data_10197_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 10197
_Entry.PDB_ID 2EM6
_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 1 . 1 1 1 A 7 7 GLY CA C 7 45.522 44.097 1.425 1
1 2 . 1 1 1 A 7 7 GLY HA2 H 7 3.949 4.142 -0.193 1
1 3 . 1 1 1 A 7 7 GLY C C 7 174.326 173.988 0.338 1
1 4 . 1 1 1 A 8 8 MET N N 8 119.786 117.335 2.451 1
1 5 . 1 1 1 A 8 8 MET H H 8 8.274 8.694 -0.420 1
1 6 . 1 1 1 A 8 8 MET CA C 8 55.569 56.744 -1.175 1
1 7 . 1 1 1 A 8 8 MET HA H 8 4.511 3.958 0.553 1
1 8 . 1 1 1 A 8 8 MET CB C 8 32.859 31.346 1.513 1
1 18 . 1 1 1 A 8 8 MET C C 8 176.789 175.108 1.681 1
1 19 . 1 1 1 A 9 9 GLY N N 9 110.120 106.836 3.284 1
1 20 . 1 1 1 A 9 9 GLY H H 9 8.454 8.099 0.355 1
1 21 . 1 1 1 A 9 9 GLY CA C 9 45.277 45.373 -0.096 1
1 22 . 1 1 1 A 9 9 GLY HA2 H 9 3.956 4.062 -0.106 1
1 23 . 1 1 1 A 9 9 GLY HA3 H 9 3.956 4.064 -0.108 1
1 24 . 1 1 1 A 9 9 GLY C C 9 174.007 174.173 -0.166 1
1 25 . 1 1 1 A 10 10 GLU N N 10 120.558 123.737 -3.179 1
1 26 . 1 1 1 A 10 10 GLU H H 10 8.068 8.542 -0.474 1
1 27 . 1 1 1 A 10 10 GLU CA C 10 56.544 55.812 0.732 1
1 28 . 1 1 1 A 10 10 GLU HA H 10 4.252 4.290 -0.038 1
1 29 . 1 1 1 A 10 10 GLU CB C 10 30.579 30.235 0.344 1
1 35 . 1 1 1 A 10 10 GLU C C 10 176.309 175.711 0.598 1
1 36 . 1 1 1 A 11 11 LYS N N 11 122.155 119.126 3.029 1
1 37 . 1 1 1 A 11 11 LYS H H 11 8.398 8.524 -0.126 1
1 38 . 1 1 1 A 11 11 LYS CA C 11 55.910 54.845 1.065 1
1 39 . 1 1 1 A 11 11 LYS HA H 11 4.245 4.912 -0.667 1
1 40 . 1 1 1 A 11 11 LYS CB C 11 33.017 35.458 -2.441 1
1 52 . 1 1 1 A 11 11 LYS C C 11 175.280 175.748 -0.468 1
1 53 . 1 1 1 A 12 12 CYS N N 12 119.118 121.906 -2.788 1
1 54 . 1 1 1 A 12 12 CYS H H 12 7.956 8.623 -0.667 1
1 55 . 1 1 1 A 12 12 CYS CA C 12 57.559 57.810 -0.251 1
1 56 . 1 1 1 A 12 12 CYS HA H 12 4.542 4.780 -0.238 1
1 57 . 1 1 1 A 12 12 CYS CB C 12 28.894 26.253 2.641 1
1 60 . 1 1 1 A 12 12 CYS C C 12 172.990 173.793 -0.803 1
1 61 . 1 1 1 A 13 13 TYR N N 13 124.152 126.267 -2.115 1
1 62 . 1 1 1 A 13 13 TYR H H 13 8.727 8.320 0.407 1
1 63 . 1 1 1 A 13 13 TYR CA C 13 57.441 58.819 -1.378 1
1 64 . 1 1 1 A 13 13 TYR HA H 13 4.601 4.602 -0.001 1
1 65 . 1 1 1 A 13 13 TYR CB C 13 39.188 38.383 0.805 1
1 76 . 1 1 1 A 13 13 TYR C C 13 174.171 175.179 -1.008 1
1 77 . 1 1 1 A 14 14 LYS N N 14 125.412 126.358 -0.946 1
1 78 . 1 1 1 A 14 14 LYS H H 14 8.727 8.746 -0.019 1
1 79 . 1 1 1 A 14 14 LYS CA C 14 54.992 55.156 -0.164 1
1 80 . 1 1 1 A 14 14 LYS HA H 14 5.102 5.338 -0.236 1
1 81 . 1 1 1 A 14 14 LYS CB C 14 36.167 34.413 1.754 1
1 93 . 1 1 1 A 14 14 LYS C C 14 175.134 175.758 -0.624 1
1 94 . 1 1 1 A 15 15 CYS N N 15 127.849 124.475 3.374 1
1 95 . 1 1 1 A 15 15 CYS H H 15 9.310 9.308 0.002 1
1 96 . 1 1 1 A 15 15 CYS CA C 15 59.999 58.031 1.968 1
1 97 . 1 1 1 A 15 15 CYS HA H 15 4.533 4.951 -0.418 1
1 98 . 1 1 1 A 15 15 CYS CB C 15 29.661 29.909 -0.248 1
1 101 . 1 1 1 A 15 15 CYS C C 15 176.848 175.159 1.689 1
1 102 . 1 1 1 A 16 16 ASP N N 16 115.181 127.940 -12.759 1
1 103 . 1 1 1 A 16 16 ASP H H 16 9.321 9.185 0.136 1
1 104 . 1 1 1 A 16 16 ASP CA C 16 56.333 53.936 2.397 1
1 105 . 1 1 1 A 16 16 ASP HA H 16 4.447 4.891 -0.444 1
1 106 . 1 1 1 A 16 16 ASP CB C 16 40.579 40.793 -0.214 1
1 109 . 1 1 1 A 16 16 ASP C C 16 175.969 176.463 -0.494 1
1 110 . 1 1 1 A 17 17 VAL N N 17 121.861 118.226 3.635 1
1 111 . 1 1 1 A 17 17 VAL H H 17 8.757 8.060 0.697 1
1 112 . 1 1 1 A 17 17 VAL CA C 17 65.159 63.555 1.604 1
1 113 . 1 1 1 A 17 17 VAL HA H 17 3.797 4.192 -0.395 1
1 114 . 1 1 1 A 17 17 VAL CB C 17 32.936 33.612 -0.676 1
1 124 . 1 1 1 A 17 17 VAL C C 17 177.154 177.262 -0.108 1
1 125 . 1 1 1 A 18 18 CYS N N 18 115.378 115.233 0.145 1
1 126 . 1 1 1 A 18 18 CYS H H 18 8.044 7.524 0.520 1
1 127 . 1 1 1 A 18 18 CYS CA C 18 58.172 59.386 -1.214 1
1 128 . 1 1 1 A 18 18 CYS HA H 18 5.163 4.636 0.527 1
1 129 . 1 1 1 A 18 18 CYS CB C 18 32.784 30.097 2.687 1
1 132 . 1 1 1 A 18 18 CYS C C 18 176.540 175.317 1.223 1
1 133 . 1 1 1 A 19 19 GLY N N 19 113.425 110.087 3.338 1
1 134 . 1 1 1 A 19 19 GLY H H 19 8.066 8.218 -0.152 1
1 135 . 1 1 1 A 19 19 GLY CA C 19 46.336 45.777 0.559 1
1 136 . 1 1 1 A 19 19 GLY HA2 H 19 4.269 4.070 0.199 1
1 137 . 1 1 1 A 19 19 GLY HA3 H 19 3.806 4.080 -0.274 1
1 138 . 1 1 1 A 19 19 GLY C C 19 173.558 174.234 -0.676 1
1 139 . 1 1 1 A 20 20 LYS N N 20 123.276 120.274 3.002 1
1 140 . 1 1 1 A 20 20 LYS H H 20 8.018 7.727 0.291 1
1 141 . 1 1 1 A 20 20 LYS CA C 20 58.465 54.652 3.813 1
1 142 . 1 1 1 A 20 20 LYS HA H 20 3.935 4.737 -0.802 1
1 143 . 1 1 1 A 20 20 LYS CB C 20 33.640 35.856 -2.216 1
1 155 . 1 1 1 A 20 20 LYS C C 20 174.303 174.981 -0.678 1
1 156 . 1 1 1 A 21 21 GLU N N 21 120.572 122.082 -1.510 1
1 157 . 1 1 1 A 21 21 GLU H H 21 7.893 8.202 -0.309 1
1 158 . 1 1 1 A 21 21 GLU CA C 21 55.071 54.761 0.310 1
1 159 . 1 1 1 A 21 21 GLU HA H 21 4.863 5.254 -0.391 1
1 160 . 1 1 1 A 21 21 GLU CB C 21 32.738 33.623 -0.885 1
1 166 . 1 1 1 A 21 21 GLU C C 21 175.442 174.799 0.643 1
1 167 . 1 1 1 A 22 22 PHE N N 22 118.232 122.359 -4.127 1
1 168 . 1 1 1 A 22 22 PHE H H 22 8.808 9.351 -0.543 1
1 169 . 1 1 1 A 22 22 PHE CA C 22 56.999 56.713 0.286 1
1 170 . 1 1 1 A 22 22 PHE HA H 22 4.879 5.063 -0.184 1
1 171 . 1 1 1 A 22 22 PHE CB C 22 43.906 43.517 0.389 1
1 184 . 1 1 1 A 22 22 PHE C C 22 175.502 175.882 -0.380 1
1 185 . 1 1 1 A 23 23 SER CA C 23 59.319 60.124 -0.805 1
1 186 . 1 1 1 A 23 23 SER HA H 23 4.872 4.540 0.332 1
1 187 . 1 1 1 A 23 23 SER CB C 23 64.471 63.914 0.557 1
1 190 . 1 1 1 A 23 23 SER C C 23 174.157 173.336 0.821 1
1 191 . 1 1 1 A 24 24 GLN N N 24 115.876 119.118 -3.242 1
1 192 . 1 1 1 A 24 24 GLN H H 24 7.123 7.563 -0.440 1
1 193 . 1 1 1 A 24 24 GLN CA C 24 53.975 54.589 -0.614 1
1 194 . 1 1 1 A 24 24 GLN HA H 24 4.582 4.593 -0.011 1
1 195 . 1 1 1 A 24 24 GLN CB C 24 31.867 30.085 1.782 1
1 204 . 1 1 1 A 24 24 GLN C C 24 175.839 176.109 -0.270 1
1 205 . 1 1 1 A 25 25 SER CA C 25 61.060 61.005 0.055 1
1 206 . 1 1 1 A 25 25 SER HA H 25 3.107 2.764 0.343 1
1 207 . 1 1 1 A 25 25 SER CB C 25 61.929 62.525 -0.596 1
1 210 . 1 1 1 A 26 26 SER CA C 26 61.019 62.252 -1.233 1
1 211 . 1 1 1 A 26 26 SER HA H 26 4.054 4.062 -0.008 1
1 212 . 1 1 1 A 26 26 SER CB C 26 61.700 62.653 -0.953 1
1 214 . 1 1 1 A 26 26 SER C C 26 176.800 176.571 0.229 1
1 215 . 1 1 1 A 27 27 HIS N N 27 120.923 119.365 1.558 1
1 216 . 1 1 1 A 27 27 HIS H H 27 6.656 8.365 -1.709 1
1 217 . 1 1 1 A 27 27 HIS CA C 27 56.877 59.178 -2.301 1
1 218 . 1 1 1 A 27 27 HIS HA H 27 4.465 4.133 0.332 1
1 219 . 1 1 1 A 27 27 HIS CB C 27 31.765 30.025 1.740 1
1 226 . 1 1 1 A 27 27 HIS C C 27 178.354 177.103 1.251 1
1 227 . 1 1 1 A 28 28 LEU N N 28 121.000 120.234 0.766 1
1 228 . 1 1 1 A 28 28 LEU H H 28 6.955 7.349 -0.394 1
1 229 . 1 1 1 A 28 28 LEU CA C 28 57.734 57.605 0.129 1
1 230 . 1 1 1 A 28 28 LEU HA H 28 3.249 2.647 0.602 1
1 231 . 1 1 1 A 28 28 LEU CB C 28 40.290 41.384 -1.094 1
1 244 . 1 1 1 A 28 28 LEU C C 28 177.380 178.537 -1.157 1
1 245 . 1 1 1 A 29 29 GLN N N 29 118.542 117.902 0.640 1
1 246 . 1 1 1 A 29 29 GLN H H 29 8.074 8.077 -0.003 1
1 247 . 1 1 1 A 29 29 GLN CA C 29 59.241 59.336 -0.095 1
1 248 . 1 1 1 A 29 29 GLN HA H 29 4.078 3.884 0.194 1
1 249 . 1 1 1 A 29 29 GLN CB C 29 28.246 28.203 0.043 1
1 258 . 1 1 1 A 29 29 GLN C C 29 179.270 178.595 0.675 1
1 259 . 1 1 1 A 30 30 THR N N 30 115.381 117.344 -1.963 1
1 260 . 1 1 1 A 30 30 THR H H 30 8.023 8.128 -0.105 1
1 261 . 1 1 1 A 30 30 THR CA C 30 66.331 66.545 -0.214 1
1 262 . 1 1 1 A 30 30 THR HA H 30 3.857 3.921 -0.064 1
1 263 . 1 1 1 A 30 30 THR CB C 30 68.800 68.296 0.504 1
1 269 . 1 1 1 A 30 30 THR C C 30 176.560 176.387 0.173 1
1 270 . 1 1 1 A 31 31 HIS N N 31 121.437 121.112 0.325 1
1 271 . 1 1 1 A 31 31 HIS H H 31 7.611 7.859 -0.248 1
1 272 . 1 1 1 A 31 31 HIS CA C 31 59.124 59.830 -0.706 1
1 273 . 1 1 1 A 31 31 HIS HA H 31 4.227 4.096 0.131 1
1 274 . 1 1 1 A 31 31 HIS CB C 31 28.616 29.688 -1.072 1
1 281 . 1 1 1 A 31 31 HIS C C 31 175.895 176.506 -0.611 1
1 282 . 1 1 1 A 32 32 GLN N N 32 115.030 117.210 -2.180 1
1 283 . 1 1 1 A 32 32 GLN H H 32 8.285 8.474 -0.189 1
1 284 . 1 1 1 A 32 32 GLN CA C 32 59.440 59.221 0.219 1
1 285 . 1 1 1 A 32 32 GLN HA H 32 3.680 3.773 -0.093 1
1 286 . 1 1 1 A 32 32 GLN CB C 32 28.287 28.294 -0.007 1
1 295 . 1 1 1 A 32 32 GLN C C 32 177.393 178.467 -1.074 1
1 296 . 1 1 1 A 33 33 ARG N N 33 117.259 119.789 -2.530 1
1 297 . 1 1 1 A 33 33 ARG H H 33 7.113 7.962 -0.849 1
1 298 . 1 1 1 A 33 33 ARG CA C 33 58.407 59.084 -0.677 1
1 299 . 1 1 1 A 33 33 ARG HA H 33 4.158 3.891 0.267 1
1 300 . 1 1 1 A 33 33 ARG CB C 33 29.987 29.956 0.031 1
1 309 . 1 1 1 A 33 33 ARG C C 33 178.523 178.317 0.206 1
1 310 . 1 1 1 A 34 34 VAL N N 34 116.132 117.230 -1.098 1
1 311 . 1 1 1 A 34 34 VAL H H 34 7.926 7.985 -0.059 1
1 312 . 1 1 1 A 34 34 VAL CA C 34 64.005 65.356 -1.351 1
1 313 . 1 1 1 A 34 34 VAL HA H 34 3.917 3.684 0.233 1
1 314 . 1 1 1 A 34 34 VAL CB C 34 31.133 31.042 0.091 1
1 324 . 1 1 1 A 34 34 VAL C C 34 177.246 177.681 -0.435 1
1 325 . 1 1 1 A 35 35 HIS N N 35 116.613 119.927 -3.314 1
1 326 . 1 1 1 A 35 35 HIS H H 35 7.200 7.647 -0.447 1
1 327 . 1 1 1 A 35 35 HIS CA C 35 54.962 57.855 -2.893 1
1 328 . 1 1 1 A 35 35 HIS HA H 35 4.945 4.414 0.531 1
1 329 . 1 1 1 A 35 35 HIS CB C 35 28.553 31.169 -2.616 1
1 336 . 1 1 1 A 35 35 HIS C C 35 175.670 175.614 0.056 1
1 337 . 1 1 1 A 36 36 THR N N 36 112.053 112.565 -0.512 1
1 338 . 1 1 1 A 36 36 THR H H 36 7.769 7.664 0.105 1
1 339 . 1 1 1 A 36 36 THR CA C 36 62.692 59.955 2.737 1
1 340 . 1 1 1 A 36 36 THR HA H 36 4.347 4.708 -0.361 1
1 341 . 1 1 1 A 36 36 THR CB C 36 69.819 70.424 -0.605 1
1 347 . 1 1 1 A 36 36 THR C C 36 175.500 173.298 2.202 1
1 348 . 1 1 1 A 37 37 GLY CA C 37 45.299 45.523 -0.224 1
1 349 . 1 1 1 A 37 37 GLY HA2 H 37 3.936 4.037 -0.101 1
1 350 . 1 1 1 A 37 37 GLY C C 37 173.971 174.160 -0.189 1
1 351 . 1 1 1 A 38 38 GLU N N 38 120.577 119.869 0.708 1
1 352 . 1 1 1 A 38 38 GLU H H 38 8.266 8.124 0.142 1
1 353 . 1 1 1 A 38 38 GLU CA C 38 56.543 55.078 1.465 1
1 354 . 1 1 1 A 38 38 GLU HA H 38 4.272 4.467 -0.195 1
1 355 . 1 1 1 A 38 38 GLU CB C 38 30.449 28.818 1.631 1
1 361 . 1 1 1 A 38 38 GLU C C 38 176.313 176.007 0.306 1
1 362 . 1 1 1 A 39 39 LYS N N 39 123.814 114.429 9.385 1
1 363 . 1 1 1 A 39 39 LYS H H 39 8.418 7.935 0.483 1
1 364 . 1 1 1 A 39 39 LYS CA C 39 54.156 56.825 -2.669 1
1 365 . 1 1 1 A 39 39 LYS HA H 39 4.611 3.923 0.688 1
1 366 . 1 1 1 A 39 39 LYS CB C 39 32.558 30.611 1.947 1
1 377 . 1 1 1 A 39 39 LYS C C 39 174.459 174.829 -0.370 1
1 378 . 1 1 1 A 40 40 PRO CA C 40 63.278 62.679 0.599 1
1 379 . 1 1 1 A 40 40 PRO HA H 40 4.465 4.538 -0.073 1
1 380 . 1 1 1 A 40 40 PRO CB C 40 32.181 31.684 0.497 1
1 389 . 1 1 1 A 42 42 GLY CA C 42 44.677 45.466 -0.789 1
1 390 . 1 1 1 A 42 42 GLY HA2 H 42 4.162 4.200 -0.038 1
1 391 . 1 1 1 A 42 42 GLY HA3 H 42 4.112 4.201 -0.089 1
1 392 . 1 1 1 A 43 43 PRO CA C 43 63.257 63.815 -0.558 1
1 393 . 1 1 1 A 43 43 PRO HA H 43 4.479 4.505 -0.026 1
1 394 . 1 1 1 A 43 43 PRO CB C 43 32.210 31.894 0.316 1
1 402 . 1 1 1 A 45 45 SER CA C 45 58.380 57.281 1.099 1
1 403 . 1 1 1 A 45 45 SER HA H 45 4.440 4.734 -0.294 1
1 404 . 1 1 1 A 45 45 SER CB C 45 64.123 66.180 -2.057 1
1 406 . 1 1 1 A 45 45 SER C C 45 173.895 174.179 -0.284 1
1 1 . 2 1 1 A 7 7 GLY CA C 7 45.522 45.619 -0.097 1
1 2 . 2 1 1 A 7 7 GLY HA2 H 7 3.949 4.124 -0.175 1
1 3 . 2 1 1 A 7 7 GLY C C 7 174.326 172.714 1.612 1
1 4 . 2 1 1 A 8 8 MET N N 8 119.786 123.217 -3.431 1
1 5 . 2 1 1 A 8 8 MET H H 8 8.274 8.768 -0.494 1
1 6 . 2 1 1 A 8 8 MET CA C 8 55.569 55.478 0.091 1
1 7 . 2 1 1 A 8 8 MET HA H 8 4.511 4.533 -0.022 1
1 8 . 2 1 1 A 8 8 MET CB C 8 32.859 33.695 -0.836 1
1 18 . 2 1 1 A 8 8 MET C C 8 176.789 175.676 1.113 1
1 19 . 2 1 1 A 9 9 GLY N N 9 110.120 107.386 2.734 1
1 20 . 2 1 1 A 9 9 GLY H H 9 8.454 8.380 0.074 1
1 21 . 2 1 1 A 9 9 GLY CA C 9 45.277 46.299 -1.022 1
1 22 . 2 1 1 A 9 9 GLY HA2 H 9 3.956 4.184 -0.228 1
1 23 . 2 1 1 A 9 9 GLY HA3 H 9 3.956 4.185 -0.229 1
1 24 . 2 1 1 A 9 9 GLY C C 9 174.007 172.496 1.511 1
1 25 . 2 1 1 A 10 10 GLU N N 10 120.558 122.481 -1.923 1
1 26 . 2 1 1 A 10 10 GLU H H 10 8.068 8.367 -0.299 1
1 27 . 2 1 1 A 10 10 GLU CA C 10 56.544 56.468 0.076 1
1 28 . 2 1 1 A 10 10 GLU HA H 10 4.252 4.347 -0.095 1
1 29 . 2 1 1 A 10 10 GLU CB C 10 30.579 30.856 -0.277 1
1 35 . 2 1 1 A 10 10 GLU C C 10 176.309 176.344 -0.035 1
1 36 . 2 1 1 A 11 11 LYS N N 11 122.155 120.639 1.516 1
1 37 . 2 1 1 A 11 11 LYS H H 11 8.398 8.473 -0.075 1
1 38 . 2 1 1 A 11 11 LYS CA C 11 55.910 56.061 -0.151 1
1 39 . 2 1 1 A 11 11 LYS HA H 11 4.245 4.591 -0.346 1
1 40 . 2 1 1 A 11 11 LYS CB C 11 33.017 31.740 1.277 1
1 52 . 2 1 1 A 11 11 LYS C C 11 175.280 175.379 -0.099 1
1 53 . 2 1 1 A 12 12 CYS N N 12 119.118 124.753 -5.635 1
1 54 . 2 1 1 A 12 12 CYS H H 12 7.956 7.983 -0.027 1
1 55 . 2 1 1 A 12 12 CYS CA C 12 57.559 58.136 -0.577 1
1 56 . 2 1 1 A 12 12 CYS HA H 12 4.542 4.737 -0.195 1
1 57 . 2 1 1 A 12 12 CYS CB C 12 28.894 26.081 2.813 1
1 60 . 2 1 1 A 12 12 CYS C C 12 172.990 173.726 -0.736 1
1 61 . 2 1 1 A 13 13 TYR N N 13 124.152 126.404 -2.252 1
1 62 . 2 1 1 A 13 13 TYR H H 13 8.727 8.557 0.170 1
1 63 . 2 1 1 A 13 13 TYR CA C 13 57.441 59.246 -1.805 1
1 64 . 2 1 1 A 13 13 TYR HA H 13 4.601 4.557 0.044 1
1 65 . 2 1 1 A 13 13 TYR CB C 13 39.188 39.280 -0.092 1
1 76 . 2 1 1 A 13 13 TYR C C 13 174.171 175.629 -1.458 1
1 77 . 2 1 1 A 14 14 LYS N N 14 125.412 122.460 2.952 1
1 78 . 2 1 1 A 14 14 LYS H H 14 8.727 8.716 0.011 1
1 79 . 2 1 1 A 14 14 LYS CA C 14 54.992 54.506 0.486 1
1 80 . 2 1 1 A 14 14 LYS HA H 14 5.102 5.491 -0.389 1
1 81 . 2 1 1 A 14 14 LYS CB C 14 36.167 36.335 -0.168 1
1 93 . 2 1 1 A 14 14 LYS C C 14 175.134 174.493 0.641 1
1 94 . 2 1 1 A 15 15 CYS N N 15 127.849 124.909 2.940 1
1 95 . 2 1 1 A 15 15 CYS H H 15 9.310 9.408 -0.098 1
1 96 . 2 1 1 A 15 15 CYS CA C 15 59.999 57.984 2.015 1
1 97 . 2 1 1 A 15 15 CYS HA H 15 4.533 4.905 -0.372 1
1 98 . 2 1 1 A 15 15 CYS CB C 15 29.661 29.380 0.281 1
1 101 . 2 1 1 A 15 15 CYS C C 15 176.848 175.364 1.484 1
1 102 . 2 1 1 A 16 16 ASP N N 16 115.181 127.878 -12.697 1
1 103 . 2 1 1 A 16 16 ASP H H 16 9.321 9.162 0.159 1
1 104 . 2 1 1 A 16 16 ASP CA C 16 56.333 54.001 2.332 1
1 105 . 2 1 1 A 16 16 ASP HA H 16 4.447 4.829 -0.382 1
1 106 . 2 1 1 A 16 16 ASP CB C 16 40.579 40.896 -0.317 1
1 109 . 2 1 1 A 16 16 ASP C C 16 175.969 176.466 -0.497 1
1 110 . 2 1 1 A 17 17 VAL N N 17 121.861 118.950 2.911 1
1 111 . 2 1 1 A 17 17 VAL H H 17 8.757 7.990 0.767 1
1 112 . 2 1 1 A 17 17 VAL CA C 17 65.159 63.669 1.490 1
1 113 . 2 1 1 A 17 17 VAL HA H 17 3.797 4.166 -0.369 1
1 114 . 2 1 1 A 17 17 VAL CB C 17 32.936 33.852 -0.916 1
1 124 . 2 1 1 A 17 17 VAL C C 17 177.154 177.292 -0.138 1
1 125 . 2 1 1 A 18 18 CYS N N 18 115.378 115.626 -0.248 1
1 126 . 2 1 1 A 18 18 CYS H H 18 8.044 8.088 -0.044 1
1 127 . 2 1 1 A 18 18 CYS CA C 18 58.172 59.318 -1.146 1
1 128 . 2 1 1 A 18 18 CYS HA H 18 5.163 4.709 0.454 1
1 129 . 2 1 1 A 18 18 CYS CB C 18 32.784 30.217 2.567 1
1 132 . 2 1 1 A 18 18 CYS C C 18 176.540 175.474 1.066 1
1 133 . 2 1 1 A 19 19 GLY N N 19 113.425 109.940 3.485 1
1 134 . 2 1 1 A 19 19 GLY H H 19 8.066 8.069 -0.003 1
1 135 . 2 1 1 A 19 19 GLY CA C 19 46.336 45.559 0.777 1
1 136 . 2 1 1 A 19 19 GLY HA2 H 19 4.269 4.057 0.212 1
