 1511 . 1 1 A 149 149 GLY HA3 H 362 3.858 4.048 -0.190 2 1 1512 . 1 1 A 149 149 GLY C C 362 172.022 173.292 -1.270 2 1 1513 . 1 1 A 149 149 GLY CA C 362 44.969 45.791 -0.822 2 1 1514 . 1 1 A 149 149 GLY N N 362 109.782 109.443 0.339 2 1 1515 . 1 1 A 150 150 ASP H H 363 7.566 8.322 -0.756 2 1 1516 . 1 1 A 150 150 ASP HA H 363 4.661 4.915 -0.254 2 1 1519 . 1 1 A 150 150 ASP C C 363 174.446 175.594 -1.148 2 1 1520 . 1 1 A 150 150 ASP CA C 363 57.776 53.692 4.084 2 1 1521 . 1 1 A 150 150 ASP CB C 363 39.423 42.529 -3.106 2 1 1522 . 1 1 A 150 150 ASP N N 363 118.182 121.059 -2.877 2 1 1523 . 1 1 A 153 153 GLN HA H 366 4.665 4.472 0.193 2 1 1530 . 1 1 A 153 153 GLN CA C 366 53.779 55.801 -2.022 2 1 1531 . 1 1 A 153 153 GLN CB C 366 28.988 30.399 -1.411 2 1 1534 . 1 1 A 155 155 GLY HA2 H 368 3.899 4.020 -0.121 2 1 1535 . 1 1 A 155 155 GLY HA3 H 368 3.899 4.053 -0.154 2 1 1536 . 1 1 A 155 155 GLY CA C 368 45.013 45.364 -0.351 2 1 1537 . 1 1 A 156 156 ILE H H 369 7.871 8.242 -0.371 2 1 1538 . 1 1 A 156 156 ILE HA H 369 4.428 4.745 -0.317 2 1 1548 . 1 1 A 156 156 ILE C C 369 174.196 175.621 -1.425 2 1 1549 . 1 1 A 156 156 ILE CA C 369 58.676 57.590 1.086 2 1 1550 . 1 1 A 156 156 ILE CB C 369 38.516 39.772 -1.256 2 1 1554 . 1 1 A 156 156 ILE N N 369 120.958 117.951 3.007 2 1 1555 . 1 1 A 157 157 PRO HA H 370 4.386 4.544 -0.158 2 1 1562 . 1 1 A 157 157 PRO C C 370 176.218 176.633 -0.415 2 1 1563 . 1 1 A 157 157 PRO CA C 370 63.431 64.147 -0.716 2 1 1564 . 1 1 A 157 157 PRO CB C 370 31.913 31.931 -0.018 2 1 1567 . 1 1 A 158 158 VAL H H 371 8.137 7.682 0.455 2 1 1568 . 1 1 A 158 158 VAL HA H 371 4.089 4.082 0.007 2 1 1576 . 1 1 A 158 158 VAL C C 371 175.904 175.810 0.094 2 1 1577 . 1 1 A 158 158 VAL CA C 371 62.121 61.279 0.842 2 1 1578 . 1 1 A 158 158 VAL CB C 371 32.958 32.586 0.372 2 1 1581 . 1 1 A 158 158 VAL N N 371 119.640 115.574 4.066 2 1 1582 . 1 1 A 159 159 GLU H H 372 8.523 8.643 -0.120 2 1 1583 . 1 1 A 159 159 GLU HA H 372 4.345 4.675 -0.330 2 1 1588 . 1 1 A 159 159 GLU C C 372 176.068 175.747 0.321 2 1 1589 . 1 1 A 159 159 GLU CA C 372 56.474 55.675 0.799 2 1 1590 . 1 1 A 159 159 GLU CB C 372 30.078 31.964 -1.886 2 1 1592 . 1 1 A 159 159 GLU N N 372 123.765 121.485 2.280 2 1 1593 . 1 1 A 160 160 THR H H 373 8.096 8.309 -0.213 2 1 1594 . 1 1 A 160 160 THR HA H 373 4.311 4.592 -0.281 2 1 1599 . 1 1 A 160 160 THR C C 373 173.701 173.916 -0.215 2 1 1600 . 1 1 A 160 160 THR CA C 373 61.845 61.312 0.533 2 1 1601 . 1 1 A 160 160 THR CB C 373 69.760 70.003 -0.243 2 1 1603 . 1 1 A 160 160 THR N N 373 114.143 113.530 0.613 2 1 1604 . 1 1 A 161 161 ASP H H 374 8.387 8.750 -0.363 2 1 1605 . 1 1 A 161 161 ASP HA H 374 4.625 4.738 -0.113 2 1 1608 . 1 1 A 161 161 ASP C C 374 175.806 176.186 -0.380 2 1 1609 . 1 1 A 161 161 ASP CA C 374 54.478 54.915 -0.437 2 1 1610 . 1 1 A 161 161 ASP CB C 374 41.096 42.136 -1.040 2 1 1611 . 1 1 A 161 161 ASP N N 374 122.070 124.657 -2.587 2 1 1612 . 1 1 A 162 162 SER H H 375 8.175 8.248 -0.073 2 1 1613 . 1 1 A 162 162 SER HA H 375 4.385 4.362 0.023 2 1 1616 . 1 1 A 162 162 SER C C 375 174.169 173.829 0.340 2 1 1617 . 1 1 A 162 162 SER CA C 375 58.631 58.542 0.089 2 1 1618 . 1 1 A 162 162 SER CB C 375 63.814 62.446 1.368 2 1 1619 . 