1 137 . 2 1 1 A 19 19 GLY HA3 H 19 3.806 4.068 -0.262 1
1 138 . 2 1 1 A 19 19 GLY C C 19 173.558 174.318 -0.760 1
1 139 . 2 1 1 A 20 20 LYS N N 20 123.276 120.623 2.653 1
1 140 . 2 1 1 A 20 20 LYS H H 20 8.018 7.761 0.257 1
1 141 . 2 1 1 A 20 20 LYS CA C 20 58.465 54.769 3.696 1
1 142 . 2 1 1 A 20 20 LYS HA H 20 3.935 4.720 -0.785 1
1 143 . 2 1 1 A 20 20 LYS CB C 20 33.640 35.272 -1.632 1
1 155 . 2 1 1 A 20 20 LYS C C 20 174.303 175.090 -0.787 1
1 156 . 2 1 1 A 21 21 GLU N N 21 120.572 124.160 -3.588 1
1 157 . 2 1 1 A 21 21 GLU H H 21 7.893 8.241 -0.348 1
1 158 . 2 1 1 A 21 21 GLU CA C 21 55.071 54.826 0.245 1
1 159 . 2 1 1 A 21 21 GLU HA H 21 4.863 5.520 -0.657 1
1 160 . 2 1 1 A 21 21 GLU CB C 21 32.738 33.557 -0.819 1
1 166 . 2 1 1 A 21 21 GLU C C 21 175.442 174.867 0.575 1
1 167 . 2 1 1 A 22 22 PHE N N 22 118.232 122.868 -4.636 1
1 168 . 2 1 1 A 22 22 PHE H H 22 8.808 9.417 -0.609 1
1 169 . 2 1 1 A 22 22 PHE CA C 22 56.999 56.949 0.050 1
1 170 . 2 1 1 A 22 22 PHE HA H 22 4.879 4.958 -0.079 1
1 171 . 2 1 1 A 22 22 PHE CB C 22 43.906 43.221 0.685 1
1 184 . 2 1 1 A 22 22 PHE C C 22 175.502 175.785 -0.283 1
1 185 . 2 1 1 A 23 23 SER CA C 23 59.319 61.177 -1.858 1
1 186 . 2 1 1 A 23 23 SER HA H 23 4.872 4.507 0.365 1
1 187 . 2 1 1 A 23 23 SER CB C 23 64.471 63.849 0.622 1
1 190 . 2 1 1 A 23 23 SER C C 23 174.157 173.893 0.264 1
1 191 . 2 1 1 A 24 24 GLN N N 24 115.876 118.276 -2.400 1
1 192 . 2 1 1 A 24 24 GLN H H 24 7.123 7.594 -0.471 1
1 193 . 2 1 1 A 24 24 GLN CA C 24 53.975 53.936 0.039 1
1 194 . 2 1 1 A 24 24 GLN HA H 24 4.582 4.424 0.158 1
1 195 . 2 1 1 A 24 24 GLN CB C 24 31.867 30.285 1.582 1
1 204 . 2 1 1 A 24 24 GLN C C 24 175.839 176.251 -0.412 1
1 205 . 2 1 1 A 25 25 SER CA C 25 61.060 61.092 -0.032 1
1 206 . 2 1 1 A 25 25 SER HA H 25 3.107 3.526 -0.419 1
1 207 . 2 1 1 A 25 25 SER CB C 25 61.929 62.664 -0.735 1
1 210 . 2 1 1 A 26 26 SER CA C 26 61.019 61.404 -0.385 1
1 211 . 2 1 1 A 26 26 SER HA H 26 4.054 3.968 0.086 1
1 212 . 2 1 1 A 26 26 SER CB C 26 61.700 63.059 -1.359 1
1 214 . 2 1 1 A 26 26 SER C C 26 176.800 177.173 -0.373 1
1 215 . 2 1 1 A 27 27 HIS N N 27 120.923 119.411 1.512 1
1 216 . 2 1 1 A 27 27 HIS H H 27 6.656 7.660 -1.004 1
1 217 . 2 1 1 A 27 27 HIS CA C 27 56.877 58.926 -2.049 1
1 218 . 2 1 1 A 27 27 HIS HA H 27 4.465 4.190 0.275 1
1 219 . 2 1 1 A 27 27 HIS CB C 27 31.765 30.174 1.591 1
1 226 . 2 1 1 A 27 27 HIS C C 27 178.354 176.993 1.361 1
1 227 . 2 1 1 A 28 28 LEU N N 28 121.000 120.392 0.608 1
1 228 . 2 1 1 A 28 28 LEU H H 28 6.955 7.904 -0.949 1
1 229 . 2 1 1 A 28 28 LEU CA C 28 57.734 57.613 0.121 1
1 230 . 2 1 1 A 28 28 LEU HA H 28 3.249 2.597 0.652 1
1 231 . 2 1 1 A 28 28 LEU CB C 28 40.290 41.538 -1.248 1
1 244 . 2 1 1 A 28 28 LEU C C 28 177.380 178.432 -1.052 1
1 245 . 2 1 1 A 29 29 GLN N N 29 118.542 117.868 0.674 1
1 246 . 2 1 1 A 29 29 GLN H H 29 8.074 8.327 -0.253 1
1 247 . 2 1 1 A 29 29 GLN CA C 29 59.241 59.154 0.087 1
1 248 . 2 1 1 A 29 29 GLN HA H 29 4.078 3.945 0.133 1
1 249 . 2 1 1 A 29 29 GLN CB C 29 28.246 28.299 -0.053 1
1 258 . 2 1 1 A 29 29 GLN C C 29 179.270 178.531 0.739 1
1 259 . 2 1 1 A 30 30 THR N N 30 115.381 117.845 -2.464 1
1 260 . 2 1 1 A 30 30 THR H H 30 8.023 7.829 0.194 1
1 261 . 2 1 1 A 30 30 THR CA C 30 66.331 66.803 -0.472 1
1 262 . 2 1 1 A 30 30 THR HA H 30 3.857 3.942 -0.085 1
1 263 . 2 1 1 A 30 30 THR CB C 30 68.800 68.502 0.298 1
1 269 . 2 1 1 A 30 30 THR C C 30 176.560 176.240 0.320 1
1 270 . 2 1 1 A 31 31 HIS N N 31 121.437 120.001 1.436 1
1 271 . 2 1 1 A 31 31 HIS H H 31 7.611 7.939 -0.328 1
1 272 . 2 1 1 A 31 31 HIS CA C 31 59.124 60.301 -1.177 1
1 273 . 2 1 1 A 31 31 HIS HA H 31 4.227 4.061 0.166 1
1 274 . 2 1 1 A 31 31 HIS CB C 31 28.616 29.598 -0.982 1
1 281 . 2 1 1 A 31 31 HIS C C 31 175.895 176.665 -0.770 1
1 282 . 2 1 1 A 32 32 GLN N N 32 115.030 117.018 -1.988 1
1 283 . 2 1 1 A 32 32 GLN H H 32 8.285 8.086 0.199 1
1 284 . 2 1 1 A 32 32 GLN CA C 32 59.440 59.048 0.392 1
1 285 . 2 1 1 A 32 32 GLN HA H 32 3.680 3.669 0.011 1
1 286 . 2 1 1 A 32 32 GLN CB C 32 28.287 28.336 -0.049 1
1 295 . 2 1 1 A 32 32 GLN C C 32 177.393 178.357 -0.964 1
1 296 . 2 1 1 A 33 33 ARG N N 33 117.259 120.240 -2.981 1
1 297 . 2 1 1 A 33 33 ARG H H 33 7.113 8.265 -1.152 1
1 298 . 2 1 1 A 33 33 ARG CA C 33 58.407 58.846 -0.439 1
1 299 . 2 1 1 A 33 33 ARG HA H 33 4.158 3.962 0.196 1
1 300 . 2 1 1 A 33 33 ARG CB C 33 29.987 29.933 0.054 1
1 309 . 2 1 1 A 33 33 ARG C C 33 178.523 178.777 -0.254 1
1 310 . 2 1 1 A 34 34 VAL N N 34 116.132 116.273 -0.141 1
1 311 . 2 1 1 A 34 34 VAL H H 34 7.926 7.819 0.107 1
1 312 . 2 1 1 A 34 34 VAL CA C 34 64.005 65.205 -1.200 1
1 313 . 2 1 1 A 34 34 VAL HA H 34 3.917 3.660 0.257 1
1 314 . 2 1 1 A 34 34 VAL CB C 34 31.133 31.119 0.014 1
1 324 . 2 1 1 A 34 34 VAL C C 34 177.246 177.486 -0.240 1
1 325 . 2 1 1 A 35 35 HIS N N 35 116.613 119.867 -3.254 1
1 326 . 2 1 1 A 35 35 HIS H H 35 7.200 7.435 -0.235 1
1 327 . 2 1 1 A 35 35 HIS CA C 35 54.962 58.384 -3.422 1
1 328 . 2 1 1 A 35 35 HIS HA H 35 4.945 4.369 0.576 1
1 329 . 2 1 1 A 35 35 HIS CB C 35 28.553 31.193 -2.640 1
1 336 . 2 1 1 A 35 35 HIS C C 35 175.670 174.991 0.679 1
1 337 . 2 1 1 A 36 36 THR N N 36 112.053 113.930 -1.877 1
1 338 . 2 1 1 A 36 36 THR H H 36 7.769 8.114 -0.345 1
1 339 . 2 1 1 A 36 36 THR CA C 36 62.692 60.887 1.805 1
1 340 . 2 1 1 A 36 36 THR HA H 36 4.347 4.507 -0.160 1
1 341 . 2 1 1 A 36 36 THR CB C 36 69.819 70.808 -0.989 1
1 347 . 2 1 1 A 36 36 THR C C 36 175.500 175.497 0.003 1
1 348 . 2 1 1 A 37 37 GLY CA C 37 45.299 45.578 -0.279 1
1 349 . 2 1 1 A 37 37 GLY HA2 H 37 3.936 3.998 -0.062 1
1 350 . 2 1 1 A 37 37 GLY C C 37 173.971 174.870 -0.899 1
1 351 . 2 1 1 A 38 38 GLU N N 38 120.577 119.271 1.306 1
1 352 . 2 1 1 A 38 38 GLU H H 38 8.266 8.257 0.009 1
1 353 . 2 1 1 A 38 38 GLU CA C 38 56.543 56.056 0.487 1
1 354 . 2 1 1 A 38 38 GLU HA H 38 4.272 4.510 -0.238 1
1 355 . 2 1 1 A 38 38 GLU CB C 38 30.449 29.401 1.048 1
1 361 . 2 1 1 A 38 38 GLU C C 38 176.313 175.979 0.334 1
1 362 . 2 1 1 A 39 39 LYS N N 39 123.814 117.883 5.931 1
1 363 . 2 1 1 A 39 39 LYS H H 39 8.418 8.031 0.387 1
1 364 . 2 1 1 A 39 39 LYS CA C 39 54.156 57.296 -3.140 1
1 365 . 2 1 1 A 39 39 LYS HA H 39 4.611 3.919 0.692 1
1 366 . 2 1 1 A 39 39 LYS CB C 39 32.558 30.966 1.592 1
1 377 . 2 1 1 A 39 39 LYS C C 39 174.459 175.786 -1.327 1
1 378 . 2 1 1 A 40 40 PRO CA C 40 63.278 62.514 0.764 1
1 379 . 2 1 1 A 40 40 PRO HA H 40 4.465 4.550 -0.085 1
1 380 . 2 1 1 A 40 40 PRO CB C 40 32.181 32.698 -0.517 1
1 389 . 2 1 1 A 42 42 GLY CA C 42 44.677 45.937 -1.260 1
1 390 . 2 1 1 A 42 42 GLY HA2 H 42 4.162 4.086 0.076 1
1 391 . 2 1 1 A 42 42 GLY HA3 H 42 4.112 4.086 0.026 1
1 392 . 2 1 1 A 43 43 PRO CA C 43 63.257 62.411 0.846 1
1 393 . 2 1 1 A 43 43 PRO HA H 43 4.479 4.617 -0.138 1
1 394 . 2 1 1 A 43 43 PRO CB C 43 32.210 33.114 -0.904 1
1 402 . 2 1 1 A 45 45 SER CA C 45 58.380 57.885 0.495 1
1 403 . 2 1 1 A 45 45 SER HA H 45 4.440 4.824 -0.384 1
1 404 . 2 1 1 A 45 45 SER CB C 45 64.123 62.766 1.357 1
1 406 . 2 1 1 A 45 45 SER C C 45 173.895 174.389 -0.494 1
1 1 . 3 1 1 A 7 7 GLY CA C 7 45.522 45.571 -0.049 1
1 2 . 3 1 1 A 7 7 GLY HA2 H 7 3.949 3.945 0.004 1
1 3 . 3 1 1 A 7 7 GLY C C 7 174.326 175.361 -1.035 1
1 4 . 3 1 1 A 8 8 MET N N 8 119.786 121.386 -1.600 1
1 5 . 3 1 1 A 8 8 MET H H 8 8.274 8.380 -0.106 1
1 6 . 3 1 1 A 8 8 MET CA C 8 55.569 57.482 -1.913 1
1 7 . 3 1 1 A 8 8 MET HA H 8 4.511 4.223 0.288 1
1 8 . 3 1 1 A 8 8 MET CB C 8 32.859 33.031 -0.172 1
1 18 . 3 1 1 A 8 8 MET C C 8 176.789 176.380 0.409 1
1 19 . 3 1 1 A 9 9 GLY N N 9 110.120 109.601 0.519 1
1 20 . 3 1 1 A 9 9 GLY H H 9 8.454 7.981 0.473 1
1 21 . 3 1 1 A 9 9 GLY CA C 9 45.277 47.120 -1.843 1
1 22 . 3 1 1 A 9 9 GLY HA2 H 9 3.956 3.882 0.074 1
1 23 . 3 1 1 A 9 9 GLY HA3 H 9 3.956 3.885 0.071 1
1 24 . 3 1 1 A 9 9 GLY C C 9 174.007 173.608 0.399 1
1 25 . 3 1 1 A 10 10 GLU N N 10 120.558 123.372 -2.814 1
1 26 . 3 1 1 A 10 10 GLU H H 10 8.068 8.667 -0.599 1
1 27 . 3 1 1 A 10 10 GLU CA C 10 56.544 56.508 0.036 1
1 28 . 3 1 1 A 10 10 GLU HA H 10 4.252 4.294 -0.042 1
1 29 . 3 1 1 A 10 10 GLU CB C 10 30.579 30.787 -0.208 1
1 35 . 3 1 1 A 10 10 GLU C C 10 176.309 176.450 -0.141 1
1 36 . 3 1 1 A 11 11 LYS N N 11 122.155 121.042 1.113 1
1 37 . 3 1 1 A 11 11 LYS H H 11 8.398 8.399 -0.001 1
1 38 . 3 1 1 A 11 11 LYS CA C 11 55.910 57.417 -1.507 1
1 39 . 3 1 1 A 11 11 LYS HA H 11 4.245 3.956 0.289 1
1 40 . 3 1 1 A 11 11 LYS CB C 11 33.017 32.319 0.698 1
1 52 . 3 1 1 A 11 11 LYS C C 11 175.280 177.547 -2.267 1
1 53 . 3 1 1 A 12 12 CYS N N 12 119.118 120.552 -1.434 1
1 54 . 3 1 1 A 12 12 CYS H H 12 7.956 8.686 -0.730 1
1 55 . 3 1 1 A 12 12 CYS CA C 12 57.559 58.949 -1.390 1
1 56 . 3 1 1 A 12 12 CYS HA H 12 4.542 4.463 0.079 1
1 57 . 3 1 1 A 12 12 CYS CB C 12 28.894 26.895 1.999 1
1 60 . 3 1 1 A 12 12 CYS C C 12 172.990 174.808 -1.818 1
1 61 . 3 1 1 A 13 13 TYR N N 13 124.152 123.595 0.557 1
1 62 . 3 1 1 A 13 13 TYR H H 13 8.727 7.738 0.989 1
1 63 . 3 1 1 A 13 13 TYR CA C 13 57.441 59.565 -2.124 1
1 64 . 3 1 1 A 13 13 TYR HA H 13 4.601 4.483 0.118 1
1 65 . 3 1 1 A 13 13 TYR CB C 13 39.188 38.828 0.360 1
1 76 . 3 1 1 A 13 13 TYR C C 13 174.171 175.303 -1.132 1
1 77 . 3 1 1 A 14 14 LYS N N 14 125.412 126.079 -0.667 1
1 78 . 3 1 1 A 14 14 LYS H H 14 8.727 8.858 -0.131 1
1 79 . 3 1 1 A 14 14 LYS CA C 14 54.992 54.473 0.519 1
1 80 . 3 1 1 A 14 14 LYS HA H 14 5.102 5.435 -0.333 1
1 81 . 3 1 1 A 14 14 LYS CB C 14 36.167 35.911 0.256 1
1 93 . 3 1 1 A 14 14 LYS C C 14 175.134 175.801 -0.667 1
1 94 . 3 1 1 A 15 15 CYS N N 15 127.849 125.119 2.730 1
1 95 . 3 1 1 A 15 15 CYS H H 15 9.310 9.489 -0.179 1
1 96 . 3 1 1 A 15 15 CYS CA C 15 59.999 59.633 0.366 1
1 97 . 3 1 1 A 15 15 CYS HA H 15 4.533 4.620 -0.087 1
1 98 . 3 1 1 A 15 15 CYS CB C 15 29.661 28.379 1.282 1
1 101 . 3 1 1 A 15 15 CYS C C 15 176.848 175.368 1.480 1
1 102 . 3 1 1 A 16 16 ASP N N 16 115.181 127.750 -12.569 1
1 103 . 3 1 1 A 16 16 ASP H H 16 9.321 8.921 0.400 1
1 104 . 3 1 1 A 16 16 ASP CA C 16 56.333 53.994 2.339 1
1 105 . 3 1 1 A 16 16 ASP HA H 16 4.447 4.830 -0.383 1
1 106 . 3 1 1 A 16 16 ASP CB C 16 40.579 40.368 0.211 1
1 109 . 3 1 1 A 16 16 ASP C C 16 175.969 176.485 -0.516 1
1 110 . 3 1 1 A 17 17 VAL N N 17 121.861 118.251 3.610 1
1 111 . 3 1 1 A 17 17 VAL H H 17 8.757 7.979 0.778 1
1 112 . 3 1 1 A 17 17 VAL CA C 17 65.159 63.542 1.617 1
1 113 . 3 1 1 A 17 17 VAL HA H 17 3.797 4.188 -0.391 1
1 114 . 3 1 1 A 17 17 VAL CB C 17 32.936 33.660 -0.724 1
1 124 . 3 1 1 A 17 17 VAL C C 17 177.154 177.282 -0.128 1
1 125 . 3 1 1 A 18 18 CYS N N 18 115.378 115.580 -0.202 1
1 126 . 3 1 1 A 18 18 CYS H H 18 8.044 7.991 0.053 1
1 127 . 3 1 1 A 18 18 CYS CA C 18 58.172 59.318 -1.146 1
1 128 . 3 1 1 A 18 18 CYS HA H 18 5.163 4.650 0.513 1
1 129 . 3 1 1 A 18 18 CYS CB C 18 32.784 30.123 2.661 1
1 132 . 3 1 1 A 18 18 CYS C C 18 176.540 175.268 1.272 1
1 133 . 3 1 1 A 19 19 GLY N N 19 113.425 109.788 3.637 1
1 134 . 3 1 1 A 19 19 GLY H H 19 8.066 8.227 -0.161 1
1 135 . 3 1 1 A 19 19 GLY CA C 19 46.336 46.082 0.254 1
1 136 . 3 1 1 A 19 19 GLY HA2 H 19 4.269 4.058 0.211 1
1 137 . 3 1 1 A 19 19 GLY HA3 H 19 3.806 4.064 -0.258 1
1 138 . 3 1 1 A 19 19 GLY C C 19 173.558 173.631 -0.073 1
1 139 . 3 1 1 A 20 20 LYS N N 20 123.276 119.996 3.280 1
1 140 . 3 1 1 A 20 20 LYS H H 20 8.018 7.775 0.243 1
1 141 . 3 1 1 A 20 20 LYS CA C 20 58.465 54.443 4.022 1
1 142 . 3 1 1 A 20 20 LYS HA H 20 3.935 5.006 -1.071 1
1 143 . 3 1 1 A 20 20 LYS CB C 20 33.640 36.270 -2.630 1
1 155 . 3 1 1 A 20 20 LYS C C 20 174.303 174.322 -0.019 1
1 156 . 3 1 1 A 21 21 GLU N N 21 120.572 122.344 -1.772 1
1 157 . 3 1 1 A 21 21 GLU H H 21 7.893 8.210 -0.317 1
1 158 . 3 1 1 A 21 21 GLU CA C 21 55.071 54.619 0.452 1
1 159 . 3 1 1 A 21 21 GLU HA H 21 4.863 5.378 -0.515 1
1 160 . 3 1 1 A 21 21 GLU CB C 21 32.738 34.471 -1.733 1
1 166 . 3 1 1 A 21 21 GLU C C 21 175.442 174.920 0.522 1
1 167 . 3 1 1 A 22 22 PHE N N 22 118.232 120.017 -1.785 1
1 168 . 3 1 1 A 22 22 PHE H H 22 8.808 8.884 -0.076 1
1 169 . 3 1 1 A 22 22 PHE CA C 22 56.999 56.786 0.213 1
1 170 . 3 1 1 A 22 22 PHE HA H 22 4.879 5.029 -0.150 1
1 171 . 3 1 1 A 22 22 PHE CB C 22 43.906 43.832 0.074 1
1 184 . 3 1 1 A 22 22 PHE C C 22 175.502 175.488 0.014 1
1 185 . 3 1 1 A 23 23 SER CA C 23 59.319 59.400 -0.081 1
1 186 . 3 1 1 A 23 23 SER HA H 23 4.872 4.460 0.412 1
1 187 . 3 1 1 A 23 23 SER CB C 23 64.471 63.677 0.794 1
1 190 . 3 1 1 A 23 23 SER C C 23 174.157 174.400 -0.243 1
1 191 . 3 1 1 A 24 24 GLN N N 24 115.876 120.667 -4.791 1
1 192 . 3 1 1 A 24 24 GLN H H 24 7.123 7.577 -0.454 1
1 193 . 3 1 1 A 24 24 GLN CA C 24 53.975 54.633 -0.658 1
1 194 . 3 1 1 A 24 24 GLN HA H 24 4.582 4.696 -0.114 1
1 195 . 3 1 1 A 24 24 GLN CB C 24 31.867 29.863 2.004 1
1 204 . 3 1 1 A 24 24 GLN C C 24 175.839 176.451 -0.612 1
1 205 . 3 1 1 A 25 25 SER CA C 25 61.060 61.094 -0.034 1
1 206 . 3 1 1 A 25 25 SER HA H 25 3.107 2.548 0.559 1
1 207 . 3 1 1 A 25 25 SER CB C 25 61.929 62.202 -0.273 1
1 210 . 3 1 1 A 26 26 SER CA C 26 61.019 61.836 -0.817 1
1 211 . 3 1 1 A 26 26 SER HA H 26 4.054 3.924 0.130 1
1 212 . 3 1 1 A 26 26 SER CB C 26 61.700 63.090 -1.390 1
1 214 . 3 1 1 A 26 26 SER C C 26 176.800 177.291 -0.491 1
1 215 . 3 1 1 A 27 27 HIS N N 27 120.923 119.659 1.264 1
1 216 . 3 1 1 A 27 27 HIS H H 27 6.656 8.323 -1.667 1
1 217 . 3 1 1 A 27 27 HIS CA C 27 56.877 58.427 -1.550 1
1 218 . 3 1 1 A 27 27 HIS HA H 27 4.465 4.306 0.159 1
1 219 . 3 1 1 A 27 27 HIS CB C 27 31.765 29.651 2.114 1
1 226 . 3 1 1 A 27 27 HIS C C 27 178.354 177.079 1.275 1
1 227 . 3 1 1 A 28 28 LEU N N 28 121.000 120.716 0.284 1
1 228 . 3 1 1 A 28 28 LEU H H 28 6.955 7.613 -0.658 1
1 229 . 3 1 1 A 28 28 LEU CA C 28 57.734 56.733 1.001 1
1 230 . 3 1 1 A 28 28 LEU HA H 28 3.249 2.759 0.490 1
1 231 . 3 1 1 A 28 28 LEU CB C 28 40.290 41.727 -1.437 1
1 244 . 3 1 1 A 28 28 LEU C C 28 177.380 178.119 -0.739 1
1 245 . 3 1 1 A 29 29 GLN N N 29 118.542 116.528 2.014 1
1 246 . 3 1 1 A 29 29 GLN H H 29 8.074 7.779 0.295 1
1 247 . 3 1 1 A 29 29 GLN CA C 29 59.241 58.080 1.161 1
1 248 . 3 1 1 A 29 29 GLN HA H 29 4.078 4.309 -0.231 1
1 249 . 3 1 1 A 29 29 GLN CB C 29 28.246 28.540 -0.294 1
1 258 . 3 1 1 A 29 29 GLN C C 29 179.270 177.753 1.517 1
1 259 . 3 1 1 A 30 30 THR N N 30 115.381 116.889 -1.508 1
1 260 . 3 1 1 A 30 30 THR H H 30 8.023 7.957 0.066 1
1 261 . 3 1 1 A 30 30 THR CA C 30 66.331 66.828 -0.497 1
1 262 . 3 1 1 A 30 30 THR HA H 30 3.857 3.858 -0.001 1
1 263 . 3 1 1 A 30 30 THR CB C 30 68.800 68.580 0.220 1
1 269 . 3 1 1 A 30 30 THR C C 30 176.560 176.200 0.360 1
1 270 . 3 1 1 A 31 31 HIS N N 31 121.437 119.325 2.112 1
1 271 . 3 1 1 A 31 31 HIS H H 31 7.611 8.126 -0.515 1
1 272 . 3 1 1 A 31 31 HIS CA C 31 59.124 60.422 -1.298 1
1 273 . 3 1 1 A 31 31 HIS HA H 31 4.227 4.076 0.151 1
1 274 . 3 1 1 A 31 31 HIS CB C 31 28.616 29.568 -0.952 1
1 281 . 3 1 1 A 31 31 HIS C C 31 175.895 176.843 -0.948 1
1 282 . 3 1 1 A 32 32 GLN N N 32 115.030 117.340 -2.310 1
1 283 . 3 1 1 A 32 32 GLN H H 32 8.285 8.203 0.082 1
1 284 . 3 1 1 A 32 32 GLN CA C 32 59.440 58.952 0.488 1
1 285 . 3 1 1 A 32 32 GLN HA H 32 3.680 3.952 -0.272 1
1 286 . 3 1 1 A 32 32 GLN CB C 32 28.287 28.308 -0.021 1
1 295 . 3 1 1 A 32 32 GLN C C 32 177.393 178.569 -1.176 1
1 296 . 3 1 1 A 33 33 ARG N N 33 117.259 119.932 -2.673 1
1 297 . 3 1 1 A 33 33 ARG H H 33 7.113 8.230 -1.117 1
1 298 . 3 1 1 A 33 33 ARG CA C 33 58.407 58.914 -0.507 1
1 299 . 3 1 1 A 33 33 ARG HA H 33 4.158 4.048 0.110 1
1 300 . 3 1 1 A 33 33 ARG CB C 33 29.987 30.054 -0.067 1
1 309 . 3 1 1 A 33 33 ARG C C 33 178.523 178.643 -0.120 1
1 310 . 3 1 1 A 34 34 VAL N N 34 116.132 115.944 0.188 1
1 311 . 3 1 1 A 34 34 VAL H H 34 7.926 7.750 0.176 1
1 312 . 3 1 1 A 34 34 VAL CA C 34 64.005 63.554 0.451 1
1 313 . 3 1 1 A 34 34 VAL HA H 34 3.917 3.915 0.002 1
1 314 . 3 1 1 A 34 34 VAL CB C 34 31.133 31.166 -0.033 1
1 324 . 3 1 1 A 34 34 VAL C C 34 177.246 175.988 1.258 1
1 325 . 3 1 1 A 35 35 HIS N N 35 116.613 120.241 -3.628 1
1 326 . 3 1 1 A 35 35 HIS H H 35 7.200 7.984 -0.784 1
1 327 . 3 1 1 A 35 35 HIS CA C 35 54.962 55.371 -0.409 1
1 328 . 3 1 1 A 35 35 HIS HA H 35 4.945 4.916 0.029 1
1 329 . 3 1 1 A 35 35 HIS CB C 35 28.553 29.732 -1.179 1
1 336 . 3 1 1 A 35 35 HIS C C 35 175.670 175.434 0.236 1
1 337 . 3 1 1 A 36 36 THR N N 36 112.053 111.789 0.264 1
1 338 . 3 1 1 A 36 36 THR H H 36 7.769 7.393 0.376 1
1 339 . 3 1 1 A 36 36 THR CA C 36 62.692 62.534 0.158 1
1 340 . 3 1 1 A 36 36 THR HA H 36 4.347 4.308 0.039 1
1 341 . 3 1 1 A 36 36 THR CB C 36 69.819 70.404 -0.585 1
1 347 . 3 1 1 A 36 36 THR C C 36 175.500 175.353 0.147 1
1 348 . 3 1 1 A 37 37 GLY CA C 37 45.299 47.027 -1.728 1
1 349 . 3 1 1 A 37 37 GLY HA2 H 37 3.936 3.889 0.047 1
1 350 . 3 1 1 A 37 37 GLY C C 37 173.971 174.633 -0.662 1
1 351 . 3 1 1 A 38 38 GLU N N 38 120.577 121.431 -0.854 1
1 352 . 3 1 1 A 38 38 GLU H H 38 8.266 8.242 0.024 1
1 353 . 3 1 1 A 38 38 GLU CA C 38 56.543 57.366 -0.823 1
1 354 . 3 1 1 A 38 38 GLU HA H 38 4.272 4.006 0.266 1
1 355 . 3 1 1 A 38 38 GLU CB C 38 30.449 28.377 2.072 1
1 361 . 3 1 1 A 38 38 GLU C C 38 176.313 175.651 0.662 1
1 362 . 3 1 1 A 39 39 LYS N N 39 123.814 117.607 6.207 1
1 363 . 3 1 1 A 39 39 LYS H H 39 8.418 8.398 0.020 1
1 364 . 3 1 1 A 39 39 LYS CA C 39 54.156 57.195 -3.039 1
1 365 . 3 1 1 A 39 39 LYS HA H 39 4.611 4.027 0.584 1
1 366 . 3 1 1 A 39 39 LYS CB C 39 32.558 30.890 1.668 1
1 377 . 3 1 1 A 39 39 LYS C C 39 174.459 177.302 -2.843 1
1 378 . 3 1 1 A 40 40 PRO CA C 40 63.278 63.933 -0.655 1
1 379 . 3 1 1 A 40 40 PRO HA H 40 4.465 4.510 -0.045 1
1 380 . 3 1 1 A 40 40 PRO CB C 40 32.181 32.112 0.069 1
1 389 . 3 1 1 A 42 42 GLY CA C 42 44.677 44.565 0.112 1
1 390 . 3 1 1 A 42 42 GLY HA2 H 42 4.162 4.188 -0.026 1
1 391 . 3 1 1 A 42 42 GLY HA3 H 42 4.112 4.189 -0.077 1
1 392 . 3 1 1 A 43 43 PRO CA C 43 63.257 62.655 0.602 1
1 393 . 3 1 1 A 43 43 PRO HA H 43 4.479 4.776 -0.297 1
1 394 . 3 1 1 A 43 43 PRO CB C 43 32.210 30.644 1.566 1
1 402 . 3 1 1 A 45 45 SER CA C 45 58.380 59.436 -1.056 1
1 403 . 3 1 1 A 45 45 SER HA H 45 4.440 4.525 -0.085 1
1 404 . 3 1 1 A 45 45 SER CB C 45 64.123 64.574 -0.451 1
1 406 . 3 1 1 A 45 45 SER C C 45 173.895 173.329 0.566 1
1 1 . 4 1 1 A 7 7 GLY CA C 7 45.522 45.799 -0.277 1
1 2 . 4 1 1 A 7 7 GLY HA2 H 7 3.949 4.208 -0.259 1
1 3 . 4 1 1 A 7 7 GLY C C 7 174.326 173.168 1.158 1
1 4 . 4 1 1 A 8 8 MET N N 8 119.786 114.971 4.815 1
1 5 . 4 1 1 A 8 8 MET H H 8 8.274 7.973 0.301 1
1 6 . 4 1 1 A 8 8 MET CA C 8 55.569 54.462 1.107 1
1 7 . 4 1 1 A 8 8 MET HA H 8 4.511 4.990 -0.479 1
1 8 . 4 1 1 A 8 8 MET CB C 8 32.859 35.097 -2.238 1
1 18 . 4 1 1 A 8 8 MET C C 8 176.789 174.923 1.866 1
1 19 . 4 1 1 A 9 9 GLY N N 9 110.120 106.946 3.174 1
1 20 . 4 1 1 A 9 9 GLY H H 9 8.454 8.398 0.056 1
1 21 . 4 1 1 A 9 9 GLY CA C 9 45.277 44.405 0.872 1
1 22 . 4 1 1 A 9 9 GLY HA2 H 9 3.956 4.089 -0.133 1
1 23 . 4 1 1 A 9 9 GLY HA3 H 9 3.956 4.092 -0.136 1
1 24 . 4 1 1 A 9 9 GLY C C 9 174.007 172.536 1.471 1
1 25 . 4 1 1 A 10 10 GLU N N 10 120.558 119.176 1.382 1
1 26 . 4 1 1 A 10 10 GLU H H 10 8.068 8.438 -0.370 1
1 27 . 4 1 1 A 10 10 GLU CA C 10 56.544 54.521 2.023 1
1 28 . 4 1 1 A 10 10 GLU HA H 10 4.252 5.215 -0.963 1
1 29 . 4 1 1 A 10 10 GLU CB C 10 30.579 33.416 -2.837 1
1 35 . 4 1 1 A 10 10 GLU C C 10 176.309 175.228 1.081 1
1 36 . 4 1 1 A 11 11 LYS N N 11 122.155 120.834 1.321 1
1 37 . 4 1 1 A 11 11 LYS H H 11 8.398 8.504 -0.106 1
1 38 . 4 1 1 A 11 11 LYS CA C 11 55.910 56.742 -0.832 1
1 39 . 4 1 1 A 11 11 LYS HA H 11 4.245 4.451 -0.206 1
1 40 . 4 1 1 A 11 11 LYS CB C 11 33.017 33.521 -0.504 1
1 52 . 4 1 1 A 11 11 LYS C C 11 175.280 176.355 -1.075 1
1 53 . 4 1 1 A 12 12 CYS N N 12 119.118 120.590 -1.472 1
1 54 . 4 1 1 A 12 12 CYS H H 12 7.956 8.671 -0.715 1
1 55 . 4 1 1 A 12 12 CYS CA C 12 57.559 58.081 -0.522 1
1 56 . 4 1 1 A 12 12 CYS HA H 12 4.542 5.073 -0.531 1
1 57 . 4 1 1 A 12 12 CYS CB C 12 28.894 28.778 0.116 1
1 60 . 4 1 1 A 12 12 CYS C C 12 172.990 173.864 -0.874 1
1 61 . 4 1 1 A 13 13 TYR N N 13 124.152 121.763 2.389 1
1 62 . 4 1 1 A 13 13 TYR H H 13 8.727 7.992 0.735 1
1 63 . 4 1 1 A 13 13 TYR CA C 13 57.441 59.735 -2.294 1
1 64 . 4 1 1 A 13 13 TYR HA H 13 4.601 4.463 0.138 1
1 65 . 4 1 1 A 13 13 TYR CB C 13 39.188 38.722 0.466 1
1 76 . 4 1 1 A 13 13 TYR C C 13 174.171 175.378 -1.207 1
1 77 . 4 1 1 A 14 14 LYS N N 14 125.412 125.722 -0.310 1
1 78 . 4 1 1 A 14 14 LYS H H 14 8.727 8.743 -0.016 1
1 79 . 4 1 1 A 14 14 LYS CA C 14 54.992 54.503 0.489 1
1 80 . 4 1 1 A 14 14 LYS HA H 14 5.102 5.393 -0.291 1
1 81 . 4 1 1 A 14 14 LYS CB C 14 36.167 36.247 -0.080 1
1 93 . 4 1 1 A 14 14 LYS C C 14 175.134 175.286 -0.152 1
1 94 . 4 1 1 A 15 15 CYS N N 15 127.849 124.798 3.051 1
1 95 . 4 1 1 A 15 15 CYS H H 15 9.310 9.417 -0.107 1
1 96 . 4 1 1 A 15 15 CYS CA C 15 59.999 59.005 0.994 1
1 97 . 4 1 1 A 15 15 CYS HA H 15 4.533 4.593 -0.060 1
1 98 . 4 1 1 A 15 15 CYS CB C 15 29.661 29.084 0.577 1
1 101 . 4 1 1 A 15 15 CYS C C 15 176.848 175.559 1.289 1
1 102 . 4 1 1 A 16 16 ASP N N 16 115.181 128.824 -13.643 1
1 103 . 4 1 1 A 16 16 ASP H H 16 9.321 9.241 0.080 1
1 104 . 4 1 1 A 16 16 ASP CA C 16 56.333 56.234 0.099 1
1 105 . 4 1 1 A 16 16 ASP HA H 16 4.447 4.423 0.024 1
1 106 . 4 1 1 A 16 16 ASP CB C 16 40.579 40.750 -0.171 1
1 109 . 4 1 1 A 16 16 ASP C C 16 175.969 178.172 -2.203 1
1 110 . 4 1 1 A 17 17 VAL N N 17 121.861 119.208 2.653 1
1 111 . 4 1 1 A 17 17 VAL H H 17 8.757 7.914 0.843 1
1 112 . 4 1 1 A 17 17 VAL CA C 17 65.159 66.684 -1.525 1
1 113 . 4 1 1 A 17 17 VAL HA H 17 3.797 3.444 0.353 1
1 114 . 4 1 1 A 17 17 VAL CB C 17 32.936 31.293 1.643 1
1 124 . 4 1 1 A 17 17 VAL C C 17 177.154 177.585 -0.431 1
1 125 . 4 1 1 A 18 18 CYS N N 18 115.378 114.608 0.770 1
1 126 . 4 1 1 A 18 18 CYS H H 18 8.044 7.770 0.274 1
1 127 . 4 1 1 A 18 18 CYS CA C 18 58.172 59.607 -1.435 1
1 128 . 4 1 1 A 18 18 CYS HA H 18 5.163 4.560 0.603 1
1 129 . 4 1 1 A 18 18 CYS CB C 18 32.784 29.621 3.163 1
1 132 . 4 1 1 A 18 18 CYS C C 18 176.540 175.251 1.289 1
1 133 . 4 1 1 A 19 19 GLY N N 19 113.425 109.796 3.629 1
1 134 . 4 1 1 A 19 19 GLY H H 19 8.066 8.069 -0.003 1
1 135 . 4 1 1 A 19 19 GLY CA C 19 46.336 45.833 0.503 1
1 136 . 4 1 1 A 19 19 GLY HA2 H 19 4.269 4.052 0.217 1
1 137 . 4 1 1 A 19 19 GLY HA3 H 19 3.806 4.063 -0.257 1
1 138 . 4 1 1 A 19 19 GLY C C 19 173.558 173.852 -0.294 1
1 139 . 4 1 1 A 20 20 LYS N N 20 123.276 120.366 2.910 1
1 140 . 4 1 1 A 20 20 LYS H H 20 8.018 7.721 0.297 1
1 141 . 4 1 1 A 20 20 LYS CA C 20 58.465 54.565 3.900 1
1 142 . 4 1 1 A 20 20 LYS HA H 20 3.935 4.879 -0.944 1
1 143 . 4 1 1 A 20 20 LYS CB C 20 33.640 35.980 -2.340 1
1 155 . 4 1 1 A 20 20 LYS C C 20 174.303 174.444 -0.141 1
1 156 . 4 1 1 A 21 21 GLU N N 21 120.572 122.838 -2.266 1
1 157 . 4 1 1 A 21 21 GLU H H 21 7.893 8.230 -0.337 1
1 158 . 4 1 1 A 21 21 GLU CA C 21 55.071 54.686 0.385 1
1 159 . 4 1 1 A 21 21 GLU HA H 21 4.863 5.297 -0.434 1
1 160 . 4 1 1 A 21 21 GLU CB C 21 32.738 33.789 -1.051 1
1 166 . 4 1 1 A 21 21 GLU C C 21 175.442 175.020 0.422 1
1 167 . 4 1 1 A 22 22 PHE N N 22 118.232 122.168 -3.936 1
1 168 . 4 1 1 A 22 22 PHE H H 22 8.808 9.080 -0.272 1
1 169 . 4 1 1 A 22 22 PHE CA C 22 56.999 56.553 0.446 1
1 170 . 4 1 1 A 22 22 PHE HA H 22 4.879 5.001 -0.122 1
1 171 . 4 1 1 A 22 22 PHE CB C 22 43.906 43.599 0.307 1
1 184 . 4 1 1 A 22 22 PHE C C 22 175.502 175.753 -0.251 1
1 185 . 4 1 1 A 23 23 SER CA C 23 59.319 60.270 -0.951 1
1 186 . 4 1 1 A 23 23 SER HA H 23 4.872 4.635 0.237 1
1 187 . 4 1 1 A 23 23 SER CB C 23 64.471 64.261 0.210 1
1 190 . 4 1 1 A 23 23 SER C C 23 174.157 174.671 -0.514 1
1 191 . 4 1 1 A 24 24 GLN N N 24 115.876 119.859 -3.983 1
1 192 . 4 1 1 A 24 24 GLN H H 24 7.123 7.469 -0.346 1
1 193 . 4 1 1 A 24 24 GLN CA C 24 53.975 54.471 -0.496 1
1 194 . 4 1 1 A 24 24 GLN HA H 24 4.582 4.530 0.052 1
1 195 . 4 1 1 A 24 24 GLN CB C 24 31.867 29.694 2.173 1
1 204 . 4 1 1 A 24 24 GLN C C 24 175.839 176.605 -0.766 1
1 205 . 4 1 1 A 25 25 SER CA C 25 61.060 61.633 -0.573 1
1 206 . 4 1 1 A 25 25 SER HA H 25 3.107 3.135 -0.028 1
1 207 . 4 1 1 A 25 25 SER CB C 25 61.929 62.338 -0.409 1
1 210 . 4 1 1 A 26 26 SER CA C 26 61.019 61.581 -0.562 1
1 211 . 4 1 1 A 26 26 SER HA H 26 4.054 4.020 0.034 1
1 212 . 4 1 1 A 26 26 SER CB C 26 61.700 62.976 -1.276 1
1 214 . 4 1 1 A 26 26 SER C C 26 176.800 177.248 -0.448 1
1 215 . 4 1 1 A 27 27 HIS N N 27 120.923 119.838 1.085 1
1 216 . 4 1 1 A 27 27 HIS H H 27 6.656 7.851 -1.195 1
1 217 . 4 1 1 A 27 27 HIS CA C 27 56.877 58.957 -2.080 1
1 218 . 4 1 1 A 27 27 HIS HA H 27 4.465 4.196 0.269 1
1 219 . 4 1 1 A 27 27 HIS CB C 27 31.765 30.010 1.755 1
1 226 . 4 1 1 A 27 27 HIS C C 27 178.354 177.068 1.286 1
1 227 . 4 1 1 A 28 28 LEU N N 28 121.000 120.383 0.617 1
1 228 . 4 1 1 A 28 28 LEU H H 28 6.955 7.424 -0.469 1
1 229 . 4 1 1 A 28 28 LEU CA C 28 57.734 57.886 -0.152 1
1 230 . 4 1 1 A 28 28 LEU HA H 28 3.249 2.969 0.280 1
1 231 . 4 1 1 A 28 28 LEU CB C 28 40.290 42.012 -1.722 1
1 244 . 4 1 1 A 28 28 LEU C C 28 177.380 178.516 -1.136 1
1 245 . 4 1 1 A 29 29 GLN N N 29 118.542 117.808 0.734 1
1 246 . 4 1 1 A 29 29 GLN H H 29 8.074 8.149 -0.075 1
1 247 . 4 1 1 A 29 29 GLN CA C 29 59.241 59.250 -0.009 1
1 248 . 4 1 1 A 29 29 GLN HA H 29 4.078 4.237 -0.159 1
1 249 . 4 1 1 A 29 29 GLN CB C 29 28.246 28.317 -0.071 1
1 258 . 4 1 1 A 29 29 GLN C C 29 179.270 178.479 0.791 1
1 259 . 4 1 1 A 30 30 THR N N 30 115.381 117.508 -2.127 1
1 260 . 4 1 1 A 30 30 THR H H 30 8.023 7.933 0.090 1
1 261 . 4 1 1 A 30 30 THR CA C 30 66.331 66.924 -0.593 1
1 262 . 4 1 1 A 30 30 THR HA H 30 3.857 3.941 -0.084 1
1 263 . 4 1 1 A 30 30 THR CB C 30 68.800 68.503 0.297 1
1 269 . 4 1 1 A 30 30 THR C C 30 176.560 176.272 0.288 1
1 270 . 4 1 1 A 31 31 HIS N N 31 121.437 119.919 1.518 1
1 271 . 4 1 1 A 31 31 HIS H H 31 7.611 8.022 -0.411 1
1 272 . 4 1 1 A 31 31 HIS CA C 31 59.124 60.485 -1.361 1
1 273 . 4 1 1 A 31 31 HIS HA H 31 4.227 4.119 0.108 1
1 274 . 4 1 1 A 31 31 HIS CB C 31 28.616 29.468 -0.852 1
1 281 . 4 1 1 A 31 31 HIS C C 31 175.895 176.765 -0.870 1
1 282 . 4 1 1 A 32 32 GLN N N 32 115.030 117.281 -2.251 1
1 283 . 4 1 1 A 32 32 GLN H H 32 8.285 8.446 -0.161 1
1 284 . 4 1 1 A 32 32 GLN CA C 32 59.440 58.745 0.695 1
1 285 . 4 1 1 A 32 32 GLN HA H 32 3.680 3.757 -0.077 1
1 286 . 4 1 1 A 32 32 GLN CB C 32 28.287 28.296 -0.009 1
1 295 . 4 1 1 A 32 32 GLN C C 32 177.393 178.428 -1.035 1
1 296 . 4 1 1 A 33 33 ARG N N 33 117.259 120.023 -2.764 1
1 297 . 4 1 1 A 33 33 ARG H H 33 7.113 8.225 -1.112 1
1 298 . 4 1 1 A 33 33 ARG CA C 33 58.407 58.986 -0.579 1
1 299 . 4 1 1 A 33 33 ARG HA H 33 4.158 4.375 -0.217 1
1 300 . 4 1 1 A 33 33 ARG CB C 33 29.987 29.990 -0.003 1
1 309 . 4 1 1 A 33 33 ARG C C 33 178.523 178.970 -0.447 1
1 310 . 4 1 1 A 34 34 VAL N N 34 116.132 116.528 -0.396 1
1 311 . 4 1 1 A 34 34 VAL H H 34 7.926 7.708 0.218 1
1 312 . 4 1 1 A 34 34 VAL CA C 34 64.005 64.354 -0.349 1
1 313 . 4 1 1 A 34 34 VAL HA H 34 3.917 3.786 0.131 1
1 314 . 4 1 1 A 34 34 VAL CB C 34 31.133 31.226 -0.093 1
1 324 . 4 1 1 A 34 34 VAL C C 34 177.246 176.446 0.800 1
1 325 . 4 1 1 A 35 35 HIS N N 35 116.613 118.275 -1.662 1
1 326 . 4 1 1 A 35 35 HIS H H 35 7.200 7.937 -0.737 1
1 327 . 4 1 1 A 35 35 HIS CA C 35 54.962 56.754 -1.792 1
1 328 . 4 1 1 A 35 35 HIS HA H 35 4.945 4.663 0.282 1
1 329 . 4 1 1 A 35 35 HIS CB C 35 28.553 31.728 -3.175 1
1 336 . 4 1 1 A 35 35 HIS C C 35 175.670 175.098 0.572 1
1 337 . 4 1 1 A 36 36 THR N N 36 112.053 112.319 -0.266 1
1 338 . 4 1 1 A 36 36 THR H H 36 7.769 7.785 -0.016 1
1 339 . 4 1 1 A 36 36 THR CA C 36 62.692 63.262 -0.570 1
1 340 . 4 1 1 A 36 36 THR HA H 36 4.347 4.091 0.256 1
1 341 . 4 1 1 A 36 36 THR CB C 36 69.819 68.372 1.447 1
1 347 . 4 1 1 A 36 36 THR C C 36 175.500 174.957 0.543 1
1 348 . 4 1 1 A 37 37 GLY CA C 37 45.299 45.427 -0.128 1
1 349 . 4 1 1 A 37 37 GLY HA2 H 37 3.936 3.959 -0.023 1
1 350 . 4 1 1 A 37 37 GLY C C 37 173.971 174.223 -0.252 1
1 351 . 4 1 1 A 38 38 GLU N N 38 120.577 121.837 -1.260 1
1 352 . 4 1 1 A 38 38 GLU H H 38 8.266 7.415 0.851 1
1 353 . 4 1 1 A 38 38 GLU CA C 38 56.543 55.377 1.166 1
1 354 . 4 1 1 A 38 38 GLU HA H 38 4.272 4.386 -0.114 1
1 355 . 4 1 1 A 38 38 GLU CB C 38 30.449 27.920 2.529 1
1 361 . 4 1 1 A 38 38 GLU C C 38 176.313 176.225 0.088 1
1 362 . 4 1 1 A 39 39 LYS N N 39 123.814 122.556 1.258 1
1 363 . 4 1 1 A 39 39 LYS H H 39 8.418 7.714 0.704 1
1 364 . 4 1 1 A 39 39 LYS CA C 39 54.156 53.849 0.307 1
1 365 . 4 1 1 A 39 39 LYS HA H 39 4.611 4.784 -0.173 1
1 366 . 4 1 1 A 39 39 LYS CB C 39 32.558 33.169 -0.611 1
1 377 . 4 1 1 A 39 39 LYS C C 39 174.459 174.953 -0.494 1
1 378 . 4 1 1 A 40 40 PRO CA C 40 63.278 63.942 -0.664 1
1 379 . 4 1 1 A 40 40 PRO HA H 40 4.465 4.498 -0.033 1
1 380 . 4 1 1 A 40 40 PRO CB C 40 32.181 31.682 0.499 1
1 389 . 4 1 1 A 42 42 GLY CA C 42 44.677 44.372 0.305 1
1 390 . 4 1 1 A 42 42 GLY HA2 H 42 4.162 4.355 -0.193 1
1 391 . 4 1 1 A 42 42 GLY HA3 H 42 4.112 4.355 -0.243 1
1 392 . 4 1 1 A 43 43 PRO CA C 43 63.257 62.535 0.722 1
1 393 . 4 1 1 A 43 43 PRO HA H 43 4.479 4.653 -0.174 1
1 394 . 4 1 1 A 43 43 PRO CB C 43 32.210 33.222 -1.012 1
1 402 . 4 1 1 A 45 45 SER CA C 45 58.380 58.532 -0.152 1
1 403 . 4 1 1 A 45 45 SER HA H 45 4.440 4.606 -0.166 1
1 404 . 4 1 1 A 45 45 SER CB C 45 64.123 64.490 -0.367 1
1 406 . 4 1 1 A 45 45 SER C C 45 173.895 175.148 -1.253 1
1 1 . 5 1 1 A 7 7 GLY CA C 7 45.522 45.571 -0.049 1
1 2 . 5 1 1 A 7 7 GLY HA2 H 7 3.949 3.960 -0.011 1
1 3 . 5 1 1 A 7 7 GLY C C 7 174.326 175.266 -0.940 1
1 4 . 5 1 1 A 8 8 MET N N 8 119.786 118.373 1.413 1
1 5 . 5 1 1 A 8 8 MET H H 8 8.274 8.016 0.258 1
1 6 . 5 1 1 A 8 8 MET CA C 8 55.569 56.185 -0.616 1
1 7 . 5 1 1 A 8 8 MET HA H 8 4.511 4.198 0.313 1
1 8 . 5 1 1 A 8 8 MET CB C 8 32.859 30.457 2.402 1
1 18 . 5 1 1 A 8 8 MET C C 8 176.789 175.343 1.446 1
1 19 . 5 1 1 A 9 9 GLY N N 9 110.120 107.978 2.142 1
1 20 . 5 1 1 A 9 9 GLY H H 9 8.454 7.872 0.582 1
1 21 . 5 1 1 A 9 9 GLY CA C 9 45.277 45.845 -0.568 1
1 22 . 5 1 1 A 9 9 GLY HA2 H 9 3.956 4.099 -0.143 1
1 23 . 5 1 1 A 9 9 GLY HA3 H 9 3.956 4.105 -0.149 1
1 24 . 5 1 1 A 9 9 GLY C C 9 174.007 172.387 1.620 1
1 25 . 5 1 1 A 10 10 GLU N N 10 120.558 121.560 -1.002 1
1 26 . 5 1 1 A 10 10 GLU H H 10 8.068 8.537 -0.469 1
1 27 . 5 1 1 A 10 10 GLU CA C 10 56.544 56.238 0.306 1
1 28 . 5 1 1 A 10 10 GLU HA H 10 4.252 4.415 -0.163 1
1 29 . 5 1 1 A 10 10 GLU CB C 10 30.579 30.526 0.053 1
1 35 . 5 1 1 A 10 10 GLU C C 10 176.309 175.971 0.338 1
1 36 . 5 1 1 A 11 11 LYS N N 11 122.155 124.019 -1.864 1
1 37 . 5 1 1 A 11 11 LYS H H 11 8.398 8.722 -0.324 1