1 1 A 162 162 SER N N 375 115.346 115.187 0.159 2 1 1620 . 1 1 A 163 163 GLU H H 376 8.424 8.175 0.249 2 1 1621 . 1 1 A 163 163 GLU HA H 376 4.263 4.552 -0.289 2 1 1626 . 1 1 A 163 163 GLU C C 376 175.959 176.390 -0.431 2 1 1627 . 1 1 A 163 163 GLU CA C 376 56.567 55.871 0.696 2 1 1628 . 1 1 A 163 163 GLU CB C 376 30.044 30.640 -0.596 2 1 1630 . 1 1 A 163 163 GLU N N 376 122.034 121.740 0.294 2 1 1631 . 1 1 A 164 164 GLU H H 377 8.298 8.558 -0.260 2 1 1632 . 1 1 A 164 164 GLU HA H 377 4.224 4.271 -0.047 2 1 1637 . 1 1 A 164 164 GLU C C 377 175.816 177.864 -2.048 2 1 1638 . 1 1 A 164 164 GLU CA C 377 56.489 57.158 -0.669 2 1 1639 . 1 1 A 164 164 GLU CB C 377 30.220 30.507 -0.287 2 1 1641 . 1 1 A 164 164 GLU N N 377 120.980 123.050 -2.070 2 1 1642 . 1 1 A 165 165 GLN H H 378 8.340 8.387 -0.047 2 1 1643 . 1 1 A 165 165 GLN HA H 378 4.563 4.181 0.382 2 1 1645 . 1 1 A 165 165 GLN C C 378 173.510 176.359 -2.849 2 1 1646 . 1 1 A 165 165 GLN CA C 378 53.530 59.543 -6.013 2 1 1647 . 1 1 A 165 165 GLN CB C 378 28.816 28.646 0.170 2 1 1649 . 1 1 A 165 165 GLN N N 378 121.693 120.416 1.277 2 1 1650 . 1 1 A 166 166 PRO HA H 379 4.381 4.696 -0.315 2 1 1657 . 1 1 A 166 166 PRO C C 379 176.081 176.077 0.004 2 1 1658 . 1 1 A 166 166 PRO CA C 379 63.260 62.591 0.669 2 1 1659 . 1 1 A 166 166 PRO CB C 379 32.010 29.788 2.222 2 1 1662 . 1 1 A 167 167 TYR H H 380 8.116 8.538 -0.422 2 1 1663 . 1 1 A 167 167 TYR HA H 380 4.513 4.706 -0.193 2 1 1668 . 1 1 A 167 167 TYR C C 380 174.992 175.080 -0.088 2 1 1669 . 1 1 A 167 167 TYR CA C 380 57.699 57.585 0.114 2 1 1670 . 1 1 A 167 167 TYR CB C 380 38.344 39.857 -1.513 2 1 1673 . 1 1 A 167 167 TYR N N 380 119.531 119.498 0.033 2 1 1674 . 1 1 A 168 168 LEU H H 381 7.953 8.354 -0.401 2 1 1675 . 1 1 A 168 168 LEU HA H 381 4.267 4.772 -0.505 2 1 1685 . 1 1 A 168 168 LEU C C 381 176.162 175.829 0.333 2 1 1686 . 1 1 A 168 168 LEU CA C 381 54.808 53.487 1.321 2 1 1687 . 1 1 A 168 168 LEU CB C 381 42.735 44.090 -1.355 2 1 1691 . 1 1 A 168 168 LEU N N 381 124.133 119.354 4.779 2 1 1692 . 1 1 A 169 169 GLU H H 382 8.190 8.578 -0.388 2 1 1693 . 1 1 A 169 169 GLU HA H 382 4.167 4.653 -0.486 2 1 1698 . 1 1 A 169 169 GLU C C 382 175.881 175.643 0.238 2 1 1699 . 1 1 A 169 169 GLU CA C 382 56.655 55.311 1.344 2 1 1700 . 1 1 A 169 169 GLU CB C 382 30.058 31.907 -1.849 2 1 1702 . 1 1 A 169 169 GLU N N 382 121.131 120.401 0.730 2 1 1703 . 1 1 A 170 170 MET H H 383 8.214 8.479 -0.265 2 1 1704 . 1 1 A 170 170 MET HA H 383 4.377 4.840 -0.463 2 1 1709 . 1 1 A 170 170 MET C C 383 175.132 174.879 0.253 2 1 1710 . 1 1 A 170 170 MET CA C 383 55.606 54.971 0.635 2 1 1711 . 1 1 A 170 170 MET CB C 383 33.091 34.991 -1.900 2 1 1713 . 1 1 A 170 170 MET N N 383 120.601 119.838 0.763 2 1 1714 . 1 1 A 171 171 ASP H H 384 8.358 8.585 -0.227 2 1 1715 . 1 1 A 171 171 ASP HA H 384 4.575 5.037 -0.462 2 1 1718 . 1 1 A 171 171 ASP C C 384 175.966 175.209 0.757 2 1 1719 . 1 1 A 171 171 ASP CA C 384 53.741 53.188 0.553 2 1 1720 . 1 1 A 171 171 ASP CB C 384 40.571 43.482 -2.911 2 1 1721 . 1 1 A 171 171 ASP N N 384 121.104 119.899 1.205 2 1 1722 . 1 1 A 172 172 LEU H H 385 8.285 8.489 -0.204 2 1 1723 . 1 1 A 172 172 LEU HA H 385 4.305 4.706 -0.401 2 1 1733 . 1 1 A 172 172 LEU C C 385 177.140 176.386 0.754 2 1 1734 . 