1 38 . 5 1 1 A 11 11 LYS CA C 11 55.910 55.359 0.551 1
1 39 . 5 1 1 A 11 11 LYS HA H 11 4.245 4.843 -0.598 1
1 40 . 5 1 1 A 11 11 LYS CB C 11 33.017 34.500 -1.483 1
1 52 . 5 1 1 A 11 11 LYS C C 11 175.280 176.119 -0.839 1
1 53 . 5 1 1 A 12 12 CYS N N 12 119.118 123.785 -4.667 1
1 54 . 5 1 1 A 12 12 CYS H H 12 7.956 8.830 -0.874 1
1 55 . 5 1 1 A 12 12 CYS CA C 12 57.559 58.457 -0.898 1
1 56 . 5 1 1 A 12 12 CYS HA H 12 4.542 4.670 -0.128 1
1 57 . 5 1 1 A 12 12 CYS CB C 12 28.894 26.914 1.980 1
1 60 . 5 1 1 A 12 12 CYS C C 12 172.990 173.104 -0.114 1
1 61 . 5 1 1 A 13 13 TYR N N 13 124.152 127.032 -2.880 1
1 62 . 5 1 1 A 13 13 TYR H H 13 8.727 9.046 -0.319 1
1 63 . 5 1 1 A 13 13 TYR CA C 13 57.441 57.802 -0.361 1
1 64 . 5 1 1 A 13 13 TYR HA H 13 4.601 4.869 -0.268 1
1 65 . 5 1 1 A 13 13 TYR CB C 13 39.188 37.820 1.368 1
1 76 . 5 1 1 A 13 13 TYR C C 13 174.171 175.131 -0.960 1
1 77 . 5 1 1 A 14 14 LYS N N 14 125.412 126.057 -0.645 1
1 78 . 5 1 1 A 14 14 LYS H H 14 8.727 8.263 0.464 1
1 79 . 5 1 1 A 14 14 LYS CA C 14 54.992 54.808 0.184 1
1 80 . 5 1 1 A 14 14 LYS HA H 14 5.102 5.163 -0.061 1
1 81 . 5 1 1 A 14 14 LYS CB C 14 36.167 35.046 1.121 1
1 93 . 5 1 1 A 14 14 LYS C C 14 175.134 175.117 0.017 1
1 94 . 5 1 1 A 15 15 CYS N N 15 127.849 124.348 3.501 1
1 95 . 5 1 1 A 15 15 CYS H H 15 9.310 9.375 -0.065 1
1 96 . 5 1 1 A 15 15 CYS CA C 15 59.999 57.491 2.508 1
1 97 . 5 1 1 A 15 15 CYS HA H 15 4.533 5.010 -0.477 1
1 98 . 5 1 1 A 15 15 CYS CB C 15 29.661 30.326 -0.665 1
1 101 . 5 1 1 A 15 15 CYS C C 15 176.848 174.921 1.927 1
1 102 . 5 1 1 A 16 16 ASP N N 16 115.181 127.909 -12.728 1
1 103 . 5 1 1 A 16 16 ASP H H 16 9.321 9.093 0.228 1
1 104 . 5 1 1 A 16 16 ASP CA C 16 56.333 53.901 2.432 1
1 105 . 5 1 1 A 16 16 ASP HA H 16 4.447 4.868 -0.421 1
1 106 . 5 1 1 A 16 16 ASP CB C 16 40.579 40.884 -0.305 1
1 109 . 5 1 1 A 16 16 ASP C C 16 175.969 176.397 -0.428 1
1 110 . 5 1 1 A 17 17 VAL N N 17 121.861 118.242 3.619 1
1 111 . 5 1 1 A 17 17 VAL H H 17 8.757 8.032 0.725 1
1 112 . 5 1 1 A 17 17 VAL CA C 17 65.159 63.520 1.639 1
1 113 . 5 1 1 A 17 17 VAL HA H 17 3.797 4.170 -0.373 1
1 114 . 5 1 1 A 17 17 VAL CB C 17 32.936 33.586 -0.650 1
1 124 . 5 1 1 A 17 17 VAL C C 17 177.154 177.246 -0.092 1
1 125 . 5 1 1 A 18 18 CYS N N 18 115.378 115.392 -0.014 1
1 126 . 5 1 1 A 18 18 CYS H H 18 8.044 7.596 0.448 1
1 127 . 5 1 1 A 18 18 CYS CA C 18 58.172 59.254 -1.082 1
1 128 . 5 1 1 A 18 18 CYS HA H 18 5.163 4.707 0.456 1
1 129 . 5 1 1 A 18 18 CYS CB C 18 32.784 30.040 2.744 1
1 132 . 5 1 1 A 18 18 CYS C C 18 176.540 175.381 1.159 1
1 133 . 5 1 1 A 19 19 GLY N N 19 113.425 109.852 3.573 1
1 134 . 5 1 1 A 19 19 GLY H H 19 8.066 8.030 0.036 1
1 135 . 5 1 1 A 19 19 GLY CA C 19 46.336 45.201 1.135 1
1 136 . 5 1 1 A 19 19 GLY HA2 H 19 4.269 4.067 0.202 1
1 137 . 5 1 1 A 19 19 GLY HA3 H 19 3.806 4.076 -0.270 1
1 138 . 5 1 1 A 19 19 GLY C C 19 173.558 174.336 -0.778 1
1 139 . 5 1 1 A 20 20 LYS N N 20 123.276 121.573 1.703 1
1 140 . 5 1 1 A 20 20 LYS H H 20 8.018 7.894 0.124 1
1 141 . 5 1 1 A 20 20 LYS CA C 20 58.465 55.429 3.036 1
1 142 . 5 1 1 A 20 20 LYS HA H 20 3.935 4.497 -0.562 1
1 143 . 5 1 1 A 20 20 LYS CB C 20 33.640 33.710 -0.070 1
1 155 . 5 1 1 A 20 20 LYS C C 20 174.303 175.415 -1.112 1
1 156 . 5 1 1 A 21 21 GLU N N 21 120.572 123.879 -3.307 1
1 157 . 5 1 1 A 21 21 GLU H H 21 7.893 8.108 -0.215 1
1 158 . 5 1 1 A 21 21 GLU CA C 21 55.071 54.681 0.390 1
1 159 . 5 1 1 A 21 21 GLU HA H 21 4.863 5.118 -0.255 1
1 160 . 5 1 1 A 21 21 GLU CB C 21 32.738 34.309 -1.571 1
1 166 . 5 1 1 A 21 21 GLU C C 21 175.442 174.828 0.614 1
1 167 . 5 1 1 A 22 22 PHE N N 22 118.232 121.392 -3.160 1
1 168 . 5 1 1 A 22 22 PHE H H 22 8.808 8.928 -0.120 1
1 169 . 5 1 1 A 22 22 PHE CA C 22 56.999 56.778 0.221 1
1 170 . 5 1 1 A 22 22 PHE HA H 22 4.879 5.125 -0.246 1
1 171 . 5 1 1 A 22 22 PHE CB C 22 43.906 43.901 0.005 1
1 184 . 5 1 1 A 22 22 PHE C C 22 175.502 175.616 -0.114 1
1 185 . 5 1 1 A 23 23 SER CA C 23 59.319 60.248 -0.929 1
1 186 . 5 1 1 A 23 23 SER HA H 23 4.872 4.563 0.309 1
1 187 . 5 1 1 A 23 23 SER CB C 23 64.471 64.469 0.002 1
1 190 . 5 1 1 A 23 23 SER C C 23 174.157 173.491 0.666 1
1 191 . 5 1 1 A 24 24 GLN N N 24 115.876 118.693 -2.817 1
1 192 . 5 1 1 A 24 24 GLN H H 24 7.123 7.498 -0.375 1
1 193 . 5 1 1 A 24 24 GLN CA C 24 53.975 54.231 -0.256 1
1 194 . 5 1 1 A 24 24 GLN HA H 24 4.582 4.457 0.125 1
1 195 . 5 1 1 A 24 24 GLN CB C 24 31.867 30.356 1.511 1
1 204 . 5 1 1 A 24 24 GLN C C 24 175.839 176.290 -0.451 1
1 205 . 5 1 1 A 25 25 SER CA C 25 61.060 60.999 0.061 1
1 206 . 5 1 1 A 25 25 SER HA H 25 3.107 3.739 -0.632 1
1 207 . 5 1 1 A 25 25 SER CB C 25 61.929 62.456 -0.527 1
1 210 . 5 1 1 A 26 26 SER CA C 26 61.019 61.383 -0.364 1
1 211 . 5 1 1 A 26 26 SER HA H 26 4.054 4.181 -0.127 1
1 212 . 5 1 1 A 26 26 SER CB C 26 61.700 62.311 -0.611 1
1 214 . 5 1 1 A 26 26 SER C C 26 176.800 177.125 -0.325 1
1 215 . 5 1 1 A 27 27 HIS N N 27 120.923 119.120 1.803 1
1 216 . 5 1 1 A 27 27 HIS H H 27 6.656 7.642 -0.986 1
1 217 . 5 1 1 A 27 27 HIS CA C 27 56.877 58.896 -2.019 1
1 218 . 5 1 1 A 27 27 HIS HA H 27 4.465 4.245 0.220 1
1 219 . 5 1 1 A 27 27 HIS CB C 27 31.765 30.062 1.703 1
1 226 . 5 1 1 A 27 27 HIS C C 27 178.354 177.313 1.041 1
1 227 . 5 1 1 A 28 28 LEU N N 28 121.000 120.354 0.646 1
1 228 . 5 1 1 A 28 28 LEU H H 28 6.955 7.976 -1.021 1
1 229 . 5 1 1 A 28 28 LEU CA C 28 57.734 57.415 0.319 1
1 230 . 5 1 1 A 28 28 LEU HA H 28 3.249 2.330 0.919 1
1 231 . 5 1 1 A 28 28 LEU CB C 28 40.290 41.535 -1.245 1
1 244 . 5 1 1 A 28 28 LEU C C 28 177.380 178.451 -1.071 1
1 245 . 5 1 1 A 29 29 GLN N N 29 118.542 117.616 0.926 1
1 246 . 5 1 1 A 29 29 GLN H H 29 8.074 8.282 -0.208 1
1 247 . 5 1 1 A 29 29 GLN CA C 29 59.241 59.128 0.113 1
1 248 . 5 1 1 A 29 29 GLN HA H 29 4.078 3.938 0.140 1
1 249 . 5 1 1 A 29 29 GLN CB C 29 28.246 28.210 0.036 1
1 258 . 5 1 1 A 29 29 GLN C C 29 179.270 178.737 0.533 1
1 259 . 5 1 1 A 30 30 THR N N 30 115.381 118.007 -2.626 1
1 260 . 5 1 1 A 30 30 THR H H 30 8.023 7.787 0.236 1
1 261 . 5 1 1 A 30 30 THR CA C 30 66.331 66.918 -0.587 1
1 262 . 5 1 1 A 30 30 THR HA H 30 3.857 3.914 -0.057 1
1 263 . 5 1 1 A 30 30 THR CB C 30 68.800 68.607 0.193 1
1 269 . 5 1 1 A 30 30 THR C C 30 176.560 176.122 0.438 1
1 270 . 5 1 1 A 31 31 HIS N N 31 121.437 119.431 2.006 1
1 271 . 5 1 1 A 31 31 HIS H H 31 7.611 7.942 -0.331 1
1 272 . 5 1 1 A 31 31 HIS CA C 31 59.124 60.328 -1.204 1
1 273 . 5 1 1 A 31 31 HIS HA H 31 4.227 4.098 0.129 1
1 274 . 5 1 1 A 31 31 HIS CB C 31 28.616 29.830 -1.214 1
1 281 . 5 1 1 A 31 31 HIS C C 31 175.895 176.844 -0.949 1
1 282 . 5 1 1 A 32 32 GLN N N 32 115.030 117.106 -2.076 1
1 283 . 5 1 1 A 32 32 GLN H H 32 8.285 8.133 0.152 1
1 284 . 5 1 1 A 32 32 GLN CA C 32 59.440 58.730 0.710 1
1 285 . 5 1 1 A 32 32 GLN HA H 32 3.680 3.647 0.033 1
1 286 . 5 1 1 A 32 32 GLN CB C 32 28.287 28.299 -0.012 1
1 295 . 5 1 1 A 32 32 GLN C C 32 177.393 178.364 -0.971 1
1 296 . 5 1 1 A 33 33 ARG N N 33 117.259 119.154 -1.895 1
1 297 . 5 1 1 A 33 33 ARG H H 33 7.113 8.271 -1.158 1
1 298 . 5 1 1 A 33 33 ARG CA C 33 58.407 58.422 -0.015 1
1 299 . 5 1 1 A 33 33 ARG HA H 33 4.158 4.040 0.118 1
1 300 . 5 1 1 A 33 33 ARG CB C 33 29.987 29.919 0.068 1
1 309 . 5 1 1 A 33 33 ARG C C 33 178.523 177.723 0.800 1
1 310 . 5 1 1 A 34 34 VAL N N 34 116.132 116.725 -0.593 1
1 311 . 5 1 1 A 34 34 VAL H H 34 7.926 7.563 0.363 1
1 312 . 5 1 1 A 34 34 VAL CA C 34 64.005 65.373 -1.368 1
1 313 . 5 1 1 A 34 34 VAL HA H 34 3.917 3.834 0.083 1
1 314 . 5 1 1 A 34 34 VAL CB C 34 31.133 31.243 -0.110 1
1 324 . 5 1 1 A 34 34 VAL C C 34 177.246 177.183 0.063 1
1 325 . 5 1 1 A 35 35 HIS N N 35 116.613 120.177 -3.564 1
1 326 . 5 1 1 A 35 35 HIS H H 35 7.200 7.567 -0.367 1
1 327 . 5 1 1 A 35 35 HIS CA C 35 54.962 58.326 -3.364 1
1 328 . 5 1 1 A 35 35 HIS HA H 35 4.945 4.464 0.481 1
1 329 . 5 1 1 A 35 35 HIS CB C 35 28.553 30.724 -2.171 1
1 336 . 5 1 1 A 35 35 HIS C C 35 175.670 177.638 -1.968 1
1 337 . 5 1 1 A 36 36 THR N N 36 112.053 113.852 -1.799 1
1 338 . 5 1 1 A 36 36 THR H H 36 7.769 8.345 -0.576 1
1 339 . 5 1 1 A 36 36 THR CA C 36 62.692 65.111 -2.419 1
1 340 . 5 1 1 A 36 36 THR HA H 36 4.347 3.983 0.364 1
1 341 . 5 1 1 A 36 36 THR CB C 36 69.819 69.460 0.359 1
1 347 . 5 1 1 A 36 36 THR C C 36 175.500 174.702 0.798 1
1 348 . 5 1 1 A 37 37 GLY CA C 37 45.299 46.906 -1.607 1
1 349 . 5 1 1 A 37 37 GLY HA2 H 37 3.936 3.896 0.040 1
1 350 . 5 1 1 A 37 37 GLY C C 37 173.971 174.229 -0.258 1
1 351 . 5 1 1 A 38 38 GLU N N 38 120.577 110.679 9.898 1
1 352 . 5 1 1 A 38 38 GLU H H 38 8.266 8.512 -0.246 1
1 353 . 5 1 1 A 38 38 GLU CA C 38 56.543 57.443 -0.900 1
1 354 . 5 1 1 A 38 38 GLU HA H 38 4.272 3.944 0.328 1
1 355 . 5 1 1 A 38 38 GLU CB C 38 30.449 27.865 2.584 1
1 361 . 5 1 1 A 38 38 GLU C C 38 176.313 175.130 1.183 1
1 362 . 5 1 1 A 39 39 LYS N N 39 123.814 119.274 4.540 1
1 363 . 5 1 1 A 39 39 LYS H H 39 8.418 7.823 0.595 1
1 364 . 5 1 1 A 39 39 LYS CA C 39 54.156 53.924 0.232 1
1 365 . 5 1 1 A 39 39 LYS HA H 39 4.611 4.699 -0.088 1
1 366 . 5 1 1 A 39 39 LYS CB C 39 32.558 32.899 -0.341 1
1 377 . 5 1 1 A 39 39 LYS C C 39 174.459 174.215 0.244 1
1 378 . 5 1 1 A 40 40 PRO CA C 40 63.278 62.387 0.891 1
1 379 . 5 1 1 A 40 40 PRO HA H 40 4.465 4.504 -0.039 1
1 380 . 5 1 1 A 40 40 PRO CB C 40 32.181 29.567 2.614 1
1 389 . 5 1 1 A 42 42 GLY CA C 42 44.677 44.425 0.252 1
1 390 . 5 1 1 A 42 42 GLY HA2 H 42 4.162 4.019 0.143 1
1 391 . 5 1 1 A 42 42 GLY HA3 H 42 4.112 4.019 0.093 1
1 392 . 5 1 1 A 43 43 PRO CA C 43 63.257 62.839 0.418 1
1 393 . 5 1 1 A 43 43 PRO HA H 43 4.479 4.620 -0.141 1
1 394 . 5 1 1 A 43 43 PRO CB C 43 32.210 32.836 -0.626 1
1 402 . 5 1 1 A 45 45 SER CA C 45 58.380 57.428 0.952 1
1 403 . 5 1 1 A 45 45 SER HA H 45 4.440 4.559 -0.119 1
1 404 . 5 1 1 A 45 45 SER CB C 45 64.123 63.569 0.554 1
1 406 . 5 1 1 A 45 45 SER C C 45 173.895 175.090 -1.195 1
1 1 . 6 1 1 A 7 7 GLY CA C 7 45.522 45.251 0.271 1
1 2 . 6 1 1 A 7 7 GLY HA2 H 7 3.949 4.163 -0.214 1
1 3 . 6 1 1 A 7 7 GLY C C 7 174.326 174.387 -0.061 1
1 4 . 6 1 1 A 8 8 MET N N 8 119.786 125.224 -5.438 1
1 5 . 6 1 1 A 8 8 MET H H 8 8.274 8.785 -0.511 1
1 6 . 6 1 1 A 8 8 MET CA C 8 55.569 56.329 -0.760 1
1 7 . 6 1 1 A 8 8 MET HA H 8 4.511 4.499 0.012 1
1 8 . 6 1 1 A 8 8 MET CB C 8 32.859 34.661 -1.802 1
1 18 . 6 1 1 A 8 8 MET C C 8 176.789 176.395 0.394 1
1 19 . 6 1 1 A 9 9 GLY N N 9 110.120 107.851 2.269 1
1 20 . 6 1 1 A 9 9 GLY H H 9 8.454 7.947 0.507 1
1 21 . 6 1 1 A 9 9 GLY CA C 9 45.277 45.769 -0.492 1
1 22 . 6 1 1 A 9 9 GLY HA2 H 9 3.956 3.965 -0.009 1
1 23 . 6 1 1 A 9 9 GLY HA3 H 9 3.956 3.966 -0.010 1
1 24 . 6 1 1 A 9 9 GLY C C 9 174.007 174.898 -0.891 1
1 25 . 6 1 1 A 10 10 GLU N N 10 120.558 115.970 4.588 1
1 26 . 6 1 1 A 10 10 GLU H H 10 8.068 8.091 -0.023 1
1 27 . 6 1 1 A 10 10 GLU CA C 10 56.544 57.565 -1.021 1
1 28 . 6 1 1 A 10 10 GLU HA H 10 4.252 3.955 0.297 1
1 29 . 6 1 1 A 10 10 GLU CB C 10 30.579 27.630 2.949 1
1 35 . 6 1 1 A 10 10 GLU C C 10 176.309 175.550 0.759 1
1 36 . 6 1 1 A 11 11 LYS N N 11 122.155 119.457 2.698 1
1 37 . 6 1 1 A 11 11 LYS H H 11 8.398 7.962 0.436 1
1 38 . 6 1 1 A 11 11 LYS CA C 11 55.910 55.572 0.338 1
1 39 . 6 1 1 A 11 11 LYS HA H 11 4.245 4.170 0.075 1
1 40 . 6 1 1 A 11 11 LYS CB C 11 33.017 31.420 1.597 1
1 52 . 6 1 1 A 11 11 LYS C C 11 175.280 176.327 -1.047 1
1 53 . 6 1 1 A 12 12 CYS N N 12 119.118 124.712 -5.594 1
1 54 . 6 1 1 A 12 12 CYS H H 12 7.956 8.320 -0.364 1
1 55 . 6 1 1 A 12 12 CYS CA C 12 57.559 58.196 -0.637 1
1 56 . 6 1 1 A 12 12 CYS HA H 12 4.542 4.608 -0.066 1
1 57 . 6 1 1 A 12 12 CYS CB C 12 28.894 27.060 1.834 1
1 60 . 6 1 1 A 12 12 CYS C C 12 172.990 174.353 -1.363 1
1 61 . 6 1 1 A 13 13 TYR N N 13 124.152 121.731 2.421 1
1 62 . 6 1 1 A 13 13 TYR H H 13 8.727 7.534 1.193 1
1 63 . 6 1 1 A 13 13 TYR CA C 13 57.441 59.424 -1.983 1
1 64 . 6 1 1 A 13 13 TYR HA H 13 4.601 4.530 0.071 1
1 65 . 6 1 1 A 13 13 TYR CB C 13 39.188 39.283 -0.095 1
1 76 . 6 1 1 A 13 13 TYR C C 13 174.171 175.673 -1.502 1
1 77 . 6 1 1 A 14 14 LYS N N 14 125.412 123.200 2.212 1
1 78 . 6 1 1 A 14 14 LYS H H 14 8.727 8.686 0.041 1
1 79 . 6 1 1 A 14 14 LYS CA C 14 54.992 55.169 -0.177 1
1 80 . 6 1 1 A 14 14 LYS HA H 14 5.102 5.262 -0.160 1
1 81 . 6 1 1 A 14 14 LYS CB C 14 36.167 36.119 0.048 1
1 93 . 6 1 1 A 14 14 LYS C C 14 175.134 174.935 0.199 1
1 94 . 6 1 1 A 15 15 CYS N N 15 127.849 125.386 2.463 1
1 95 . 6 1 1 A 15 15 CYS H H 15 9.310 9.041 0.269 1
1 96 . 6 1 1 A 15 15 CYS CA C 15 59.999 60.017 -0.018 1
1 97 . 6 1 1 A 15 15 CYS HA H 15 4.533 4.659 -0.126 1
1 98 . 6 1 1 A 15 15 CYS CB C 15 29.661 28.582 1.079 1
1 101 . 6 1 1 A 15 15 CYS C C 15 176.848 174.443 2.405 1
1 102 . 6 1 1 A 16 16 ASP N N 16 115.181 127.076 -11.895 1
1 103 . 6 1 1 A 16 16 ASP H H 16 9.321 9.146 0.175 1
1 104 . 6 1 1 A 16 16 ASP CA C 16 56.333 55.855 0.478 1
1 105 . 6 1 1 A 16 16 ASP HA H 16 4.447 4.611 -0.164 1
1 106 . 6 1 1 A 16 16 ASP CB C 16 40.579 41.590 -1.011 1
1 109 . 6 1 1 A 16 16 ASP C C 16 175.969 177.976 -2.007 1
1 110 . 6 1 1 A 17 17 VAL N N 17 121.861 119.423 2.438 1
1 111 . 6 1 1 A 17 17 VAL H H 17 8.757 7.762 0.995 1
1 112 . 6 1 1 A 17 17 VAL CA C 17 65.159 66.737 -1.578 1
1 113 . 6 1 1 A 17 17 VAL HA H 17 3.797 3.429 0.368 1
1 114 . 6 1 1 A 17 17 VAL CB C 17 32.936 31.236 1.700 1
1 124 . 6 1 1 A 17 17 VAL C C 17 177.154 177.685 -0.531 1
1 125 . 6 1 1 A 18 18 CYS N N 18 115.378 114.876 0.502 1
1 126 . 6 1 1 A 18 18 CYS H H 18 8.044 7.347 0.697 1
1 127 . 6 1 1 A 18 18 CYS CA C 18 58.172 59.558 -1.386 1
1 128 . 6 1 1 A 18 18 CYS HA H 18 5.163 4.606 0.557 1
1 129 . 6 1 1 A 18 18 CYS CB C 18 32.784 29.771 3.013 1
1 132 . 6 1 1 A 18 18 CYS C C 18 176.540 175.340 1.200 1
1 133 . 6 1 1 A 19 19 GLY N N 19 113.425 110.241 3.184 1
1 134 . 6 1 1 A 19 19 GLY H H 19 8.066 8.111 -0.045 1
1 135 . 6 1 1 A 19 19 GLY CA C 19 46.336 45.405 0.931 1
1 136 . 6 1 1 A 19 19 GLY HA2 H 19 4.269 4.050 0.219 1
1 137 . 6 1 1 A 19 19 GLY HA3 H 19 3.806 4.068 -0.262 1
1 138 . 6 1 1 A 19 19 GLY C C 19 173.558 174.396 -0.838 1
1 139 . 6 1 1 A 20 20 LYS N N 20 123.276 121.749 1.527 1
1 140 . 6 1 1 A 20 20 LYS H H 20 8.018 7.871 0.147 1
1 141 . 6 1 1 A 20 20 LYS CA C 20 58.465 55.654 2.811 1
1 142 . 6 1 1 A 20 20 LYS HA H 20 3.935 4.333 -0.398 1
1 143 . 6 1 1 A 20 20 LYS CB C 20 33.640 33.550 0.090 1
1 155 . 6 1 1 A 20 20 LYS C C 20 174.303 175.501 -1.198 1
1 156 . 6 1 1 A 21 21 GLU N N 21 120.572 123.307 -2.735 1
1 157 . 6 1 1 A 21 21 GLU H H 21 7.893 8.164 -0.271 1
1 158 . 6 1 1 A 21 21 GLU CA C 21 55.071 54.705 0.366 1
1 159 . 6 1 1 A 21 21 GLU HA H 21 4.863 5.215 -0.352 1
1 160 . 6 1 1 A 21 21 GLU CB C 21 32.738 33.226 -0.488 1
1 166 . 6 1 1 A 21 21 GLU C C 21 175.442 174.830 0.612 1
1 167 . 6 1 1 A 22 22 PHE N N 22 118.232 122.993 -4.761 1
1 168 . 6 1 1 A 22 22 PHE H H 22 8.808 9.602 -0.794 1
1 169 . 6 1 1 A 22 22 PHE CA C 22 56.999 56.621 0.378 1
1 170 . 6 1 1 A 22 22 PHE HA H 22 4.879 4.998 -0.119 1
1 171 . 6 1 1 A 22 22 PHE CB C 22 43.906 43.243 0.663 1
1 184 . 6 1 1 A 22 22 PHE C C 22 175.502 175.704 -0.202 1
1 185 . 6 1 1 A 23 23 SER CA C 23 59.319 60.057 -0.738 1
1 186 . 6 1 1 A 23 23 SER HA H 23 4.872 4.585 0.287 1
1 187 . 6 1 1 A 23 23 SER CB C 23 64.471 64.585 -0.114 1