1 1 A 172 172 LEU CA C 385 55.122 54.123 0.999 2 1 1735 . 1 1 A 172 172 LEU CB C 385 41.851 43.946 -2.095 2 1 1739 . 1 1 A 172 172 LEU N N 385 123.115 119.399 3.716 2 1 1740 . 1 1 A 173 173 SER H H 386 8.290 8.716 -0.426 2 1 1741 . 1 1 A 173 173 SER N N 386 115.101 116.581 -1.479 2 1 1742 . 1 1 A 176 176 GLN HA H 389 4.383 4.452 -0.069 2 1 1749 . 1 1 A 176 176 GLN CA C 389 55.991 55.982 0.009 2 1 1750 . 1 1 A 176 176 GLN CB C 389 29.280 29.984 -0.704 2 1 1753 . 1 1 A 177 177 THR H H 390 6.958 8.294 -1.336 2 1 1754 . 1 1 A 177 177 THR HA H 390 3.970 4.696 -0.726 2 1 1759 . 1 1 A 177 177 THR C C 390 172.764 173.730 -0.966 2 1 1760 . 1 1 A 177 177 THR CA C 390 62.221 61.326 0.895 2 1 1761 . 1 1 A 177 177 THR CB C 390 69.382 70.736 -1.354 2 1 1763 . 1 1 A 177 177 THR N N 390 115.463 115.761 -0.298 2 1 1764 . 1 1 A 178 178 ARG H H 391 7.873 8.541 -0.668 2 1 1765 . 1 1 A 178 178 ARG C C 391 174.982 174.964 0.018 2 1 1766 . 1 1 A 178 178 ARG CA C 391 55.266 55.293 -0.027 2 1 1767 . 1 1 A 178 178 ARG CB C 391 31.052 31.907 -0.855 2 1 1769 . 1 1 A 178 178 ARG N N 391 122.116 123.265 -1.149 2 1 1770 . 1 1 A 179 179 TYR H H 392 8.812 8.743 0.069 2 1 1771 . 1 1 A 179 179 TYR HA H 392 4.621 5.105 -0.484 2 1 1776 . 1 1 A 179 179 TYR C C 392 174.337 174.496 -0.159 2 1 1777 . 1 1 A 179 179 TYR CA C 392 57.444 57.300 0.144 2 1 1778 . 1 1 A 179 179 TYR CB C 392 40.623 40.222 0.401 2 1 1781 . 1 1 A 179 179 TYR N N 392 118.296 121.736 -3.440 2 1 1782 . 1 1 A 180 180 ILE H H 393 7.254 8.386 -1.132 2 1 1783 . 1 1 A 180 180 ILE HA H 393 4.610 4.463 0.147 2 1 1793 . 1 1 A 180 180 ILE C C 393 171.654 174.309 -2.655 2 1 1794 . 1 1 A 180 180 ILE CA C 393 56.916 58.047 -1.131 2 1 1795 . 1 1 A 180 180 ILE CB C 393 39.736 39.741 -0.005 2 1 1799 . 1 1 A 180 180 ILE N N 393 108.609 124.079 -15.470 2 1 1800 . 1 1 A 181 181 PRO HA H 394 4.709 4.603 0.106 2 1 1807 . 1 1 A 181 181 PRO C C 394 173.910 176.639 -2.729 2 1 1808 . 1 1 A 181 181 PRO CA C 394 62.144 63.139 -0.995 2 1 1809 . 1 1 A 181 181 PRO CB C 394 32.527 32.515 0.012 2 1 1812 . 1 1 A 182 182 ASP H H 395 8.296 8.529 -0.233 2 1 1813 . 1 1 A 182 182 ASP HA H 395 4.665 4.625 0.040 2 1 1816 . 1 1 A 182 182 ASP C C 395 175.120 175.562 -0.442 2 1 1817 . 1 1 A 182 182 ASP CA C 395 52.455 54.289 -1.834 2 1 1818 . 1 1 A 182 182 ASP CB C 395 38.742 40.575 -1.833 2 1 1819 . 1 1 A 182 182 ASP N N 395 120.042 119.873 0.169 2 1 1820 . 1 1 A 183 183 GLU H H 396 7.651 7.856 -0.205 2 1 1821 . 1 1 A 183 183 GLU HA H 396 4.492 4.557 -0.065 2 1 1826 . 1 1 A 183 183 GLU C C 396 173.702 175.783 -2.081 2 1 1827 . 1 1 A 183 183 GLU CA C 396 54.897 55.756 -0.859 2 1 1828 . 1 1 A 183 183 GLU CB C 396 32.509 31.300 1.209 2 1 1830 . 1 1 A 183 183 GLU N N 396 117.840 118.939 -1.099 2 1 1831 . 1 1 A 184 184 ALA H H 397 8.365 8.581 -0.216 2 1 1832 . 1 1 A 184 184 ALA HA H 397 4.394 4.760 -0.366 2 1 1836 . 1 1 A 184 184 ALA C C 397 175.829 176.729 -0.900 2 1 1837 . 1 1 A 184 184 ALA CA C 397 52.770 51.231 1.539 2 1 1838 . 1 1 A 184 184 ALA CB C 397 20.682 20.933 -0.251 2 1 1839 . 1 1 A 184 184 ALA N N 397 121.613 123.575 -1.962 2 1 1840 . 1 1 A 185 185 ASP H H 398 7.245 8.571 -1.326 2 1 1841 . 1 1 A 185 185 ASP HA H 398 4.092 4.459 -0.367 2 1 1844 . 