1 190 . 6 1 1 A 23 23 SER C C 23 174.157 174.587 -0.430 1
1 191 . 6 1 1 A 24 24 GLN N N 24 115.876 119.099 -3.223 1
1 192 . 6 1 1 A 24 24 GLN H H 24 7.123 7.570 -0.447 1
1 193 . 6 1 1 A 24 24 GLN CA C 24 53.975 54.605 -0.630 1
1 194 . 6 1 1 A 24 24 GLN HA H 24 4.582 4.713 -0.131 1
1 195 . 6 1 1 A 24 24 GLN CB C 24 31.867 30.471 1.396 1
1 204 . 6 1 1 A 24 24 GLN C C 24 175.839 176.657 -0.818 1
1 205 . 6 1 1 A 25 25 SER CA C 25 61.060 61.692 -0.632 1
1 206 . 6 1 1 A 25 25 SER HA H 25 3.107 4.254 -1.147 1
1 207 . 6 1 1 A 25 25 SER CB C 25 61.929 63.511 -1.582 1
1 210 . 6 1 1 A 26 26 SER CA C 26 61.019 62.255 -1.236 1
1 211 . 6 1 1 A 26 26 SER HA H 26 4.054 4.101 -0.047 1
1 212 . 6 1 1 A 26 26 SER CB C 26 61.700 62.578 -0.878 1
1 214 . 6 1 1 A 26 26 SER C C 26 176.800 176.617 0.183 1
1 215 . 6 1 1 A 27 27 HIS N N 27 120.923 119.531 1.392 1
1 216 . 6 1 1 A 27 27 HIS H H 27 6.656 8.527 -1.871 1
1 217 . 6 1 1 A 27 27 HIS CA C 27 56.877 58.973 -2.096 1
1 218 . 6 1 1 A 27 27 HIS HA H 27 4.465 4.277 0.188 1
1 219 . 6 1 1 A 27 27 HIS CB C 27 31.765 30.016 1.749 1
1 226 . 6 1 1 A 27 27 HIS C C 27 178.354 177.312 1.042 1
1 227 . 6 1 1 A 28 28 LEU N N 28 121.000 120.270 0.730 1
1 228 . 6 1 1 A 28 28 LEU H H 28 6.955 7.952 -0.997 1
1 229 . 6 1 1 A 28 28 LEU CA C 28 57.734 57.446 0.288 1
1 230 . 6 1 1 A 28 28 LEU HA H 28 3.249 2.383 0.866 1
1 231 . 6 1 1 A 28 28 LEU CB C 28 40.290 41.364 -1.074 1
1 244 . 6 1 1 A 28 28 LEU C C 28 177.380 178.287 -0.907 1
1 245 . 6 1 1 A 29 29 GLN N N 29 118.542 117.649 0.893 1
1 246 . 6 1 1 A 29 29 GLN H H 29 8.074 8.097 -0.023 1
1 247 . 6 1 1 A 29 29 GLN CA C 29 59.241 59.170 0.071 1
1 248 . 6 1 1 A 29 29 GLN HA H 29 4.078 3.806 0.272 1
1 249 . 6 1 1 A 29 29 GLN CB C 29 28.246 28.226 0.020 1
1 258 . 6 1 1 A 29 29 GLN C C 29 179.270 178.423 0.847 1
1 259 . 6 1 1 A 30 30 THR N N 30 115.381 117.181 -1.800 1
1 260 . 6 1 1 A 30 30 THR H H 30 8.023 8.307 -0.284 1
1 261 . 6 1 1 A 30 30 THR CA C 30 66.331 66.552 -0.221 1
1 262 . 6 1 1 A 30 30 THR HA H 30 3.857 3.851 0.006 1
1 263 . 6 1 1 A 30 30 THR CB C 30 68.800 68.463 0.337 1
1 269 . 6 1 1 A 30 30 THR C C 30 176.560 176.176 0.384 1
1 270 . 6 1 1 A 31 31 HIS N N 31 121.437 119.381 2.056 1
1 271 . 6 1 1 A 31 31 HIS H H 31 7.611 7.849 -0.238 1
1 272 . 6 1 1 A 31 31 HIS CA C 31 59.124 60.268 -1.144 1
1 273 . 6 1 1 A 31 31 HIS HA H 31 4.227 4.051 0.176 1
1 274 . 6 1 1 A 31 31 HIS CB C 31 28.616 29.732 -1.116 1
1 281 . 6 1 1 A 31 31 HIS C C 31 175.895 176.771 -0.876 1
1 282 . 6 1 1 A 32 32 GLN N N 32 115.030 117.104 -2.074 1
1 283 . 6 1 1 A 32 32 GLN H H 32 8.285 7.980 0.305 1
1 284 . 6 1 1 A 32 32 GLN CA C 32 59.440 58.673 0.767 1
1 285 . 6 1 1 A 32 32 GLN HA H 32 3.680 3.571 0.109 1
1 286 . 6 1 1 A 32 32 GLN CB C 32 28.287 28.215 0.072 1
1 295 . 6 1 1 A 32 32 GLN C C 32 177.393 178.320 -0.927 1
1 296 . 6 1 1 A 33 33 ARG N N 33 117.259 118.915 -1.656 1
1 297 . 6 1 1 A 33 33 ARG H H 33 7.113 8.262 -1.149 1
1 298 . 6 1 1 A 33 33 ARG CA C 33 58.407 58.397 0.010 1
1 299 . 6 1 1 A 33 33 ARG HA H 33 4.158 4.017 0.141 1
1 300 . 6 1 1 A 33 33 ARG CB C 33 29.987 29.869 0.118 1
1 309 . 6 1 1 A 33 33 ARG C C 33 178.523 177.699 0.824 1
1 310 . 6 1 1 A 34 34 VAL N N 34 116.132 116.538 -0.406 1
1 311 . 6 1 1 A 34 34 VAL H H 34 7.926 7.583 0.343 1
1 312 . 6 1 1 A 34 34 VAL CA C 34 64.005 64.946 -0.941 1
1 313 . 6 1 1 A 34 34 VAL HA H 34 3.917 3.849 0.068 1
1 314 . 6 1 1 A 34 34 VAL CB C 34 31.133 31.445 -0.312 1
1 324 . 6 1 1 A 34 34 VAL C C 34 177.246 176.988 0.258 1
1 325 . 6 1 1 A 35 35 HIS N N 35 116.613 118.738 -2.125 1
1 326 . 6 1 1 A 35 35 HIS H H 35 7.200 7.699 -0.499 1
1 327 . 6 1 1 A 35 35 HIS CA C 35 54.962 57.310 -2.348 1
1 328 . 6 1 1 A 35 35 HIS HA H 35 4.945 4.475 0.470 1
1 329 . 6 1 1 A 35 35 HIS CB C 35 28.553 31.030 -2.477 1
1 336 . 6 1 1 A 35 35 HIS C C 35 175.670 175.217 0.453 1
1 337 . 6 1 1 A 36 36 THR N N 36 112.053 115.002 -2.949 1
1 338 . 6 1 1 A 36 36 THR H H 36 7.769 7.869 -0.100 1
1 339 . 6 1 1 A 36 36 THR CA C 36 62.692 62.465 0.227 1
1 340 . 6 1 1 A 36 36 THR HA H 36 4.347 4.145 0.202 1
1 341 . 6 1 1 A 36 36 THR CB C 36 69.819 69.698 0.121 1
1 347 . 6 1 1 A 36 36 THR C C 36 175.500 174.805 0.695 1
1 348 . 6 1 1 A 37 37 GLY CA C 37 45.299 45.814 -0.515 1
1 349 . 6 1 1 A 37 37 GLY HA2 H 37 3.936 3.969 -0.033 1
1 350 . 6 1 1 A 37 37 GLY C C 37 173.971 173.727 0.244 1
1 351 . 6 1 1 A 38 38 GLU N N 38 120.577 122.377 -1.800 1
1 352 . 6 1 1 A 38 38 GLU H H 38 8.266 8.349 -0.083 1
1 353 . 6 1 1 A 38 38 GLU CA C 38 56.543 54.270 2.273 1
1 354 . 6 1 1 A 38 38 GLU HA H 38 4.272 4.818 -0.546 1
1 355 . 6 1 1 A 38 38 GLU CB C 38 30.449 32.609 -2.160 1
1 361 . 6 1 1 A 38 38 GLU C C 38 176.313 175.342 0.971 1
1 362 . 6 1 1 A 39 39 LYS N N 39 123.814 117.003 6.811 1
1 363 . 6 1 1 A 39 39 LYS H H 39 8.418 8.776 -0.358 1
1 364 . 6 1 1 A 39 39 LYS CA C 39 54.156 56.623 -2.467 1
1 365 . 6 1 1 A 39 39 LYS HA H 39 4.611 3.788 0.823 1
1 366 . 6 1 1 A 39 39 LYS CB C 39 32.558 30.162 2.396 1
1 377 . 6 1 1 A 39 39 LYS C C 39 174.459 175.251 -0.792 1
1 378 . 6 1 1 A 40 40 PRO CA C 40 63.278 62.364 0.914 1
1 379 . 6 1 1 A 40 40 PRO HA H 40 4.465 4.695 -0.230 1
1 380 . 6 1 1 A 40 40 PRO CB C 40 32.181 29.553 2.628 1
1 389 . 6 1 1 A 42 42 GLY CA C 42 44.677 44.139 0.538 1
1 390 . 6 1 1 A 42 42 GLY HA2 H 42 4.162 4.080 0.082 1
1 391 . 6 1 1 A 42 42 GLY HA3 H 42 4.112 4.081 0.031 1
1 392 . 6 1 1 A 43 43 PRO CA C 43 63.257 62.400 0.857 1
1 393 . 6 1 1 A 43 43 PRO HA H 43 4.479 4.449 0.030 1
1 394 . 6 1 1 A 43 43 PRO CB C 43 32.210 32.249 -0.039 1
1 402 . 6 1 1 A 45 45 SER CA C 45 58.380 60.587 -2.207 1
1 403 . 6 1 1 A 45 45 SER HA H 45 4.440 4.205 0.235 1
1 404 . 6 1 1 A 45 45 SER CB C 45 64.123 63.578 0.545 1
1 406 . 6 1 1 A 45 45 SER C C 45 173.895 174.815 -0.920 1
1 1 . 7 1 1 A 7 7 GLY CA C 7 45.522 46.369 -0.847 1
1 2 . 7 1 1 A 7 7 GLY HA2 H 7 3.949 3.989 -0.040 1
1 3 . 7 1 1 A 7 7 GLY C C 7 174.326 174.299 0.027 1
1 4 . 7 1 1 A 8 8 MET N N 8 119.786 120.540 -0.754 1
1 5 . 7 1 1 A 8 8 MET H H 8 8.274 8.275 -0.001 1
1 6 . 7 1 1 A 8 8 MET CA C 8 55.569 56.019 -0.450 1
1 7 . 7 1 1 A 8 8 MET HA H 8 4.511 4.752 -0.241 1
1 8 . 7 1 1 A 8 8 MET CB C 8 32.859 33.169 -0.310 1
1 18 . 7 1 1 A 8 8 MET C C 8 176.789 175.625 1.164 1
1 19 . 7 1 1 A 9 9 GLY N N 9 110.120 111.807 -1.687 1
1 20 . 7 1 1 A 9 9 GLY H H 9 8.454 8.511 -0.057 1
1 21 . 7 1 1 A 9 9 GLY CA C 9 45.277 44.432 0.845 1
1 22 . 7 1 1 A 9 9 GLY HA2 H 9 3.956 4.211 -0.255 1
1 23 . 7 1 1 A 9 9 GLY HA3 H 9 3.956 4.217 -0.261 1
1 24 . 7 1 1 A 9 9 GLY C C 9 174.007 174.471 -0.464 1
1 25 . 7 1 1 A 10 10 GLU N N 10 120.558 120.112 0.446 1
1 26 . 7 1 1 A 10 10 GLU H H 10 8.068 8.653 -0.585 1
1 27 . 7 1 1 A 10 10 GLU CA C 10 56.544 57.157 -0.613 1
1 28 . 7 1 1 A 10 10 GLU HA H 10 4.252 4.294 -0.042 1
1 29 . 7 1 1 A 10 10 GLU CB C 10 30.579 31.041 -0.462 1
1 35 . 7 1 1 A 10 10 GLU C C 10 176.309 176.300 0.009 1
1 36 . 7 1 1 A 11 11 LYS N N 11 122.155 117.116 5.039 1
1 37 . 7 1 1 A 11 11 LYS H H 11 8.398 7.673 0.725 1
1 38 . 7 1 1 A 11 11 LYS CA C 11 55.910 55.097 0.813 1
1 39 . 7 1 1 A 11 11 LYS HA H 11 4.245 4.959 -0.714 1
1 40 . 7 1 1 A 11 11 LYS CB C 11 33.017 37.492 -4.475 1
1 52 . 7 1 1 A 11 11 LYS C C 11 175.280 174.410 0.870 1
1 53 . 7 1 1 A 12 12 CYS N N 12 119.118 118.906 0.212 1
1 54 . 7 1 1 A 12 12 CYS H H 12 7.956 8.572 -0.616 1
1 55 . 7 1 1 A 12 12 CYS CA C 12 57.559 58.224 -0.665 1
1 56 . 7 1 1 A 12 12 CYS HA H 12 4.542 5.116 -0.574 1
1 57 . 7 1 1 A 12 12 CYS CB C 12 28.894 30.823 -1.929 1
1 60 . 7 1 1 A 12 12 CYS C C 12 172.990 172.967 0.023 1
1 61 . 7 1 1 A 13 13 TYR N N 13 124.152 127.384 -3.232 1
1 62 . 7 1 1 A 13 13 TYR H H 13 8.727 8.900 -0.173 1
1 63 . 7 1 1 A 13 13 TYR CA C 13 57.441 57.310 0.131 1
1 64 . 7 1 1 A 13 13 TYR HA H 13 4.601 5.088 -0.487 1
1 65 . 7 1 1 A 13 13 TYR CB C 13 39.188 38.538 0.650 1
1 76 . 7 1 1 A 13 13 TYR C C 13 174.171 174.788 -0.617 1
1 77 . 7 1 1 A 14 14 LYS N N 14 125.412 126.046 -0.634 1
1 78 . 7 1 1 A 14 14 LYS H H 14 8.727 8.860 -0.133 1
1 79 . 7 1 1 A 14 14 LYS CA C 14 54.992 54.843 0.149 1
1 80 . 7 1 1 A 14 14 LYS HA H 14 5.102 5.448 -0.346 1
1 81 . 7 1 1 A 14 14 LYS CB C 14 36.167 34.955 1.212 1
1 93 . 7 1 1 A 14 14 LYS C C 14 175.134 175.317 -0.183 1
1 94 . 7 1 1 A 15 15 CYS N N 15 127.849 125.153 2.696 1
1 95 . 7 1 1 A 15 15 CYS H H 15 9.310 9.071 0.239 1
1 96 . 7 1 1 A 15 15 CYS CA C 15 59.999 57.755 2.244 1
1 97 . 7 1 1 A 15 15 CYS HA H 15 4.533 4.715 -0.182 1
1 98 . 7 1 1 A 15 15 CYS CB C 15 29.661 27.251 2.410 1
1 101 . 7 1 1 A 15 15 CYS C C 15 176.848 174.963 1.885 1
1 102 . 7 1 1 A 16 16 ASP N N 16 115.181 126.190 -11.009 1
1 103 . 7 1 1 A 16 16 ASP H H 16 9.321 8.494 0.827 1
1 104 . 7 1 1 A 16 16 ASP CA C 16 56.333 57.676 -1.343 1
1 105 . 7 1 1 A 16 16 ASP HA H 16 4.447 4.299 0.148 1
1 106 . 7 1 1 A 16 16 ASP CB C 16 40.579 40.031 0.548 1
1 109 . 7 1 1 A 16 16 ASP C C 16 175.969 178.271 -2.302 1
1 110 . 7 1 1 A 17 17 VAL N N 17 121.861 119.641 2.220 1
1 111 . 7 1 1 A 17 17 VAL H H 17 8.757 7.748 1.009 1
1 112 . 7 1 1 A 17 17 VAL CA C 17 65.159 66.783 -1.624 1
1 113 . 7 1 1 A 17 17 VAL HA H 17 3.797 3.437 0.360 1
1 114 . 7 1 1 A 17 17 VAL CB C 17 32.936 31.286 1.650 1
1 124 . 7 1 1 A 17 17 VAL C C 17 177.154 177.698 -0.544 1
1 125 . 7 1 1 A 18 18 CYS N N 18 115.378 114.665 0.713 1
1 126 . 7 1 1 A 18 18 CYS H H 18 8.044 7.597 0.447 1
1 127 . 7 1 1 A 18 18 CYS CA C 18 58.172 59.596 -1.424 1
1 128 . 7 1 1 A 18 18 CYS HA H 18 5.163 4.594 0.569 1
1 129 . 7 1 1 A 18 18 CYS CB C 18 32.784 29.649 3.135 1
1 132 . 7 1 1 A 18 18 CYS C C 18 176.540 175.203 1.337 1
1 133 . 7 1 1 A 19 19 GLY N N 19 113.425 109.813 3.612 1
1 134 . 7 1 1 A 19 19 GLY H H 19 8.066 8.014 0.052 1
1 135 . 7 1 1 A 19 19 GLY CA C 19 46.336 45.102 1.234 1
1 136 . 7 1 1 A 19 19 GLY HA2 H 19 4.269 4.070 0.199 1
1 137 . 7 1 1 A 19 19 GLY HA3 H 19 3.806 4.080 -0.274 1
1 138 . 7 1 1 A 19 19 GLY C C 19 173.558 174.259 -0.701 1
1 139 . 7 1 1 A 20 20 LYS N N 20 123.276 119.648 3.628 1
1 140 . 7 1 1 A 20 20 LYS H H 20 8.018 7.819 0.199 1
1 141 . 7 1 1 A 20 20 LYS CA C 20 58.465 55.642 2.823 1
1 142 . 7 1 1 A 20 20 LYS HA H 20 3.935 4.360 -0.425 1
1 143 . 7 1 1 A 20 20 LYS CB C 20 33.640 34.072 -0.432 1
1 155 . 7 1 1 A 20 20 LYS C C 20 174.303 175.217 -0.914 1
1 156 . 7 1 1 A 21 21 GLU N N 21 120.572 118.618 1.954 1
1 157 . 7 1 1 A 21 21 GLU H H 21 7.893 8.156 -0.263 1
1 158 . 7 1 1 A 21 21 GLU CA C 21 55.071 54.742 0.329 1
1 159 . 7 1 1 A 21 21 GLU HA H 21 4.863 5.455 -0.592 1
1 160 . 7 1 1 A 21 21 GLU CB C 21 32.738 33.150 -0.412 1
1 166 . 7 1 1 A 21 21 GLU C C 21 175.442 174.564 0.878 1
1 167 . 7 1 1 A 22 22 PHE N N 22 118.232 122.975 -4.743 1
1 168 . 7 1 1 A 22 22 PHE H H 22 8.808 9.462 -0.654 1
1 169 . 7 1 1 A 22 22 PHE CA C 22 56.999 57.008 -0.009 1
1 170 . 7 1 1 A 22 22 PHE HA H 22 4.879 4.992 -0.113 1
1 171 . 7 1 1 A 22 22 PHE CB C 22 43.906 43.352 0.554 1
1 184 . 7 1 1 A 22 22 PHE C C 22 175.502 175.614 -0.112 1
1 185 . 7 1 1 A 23 23 SER CA C 23 59.319 60.597 -1.278 1
1 186 . 7 1 1 A 23 23 SER HA H 23 4.872 4.503 0.369 1
1 187 . 7 1 1 A 23 23 SER CB C 23 64.471 64.094 0.377 1
1 190 . 7 1 1 A 23 23 SER C C 23 174.157 174.047 0.110 1
1 191 . 7 1 1 A 24 24 GLN N N 24 115.876 119.672 -3.796 1
1 192 . 7 1 1 A 24 24 GLN H H 24 7.123 7.762 -0.639 1
1 193 . 7 1 1 A 24 24 GLN CA C 24 53.975 54.726 -0.751 1
1 194 . 7 1 1 A 24 24 GLN HA H 24 4.582 4.377 0.205 1
1 195 . 7 1 1 A 24 24 GLN CB C 24 31.867 29.537 2.330 1
1 204 . 7 1 1 A 24 24 GLN C C 24 175.839 176.567 -0.728 1
1 205 . 7 1 1 A 25 25 SER CA C 25 61.060 61.675 -0.615 1
1 206 . 7 1 1 A 25 25 SER HA H 25 3.107 3.520 -0.413 1
1 207 . 7 1 1 A 25 25 SER CB C 25 61.929 62.284 -0.355 1
1 210 . 7 1 1 A 26 26 SER CA C 26 61.019 62.501 -1.482 1
1 211 . 7 1 1 A 26 26 SER HA H 26 4.054 4.116 -0.062 1
1 212 . 7 1 1 A 26 26 SER CB C 26 61.700 63.050 -1.350 1
1 214 . 7 1 1 A 26 26 SER C C 26 176.800 176.521 0.279 1
1 215 . 7 1 1 A 27 27 HIS N N 27 120.923 119.609 1.314 1
1 216 . 7 1 1 A 27 27 HIS H H 27 6.656 7.835 -1.179 1
1 217 . 7 1 1 A 27 27 HIS CA C 27 56.877 58.663 -1.786 1
1 218 . 7 1 1 A 27 27 HIS HA H 27 4.465 4.212 0.253 1
1 219 . 7 1 1 A 27 27 HIS CB C 27 31.765 29.868 1.897 1
1 226 . 7 1 1 A 27 27 HIS C C 27 178.354 177.613 0.741 1
1 227 . 7 1 1 A 28 28 LEU N N 28 121.000 120.265 0.735 1
1 228 . 7 1 1 A 28 28 LEU H H 28 6.955 7.558 -0.603 1
1 229 . 7 1 1 A 28 28 LEU CA C 28 57.734 57.757 -0.023 1
1 230 . 7 1 1 A 28 28 LEU HA H 28 3.249 3.334 -0.085 1
1 231 . 7 1 1 A 28 28 LEU CB C 28 40.290 41.706 -1.416 1
1 244 . 7 1 1 A 28 28 LEU C C 28 177.380 178.572 -1.192 1
1 245 . 7 1 1 A 29 29 GLN N N 29 118.542 119.715 -1.173 1
1 246 . 7 1 1 A 29 29 GLN H H 29 8.074 8.169 -0.095 1
1 247 . 7 1 1 A 29 29 GLN CA C 29 59.241 58.621 0.620 1
1 248 . 7 1 1 A 29 29 GLN HA H 29 4.078 4.006 0.072 1
1 249 . 7 1 1 A 29 29 GLN CB C 29 28.246 28.363 -0.117 1
1 258 . 7 1 1 A 29 29 GLN C C 29 179.270 178.586 0.684 1
1 259 . 7 1 1 A 30 30 THR N N 30 115.381 118.120 -2.739 1
1 260 . 7 1 1 A 30 30 THR H H 30 8.023 8.333 -0.310 1
1 261 . 7 1 1 A 30 30 THR CA C 30 66.331 66.466 -0.135 1
1 262 . 7 1 1 A 30 30 THR HA H 30 3.857 3.933 -0.076 1
1 263 . 7 1 1 A 30 30 THR CB C 30 68.800 68.262 0.538 1
1 269 . 7 1 1 A 30 30 THR C C 30 176.560 176.580 -0.020 1
1 270 . 7 1 1 A 31 31 HIS N N 31 121.437 121.633 -0.196 1
1 271 . 7 1 1 A 31 31 HIS H H 31 7.611 7.674 -0.063 1
1 272 . 7 1 1 A 31 31 HIS CA C 31 59.124 59.981 -0.857 1
1 273 . 7 1 1 A 31 31 HIS HA H 31 4.227 4.207 0.020 1
1 274 . 7 1 1 A 31 31 HIS CB C 31 28.616 29.693 -1.077 1
1 281 . 7 1 1 A 31 31 HIS C C 31 175.895 176.846 -0.951 1
1 282 . 7 1 1 A 32 32 GLN N N 32 115.030 117.090 -2.060 1
1 283 . 7 1 1 A 32 32 GLN H H 32 8.285 8.546 -0.261 1
1 284 . 7 1 1 A 32 32 GLN CA C 32 59.440 59.080 0.360 1
1 285 . 7 1 1 A 32 32 GLN HA H 32 3.680 3.651 0.029 1
1 286 . 7 1 1 A 32 32 GLN CB C 32 28.287 28.210 0.077 1
1 295 . 7 1 1 A 32 32 GLN C C 32 177.393 178.385 -0.992 1
1 296 . 7 1 1 A 33 33 ARG N N 33 117.259 120.311 -3.052 1
1 297 . 7 1 1 A 33 33 ARG H H 33 7.113 8.068 -0.955 1
1 298 . 7 1 1 A 33 33 ARG CA C 33 58.407 58.945 -0.538 1
1 299 . 7 1 1 A 33 33 ARG HA H 33 4.158 3.913 0.245 1
1 300 . 7 1 1 A 33 33 ARG CB C 33 29.987 29.851 0.136 1
1 309 . 7 1 1 A 33 33 ARG C C 33 178.523 178.485 0.038 1
1 310 . 7 1 1 A 34 34 VAL N N 34 116.132 117.065 -0.933 1
1 311 . 7 1 1 A 34 34 VAL H H 34 7.926 7.950 -0.024 1
1 312 . 7 1 1 A 34 34 VAL CA C 34 64.005 65.300 -1.295 1
1 313 . 7 1 1 A 34 34 VAL HA H 34 3.917 3.690 0.227 1
1 314 . 7 1 1 A 34 34 VAL CB C 34 31.133 31.102 0.031 1
1 324 . 7 1 1 A 34 34 VAL C C 34 177.246 176.934 0.312 1
1 325 . 7 1 1 A 35 35 HIS N N 35 116.613 119.705 -3.092 1
1 326 . 7 1 1 A 35 35 HIS H H 35 7.200 7.719 -0.519 1
1 327 . 7 1 1 A 35 35 HIS CA C 35 54.962 55.599 -0.637 1
1 328 . 7 1 1 A 35 35 HIS HA H 35 4.945 4.608 0.337 1
1 329 . 7 1 1 A 35 35 HIS CB C 35 28.553 29.216 -0.663 1
1 336 . 7 1 1 A 35 35 HIS C C 35 175.670 174.478 1.192 1
1 337 . 7 1 1 A 36 36 THR N N 36 112.053 113.963 -1.910 1
1 338 . 7 1 1 A 36 36 THR H H 36 7.769 7.471 0.298 1
1 339 . 7 1 1 A 36 36 THR CA C 36 62.692 60.786 1.906 1
1 340 . 7 1 1 A 36 36 THR HA H 36 4.347 4.558 -0.211 1
1 341 . 7 1 1 A 36 36 THR CB C 36 69.819 70.485 -0.666 1
1 347 . 7 1 1 A 36 36 THR C C 36 175.500 173.355 2.145 1