1 1 A 185 185 ASP C C 398 172.730 174.763 -2.034 2 1 1845 . 1 1 A 185 185 ASP CA C 398 56.144 54.567 1.577 2 1 1846 . 1 1 A 185 185 ASP CB C 398 39.841 40.562 -0.721 2 1 1847 . 1 1 A 185 185 ASP N N 398 105.829 117.414 -11.585 2 1 1848 . 1 1 A 186 186 PHE H H 399 8.467 7.447 1.020 2 1 1849 . 1 1 A 186 186 PHE HA H 399 5.486 5.138 0.348 2 1 1852 . 1 1 A 186 186 PHE C C 399 176.218 173.525 2.693 2 1 1853 . 1 1 A 186 186 PHE CA C 399 57.959 56.493 1.466 2 1 1854 . 1 1 A 186 186 PHE CB C 399 44.529 42.723 1.806 2 1 1855 . 1 1 A 186 186 PHE N N 399 116.177 117.527 -1.350 2 1 1856 . 1 1 A 187 187 LEU H H 400 8.964 8.799 0.165 2 1 1857 . 1 1 A 187 187 LEU HA H 400 4.963 4.992 -0.029 2 1 1867 . 1 1 A 187 187 LEU C C 400 171.747 174.849 -3.102 2 1 1868 . 1 1 A 187 187 LEU CA C 400 55.422 53.761 1.661 2 1 1869 . 1 1 A 187 187 LEU CB C 400 45.641 44.874 0.767 2 1 1873 . 1 1 A 187 187 LEU N N 400 121.383 123.860 -2.477 2 1 1874 . 1 1 A 188 188 LEU H H 401 9.312 8.710 0.602 2 1 1875 . 1 1 A 188 188 LEU HA H 401 5.580 4.764 0.816 2 1 1885 . 1 1 A 188 188 LEU C C 401 173.853 176.563 -2.710 2 1 1886 . 1 1 A 188 188 LEU CA C 401 53.421 53.572 -0.151 2 1 1887 . 1 1 A 188 188 LEU CB C 401 45.403 44.452 0.951 2 1 1891 . 1 1 A 188 188 LEU N N 401 128.151 126.925 1.226 2 1 1892 . 1 1 A 189 189 GLY H H 402 9.415 8.709 0.706 2 1 1893 . 1 1 A 189 189 GLY HA2 H 402 4.670 3.999 0.671 2 1 1894 . 1 1 A 189 189 GLY HA3 H 402 3.663 4.096 -0.433 2 1 1895 . 1 1 A 189 189 GLY C C 402 171.014 174.068 -3.054 2 1 1896 . 1 1 A 189 189 GLY CA C 402 44.967 46.111 -1.144 2 1 1897 . 1 1 A 189 189 GLY N N 402 115.881 112.861 3.020 2 1 1898 . 1 1 A 190 190 MET H H 403 8.118 7.896 0.222 2 1 1899 . 1 1 A 190 190 MET HA H 403 5.314 4.669 0.645 2 1 1907 . 1 1 A 190 190 MET C C 403 173.744 175.621 -1.878 2 1 1908 . 1 1 A 190 190 MET CA C 403 53.284 55.337 -2.053 2 1 1909 . 1 1 A 190 190 MET CB C 403 36.614 33.607 3.007 2 1 1912 . 1 1 A 190 190 MET N N 403 122.165 120.609 1.556 2 1 1934 . 1 1 A 203 203 ALA H H 416 8.076 8.308 -0.232 2 1 1935 . 1 1 A 203 203 ALA HA H 416 4.228 4.497 -0.269 2 1 1939 . 1 1 A 203 203 ALA C C 416 176.895 177.227 -0.332 2 1 1940 . 1 1 A 203 203 ALA CA C 416 52.743 51.722 1.021 2 1 1941 . 1 1 A 203 203 ALA CB C 416 18.723 19.968 -1.245 2 1 1942 . 1 1 A 203 203 ALA N N 416 119.053 124.106 -5.053 2 1 1943 . 1 1 A 204 204 GLU H H 417 7.784 8.532 -0.748 2 1 1944 . 1 1 A 204 204 GLU HA H 417 4.350 4.468 -0.118 2 1 1949 . 1 1 A 204 204 GLU C C 417 175.678 176.440 -0.762 2 1 1950 . 1 1 A 204 204 GLU CA C 417 55.650 56.302 -0.652 2 1 1951 . 1 1 A 204 204 GLU CB C 417 30.312 30.090 0.222 2 1 1953 . 1 1 A 204 204 GLU N N 417 116.458 118.584 -2.126 2 1 1954 . 1 1 A 205 205 GLY H H 418 7.910 8.139 -0.229 2 1 1955 . 1 1 A 205 205 GLY CA C 418 43.804 45.191 -1.387 2 1 1956 . 1 1 A 205 205 GLY N N 418 108.024 109.362 -1.338 2 1 1957 . 1 1 A 206 206 THR H H 419 8.364 8.332 0.032 2 1 1958 . 1 1 A 206 206 THR HA H 419 4.316 4.776 -0.460 2 1 1963 . 1 1 A 206 206 THR CA C 419 64.682 60.641 4.041 2 1 1964 . 1 1 A 206 206 THR CB C 419 69.304 70.897 -1.593 2 1 1966 . 1 1 A 206 206 THR N N 419 115.417 114.115 1.302 2 1 1967 . 1 1 A 207 207 TRP HA H 420 4.116 4.948 -0.832 2 1 1976 . 1 1 A 207 207 TRP CA C 420 61.178 56.423 4.754 2 1 1977 . 1 1 A 207 207 TRP CB C 420 28.670 31.480 -2.810 2 1 1984 . 1 1 A 209 209 ILE H H 422 6.744 8.529 -1.785 2 1 1985 . 1 1 A 209 209 ILE HA H 422 3.349 4.001 -0.652 2 1 1993 . 1 1 A 209 209 ILE C C 422 178.143 177.266 0.877 2 1 1994 . 1 1 A 209 209 ILE CA C 422 60.865 63.296 -2.431 2 1 1995 . 1 1 A 209 209 ILE CB C 422 34.371 37.617 -3.246 2 1 1999 . 1 1 A 209 209 ILE N N 422 113.211 122.283 -9.072 2 1 2000 . 1 1 A 210 210 GLN H H 423 8.252 8.226 0.026 2 1 2001 . 1 1 A 210 210 GLN HA H 423 3.548 4.033 -0.485 2 1 2006 . 1 1 A 210 210 GLN C C 423 179.079 177.459 1.620 2 1 2007 . 1 1 A 210 210 GLN CA C 423 58.795 58.526 0.269 2 1 2008 . 1 1 A 210 210 GLN CB C 423 26.704 28.410 -1.706 2 1 2010 . 1 1 A 210 210 GLN N N 423 116.455 121.561 -5.106 2 1 2011 . 1 1 A 211 211 SER H H 424 8.162 8.063 0.099 2 1 2012 . 1 1 A 211 211 SER HA H 424 3.961 4.386 -0.425 2 1 2015 . 1 1 A 211 211 SER C C 424 179.150 175.946 3.204 2 1 2016 . 1 1 A 211 211 SER CA C 424 61.850 60.101 1.749 2 1 2017 . 1 1 A 211 211 SER CB C 424 62.214 63.213 -0.999 2 1 2018 . 1 1 A 211 211 SER N N 424 115.041 115.062 -0.021 2 1 2019 . 1 1 A 212 212 LEU H H 425 8.061 8.044 0.017 2 1 2020 . 1 1 A 212 212 LEU HA H 425 3.540 4.106 -0.566 2 1 2030 . 1 1 A 212 212 LEU C C 425 177.566 178.274 -0.708 2 1 2031 . 1 1 A 212 212 LEU CA C 425 58.548 57.696 0.852 2 1 2032 . 1 1 A 212 212 LEU CB C 425 41.665 41.749 -0.084 2 1 2036 . 1 1 A 212 212 LEU N N 425 124.082 122.322 1.760 2 1 2037 . 1 1 A 213 213 CYS H H 426 7.940 8.161 -0.221 2 1 2038 . 1 1 A 213 213 CYS HA H 426 3.628 4.011 -0.383 2 1 2041 . 1 1 A 213 213 CYS C C 426 175.741 176.565 -0.824 2 1 2042 . 1 1 A 213 213 CYS CA C 426 65.159 62.152 3.007 2 1 2043 . 1 1 A 213 213 CYS CB C 426 49.251 26.976 22.275 2 1 2044 . 1 1 A 213 213 CYS N N 426 114.351 117.836 -3.485 2 1 2045 . 1 1 A 214 214 GLN H H 427 7.510 8.159 -0.649 2 1 2046 . 1 1 A 214 214 GLN HA H 427 3.772 4.126 -0.354 2 1 2051 . 1 1 A 214 214 GLN C C 427 177.769 177.828 -0.060 2 1 2052 . 1 1 A 214 214 GLN CA C 427 59.019 57.777 1.242 2 1 2053 . 1 1 A 214 214 GLN CB C 427 27.718 28.001 -0.283 2 1 2055 . 1 1 A 214 214 GLN N N 427 117.399 118.671 -1.272 2 1 2056 . 1 1 A 215 215 SER H H 428 7.906 7.976 -0.071 2 1 2057 . 1 1 A 215 215 SER HA H 428 4.173 4.263 -0.090 2 1 2060 . 1 1 A 215 215 SER CA C 428 62.653 61.711 0.942 2 1 2061 . 1 1 A 215 215 SER CB C 428 62.889 63.239 -0.350 2 1 2062 . 1 1 A 215 215 SER N N 428 113.799 117.011 -3.212 2 1 2063 . 1 1 A 216 216 LEU H H 429 8.505 8.032 0.473 2 1 2064 . 1 1 A 216 216 LEU HA H 429 4.156 3.946 0.210 2 1 2071 . 1 1 A 216 216 LEU C C 429 178.848 178.155 0.693 2 1 2072 . 1 1 A 216 216 LEU CA C 429 58.053 57.760 0.293 2 1 2073 . 1 1 A 216 216 LEU CB C 429 41.222 41.493 -0.271 2 1 2076 . 1 1 A 216 216 LEU N N 429 121.357 119.346 2.011 2 1 2077 . 1 1 A 217 217 ARG H H 430 7.972 8.362 -0.390 2 1 2078 . 1 1 A 217 217 ARG HA H 430 3.850 3.961 -0.111 2 1 2085 . 1 1 A 217 217 ARG C C 430 178.237 177.112 1.125 2 1 2086 . 1 1 A 217 217 ARG CA C 430 59.472 58.289 1.183 2 1 2087 . 1 1 A 217 217 ARG CB C 430 30.256 29.861 0.395 2 1 2090 . 1 1 A 217 217 ARG N N 430 116.018 120.336 -4.318 2 1 2091 . 1 1 A 218 218 GLU H H 431 7.583 7.995 -0.412 2 1 2092 . 