1 348 . 7 1 1 A 37 37 GLY CA C 37 45.299 44.941 0.358 1
1 349 . 7 1 1 A 37 37 GLY HA2 H 37 3.936 4.064 -0.128 1
1 350 . 7 1 1 A 37 37 GLY C C 37 173.971 172.917 1.054 1
1 351 . 7 1 1 A 38 38 GLU N N 38 120.577 122.617 -2.040 1
1 352 . 7 1 1 A 38 38 GLU H H 38 8.266 8.356 -0.090 1
1 353 . 7 1 1 A 38 38 GLU CA C 38 56.543 55.941 0.602 1
1 354 . 7 1 1 A 38 38 GLU HA H 38 4.272 4.755 -0.483 1
1 355 . 7 1 1 A 38 38 GLU CB C 38 30.449 32.524 -2.075 1
1 361 . 7 1 1 A 38 38 GLU C C 38 176.313 175.528 0.785 1
1 362 . 7 1 1 A 39 39 LYS N N 39 123.814 123.662 0.152 1
1 363 . 7 1 1 A 39 39 LYS H H 39 8.418 8.667 -0.249 1
1 364 . 7 1 1 A 39 39 LYS CA C 39 54.156 56.848 -2.692 1
1 365 . 7 1 1 A 39 39 LYS HA H 39 4.611 3.801 0.810 1
1 366 . 7 1 1 A 39 39 LYS CB C 39 32.558 30.357 2.201 1
1 377 . 7 1 1 A 39 39 LYS C C 39 174.459 174.855 -0.396 1
1 378 . 7 1 1 A 40 40 PRO CA C 40 63.278 62.759 0.519 1
1 379 . 7 1 1 A 40 40 PRO HA H 40 4.465 4.672 -0.207 1
1 380 . 7 1 1 A 40 40 PRO CB C 40 32.181 31.847 0.334 1
1 389 . 7 1 1 A 42 42 GLY CA C 42 44.677 46.194 -1.517 1
1 390 . 7 1 1 A 42 42 GLY HA2 H 42 4.162 4.195 -0.033 1
1 391 . 7 1 1 A 42 42 GLY HA3 H 42 4.112 4.196 -0.084 1
1 392 . 7 1 1 A 43 43 PRO CA C 43 63.257 62.241 1.016 1
1 393 . 7 1 1 A 43 43 PRO HA H 43 4.479 4.742 -0.263 1
1 394 . 7 1 1 A 43 43 PRO CB C 43 32.210 29.570 2.640 1
1 402 . 7 1 1 A 45 45 SER CA C 45 58.380 59.000 -0.620 1
1 403 . 7 1 1 A 45 45 SER HA H 45 4.440 4.134 0.306 1
1 404 . 7 1 1 A 45 45 SER CB C 45 64.123 61.507 2.616 1
1 406 . 7 1 1 A 45 45 SER C C 45 173.895 173.897 -0.002 1
1 1 . 8 1 1 A 7 7 GLY CA C 7 45.522 45.853 -0.331 1
1 2 . 8 1 1 A 7 7 GLY HA2 H 7 3.949 4.017 -0.068 1
1 3 . 8 1 1 A 7 7 GLY C C 7 174.326 174.310 0.016 1
1 4 . 8 1 1 A 8 8 MET N N 8 119.786 120.088 -0.302 1
1 5 . 8 1 1 A 8 8 MET H H 8 8.274 8.442 -0.168 1
1 6 . 8 1 1 A 8 8 MET CA C 8 55.569 58.628 -3.059 1
1 7 . 8 1 1 A 8 8 MET HA H 8 4.511 4.257 0.254 1
1 8 . 8 1 1 A 8 8 MET CB C 8 32.859 33.396 -0.537 1
1 18 . 8 1 1 A 8 8 MET C C 8 176.789 176.440 0.349 1
1 19 . 8 1 1 A 9 9 GLY N N 9 110.120 103.723 6.397 1
1 20 . 8 1 1 A 9 9 GLY H H 9 8.454 7.793 0.661 1
1 21 . 8 1 1 A 9 9 GLY CA C 9 45.277 44.538 0.739 1
1 22 . 8 1 1 A 9 9 GLY HA2 H 9 3.956 4.220 -0.264 1
1 23 . 8 1 1 A 9 9 GLY HA3 H 9 3.956 4.227 -0.271 1
1 24 . 8 1 1 A 9 9 GLY C C 9 174.007 174.606 -0.599 1
1 25 . 8 1 1 A 10 10 GLU N N 10 120.558 120.926 -0.368 1
1 26 . 8 1 1 A 10 10 GLU H H 10 8.068 8.932 -0.864 1
1 27 . 8 1 1 A 10 10 GLU CA C 10 56.544 58.494 -1.950 1
1 28 . 8 1 1 A 10 10 GLU HA H 10 4.252 4.203 0.049 1
1 29 . 8 1 1 A 10 10 GLU CB C 10 30.579 29.881 0.698 1
1 35 . 8 1 1 A 10 10 GLU C C 10 176.309 176.184 0.125 1
1 36 . 8 1 1 A 11 11 LYS N N 11 122.155 118.415 3.740 1
1 37 . 8 1 1 A 11 11 LYS H H 11 8.398 8.017 0.381 1
1 38 . 8 1 1 A 11 11 LYS CA C 11 55.910 55.107 0.803 1
1 39 . 8 1 1 A 11 11 LYS HA H 11 4.245 4.683 -0.438 1
1 40 . 8 1 1 A 11 11 LYS CB C 11 33.017 34.730 -1.713 1
1 52 . 8 1 1 A 11 11 LYS C C 11 175.280 176.451 -1.171 1
1 53 . 8 1 1 A 12 12 CYS N N 12 119.118 120.851 -1.733 1
1 54 . 8 1 1 A 12 12 CYS H H 12 7.956 8.522 -0.566 1
1 55 . 8 1 1 A 12 12 CYS CA C 12 57.559 57.657 -0.098 1
1 56 . 8 1 1 A 12 12 CYS HA H 12 4.542 4.887 -0.345 1
1 57 . 8 1 1 A 12 12 CYS CB C 12 28.894 27.703 1.191 1
1 60 . 8 1 1 A 12 12 CYS C C 12 172.990 174.852 -1.862 1
1 61 . 8 1 1 A 13 13 TYR N N 13 124.152 123.278 0.874 1
1 62 . 8 1 1 A 13 13 TYR H H 13 8.727 7.638 1.089 1
1 63 . 8 1 1 A 13 13 TYR CA C 13 57.441 59.841 -2.400 1
1 64 . 8 1 1 A 13 13 TYR HA H 13 4.601 4.519 0.082 1
1 65 . 8 1 1 A 13 13 TYR CB C 13 39.188 39.403 -0.215 1
1 76 . 8 1 1 A 13 13 TYR C C 13 174.171 175.423 -1.252 1
1 77 . 8 1 1 A 14 14 LYS N N 14 125.412 124.988 0.424 1
1 78 . 8 1 1 A 14 14 LYS H H 14 8.727 8.817 -0.090 1
1 79 . 8 1 1 A 14 14 LYS CA C 14 54.992 54.502 0.490 1
1 80 . 8 1 1 A 14 14 LYS HA H 14 5.102 5.360 -0.258 1
1 81 . 8 1 1 A 14 14 LYS CB C 14 36.167 36.214 -0.047 1
1 93 . 8 1 1 A 14 14 LYS C C 14 175.134 175.349 -0.215 1
1 94 . 8 1 1 A 15 15 CYS N N 15 127.849 124.964 2.885 1
1 95 . 8 1 1 A 15 15 CYS H H 15 9.310 9.437 -0.127 1
1 96 . 8 1 1 A 15 15 CYS CA C 15 59.999 58.263 1.736 1
1 97 . 8 1 1 A 15 15 CYS HA H 15 4.533 4.832 -0.299 1
1 98 . 8 1 1 A 15 15 CYS CB C 15 29.661 28.642 1.019 1
1 101 . 8 1 1 A 15 15 CYS C C 15 176.848 175.335 1.513 1
1 102 . 8 1 1 A 16 16 ASP N N 16 115.181 128.414 -13.233 1
1 103 . 8 1 1 A 16 16 ASP H H 16 9.321 9.063 0.258 1
1 104 . 8 1 1 A 16 16 ASP CA C 16 56.333 53.108 3.225 1
1 105 . 8 1 1 A 16 16 ASP HA H 16 4.447 4.871 -0.424 1
1 106 . 8 1 1 A 16 16 ASP CB C 16 40.579 40.345 0.234 1
1 109 . 8 1 1 A 16 16 ASP C C 16 175.969 177.064 -1.095 1
1 110 . 8 1 1 A 17 17 VAL N N 17 121.861 119.901 1.960 1
1 111 . 8 1 1 A 17 17 VAL H H 17 8.757 7.964 0.793 1
1 112 . 8 1 1 A 17 17 VAL CA C 17 65.159 63.630 1.529 1
1 113 . 8 1 1 A 17 17 VAL HA H 17 3.797 4.149 -0.352 1
1 114 . 8 1 1 A 17 17 VAL CB C 17 32.936 33.759 -0.823 1
1 124 . 8 1 1 A 17 17 VAL C C 17 177.154 177.283 -0.129 1
1 125 . 8 1 1 A 18 18 CYS N N 18 115.378 115.560 -0.182 1
1 126 . 8 1 1 A 18 18 CYS H H 18 8.044 8.037 0.007 1
1 127 . 8 1 1 A 18 18 CYS CA C 18 58.172 59.302 -1.130 1
1 128 . 8 1 1 A 18 18 CYS HA H 18 5.163 4.700 0.463 1
1 129 . 8 1 1 A 18 18 CYS CB C 18 32.784 30.197 2.587 1
1 132 . 8 1 1 A 18 18 CYS C C 18 176.540 175.517 1.023 1
1 133 . 8 1 1 A 19 19 GLY N N 19 113.425 110.009 3.416 1
1 134 . 8 1 1 A 19 19 GLY H H 19 8.066 8.299 -0.233 1
1 135 . 8 1 1 A 19 19 GLY CA C 19 46.336 45.951 0.385 1
1 136 . 8 1 1 A 19 19 GLY HA2 H 19 4.269 4.069 0.200 1
1 137 . 8 1 1 A 19 19 GLY HA3 H 19 3.806 4.079 -0.273 1
1 138 . 8 1 1 A 19 19 GLY C C 19 173.558 173.856 -0.298 1
1 139 . 8 1 1 A 20 20 LYS N N 20 123.276 120.212 3.064 1
1 140 . 8 1 1 A 20 20 LYS H H 20 8.018 7.670 0.348 1
1 141 . 8 1 1 A 20 20 LYS CA C 20 58.465 54.535 3.930 1
1 142 . 8 1 1 A 20 20 LYS HA H 20 3.935 4.825 -0.890 1
1 143 . 8 1 1 A 20 20 LYS CB C 20 33.640 36.075 -2.435 1
1 155 . 8 1 1 A 20 20 LYS C C 20 174.303 174.402 -0.099 1
1 156 . 8 1 1 A 21 21 GLU N N 21 120.572 123.052 -2.480 1
1 157 . 8 1 1 A 21 21 GLU H H 21 7.893 8.243 -0.350 1
1 158 . 8 1 1 A 21 21 GLU CA C 21 55.071 54.798 0.273 1
1 159 . 8 1 1 A 21 21 GLU HA H 21 4.863 5.492 -0.629 1
1 160 . 8 1 1 A 21 21 GLU CB C 21 32.738 33.452 -0.714 1
1 166 . 8 1 1 A 21 21 GLU C C 21 175.442 174.847 0.595 1
1 167 . 8 1 1 A 22 22 PHE N N 22 118.232 123.101 -4.869 1
1 168 . 8 1 1 A 22 22 PHE H H 22 8.808 9.463 -0.655 1
1 169 . 8 1 1 A 22 22 PHE CA C 22 56.999 56.863 0.136 1
1 170 . 8 1 1 A 22 22 PHE HA H 22 4.879 5.005 -0.126 1
1 171 . 8 1 1 A 22 22 PHE CB C 22 43.906 43.150 0.756 1
1 184 . 8 1 1 A 22 22 PHE C C 22 175.502 175.848 -0.346 1
1 185 . 8 1 1 A 23 23 SER CA C 23 59.319 60.653 -1.334 1
1 186 . 8 1 1 A 23 23 SER HA H 23 4.872 4.563 0.309 1
1 187 . 8 1 1 A 23 23 SER CB C 23 64.471 64.183 0.288 1
1 190 . 8 1 1 A 23 23 SER C C 23 174.157 173.784 0.373 1
1 191 . 8 1 1 A 24 24 GLN N N 24 115.876 118.742 -2.866 1
1 192 . 8 1 1 A 24 24 GLN H H 24 7.123 7.892 -0.769 1
1 193 . 8 1 1 A 24 24 GLN CA C 24 53.975 54.428 -0.453 1
1 194 . 8 1 1 A 24 24 GLN HA H 24 4.582 4.646 -0.064 1
1 195 . 8 1 1 A 24 24 GLN CB C 24 31.867 29.966 1.901 1
1 204 . 8 1 1 A 24 24 GLN C C 24 175.839 176.229 -0.390 1
1 205 . 8 1 1 A 25 25 SER CA C 25 61.060 60.886 0.174 1
1 206 . 8 1 1 A 25 25 SER HA H 25 3.107 2.595 0.512 1
1 207 . 8 1 1 A 25 25 SER CB C 25 61.929 62.656 -0.727 1
1 210 . 8 1 1 A 26 26 SER CA C 26 61.019 62.451 -1.432 1
1 211 . 8 1 1 A 26 26 SER HA H 26 4.054 4.168 -0.114 1
1 212 . 8 1 1 A 26 26 SER CB C 26 61.700 63.007 -1.307 1
1 214 . 8 1 1 A 26 26 SER C C 26 176.800 176.499 0.301 1
1 215 . 8 1 1 A 27 27 HIS N N 27 120.923 119.473 1.450 1
1 216 . 8 1 1 A 27 27 HIS H H 27 6.656 7.876 -1.220 1
1 217 . 8 1 1 A 27 27 HIS CA C 27 56.877 58.473 -1.596 1
1 218 . 8 1 1 A 27 27 HIS HA H 27 4.465 4.309 0.156 1
1 219 . 8 1 1 A 27 27 HIS CB C 27 31.765 29.627 2.138 1
1 226 . 8 1 1 A 27 27 HIS C C 27 178.354 177.093 1.261 1
1 227 . 8 1 1 A 28 28 LEU N N 28 121.000 120.373 0.627 1
1 228 . 8 1 1 A 28 28 LEU H H 28 6.955 7.557 -0.602 1
1 229 . 8 1 1 A 28 28 LEU CA C 28 57.734 57.247 0.487 1
1 230 . 8 1 1 A 28 28 LEU HA H 28 3.249 3.014 0.235 1
1 231 . 8 1 1 A 28 28 LEU CB C 28 40.290 41.715 -1.425 1
1 244 . 8 1 1 A 28 28 LEU C C 28 177.380 178.208 -0.828 1
1 245 . 8 1 1 A 29 29 GLN N N 29 118.542 116.683 1.859 1
1 246 . 8 1 1 A 29 29 GLN H H 29 8.074 7.905 0.169 1
1 247 . 8 1 1 A 29 29 GLN CA C 29 59.241 58.116 1.125 1
1 248 . 8 1 1 A 29 29 GLN HA H 29 4.078 4.030 0.048 1
1 249 . 8 1 1 A 29 29 GLN CB C 29 28.246 28.469 -0.223 1
1 258 . 8 1 1 A 29 29 GLN C C 29 179.270 177.666 1.604 1
1 259 . 8 1 1 A 30 30 THR N N 30 115.381 116.832 -1.451 1
1 260 . 8 1 1 A 30 30 THR H H 30 8.023 7.964 0.059 1
1 261 . 8 1 1 A 30 30 THR CA C 30 66.331 66.719 -0.388 1
1 262 . 8 1 1 A 30 30 THR HA H 30 3.857 3.886 -0.029 1
1 263 . 8 1 1 A 30 30 THR CB C 30 68.800 68.418 0.382 1
1 269 . 8 1 1 A 30 30 THR C C 30 176.560 176.143 0.417 1
1 270 . 8 1 1 A 31 31 HIS N N 31 121.437 120.955 0.482 1
1 271 . 8 1 1 A 31 31 HIS H H 31 7.611 7.701 -0.090 1
1 272 . 8 1 1 A 31 31 HIS CA C 31 59.124 60.385 -1.261 1
1 273 . 8 1 1 A 31 31 HIS HA H 31 4.227 4.115 0.112 1
1 274 . 8 1 1 A 31 31 HIS CB C 31 28.616 29.270 -0.654 1
1 281 . 8 1 1 A 31 31 HIS C C 31 175.895 177.361 -1.466 1
1 282 . 8 1 1 A 32 32 GLN N N 32 115.030 117.661 -2.631 1
1 283 . 8 1 1 A 32 32 GLN H H 32 8.285 8.364 -0.079 1
1 284 . 8 1 1 A 32 32 GLN CA C 32 59.440 58.921 0.519 1
1 285 . 8 1 1 A 32 32 GLN HA H 32 3.680 3.774 -0.094 1
1 286 . 8 1 1 A 32 32 GLN CB C 32 28.287 28.213 0.074 1
1 295 . 8 1 1 A 32 32 GLN C C 32 177.393 178.397 -1.004 1
1 296 . 8 1 1 A 33 33 ARG N N 33 117.259 119.723 -2.464 1
1 297 . 8 1 1 A 33 33 ARG H H 33 7.113 7.740 -0.627 1
1 298 . 8 1 1 A 33 33 ARG CA C 33 58.407 58.857 -0.450 1
1 299 . 8 1 1 A 33 33 ARG HA H 33 4.158 4.313 -0.155 1
1 300 . 8 1 1 A 33 33 ARG CB C 33 29.987 29.999 -0.012 1
1 309 . 8 1 1 A 33 33 ARG C C 33 178.523 178.747 -0.224 1
1 310 . 8 1 1 A 34 34 VAL N N 34 116.132 116.699 -0.567 1
1 311 . 8 1 1 A 34 34 VAL H H 34 7.926 7.615 0.311 1
1 312 . 8 1 1 A 34 34 VAL CA C 34 64.005 64.189 -0.184 1
1 313 . 8 1 1 A 34 34 VAL HA H 34 3.917 3.871 0.046 1
1 314 . 8 1 1 A 34 34 VAL CB C 34 31.133 31.122 0.011 1
1 324 . 8 1 1 A 34 34 VAL C C 34 177.246 176.435 0.811 1
1 325 . 8 1 1 A 35 35 HIS N N 35 116.613 118.561 -1.948 1
1 326 . 8 1 1 A 35 35 HIS H H 35 7.200 8.062 -0.862 1
1 327 . 8 1 1 A 35 35 HIS CA C 35 54.962 56.589 -1.627 1
1 328 . 8 1 1 A 35 35 HIS HA H 35 4.945 4.706 0.239 1
1 329 . 8 1 1 A 35 35 HIS CB C 35 28.553 31.480 -2.927 1
1 336 . 8 1 1 A 35 35 HIS C C 35 175.670 175.145 0.525 1
1 337 . 8 1 1 A 36 36 THR N N 36 112.053 112.228 -0.175 1
1 338 . 8 1 1 A 36 36 THR H H 36 7.769 7.439 0.330 1
1 339 . 8 1 1 A 36 36 THR CA C 36 62.692 62.833 -0.141 1
1 340 . 8 1 1 A 36 36 THR HA H 36 4.347 4.160 0.187 1
1 341 . 8 1 1 A 36 36 THR CB C 36 69.819 68.717 1.102 1
1 347 . 8 1 1 A 36 36 THR C C 36 175.500 175.077 0.423 1
1 348 . 8 1 1 A 37 37 GLY CA C 37 45.299 45.141 0.158 1
1 349 . 8 1 1 A 37 37 GLY HA2 H 37 3.936 3.988 -0.052 1
1 350 . 8 1 1 A 37 37 GLY C C 37 173.971 174.555 -0.584 1
1 351 . 8 1 1 A 38 38 GLU N N 38 120.577 121.208 -0.631 1
1 352 . 8 1 1 A 38 38 GLU H H 38 8.266 7.619 0.647 1
1 353 . 8 1 1 A 38 38 GLU CA C 38 56.543 56.722 -0.179 1
1 354 . 8 1 1 A 38 38 GLU HA H 38 4.272 4.331 -0.059 1
1 355 . 8 1 1 A 38 38 GLU CB C 38 30.449 30.480 -0.031 1
1 361 . 8 1 1 A 38 38 GLU C C 38 176.313 177.391 -1.078 1
1 362 . 8 1 1 A 39 39 LYS N N 39 123.814 123.143 0.671 1
1 363 . 8 1 1 A 39 39 LYS H H 39 8.418 8.876 -0.458 1
1 364 . 8 1 1 A 39 39 LYS CA C 39 54.156 57.123 -2.967 1
1 365 . 8 1 1 A 39 39 LYS HA H 39 4.611 4.030 0.581 1
1 366 . 8 1 1 A 39 39 LYS CB C 39 32.558 30.194 2.364 1
1 377 . 8 1 1 A 39 39 LYS C C 39 174.459 176.193 -1.734 1
1 378 . 8 1 1 A 40 40 PRO CA C 40 63.278 62.565 0.713 1
1 379 . 8 1 1 A 40 40 PRO HA H 40 4.465 4.569 -0.104 1
1 380 . 8 1 1 A 40 40 PRO CB C 40 32.181 32.506 -0.325 1
1 389 . 8 1 1 A 42 42 GLY CA C 42 44.677 46.894 -2.217 1
1 390 . 8 1 1 A 42 42 GLY HA2 H 42 4.162 3.911 0.251 1
1 391 . 8 1 1 A 42 42 GLY HA3 H 42 4.112 3.911 0.201 1
1 392 . 8 1 1 A 43 43 PRO CA C 43 63.257 63.693 -0.436 1
1 393 . 8 1 1 A 43 43 PRO HA H 43 4.479 4.534 -0.055 1
1 394 . 8 1 1 A 43 43 PRO CB C 43 32.210 32.291 -0.081 1
1 402 . 8 1 1 A 45 45 SER CA C 45 58.380 57.167 1.213 1
1 403 . 8 1 1 A 45 45 SER HA H 45 4.440 5.181 -0.741 1
1 404 . 8 1 1 A 45 45 SER CB C 45 64.123 63.797 0.326 1
1 406 . 8 1 1 A 45 45 SER C C 45 173.895 174.864 -0.969 1
1 1 . 9 1 1 A 7 7 GLY CA C 7 45.522 44.305 1.217 1
1 2 . 9 1 1 A 7 7 GLY HA2 H 7 3.949 4.148 -0.199 1
1 3 . 9 1 1 A 7 7 GLY C C 7 174.326 174.210 0.116 1
1 4 . 9 1 1 A 8 8 MET N N 8 119.786 118.206 1.580 1
1 5 . 9 1 1 A 8 8 MET H H 8 8.274 8.725 -0.451 1
1 6 . 9 1 1 A 8 8 MET CA C 8 55.569 56.816 -1.247 1
1 7 . 9 1 1 A 8 8 MET HA H 8 4.511 4.017 0.494 1
1 8 . 9 1 1 A 8 8 MET CB C 8 32.859 31.012 1.847 1
1 18 . 9 1 1 A 8 8 MET C C 8 176.789 176.154 0.635 1
1 19 . 9 1 1 A 9 9 GLY N N 9 110.120 105.925 4.195 1
1 20 . 9 1 1 A 9 9 GLY H H 9 8.454 8.168 0.286 1
1 21 . 9 1 1 A 9 9 GLY CA C 9 45.277 46.494 -1.217 1
1 22 . 9 1 1 A 9 9 GLY HA2 H 9 3.956 3.918 0.038 1
1 23 . 9 1 1 A 9 9 GLY HA3 H 9 3.956 3.921 0.035 1
1 24 . 9 1 1 A 9 9 GLY C C 9 174.007 173.417 0.590 1
1 25 . 9 1 1 A 10 10 GLU N N 10 120.558 123.534 -2.976 1
1 26 . 9 1 1 A 10 10 GLU H H 10 8.068 8.280 -0.212 1
1 27 . 9 1 1 A 10 10 GLU CA C 10 56.544 55.717 0.827 1
1 28 . 9 1 1 A 10 10 GLU HA H 10 4.252 4.722 -0.470 1
1 29 . 9 1 1 A 10 10 GLU CB C 10 30.579 30.865 -0.286 1
1 35 . 9 1 1 A 10 10 GLU C C 10 176.309 176.132 0.177 1
1 36 . 9 1 1 A 11 11 LYS N N 11 122.155 121.946 0.209 1
1 37 . 9 1 1 A 11 11 LYS H H 11 8.398 8.932 -0.534 1
1 38 . 9 1 1 A 11 11 LYS CA C 11 55.910 54.664 1.246 1
1 39 . 9 1 1 A 11 11 LYS HA H 11 4.245 4.953 -0.708 1
1 40 . 9 1 1 A 11 11 LYS CB C 11 33.017 35.194 -2.177 1
1 52 . 9 1 1 A 11 11 LYS C C 11 175.280 175.193 0.087 1
1 53 . 9 1 1 A 12 12 CYS N N 12 119.118 120.197 -1.079 1
1 54 . 9 1 1 A 12 12 CYS H H 12 7.956 8.865 -0.909 1
1 55 . 9 1 1 A 12 12 CYS CA C 12 57.559 57.687 -0.128 1
1 56 . 9 1 1 A 12 12 CYS HA H 12 4.542 4.948 -0.406 1
1 57 . 9 1 1 A 12 12 CYS CB C 12 28.894 28.608 0.286 1
1 60 . 9 1 1 A 12 12 CYS C C 12 172.990 173.547 -0.557 1
1 61 . 9 1 1 A 13 13 TYR N N 13 124.152 125.951 -1.799 1
1 62 . 9 1 1 A 13 13 TYR H H 13 8.727 8.600 0.127 1
1 63 . 9 1 1 A 13 13 TYR CA C 13 57.441 59.342 -1.901 1
1 64 . 9 1 1 A 13 13 TYR HA H 13 4.601 4.601 0.000 1
1 65 . 9 1 1 A 13 13 TYR CB C 13 39.188 38.709 0.479 1
1 76 . 9 1 1 A 13 13 TYR C C 13 174.171 175.363 -1.192 1
1 77 . 9 1 1 A 14 14 LYS N N 14 125.412 125.486 -0.074 1
1 78 . 9 1 1 A 14 14 LYS H H 14 8.727 8.807 -0.080 1
1 79 . 9 1 1 A 14 14 LYS CA C 14 54.992 54.622 0.370 1
1 80 . 9 1 1 A 14 14 LYS HA H 14 5.102 5.585 -0.483 1
1 81 . 9 1 1 A 14 14 LYS CB C 14 36.167 36.043 0.124 1
1 93 . 9 1 1 A 14 14 LYS C C 14 175.134 175.234 -0.100 1
1 94 . 9 1 1 A 15 15 CYS N N 15 127.849 124.941 2.908 1
1 95 . 9 1 1 A 15 15 CYS H H 15 9.310 9.357 -0.047 1
1 96 . 9 1 1 A 15 15 CYS CA C 15 59.999 59.817 0.182 1
1 97 . 9 1 1 A 15 15 CYS HA H 15 4.533 4.655 -0.122 1
1 98 . 9 1 1 A 15 15 CYS CB C 15 29.661 28.351 1.310 1
1 101 . 9 1 1 A 15 15 CYS C C 15 176.848 174.411 2.437 1
1 102 . 9 1 1 A 16 16 ASP N N 16 115.181 126.398 -11.217 1
1 103 . 9 1 1 A 16 16 ASP H H 16 9.321 8.935 0.386 1
1 104 . 9 1 1 A 16 16 ASP CA C 16 56.333 55.375 0.958 1
1 105 . 9 1 1 A 16 16 ASP HA H 16 4.447 4.701 -0.254 1
1 106 . 9 1 1 A 16 16 ASP CB C 16 40.579 41.512 -0.933 1
1 109 . 9 1 1 A 16 16 ASP C C 16 175.969 177.933 -1.964 1
1 110 . 9 1 1 A 17 17 VAL N N 17 121.861 120.866 0.995 1
1 111 . 9 1 1 A 17 17 VAL H H 17 8.757 7.893 0.864 1
1 112 . 9 1 1 A 17 17 VAL CA C 17 65.159 66.823 -1.664 1
1 113 . 9 1 1 A 17 17 VAL HA H 17 3.797 3.418 0.379 1
1 114 . 9 1 1 A 17 17 VAL CB C 17 32.936 31.182 1.754 1
1 124 . 9 1 1 A 17 17 VAL C C 17 177.154 177.733 -0.579 1
1 125 . 9 1 1 A 18 18 CYS N N 18 115.378 114.715 0.663 1
1 126 . 9 1 1 A 18 18 CYS H H 18 8.044 7.313 0.731 1
1 127 . 9 1 1 A 18 18 CYS CA C 18 58.172 59.745 -1.573 1
1 128 . 9 1 1 A 18 18 CYS HA H 18 5.163 4.603 0.560 1
1 129 . 9 1 1 A 18 18 CYS CB C 18 32.784 29.612 3.172 1
1 132 . 9 1 1 A 18 18 CYS C C 18 176.540 175.307 1.233 1
1 133 . 9 1 1 A 19 19 GLY N N 19 113.425 110.053 3.372 1
1 134 . 9 1 1 A 19 19 GLY H H 19 8.066 8.147 -0.081 1
1 135 . 9 1 1 A 19 19 GLY CA C 19 46.336 45.960 0.376 1
1 136 . 9 1 1 A 19 19 GLY HA2 H 19 4.269 4.020 0.249 1
1 137 . 9 1 1 A 19 19 GLY HA3 H 19 3.806 4.033 -0.227 1
1 138 . 9 1 1 A 19 19 GLY C C 19 173.558 174.033 -0.475 1
1 139 . 9 1 1 A 20 20 LYS N N 20 123.276 120.274 3.002 1
1 140 . 9 1 1 A 20 20 LYS H H 20 8.018 7.707 0.311 1
1 141 . 9 1 1 A 20 20 LYS CA C 20 58.465 54.451 4.014 1
1 142 . 9 1 1 A 20 20 LYS HA H 20 3.935 4.725 -0.790 1
1 143 . 9 1 1 A 20 20 LYS CB C 20 33.640 35.457 -1.817 1
1 155 . 9 1 1 A 20 20 LYS C C 20 174.303 174.616 -0.313 1
1 156 . 9 1 1 A 21 21 GLU N N 21 120.572 124.497 -3.925 1
1 157 . 9 1 1 A 21 21 GLU H H 21 7.893 8.031 -0.138 1
1 158 . 9 1 1 A 21 21 GLU CA C 21 55.071 54.405 0.666 1
1 159 . 9 1 1 A 21 21 GLU HA H 21 4.863 5.076 -0.213 1
1 160 . 9 1 1 A 21 21 GLU CB C 21 32.738 33.512 -0.774 1
1 166 . 9 1 1 A 21 21 GLU C C 21 175.442 174.816 0.626 1
1 167 . 9 1 1 A 22 22 PHE N N 22 118.232 122.014 -3.782 1
1 168 . 9 1 1 A 22 22 PHE H H 22 8.808 8.924 -0.116 1
1 169 . 9 1 1 A 22 22 PHE CA C 22 56.999 56.563 0.436 1
1 170 . 9 1 1 A 22 22 PHE HA H 22 4.879 5.098 -0.219 1
1 171 . 9 1 1 A 22 22 PHE CB C 22 43.906 43.816 0.090 1
1 184 . 9 1 1 A 22 22 PHE C C 22 175.502 175.781 -0.279 1
1 185 . 9 1 1 A 23 23 SER CA C 23 59.319 59.997 -0.678 1
1 186 . 9 1 1 A 23 23 SER HA H 23 4.872 4.516 0.356 1
1 187 . 9 1 1 A 23 23 SER CB C 23 64.471 64.438 0.033 1
1 190 . 9 1 1 A 23 23 SER C C 23 174.157 173.236 0.921 1
1 191 . 9 1 1 A 24 24 GLN N N 24 115.876 118.325 -2.449 1
1 192 . 9 1 1 A 24 24 GLN H H 24 7.123 7.433 -0.310 1
1 193 . 9 1 1 A 24 24 GLN CA C 24 53.975 54.274 -0.299 1
1 194 . 9 1 1 A 24 24 GLN HA H 24 4.582 4.620 -0.038 1
1 195 . 9 1 1 A 24 24 GLN CB C 24 31.867 30.284 1.583 1
1 204 . 9 1 1 A 24 24 GLN C C 24 175.839 176.424 -0.585 1
1 205 . 9 1 1 A 25 25 SER CA C 25 61.060 61.382 -0.322 1
1 206 . 9 1 1 A 25 25 SER HA H 25 3.107 3.025 0.082 1
1 207 . 9 1 1 A 25 25 SER CB C 25 61.929 62.207 -0.278 1
1 210 . 9 1 1 A 26 26 SER CA C 26 61.019 61.452 -0.433 1
1 211 . 9 1 1 A 26 26 SER HA H 26 4.054 4.098 -0.044 1
1 212 . 9 1 1 A 26 26 SER CB C 26 61.700 62.447 -0.747 1
1 214 . 9 1 1 A 26 26 SER C C 26 176.800 177.034 -0.234 1
1 215 . 9 1 1 A 27 27 HIS N N 27 120.923 118.514 2.409 1
1 216 . 9 1 1 A 27 27 HIS H H 27 6.656 8.295 -1.639 1
1 217 . 9 1 1 A 27 27 HIS CA C 27 56.877 59.147 -2.270 1
1 218 . 9 1 1 A 27 27 HIS HA H 27 4.465 4.178 0.287 1
1 219 . 9 1 1 A 27 27 HIS CB C 27 31.765 30.069 1.696 1
1 226 . 9 1 1 A 27 27 HIS C C 27 178.354 177.138 1.216 1
1 227 . 9 1 1 A 28 28 LEU N N 28 121.000 120.218 0.782 1
1 228 . 9 1 1 A 28 28 LEU H H 28 6.955 7.244 -0.289 1
1 229 . 9 1 1 A 28 28 LEU CA C 28 57.734 57.559 0.175 1
1 230 . 9 1 1 A 28 28 LEU HA H 28 3.249 2.735 0.514 1
1 231 . 9 1 1 A 28 28 LEU CB C 28 40.290 41.047 -0.757 1
1 244 . 9 1 1 A 28 28 LEU C C 28 177.380 178.380 -1.000 1
1 245 . 9 1 1 A 29 29 GLN N N 29 118.542 117.799 0.743 1
1 246 . 9 1 1 A 29 29 GLN H H 29 8.074 7.975 0.099 1
1 247 . 9 1 1 A 29 29 GLN CA C 29 59.241 59.026 0.215 1
1 248 . 9 1 1 A 29 29 GLN HA H 29 4.078 3.890 0.188 1
1 249 . 9 1 1 A 29 29 GLN CB C 29 28.246 28.123 0.123 1
1 258 . 9 1 1 A 29 29 GLN C C 29 179.270 178.648 0.622 1
1 259 . 9 1 1 A 30 30 THR N N 30 115.381 117.695 -2.314 1
1 260 . 9 1 1 A 30 30 THR H H 30 8.023 7.888 0.135 1
1 261 . 9 1 1 A 30 30 THR CA C 30 66.331 66.747 -0.416 1
1 262 . 9 1 1 A 30 30 THR HA H 30 3.857 3.959 -0.102 1
1 263 . 9 1 1 A 30 30 THR CB C 30 68.800 68.268 0.532 1
1 269 . 9 1 1 A 30 30 THR C C 30 176.560 176.276 0.284 1
1 270 . 9 1 1 A 31 31 HIS N N 31 121.437 120.841 0.596 1
1 271 . 9 1 1 A 31 31 HIS H H 31 7.611 8.000 -0.389 1
1 272 . 9 1 1 A 31 31 HIS CA C 31 59.124 60.486 -1.362 1
1 273 . 9 1 1 A 31 31 HIS HA H 31 4.227 4.162 0.065 1
1 274 . 9 1 1 A 31 31 HIS CB C 31 28.616 29.555 -0.939 1
1 281 . 9 1 1 A 31 31 HIS C C 31 175.895 176.809 -0.914 1
1 282 . 9 1 1 A 32 32 GLN N N 32 115.030 117.014 -1.984 1
1 283 . 9 1 1 A 32 32 GLN H H 32 8.285 8.496 -0.211 1
1 284 . 9 1 1 A 32 32 GLN CA C 32 59.440 59.007 0.433 1
1 285 . 9 1 1 A 32 32 GLN HA H 32 3.680 3.745 -0.065 1
1 286 . 9 1 1 A 32 32 GLN CB C 32 28.287 28.325 -0.038 1
1 295 . 9 1 1 A 32 32 GLN C C 32 177.393 178.379 -0.986 1
1 296 . 9 1 1 A 33 33 ARG N N 33 117.259 120.432 -3.173 1
1 297 . 9 1 1 A 33 33 ARG H H 33 7.113 8.105 -0.992 1
1 298 . 9 1 1 A 33 33 ARG CA C 33 58.407 59.043 -0.636 1
1 299 . 9 1 1 A 33 33 ARG HA H 33 4.158 3.969 0.189 1
1 300 . 9 1 1 A 33 33 ARG CB C 33 29.987 29.675 0.312 1
1 309 . 9 1 1 A 33 33 ARG C C 33 178.523 178.949 -0.426 1
1 310 . 9 1 1 A 34 34 VAL N N 34 116.132 116.856 -0.724 1
1 311 . 9 1 1 A 34 34 VAL H H 34 7.926 7.886 0.040 1
1 312 . 9 1 1 A 34 34 VAL CA C 34 64.005 64.205 -0.200 1
1 313 . 9 1 1 A 34 34 VAL HA H 34 3.917 3.815 0.102 1
1 314 . 9 1 1 A 34 34 VAL CB C 34 31.133 31.085 0.048 1
1 324 . 9 1 1 A 34 34 VAL C C 34 177.246 176.560 0.686 1
1 325 . 9 1 1 A 35 35 HIS N N 35 116.613 119.086 -2.473 1
1 326 . 9 1 1 A 35 35 HIS H H 35 7.200 8.128 -0.928 1
1 327 . 9 1 1 A 35 35 HIS CA C 35 54.962 55.612 -0.650 1
1 328 . 9 1 1 A 35 35 HIS HA H 35 4.945 4.834 0.111 1
1 329 . 9 1 1 A 35 35 HIS CB C 35 28.553 30.170 -1.617 1
1 336 . 9 1 1 A 35 35 HIS C C 35 175.670 174.725 0.945 1
1 337 . 9 1 1 A 36 36 THR N N 36 112.053 109.635 2.418 1
1 338 . 9 1 1 A 36 36 THR H H 36 7.769 7.602 0.167 1
1 339 . 9 1 1 A 36 36 THR CA C 36 62.692 59.889 2.803 1
1 340 . 9 1 1 A 36 36 THR HA H 36 4.347 4.695 -0.348 1
1 341 . 9 1 1 A 36 36 THR CB C 36 69.819 70.894 -1.075 1
1 347 . 9 1 1 A 36 36 THR C C 36 175.500 174.297 1.203 1
1 348 . 9 1 1 A 37 37 GLY CA C 37 45.299 45.937 -0.638 1
1 349 . 9 1 1 A 37 37 GLY HA2 H 37 3.936 4.077 -0.141 1
1 350 . 9 1 1 A 37 37 GLY C C 37 173.971 173.931 0.040 1
1 351 . 9 1 1 A 38 38 GLU N N 38 120.577 121.243 -0.666 1
1 352 . 9 1 1 A 38 38 GLU H H 38 8.266 8.001 0.265 1
1 353 . 9 1 1 A 38 38 GLU CA C 38 56.543 56.141 0.402 1
1 354 . 9 1 1 A 38 38 GLU HA H 38 4.272 4.229 0.043 1
1 355 . 9 1 1 A 38 38 GLU CB C 38 30.449 30.497 -0.048 1
1 361 . 9 1 1 A 38 38 GLU C C 38 176.313 177.038 -0.725 1
1 362 . 9 1 1 A 39 39 LYS N N 39 123.814 121.799 2.015 1
1 363 . 9 1 1 A 39 39 LYS H H 39 8.418 8.802 -0.384 1
1 364 . 9 1 1 A 39 39 LYS CA C 39 54.156 56.794 -2.638 1
1 365 . 9 1 1 A 39 39 LYS HA H 39 4.611 3.808 0.803 1
1 366 . 9 1 1 A 39 39 LYS CB C 39 32.558 30.388 2.170 1
1 377 . 9 1 1 A 39 39 LYS C C 39 174.459 175.162 -0.703 1
1 378 . 9 1 1 A 40 40 PRO CA C 40 63.278 62.623 0.655 1
1 379 . 9 1 1 A 40 40 PRO HA H 40 4.465 4.501 -0.036 1
1 380 . 9 1 1 A 40 40 PRO CB C 40 32.181 30.994 1.187 1
1 389 . 9 1 1 A 42 42 GLY CA C 42 44.677 46.107 -1.430 1
1 390 . 9 1 1 A 42 42 GLY HA2 H 42 4.162 4.222 -0.060 1
1 391 . 9 1 1 A 42 42 GLY HA3 H 42 4.112 4.224 -0.112 1
1 392 . 9 1 1 A 43 43 PRO CA C 43 63.257 62.246 1.011 1
1 393 . 9 1 1 A 43 43 PRO HA H 43 4.479 4.600 -0.121 1
1 394 . 9 1 1 A 43 43 PRO CB C 43 32.210 29.859 2.351 1
1 402 . 9 1 1 A 45 45 SER CA C 45 58.380 57.220 1.160 1
1 403 . 9 1 1 A 45 45 SER HA H 45 4.440 4.552 -0.112 1
1 404 . 9 1 1 A 45 45 SER CB C 45 64.123 63.804 0.319 1
1 406 . 9 1 1 A 45 45 SER C C 45 173.895 173.822 0.073 1
1 1 . 10 1 1 A 7 7 GLY CA C 7 45.522 45.515 0.007 1
1 2 . 10 1 1 A 7 7 GLY HA2 H 7 3.949 4.083 -0.134 1
1 3 . 10 1 1 A 7 7 GLY C C 7 174.326 174.146 0.180 1
1 4 . 10 1 1 A 8 8 MET N N 8 119.786 120.230 -0.444 1
1 5 . 10 1 1 A 8 8 MET H H 8 8.274 8.524 -0.250 1
1 6 . 10 1 1 A 8 8 MET CA C 8 55.569 56.714 -1.145 1
1 7 . 10 1 1 A 8 8 MET HA H 8 4.511 4.599 -0.088 1
1 8 . 10 1 1 A 8 8 MET CB C 8 32.859 34.644 -1.785 1
1 18 . 10 1 1 A 8 8 MET C C 8 176.789 175.446 1.343 1
1 19 . 10 1 1 A 9 9 GLY N N 9 110.120 105.476 4.644 1
1 20 . 10 1 1 A 9 9 GLY H H 9 8.454 7.637 0.817 1
1 21 . 10 1 1 A 9 9 GLY CA C 9 45.277 45.388 -0.111 1
1 22 . 10 1 1 A 9 9 GLY HA2 H 9 3.956 4.068 -0.112 1
1 23 . 10 1 1 A 9 9 GLY HA3 H 9 3.956 4.075 -0.119 1
1 24 . 10 1 1 A 9 9 GLY C C 9 174.007 174.673 -0.666 1
1 25 . 10 1 1 A 10 10 GLU N N 10 120.558 122.724 -2.166 1
1 26 . 10 1 1 A 10 10 GLU H H 10 8.068 8.635 -0.567 1
1 27 . 10 1 1 A 10 10 GLU CA C 10 56.544 58.931 -2.387 1
1 28 . 10 1 1 A 10 10 GLU HA H 10 4.252 4.059 0.193 1
1 29 . 10 1 1 A 10 10 GLU CB C 10 30.579 29.414 1.165 1
1 35 . 10 1 1 A 10 10 GLU C C 10 176.309 176.537 -0.228 1
1 36 . 10 1 1 A 11 11 LYS N N 11 122.155 119.851 2.304 1
1 37 . 10 1 1 A 11 11 LYS H H 11 8.398 8.060 0.338 1
1 38 . 10 1 1 A 11 11 LYS CA C 11 55.910 55.199 0.711 1
1 39 . 10 1 1 A 11 11 LYS HA H 11 4.245 4.632 -0.387 1
1 40 . 10 1 1 A 11 11 LYS CB C 11 33.017 33.169 -0.152 1
1 52 . 10 1 1 A 11 11 LYS C C 11 175.280 175.896 -0.616 1
1 53 . 10 1 1 A 12 12 CYS N N 12 119.118 124.941 -5.823 1
1 54 . 10 1 1 A 12 12 CYS H H 12 7.956 8.779 -0.823 1
1 55 . 10 1 1 A 12 12 CYS CA C 12 57.559 58.469 -0.910 1
1 56 . 10 1 1 A 12 12 CYS HA H 12 4.542 4.768 -0.226 1
1 57 . 10 1 1 A 12 12 CYS CB C 12 28.894 27.535 1.359 1
1 60 . 10 1 1 A 12 12 CYS C C 12 172.990 174.003 -1.013 1
1 61 . 10 1 1 A 13 13 TYR N N 13 124.152 121.437 2.715 1
1 62 . 10 1 1 A 13 13 TYR H H 13 8.727 7.927 0.800 1
1 63 . 10 1 1 A 13 13 TYR CA C 13 57.441 59.452 -2.011 1
1 64 . 10 1 1 A 13 13 TYR HA H 13 4.601 4.523 0.078 1
1 65 . 10 1 1 A 13 13 TYR CB C 13 39.188 38.801 0.387 1
1 76 . 10 1 1 A 13 13 TYR C C 13 174.171 175.309 -1.138 1
1 77 . 10 1 1 A 14 14 LYS N N 14 125.412 126.204 -0.792 1
1 78 . 10 1 1 A 14 14 LYS H H 14 8.727 8.844 -0.117 1
1 79 . 10 1 1 A 14 14 LYS CA C 14 54.992 54.435 0.557 1
1 80 . 10 1 1 A 14 14 LYS HA H 14 5.102 5.179 -0.077 1
1 81 . 10 1 1 A 14 14 LYS CB C 14 36.167 36.196 -0.029 1
1 93 . 10 1 1 A 14 14 LYS C C 14 175.134 175.354 -0.220 1
1 94 . 10 1 1 A 15 15 CYS N N 15 127.849 124.596 3.253 1
1 95 . 10 1 1 A 15 15 CYS H H 15 9.310 9.351 -0.041 1
1 96 . 10 1 1 A 15 15 CYS CA C 15 59.999 58.309 1.690 1
1 97 . 10 1 1 A 15 15 CYS HA H 15 4.533 4.837 -0.304 1
1 98 . 10 1 1 A 15 15 CYS CB C 15 29.661 29.660 0.001 1
1 101 . 10 1 1 A 15 15 CYS C C 15 176.848 175.786 1.062 1
1 102 . 10 1 1 A 16 16 ASP N N 16 115.181 123.785 -8.604 1
1 103 . 10 1 1 A 16 16 ASP H H 16 9.321 8.683 0.638 1
1 104 . 10 1 1 A 16 16 ASP CA C 16 56.333 53.498 2.835 1
1 105 . 10 1 1 A 16 16 ASP HA H 16 4.447 4.897 -0.450 1
1 106 . 10 1 1 A 16 16 ASP CB C 16 40.579 40.227 0.352 1
1 109 . 10 1 1 A 16 16 ASP C C 16 175.969 175.440 0.529 1
1 110 . 10 1 1 A 17 17 VAL N N 17 121.861 117.754 4.107 1
1 111 . 10 1 1 A 17 17 VAL H H 17 8.757 7.556 1.201 1
1 112 . 10 1 1 A 17 17 VAL CA C 17 65.159 63.728 1.431 1
1 113 . 10 1 1 A 17 17 VAL HA H 17 3.797 4.108 -0.311 1
1 114 . 10 1 1 A 17 17 VAL CB C 17 32.936 33.516 -0.580 1
1 124 . 10 1 1 A 17 17 VAL C C 17 177.154 177.337 -0.183 1
1 125 . 10 1 1 A 18 18 CYS N N 18 115.378 115.208 0.170 1
1 126 . 10 1 1 A 18 18 CYS H H 18 8.044 7.620 0.424 1
1 127 . 10 1 1 A 18 18 CYS CA C 18 58.172 59.425 -1.253 1
1 128 . 10 1 1 A 18 18 CYS HA H 18 5.163 4.682 0.481 1
1 129 . 10 1 1 A 18 18 CYS CB C 18 32.784 30.090 2.694 1
1 132 . 10 1 1 A 18 18 CYS C C 18 176.540 175.454 1.086 1
1 133 . 10 1 1 A 19 19 GLY N N 19 113.425 110.149 3.276 1
1 134 . 10 1 1 A 19 19 GLY H H 19 8.066 8.104 -0.038 1
1 135 . 10 1 1 A 19 19 GLY CA C 19 46.336 45.394 0.942 1
1 136 . 10 1 1 A 19 19 GLY HA2 H 19 4.269 4.042 0.227 1
1 137 . 10 1 1 A 19 19 GLY HA3 H 19 3.806 4.049 -0.243 1
1 138 . 10 1 1 A 19 19 GLY C C 19 173.558 174.384 -0.826 1
1 139 . 10 1 1 A 20 20 LYS N N 20 123.276 120.990 2.286 1
1 140 . 10 1 1 A 20 20 LYS H H 20 8.018 7.849 0.169 1
1 141 . 10 1 1 A 20 20 LYS CA C 20 58.465 55.110 3.355 1
1 142 . 10 1 1 A 20 20 LYS HA H 20 3.935 4.520 -0.585 1
1 143 . 10 1 1 A 20 20 LYS CB C 20 33.640 34.101 -0.461 1
1 155 . 10 1 1 A 20 20 LYS C C 20 174.303 175.004 -0.701 1
1 156 . 10 1 1 A 21 21 GLU N N 21 120.572 124.155 -3.583 1
1 157 . 10 1 1 A 21 21 GLU H H 21 7.893 7.978 -0.085 1
1 158 . 10 1 1 A 21 21 GLU CA C 21 55.071 54.455 0.616 1
1 159 . 10 1 1 A 21 21 GLU HA H 21 4.863 5.023 -0.160 1
1 160 . 10 1 1 A 21 21 GLU CB C 21 32.738 33.480 -0.742 1
1 166 . 10 1 1 A 21 21 GLU C C 21 175.442 174.681 0.761 1
1 167 . 10 1 1 A 22 22 PHE N N 22 118.232 122.029 -3.797 1
1 168 . 10 1 1 A 22 22 PHE H H 22 8.808 9.083 -0.275 1
1 169 . 10 1 1 A 22 22 PHE CA C 22 56.999 56.984 0.015 1
1 170 . 10 1 1 A 22 22 PHE HA H 22 4.879 5.009 -0.130 1
1 171 . 10 1 1 A 22 22 PHE CB C 22 43.906 43.643 0.263 1
1 184 . 10 1 1 A 22 22 PHE C C 22 175.502 175.749 -0.247 1
1 185 . 10 1 1 A 23 23 SER CA C 23 59.319 60.028 -0.709 1
1 186 . 10 1 1 A 23 23 SER HA H 23 4.872 4.559 0.313 1
1 187 . 10 1 1 A 23 23 SER CB C 23 64.471 64.111 0.360 1
1 190 . 10 1 1 A 23 23 SER C C 23 174.157 174.548 -0.391 1
1 191 . 10 1 1 A 24 24 GLN N N 24 115.876 119.927 -4.051 1
1 192 . 10 1 1 A 24 24 GLN H H 24 7.123 7.406 -0.283 1
1 193 . 10 1 1 A 24 24 GLN CA C 24 53.975 54.287 -0.312 1
1 194 . 10 1 1 A 24 24 GLN HA H 24 4.582 4.423 0.159 1
1 195 . 10 1 1 A 24 24 GLN CB C 24 31.867 29.554 2.313 1
1 204 . 10 1 1 A 24 24 GLN C C 24 175.839 176.013 -0.174 1
1 205 . 10 1 1 A 25 25 SER CA C 25 61.060 61.288 -0.228 1
1 206 . 10 1 1 A 25 25 SER HA H 25 3.107 3.339 -0.232 1
1 207 . 10 1 1 A 25 25 SER CB C 25 61.929 62.735 -0.806 1
1 210 . 10 1 1 A 26 26 SER CA C 26 61.019 61.627 -0.608 1
1 211 . 10 1 1 A 26 26 SER HA H 26 4.054 4.003 0.051 1
1 212 . 10 1 1 A 26 26 SER CB C 26 61.700 63.163 -1.463 1
1 214 . 10 1 1 A 26 26 SER C C 26 176.800 177.547 -0.747 1
1 215 . 10 1 1 A 27 27 HIS N N 27 120.923 119.718 1.205 1
1 216 . 10 1 1 A 27 27 HIS H H 27 6.656 8.162 -1.506 1
1 217 . 10 1 1 A 27 27 HIS CA C 27 56.877 58.615 -1.738 1
1 218 . 10 1 1 A 27 27 HIS HA H 27 4.465 4.333 0.132 1
1 219 . 10 1 1 A 27 27 HIS CB C 27 31.765 29.784 1.981 1
1 226 . 10 1 1 A 27 27 HIS C C 27 178.354 177.271 1.083 1
1 227 . 10 1 1 A 28 28 LEU N N 28 121.000 121.029 -0.029 1
1 228 . 10 1 1 A 28 28 LEU H H 28 6.955 8.135 -1.180 1