1 1 A 218 218 GLU HA H 431 4.119 4.262 -0.143 2 1 2096 . 1 1 A 218 218 GLU C C 431 178.377 176.938 1.439 2 1 2097 . 1 1 A 218 218 GLU CA C 431 58.207 56.960 1.247 2 1 2098 . 1 1 A 218 218 GLU CB C 431 30.548 29.225 1.323 2 1 2100 . 1 1 A 218 218 GLU N N 431 113.645 118.069 -4.424 2 1 2101 . 1 1 A 219 219 ARG H H 432 8.621 7.866 0.755 2 1 2102 . 1 1 A 219 219 ARG HA H 432 4.180 4.295 -0.115 2 1 2103 . 1 1 A 219 219 ARG C C 432 178.455 177.029 1.426 2 1 2104 . 1 1 A 219 219 ARG CA C 432 58.428 56.638 1.790 2 1 2105 . 1 1 A 219 219 ARG CB C 432 30.936 30.152 0.784 2 1 2107 . 1 1 A 219 219 ARG N N 432 114.272 118.297 -4.025 2 1 2108 . 1 1 A 220 220 CYS H H 433 8.828 8.017 0.811 2 1 2109 . 1 1 A 220 220 CYS HA H 433 4.464 4.165 0.299 2 1 2112 . 1 1 A 220 220 CYS C C 433 176.708 175.330 1.378 2 1 2113 . 1 1 A 220 220 CYS CA C 433 66.312 63.432 2.880 2 1 2114 . 1 1 A 220 220 CYS CB C 433 47.095 25.949 21.146 2 1 2115 . 1 1 A 220 220 CYS N N 433 120.012 118.716 1.296 2 1 2116 . 1 1 A 221 221 PRO HA H 434 4.463 4.591 -0.128 2 1 2123 . 1 1 A 221 221 PRO C C 434 177.064 176.587 0.477 2 1 2124 . 1 1 A 221 221 PRO CA C 434 65.717 63.065 2.652 2 1 2125 . 1 1 A 221 221 PRO CB C 434 31.169 30.519 0.650 2 1 2128 . 1 1 A 222 222 ARG H H 435 6.904 8.564 -1.660 2 1 2129 . 1 1 A 222 222 ARG HA H 435 4.331 4.471 -0.139 2 1 2136 . 1 1 A 222 222 ARG C C 435 176.536 176.698 -0.162 2 1 2137 . 1 1 A 222 222 ARG CA C 435 55.901 56.426 -0.525 2 1 2138 . 1 1 A 222 222 ARG CB C 435 30.116 31.972 -1.856 2 1 2141 . 1 1 A 222 222 ARG N N 435 112.486 119.969 -7.483 2 1 2142 . 1 1 A 223 223 GLY H H 436 8.160 7.995 0.165 2 1 2143 . 1 1 A 223 223 GLY HA2 H 436 4.237 4.007 0.230 2 1 2144 . 1 1 A 223 223 GLY HA3 H 436 3.643 4.036 -0.393 2 1 2145 . 1 1 A 223 223 GLY C C 436 173.338 174.238 -0.900 2 1 2146 . 1 1 A 223 223 GLY CA C 436 43.988 45.603 -1.615 2 1 2147 . 1 1 A 223 223 GLY N N 436 105.931 107.173 -1.242 2 1 2148 . 1 1 A 224 224 ASP H H 437 6.891 7.989 -1.098 2 1 2149 . 1 1 A 224 224 ASP HA H 437 4.500 4.750 -0.250 2 1 2151 . 1 1 A 224 224 ASP C C 437 173.806 175.503 -1.697 2 1 2152 . 1 1 A 224 224 ASP CA C 437 54.576 54.285 0.291 2 1 2153 . 1 1 A 224 224 ASP CB C 437 40.588 41.927 -1.339 2 1 2154 . 1 1 A 224 224 ASP N N 437 119.342 121.190 -1.848 2 1 2155 . 1 1 A 225 225 ASP H H 438 8.054 8.655 -0.601 2 1 2156 . 1 1 A 225 225 ASP HA H 438 4.912 4.837 0.075 2 1 2159 . 1 1 A 225 225 ASP C C 438 175.631 176.662 -1.031 2 1 2160 . 1 1 A 225 225 ASP CA C 438 52.579 54.003 -1.424 2 1 2161 . 1 1 A 225 225 ASP CB C 438 42.616 41.667 0.949 2 1 2162 . 1 1 A 225 225 ASP N N 438 117.877 122.144 -4.267 2 1 2163 . 1 1 A 226 226 ILE H H 439 9.101 8.655 0.446 2 1 2164 . 1 1 A 226 226 ILE HA H 439 3.621 3.949 -0.328 2 1 2174 . 1 1 A 226 226 ILE C C 439 176.146 177.456 -1.310 2 1 2175 . 1 1 A 226 226 ILE CA C 439 62.602 63.533 -0.931 2 1 2176 . 1 1 A 226 226 ILE CB C 439 36.530 37.973 -1.443 2 1 2180 . 1 1 A 226 226 ILE N N 439 118.352 122.667 -4.315 2 1 2181 . 1 1 A 227 227 LEU H H 440 7.814 7.792 0.022 2 1 2182 . 1 1 A 227 227 LEU HA H 440 3.918 3.913 0.005 2 1 2192 . 1 1 A 227 227 LEU C C 440 179.397 178.515 0.882 2 1 2193 . 1 1 A 227 227 LEU CA C 440 58.566 57.409 1.157 2 1 2194 . 1 1 A 227 227 LEU CB C 440 40.819 41.754 -0.935 2 1 2198 . 1 1 A 227 227 LEU N N 440 119.906 121.273 -1.367 2 1 2199 . 1 1 A 228 228 THR H H 441 7.665 7.940 -0.275 2 1 2200 . 1 1 A 228 228 THR HA H 441 4.289 4.136 0.153 2 1 2205 . 1 1 A 228 228 THR C C 441 179.489 176.351 3.138 2 1 2206 . 1 1 A 228 228 THR CA C 441 61.837 64.664 -2.827 2 1 2207 . 1 1 A 228 228 THR CB C 441 69.979 69.018 0.961 2 1 2209 . 1 1 A 228 228 THR N N 441 120.011 112.409 7.602 2 1 2210 . 1 1 A 229 229 ILE H H 442 7.807 7.757 0.050 2 1 2211 . 1 1 A 229 229 ILE HA H 442 3.300 3.653 -0.353 2 1 2221 . 1 1 A 229 229 ILE C C 442 177.728 177.712 0.016 2 1 2222 . 1 1 A 229 229 ILE CA C 442 66.069 64.876 1.193 2 1 2223 . 1 1 A 229 229 ILE CB C 442 38.260 37.807 0.453 2 1 2227 . 1 1 A 229 229 ILE N N 442 119.411 121.619 -2.208 2 1 2228 . 1 1 A 230 230 LEU H H 443 8.530 7.737 0.793 2 1 2229 . 1 1 A 230 230 LEU HA H 443 3.958 4.060 -0.102 2 1 2239 . 1 1 A 230 230 LEU C C 443 178.689 177.924 0.765 2 1 2240 . 1 1 A 230 230 LEU CA C 443 57.697 57.148 0.549 2 1 2241 . 1 1 A 230 230 LEU CB C 443 42.191 41.750 0.441 2 1 2245 . 1 1 A 230 230 LEU N N 443 116.186 120.009 -3.823 2 1 2246 . 1 1 A 231 231 THR H H 444 8.008 7.833 0.175 2 1 2247 . 1 1 A 231 231 THR HA H 444 4.153 4.375 -0.222 2 1 2252 . 1 1 A 231 231 THR C C 444 175.208 175.536 -0.328 2 1 2253 . 1 1 A 231 231 THR CA C 444 65.327 62.187 3.140 2 1 2254 . 1 1 A 231 231 THR CB C 444 69.718 69.125 0.593 2 1 2256 . 1 1 A 231 231 THR N N 444 112.075 110.754 1.321 2 1 2257 . 1 1 A 232 232 GLU H H 445 7.717 8.200 -0.483 2 1 2258 . 1 1 A 232 232 GLU HA H 445 4.186 4.139 0.047 2 1 2259 . 1 1 A 232 232 GLU C C 445 177.156 177.806 -0.651 2 1 2260 . 1 1 A 232 232 GLU CA C 445 57.891 58.321 -0.430 2 1 2261 . 1 1 A 232 232 GLU CB C 445 28.836 29.375 -0.539 2 1 2263 . 1 1 A 232 232 GLU N N 445 120.074 121.334 -1.260 2 1 2294 . 1 1 A 252 252 GLN H H 465 8.586 8.280 0.306 2 1 2295 . 1 1 A 252 252 GLN HA H 465 4.689 4.612 0.077 2 1 2296 . 1 1 A 252 252 GLN C C 465 174.446 174.178 0.268 2 1 2297 . 1 1 A 252 252 GLN CA C 465 53.682 54.438 -0.756 2 1 2298 . 1 1 A 252 252 GLN CB C 465 28.537 29.387 -0.850 2 1 2300 . 1 1 A 252 252 GLN N N 465 121.782 118.620 3.162 2 1 2301 . 1 1 A 253 253 PRO HA H 466 4.902 4.660 0.242 2 1 2302 . 1 1 A 253 253 PRO C C 466 174.937 176.326 -1.389 2 1 2303 . 1 1 A 253 253 PRO CA C 466 63.075 62.609 0.466 2 1 2304 . 1 1 A 253 253 PRO CB C 466 32.384 32.202 0.182 2 1 2307 . 1 1 A 254 254 THR H H 467 8.556 8.306 0.250 2 1 2308 . 1 1 A 254 254 THR HA H 467 4.659 4.530 0.129 2 1 2313 . 1 1 A 254 254 THR C C 467 172.995 174.229 -1.234 2 1 2314 . 1 1 A 254 254 THR CA C 467 61.740 61.511 0.229 2 1 2315 . 1 1 A 254 254 THR CB C 467 70.195 69.317 0.878 2 1 2317 . 1 1 A 254 254 THR N N 467 115.754 114.331 1.423 2 1 2318 . 1 1 A 255 255 PHE H H 468 8.560 7.937 0.623 2 1 2319 . 1 1 A 255 255 PHE HA H 468 5.502 5.072 0.430 2 1 2322 . 1 1 A 255 255 PHE C C 468 173.198 174.686 -1.488 2 1 2323 . 1 1 A 255 255 PHE CA C 468 56.283 55.950 0.333 2 1 2324 . 1 1 A 255 255 PHE CB C 468 43.426 41.226 2.200 2 1 2325 . 1 1 A 255 255 PHE N N 468 120.481 121.383 -0.902 2 1 2326 . 1 1 A 256 256 THR H H 469 9.702 8.582 1.119 2 1 2327 . 1 1 A 256 256 THR HA H 469 4.662 5.008 -0.346 2 1 2332 . 1 1 A 256 256 THR C C 469 176.561 173.424 3.137 2 1 2333 . 1 1 A 256 256 THR CA C 469 59.948 60.623 -0.675 2 1 2334 . 1 1 A 256 256 THR CB C 469 69.145 70.471 -1.326 2 1 2336 . 1 1 A 256 256 THR N N 469 108.601 113.179 -4.578 2 1 2337 . 1 1 A 257 257 LEU H H 470 7.235 8.737 -1.502 2 1 2338 . 1 1 A 257 257 LEU HA H 470 4.401 4.890 -0.489 2 1 2348 . 1 1 A 257 257 LEU C C 470 175.975 176.705 -0.730 2 1 2349 . 1 1 A 257 257 LEU CA C 470 55.492 53.745 1.747 2 1 2350 . 1 1 A 257 257 LEU CB C 470 41.850 45.227 -3.377 2 1 2354 . 1 1 A 257 257 LEU N N 470 120.802 126.477 -5.675 2 1 2355 . 1 1 A 258 258 ARG H H 471 8.228 8.697 -0.469 2 1 2356 . 1 1 A 258 258 ARG HA H 471 4.631 4.382 0.249 2 1 2363 . 1 1 A 258 258 ARG C C 471 174.114 175.994 -1.880 2 1 2364 . 1 1 A 258 258 ARG CA C 471 55.071 57.096 -2.025 2 1 2365 . 1 1 A 258 258 ARG CB C 471 32.470 30.937 1.533 2 1 2368 . 1 1 A 258 258 ARG N N 471 118.883 121.706 -2.823 2 1 2369 . 1 1 A 259 259 LYS H H 472 7.217 7.647 -0.430 2 1 2370 . 1 1 A 259 259 LYS HA H 472 4.260 4.750 -0.489 2 1 2379 . 1 1 A 259 259 LYS C C 472 174.571 174.935 -0.364 2 1 2380 . 1 1 A 259 259 LYS CA C 472 53.269 54.603 -1.334 2 1 2381 . 1 1 A 259 259 LYS CB C 472 36.332 35.526 0.806 2 1 2385 . 1 1 A 259 259 LYS N N 472 116.031 117.315 -1.284 2 1 2386 . 1 1 A 260 260 LYS H H 473 8.357 8.519 -0.162 2 1 2387 . 1 1 A 260 260 LYS HA H 473 4.297 4.544 -0.247 2 1 2396 . 1 1 A 260 260 LYS C C 473 174.137 175.428 -1.291 2 1 2397 . 1 1 A 260 260 LYS CA C 473 57.258 56.053 1.205 2 1 2398 . 1 1 A 260 260 LYS CB C 473 33.561 33.353 0.208 2 1 2402 . 1 1 A 260 260 LYS N N 473 119.377 122.331 -2.954 2 1 2403 . 1 1 A 261 261 LEU H H 474 9.288 8.846 0.442 2 1 2404 . 1 1 A 261 261 LEU HA H 474 5.048 4.840 0.208 2 1 2414 . 1 1 A 261 261 LEU C C 474 172.558 175.269 -2.711 2 1 2415 . 1 1 A 261 261 LEU CA C 474 53.327 54.056 -0.729 2 1 2416 . 1 1 A 261 261 LEU CB C 474 44.313 42.846 1.468 2 1 2420 . 1 1 A 261 261 LEU N N 474 126.482 128.365 -1.883 2 1 2421 . 1 1 A 262 262 VAL H H 475 8.876 8.519 0.357 2 1 2422 . 1 1 A 262 262 VAL HA H 475 4.238 4.654 -0.416 2 1 2430 . 1 1 A 262 262 VAL C C 475 174.243 175.189 -0.946 2 1 2431 . 1 1 A 262 262 VAL CA C 475 59.734 61.645 -1.911 2 1 2432 . 1 1 A 262 262 VAL CB C 475 34.790 33.916 0.874 2 1 2435 . 1 1 A 262 262 VAL N N 475 124.316 125.672 -1.356 2 1 2436 . 1 1 A 263 263 PHE H H 476 8.826 8.790 0.036 2 1 2437 . 1 1 A 263 263 PHE HA H 476 5.518 5.085 0.433 2 1 2443 . 1 1 A 263 263 PHE C C 476 171.887 174.073 -2.186 2 1 2444 . 1 1 A 263 263 PHE CA C 476 52.082 55.747 -3.665 2 1 2445 . 1 1 A 263 263 PHE CB C 476 39.792 39.735 0.057 2 1 2449 . 1 1 A 263 263 PHE N N 476 122.867 125.924 -3.057 2 1 2450 . 1 1 A 264 264 PRO HA H 477 4.649 4.700 -0.051 2 1 2457 . 1 1 A 264 264 PRO C C 477 178.322 176.962 1.360 2 1 2458 . 1 1 A 264 264 PRO CA C 477 62.333 62.957 -0.624 2 1 2459 . 1 1 A 264 264 PRO CB C 477 32.553 33.086 -0.533 2 1 2462 . 1 1 A 265 265 SER H H 478 8.763 8.608 0.155 2 1 2463 . 1 1 A 265 265 SER HA H 478 4.494 4.345 0.149 2 1 2466 . 1 1 A 265 265 SER C C 478 173.725 174.731 -1.006 2 1 2467 . 1 1 A 265 265 SER CA C 478 59.060 59.929 -0.869 2 1 2468 . 1 1 A 265 265 SER CB C 478 64.038 63.214 0.824 2 1 2469 . 1 1 A 265 265 SER N N 478 116.725 114.897 1.828 2 stop_ save_