1 229 . 10 1 1 A 28 28 LEU CA C 28 57.734 56.863 0.871 1
1 230 . 10 1 1 A 28 28 LEU HA H 28 3.249 3.056 0.193 1
1 231 . 10 1 1 A 28 28 LEU CB C 28 40.290 42.094 -1.804 1
1 244 . 10 1 1 A 28 28 LEU C C 28 177.380 178.048 -0.668 1
1 245 . 10 1 1 A 29 29 GLN N N 29 118.542 116.895 1.647 1
1 246 . 10 1 1 A 29 29 GLN H H 29 8.074 7.962 0.112 1
1 247 . 10 1 1 A 29 29 GLN CA C 29 59.241 58.177 1.064 1
1 248 . 10 1 1 A 29 29 GLN HA H 29 4.078 4.104 -0.026 1
1 249 . 10 1 1 A 29 29 GLN CB C 29 28.246 28.693 -0.447 1
1 258 . 10 1 1 A 29 29 GLN C C 29 179.270 178.021 1.249 1
1 259 . 10 1 1 A 30 30 THR N N 30 115.381 116.937 -1.556 1
1 260 . 10 1 1 A 30 30 THR H H 30 8.023 8.174 -0.151 1
1 261 . 10 1 1 A 30 30 THR CA C 30 66.331 66.498 -0.167 1
1 262 . 10 1 1 A 30 30 THR HA H 30 3.857 3.950 -0.093 1
1 263 . 10 1 1 A 30 30 THR CB C 30 68.800 68.286 0.514 1
1 269 . 10 1 1 A 30 30 THR C C 30 176.560 176.352 0.208 1
1 270 . 10 1 1 A 31 31 HIS N N 31 121.437 121.619 -0.182 1
1 271 . 10 1 1 A 31 31 HIS H H 31 7.611 7.866 -0.255 1
1 272 . 10 1 1 A 31 31 HIS CA C 31 59.124 60.164 -1.040 1
1 273 . 10 1 1 A 31 31 HIS HA H 31 4.227 4.227 0.000 1
1 274 . 10 1 1 A 31 31 HIS CB C 31 28.616 29.813 -1.197 1
1 281 . 10 1 1 A 31 31 HIS C C 31 175.895 177.279 -1.384 1
1 282 . 10 1 1 A 32 32 GLN N N 32 115.030 118.106 -3.076 1
1 283 . 10 1 1 A 32 32 GLN H H 32 8.285 8.450 -0.165 1
1 284 . 10 1 1 A 32 32 GLN CA C 32 59.440 58.965 0.475 1
1 285 . 10 1 1 A 32 32 GLN HA H 32 3.680 3.749 -0.069 1
1 286 . 10 1 1 A 32 32 GLN CB C 32 28.287 28.246 0.041 1
1 295 . 10 1 1 A 32 32 GLN C C 32 177.393 178.500 -1.107 1
1 296 . 10 1 1 A 33 33 ARG N N 33 117.259 120.557 -3.298 1
1 297 . 10 1 1 A 33 33 ARG H H 33 7.113 8.031 -0.918 1
1 298 . 10 1 1 A 33 33 ARG CA C 33 58.407 59.067 -0.660 1
1 299 . 10 1 1 A 33 33 ARG HA H 33 4.158 3.968 0.190 1
1 300 . 10 1 1 A 33 33 ARG CB C 33 29.987 29.748 0.239 1
1 309 . 10 1 1 A 33 33 ARG C C 33 178.523 179.115 -0.592 1
1 310 . 10 1 1 A 34 34 VAL N N 34 116.132 116.939 -0.807 1
1 311 . 10 1 1 A 34 34 VAL H H 34 7.926 7.634 0.292 1
1 312 . 10 1 1 A 34 34 VAL CA C 34 64.005 64.677 -0.672 1
1 313 . 10 1 1 A 34 34 VAL HA H 34 3.917 3.703 0.214 1
1 314 . 10 1 1 A 34 34 VAL CB C 34 31.133 31.159 -0.026 1
1 324 . 10 1 1 A 34 34 VAL C C 34 177.246 176.484 0.762 1
1 325 . 10 1 1 A 35 35 HIS N N 35 116.613 118.469 -1.856 1
1 326 . 10 1 1 A 35 35 HIS H H 35 7.200 7.728 -0.528 1
1 327 . 10 1 1 A 35 35 HIS CA C 35 54.962 57.081 -2.119 1
1 328 . 10 1 1 A 35 35 HIS HA H 35 4.945 4.614 0.331 1
1 329 . 10 1 1 A 35 35 HIS CB C 35 28.553 31.990 -3.437 1
1 336 . 10 1 1 A 35 35 HIS C C 35 175.670 175.323 0.347 1
1 337 . 10 1 1 A 36 36 THR N N 36 112.053 112.239 -0.186 1
1 338 . 10 1 1 A 36 36 THR H H 36 7.769 7.827 -0.058 1
1 339 . 10 1 1 A 36 36 THR CA C 36 62.692 59.959 2.733 1
1 340 . 10 1 1 A 36 36 THR HA H 36 4.347 4.596 -0.249 1
1 341 . 10 1 1 A 36 36 THR CB C 36 69.819 71.335 -1.516 1
1 347 . 10 1 1 A 36 36 THR C C 36 175.500 175.156 0.344 1
1 348 . 10 1 1 A 37 37 GLY CA C 37 45.299 45.279 0.020 1
1 349 . 10 1 1 A 37 37 GLY HA2 H 37 3.936 3.976 -0.040 1
1 350 . 10 1 1 A 37 37 GLY C C 37 173.971 174.921 -0.950 1
1 351 . 10 1 1 A 38 38 GLU N N 38 120.577 120.923 -0.346 1
1 352 . 10 1 1 A 38 38 GLU H H 38 8.266 7.932 0.334 1
1 353 . 10 1 1 A 38 38 GLU CA C 38 56.543 55.791 0.752 1
1 354 . 10 1 1 A 38 38 GLU HA H 38 4.272 4.443 -0.171 1
1 355 . 10 1 1 A 38 38 GLU CB C 38 30.449 30.747 -0.298 1
1 361 . 10 1 1 A 38 38 GLU C C 38 176.313 176.593 -0.280 1
1 362 . 10 1 1 A 39 39 LYS N N 39 123.814 117.713 6.101 1
1 363 . 10 1 1 A 39 39 LYS H H 39 8.418 8.859 -0.441 1
1 364 . 10 1 1 A 39 39 LYS CA C 39 54.156 56.853 -2.697 1
1 365 . 10 1 1 A 39 39 LYS HA H 39 4.611 3.766 0.845 1
1 366 . 10 1 1 A 39 39 LYS CB C 39 32.558 30.602 1.956 1
1 377 . 10 1 1 A 39 39 LYS C C 39 174.459 175.145 -0.686 1
1 378 . 10 1 1 A 40 40 PRO CA C 40 63.278 62.620 0.658 1
1 379 . 10 1 1 A 40 40 PRO HA H 40 4.465 4.513 -0.048 1
1 380 . 10 1 1 A 40 40 PRO CB C 40 32.181 31.378 0.803 1
1 389 . 10 1 1 A 42 42 GLY CA C 42 44.677 45.026 -0.349 1
1 390 . 10 1 1 A 42 42 GLY HA2 H 42 4.162 4.221 -0.059 1
1 391 . 10 1 1 A 42 42 GLY HA3 H 42 4.112 4.221 -0.109 1
1 392 . 10 1 1 A 43 43 PRO CA C 43 63.257 62.312 0.945 1
1 393 . 10 1 1 A 43 43 PRO HA H 43 4.479 4.489 -0.010 1
1 394 . 10 1 1 A 43 43 PRO CB C 43 32.210 29.628 2.582 1
1 402 . 10 1 1 A 45 45 SER CA C 45 58.380 58.610 -0.230 1
1 403 . 10 1 1 A 45 45 SER HA H 45 4.440 4.343 0.097 1
1 404 . 10 1 1 A 45 45 SER CB C 45 64.123 63.725 0.398 1
1 406 . 10 1 1 A 45 45 SER C C 45 173.895 174.627 -0.732 1
1 1 . 11 1 1 A 7 7 GLY CA C 7 45.522 44.920 0.602 1
1 2 . 11 1 1 A 7 7 GLY HA2 H 7 3.949 4.164 -0.215 1
1 3 . 11 1 1 A 7 7 GLY C C 7 174.326 172.437 1.889 1
1 4 . 11 1 1 A 8 8 MET N N 8 119.786 121.468 -1.682 1
1 5 . 11 1 1 A 8 8 MET H H 8 8.274 8.725 -0.451 1
1 6 . 11 1 1 A 8 8 MET CA C 8 55.569 54.136 1.433 1
1 7 . 11 1 1 A 8 8 MET HA H 8 4.511 5.208 -0.697 1
1 8 . 11 1 1 A 8 8 MET CB C 8 32.859 35.825 -2.966 1
1 18 . 11 1 1 A 8 8 MET C C 8 176.789 174.308 2.481 1
1 19 . 11 1 1 A 9 9 GLY N N 9 110.120 109.332 0.788 1
1 20 . 11 1 1 A 9 9 GLY H H 9 8.454 8.890 -0.436 1
1 21 . 11 1 1 A 9 9 GLY CA C 9 45.277 44.661 0.616 1
1 22 . 11 1 1 A 9 9 GLY HA2 H 9 3.956 4.360 -0.404 1
1 23 . 11 1 1 A 9 9 GLY HA3 H 9 3.956 4.362 -0.406 1
1 24 . 11 1 1 A 9 9 GLY C C 9 174.007 172.768 1.239 1
1 25 . 11 1 1 A 10 10 GLU N N 10 120.558 116.421 4.137 1
1 26 . 11 1 1 A 10 10 GLU H H 10 8.068 8.316 -0.248 1
1 27 . 11 1 1 A 10 10 GLU CA C 10 56.544 55.795 0.749 1
1 28 . 11 1 1 A 10 10 GLU HA H 10 4.252 4.504 -0.252 1
1 29 . 11 1 1 A 10 10 GLU CB C 10 30.579 30.966 -0.387 1
1 35 . 11 1 1 A 10 10 GLU C C 10 176.309 175.763 0.546 1
1 36 . 11 1 1 A 11 11 LYS N N 11 122.155 123.488 -1.333 1
1 37 . 11 1 1 A 11 11 LYS H H 11 8.398 8.567 -0.169 1
1 38 . 11 1 1 A 11 11 LYS CA C 11 55.910 56.468 -0.558 1
1 39 . 11 1 1 A 11 11 LYS HA H 11 4.245 4.472 -0.227 1
1 40 . 11 1 1 A 11 11 LYS CB C 11 33.017 32.885 0.132 1
1 52 . 11 1 1 A 11 11 LYS C C 11 175.280 175.225 0.055 1
1 53 . 11 1 1 A 12 12 CYS N N 12 119.118 126.483 -7.365 1
1 54 . 11 1 1 A 12 12 CYS H H 12 7.956 8.699 -0.743 1
1 55 . 11 1 1 A 12 12 CYS CA C 12 57.559 57.988 -0.429 1
1 56 . 11 1 1 A 12 12 CYS HA H 12 4.542 4.670 -0.128 1
1 57 . 11 1 1 A 12 12 CYS CB C 12 28.894 26.012 2.882 1
1 60 . 11 1 1 A 12 12 CYS C C 12 172.990 173.860 -0.870 1
1 61 . 11 1 1 A 13 13 TYR N N 13 124.152 126.693 -2.541 1
1 62 . 11 1 1 A 13 13 TYR H H 13 8.727 8.645 0.082 1
1 63 . 11 1 1 A 13 13 TYR CA C 13 57.441 58.955 -1.514 1
1 64 . 11 1 1 A 13 13 TYR HA H 13 4.601 4.652 -0.051 1
1 65 . 11 1 1 A 13 13 TYR CB C 13 39.188 38.384 0.804 1
1 76 . 11 1 1 A 13 13 TYR C C 13 174.171 175.030 -0.859 1
1 77 . 11 1 1 A 14 14 LYS N N 14 125.412 126.042 -0.630 1
1 78 . 11 1 1 A 14 14 LYS H H 14 8.727 8.903 -0.176 1
1 79 . 11 1 1 A 14 14 LYS CA C 14 54.992 54.549 0.443 1
1 80 . 11 1 1 A 14 14 LYS HA H 14 5.102 5.025 0.077 1
1 81 . 11 1 1 A 14 14 LYS CB C 14 36.167 34.969 1.198 1
1 93 . 11 1 1 A 14 14 LYS C C 14 175.134 176.079 -0.945 1
1 94 . 11 1 1 A 15 15 CYS N N 15 127.849 125.363 2.486 1
1 95 . 11 1 1 A 15 15 CYS H H 15 9.310 9.238 0.072 1
1 96 . 11 1 1 A 15 15 CYS CA C 15 59.999 59.895 0.104 1
1 97 . 11 1 1 A 15 15 CYS HA H 15 4.533 4.577 -0.044 1
1 98 . 11 1 1 A 15 15 CYS CB C 15 29.661 28.722 0.939 1
1 101 . 11 1 1 A 15 15 CYS C C 15 176.848 175.366 1.482 1
1 102 . 11 1 1 A 16 16 ASP N N 16 115.181 127.834 -12.653 1
1 103 . 11 1 1 A 16 16 ASP H H 16 9.321 8.943 0.378 1
1 104 . 11 1 1 A 16 16 ASP CA C 16 56.333 53.958 2.375 1
1 105 . 11 1 1 A 16 16 ASP HA H 16 4.447 4.852 -0.405 1
1 106 . 11 1 1 A 16 16 ASP CB C 16 40.579 40.894 -0.315 1
1 109 . 11 1 1 A 16 16 ASP C C 16 175.969 176.524 -0.555 1
1 110 . 11 1 1 A 17 17 VAL N N 17 121.861 118.655 3.206 1
1 111 . 11 1 1 A 17 17 VAL H H 17 8.757 7.983 0.774 1
1 112 . 11 1 1 A 17 17 VAL CA C 17 65.159 63.642 1.517 1
1 113 . 11 1 1 A 17 17 VAL HA H 17 3.797 4.147 -0.350 1
1 114 . 11 1 1 A 17 17 VAL CB C 17 32.936 33.508 -0.572 1
1 124 . 11 1 1 A 17 17 VAL C C 17 177.154 177.276 -0.122 1
1 125 . 11 1 1 A 18 18 CYS N N 18 115.378 115.240 0.138 1
1 126 . 11 1 1 A 18 18 CYS H H 18 8.044 7.579 0.465 1
1 127 . 11 1 1 A 18 18 CYS CA C 18 58.172 59.408 -1.236 1
1 128 . 11 1 1 A 18 18 CYS HA H 18 5.163 4.653 0.510 1
1 129 . 11 1 1 A 18 18 CYS CB C 18 32.784 30.021 2.763 1
1 132 . 11 1 1 A 18 18 CYS C C 18 176.540 175.354 1.186 1
1 133 . 11 1 1 A 19 19 GLY N N 19 113.425 110.165 3.260 1
1 134 . 11 1 1 A 19 19 GLY H H 19 8.066 7.996 0.070 1
1 135 . 11 1 1 A 19 19 GLY CA C 19 46.336 45.167 1.169 1
1 136 . 11 1 1 A 19 19 GLY HA2 H 19 4.269 4.054 0.215 1
1 137 . 11 1 1 A 19 19 GLY HA3 H 19 3.806 4.057 -0.251 1
1 138 . 11 1 1 A 19 19 GLY C C 19 173.558 174.274 -0.716 1
1 139 . 11 1 1 A 20 20 LYS N N 20 123.276 121.384 1.892 1
1 140 . 11 1 1 A 20 20 LYS H H 20 8.018 7.870 0.148 1
1 141 . 11 1 1 A 20 20 LYS CA C 20 58.465 55.300 3.165 1
1 142 . 11 1 1 A 20 20 LYS HA H 20 3.935 4.448 -0.513 1
1 143 . 11 1 1 A 20 20 LYS CB C 20 33.640 33.611 0.029 1
1 155 . 11 1 1 A 20 20 LYS C C 20 174.303 175.130 -0.827 1
1 156 . 11 1 1 A 21 21 GLU N N 21 120.572 124.537 -3.965 1
1 157 . 11 1 1 A 21 21 GLU H H 21 7.893 8.044 -0.151 1
1 158 . 11 1 1 A 21 21 GLU CA C 21 55.071 54.354 0.717 1
1 159 . 11 1 1 A 21 21 GLU HA H 21 4.863 5.048 -0.185 1
1 160 . 11 1 1 A 21 21 GLU CB C 21 32.738 33.706 -0.968 1
1 166 . 11 1 1 A 21 21 GLU C C 21 175.442 174.777 0.665 1
1 167 . 11 1 1 A 22 22 PHE N N 22 118.232 122.179 -3.947 1
1 168 . 11 1 1 A 22 22 PHE H H 22 8.808 8.791 0.017 1
1 169 . 11 1 1 A 22 22 PHE CA C 22 56.999 56.889 0.110 1
1 170 . 11 1 1 A 22 22 PHE HA H 22 4.879 4.939 -0.060 1
1 171 . 11 1 1 A 22 22 PHE CB C 22 43.906 43.644 0.262 1
1 184 . 11 1 1 A 22 22 PHE C C 22 175.502 175.803 -0.301 1
1 185 . 11 1 1 A 23 23 SER CA C 23 59.319 60.674 -1.355 1
1 186 . 11 1 1 A 23 23 SER HA H 23 4.872 4.449 0.423 1
1 187 . 11 1 1 A 23 23 SER CB C 23 64.471 64.215 0.256 1
1 190 . 11 1 1 A 23 23 SER C C 23 174.157 174.616 -0.459 1
1 191 . 11 1 1 A 24 24 GLN N N 24 115.876 119.073 -3.197 1
1 192 . 11 1 1 A 24 24 GLN H H 24 7.123 7.393 -0.270 1
1 193 . 11 1 1 A 24 24 GLN CA C 24 53.975 54.368 -0.393 1
1 194 . 11 1 1 A 24 24 GLN HA H 24 4.582 4.511 0.071 1
1 195 . 11 1 1 A 24 24 GLN CB C 24 31.867 30.253 1.614 1
1 204 . 11 1 1 A 24 24 GLN C C 24 175.839 176.511 -0.672 1
1 205 . 11 1 1 A 25 25 SER CA C 25 61.060 61.615 -0.555 1
1 206 . 11 1 1 A 25 25 SER HA H 25 3.107 3.283 -0.176 1
1 207 . 11 1 1 A 25 25 SER CB C 25 61.929 62.493 -0.564 1
1 210 . 11 1 1 A 26 26 SER CA C 26 61.019 62.297 -1.278 1
1 211 . 11 1 1 A 26 26 SER HA H 26 4.054 4.217 -0.163 1
1 212 . 11 1 1 A 26 26 SER CB C 26 61.700 62.552 -0.852 1
1 214 . 11 1 1 A 26 26 SER C C 26 176.800 176.545 0.255 1
1 215 . 11 1 1 A 27 27 HIS N N 27 120.923 119.504 1.419 1
1 216 . 11 1 1 A 27 27 HIS H H 27 6.656 8.423 -1.767 1
1 217 . 11 1 1 A 27 27 HIS CA C 27 56.877 58.644 -1.767 1
1 218 . 11 1 1 A 27 27 HIS HA H 27 4.465 4.110 0.355 1
1 219 . 11 1 1 A 27 27 HIS CB C 27 31.765 29.848 1.917 1
1 226 . 11 1 1 A 27 27 HIS C C 27 178.354 177.044 1.310 1
1 227 . 11 1 1 A 28 28 LEU N N 28 121.000 120.370 0.630 1
1 228 . 11 1 1 A 28 28 LEU H H 28 6.955 7.966 -1.011 1
1 229 . 11 1 1 A 28 28 LEU CA C 28 57.734 57.951 -0.217 1
1 230 . 11 1 1 A 28 28 LEU HA H 28 3.249 2.900 0.349 1
1 231 . 11 1 1 A 28 28 LEU CB C 28 40.290 42.064 -1.774 1
1 244 . 11 1 1 A 28 28 LEU C C 28 177.380 178.432 -1.052 1
1 245 . 11 1 1 A 29 29 GLN N N 29 118.542 117.667 0.875 1
1 246 . 11 1 1 A 29 29 GLN H H 29 8.074 7.957 0.117 1
1 247 . 11 1 1 A 29 29 GLN CA C 29 59.241 59.233 0.008 1
1 248 . 11 1 1 A 29 29 GLN HA H 29 4.078 3.950 0.128 1
1 249 . 11 1 1 A 29 29 GLN CB C 29 28.246 28.336 -0.090 1
1 258 . 11 1 1 A 29 29 GLN C C 29 179.270 178.577 0.693 1
1 259 . 11 1 1 A 30 30 THR N N 30 115.381 115.853 -0.472 1
1 260 . 11 1 1 A 30 30 THR H H 30 8.023 8.254 -0.231 1
1 261 . 11 1 1 A 30 30 THR CA C 30 66.331 66.400 -0.069 1
1 262 . 11 1 1 A 30 30 THR HA H 30 3.857 3.928 -0.071 1
1 263 . 11 1 1 A 30 30 THR CB C 30 68.800 68.584 0.216 1
1 269 . 11 1 1 A 30 30 THR C C 30 176.560 176.395 0.165 1
1 270 . 11 1 1 A 31 31 HIS N N 31 121.437 120.787 0.650 1
1 271 . 11 1 1 A 31 31 HIS H H 31 7.611 7.447 0.164 1
1 272 . 11 1 1 A 31 31 HIS CA C 31 59.124 59.885 -0.761 1
1 273 . 11 1 1 A 31 31 HIS HA H 31 4.227 4.194 0.033 1
1 274 . 11 1 1 A 31 31 HIS CB C 31 28.616 29.770 -1.154 1
1 281 . 11 1 1 A 31 31 HIS C C 31 175.895 177.442 -1.547 1
1 282 . 11 1 1 A 32 32 GLN N N 32 115.030 118.198 -3.168 1
1 283 . 11 1 1 A 32 32 GLN H H 32 8.285 8.530 -0.245 1
1 284 . 11 1 1 A 32 32 GLN CA C 32 59.440 58.832 0.608 1
1 285 . 11 1 1 A 32 32 GLN HA H 32 3.680 3.821 -0.141 1
1 286 . 11 1 1 A 32 32 GLN CB C 32 28.287 28.354 -0.067 1
1 295 . 11 1 1 A 32 32 GLN C C 32 177.393 178.570 -1.177 1
1 296 . 11 1 1 A 33 33 ARG N N 33 117.259 120.229 -2.970 1
1 297 . 11 1 1 A 33 33 ARG H H 33 7.113 7.533 -0.420 1
1 298 . 11 1 1 A 33 33 ARG CA C 33 58.407 58.797 -0.390 1
1 299 . 11 1 1 A 33 33 ARG HA H 33 4.158 4.048 0.110 1
1 300 . 11 1 1 A 33 33 ARG CB C 33 29.987 29.964 0.023 1
1 309 . 11 1 1 A 33 33 ARG C C 33 178.523 178.512 0.011 1
1 310 . 11 1 1 A 34 34 VAL N N 34 116.132 116.497 -0.365 1
1 311 . 11 1 1 A 34 34 VAL H H 34 7.926 7.721 0.205 1
1 312 . 11 1 1 A 34 34 VAL CA C 34 64.005 63.808 0.197 1
1 313 . 11 1 1 A 34 34 VAL HA H 34 3.917 3.973 -0.056 1
1 314 . 11 1 1 A 34 34 VAL CB C 34 31.133 31.185 -0.052 1
1 324 . 11 1 1 A 34 34 VAL C C 34 177.246 176.338 0.908 1
1 325 . 11 1 1 A 35 35 HIS N N 35 116.613 119.886 -3.273 1
1 326 . 11 1 1 A 35 35 HIS H H 35 7.200 7.991 -0.791 1
1 327 . 11 1 1 A 35 35 HIS CA C 35 54.962 56.974 -2.012 1
1 328 . 11 1 1 A 35 35 HIS HA H 35 4.945 4.611 0.334 1
1 329 . 11 1 1 A 35 35 HIS CB C 35 28.553 31.348 -2.795 1
1 336 . 11 1 1 A 35 35 HIS C C 35 175.670 176.446 -0.776 1
1 337 . 11 1 1 A 36 36 THR N N 36 112.053 114.949 -2.896 1
1 338 . 11 1 1 A 36 36 THR H H 36 7.769 8.022 -0.253 1
1 339 . 11 1 1 A 36 36 THR CA C 36 62.692 64.933 -2.241 1
1 340 . 11 1 1 A 36 36 THR HA H 36 4.347 3.996 0.351 1
1 341 . 11 1 1 A 36 36 THR CB C 36 69.819 68.836 0.983 1
1 347 . 11 1 1 A 36 36 THR C C 36 175.500 176.211 -0.711 1
1 348 . 11 1 1 A 37 37 GLY CA C 37 45.299 45.932 -0.633 1
1 349 . 11 1 1 A 37 37 GLY HA2 H 37 3.936 3.866 0.070 1
1 350 . 11 1 1 A 37 37 GLY C C 37 173.971 173.402 0.569 1
1 351 . 11 1 1 A 38 38 GLU N N 38 120.577 121.685 -1.108 1
1 352 . 11 1 1 A 38 38 GLU H H 38 8.266 8.141 0.125 1
1 353 . 11 1 1 A 38 38 GLU CA C 38 56.543 54.425 2.118 1
1 354 . 11 1 1 A 38 38 GLU HA H 38 4.272 4.661 -0.389 1
1 355 . 11 1 1 A 38 38 GLU CB C 38 30.449 32.271 -1.822 1
1 361 . 11 1 1 A 38 38 GLU C C 38 176.313 176.059 0.254 1
1 362 . 11 1 1 A 39 39 LYS N N 39 123.814 121.416 2.398 1
1 363 . 11 1 1 A 39 39 LYS H H 39 8.418 8.776 -0.358 1
1 364 . 11 1 1 A 39 39 LYS CA C 39 54.156 56.763 -2.607 1
1 365 . 11 1 1 A 39 39 LYS HA H 39 4.611 3.809 0.802 1
1 366 . 11 1 1 A 39 39 LYS CB C 39 32.558 30.258 2.300 1
1 377 . 11 1 1 A 39 39 LYS C C 39 174.459 176.634 -2.175 1
1 378 . 11 1 1 A 40 40 PRO CA C 40 63.278 64.305 -1.027 1
1 379 . 11 1 1 A 40 40 PRO HA H 40 4.465 4.562 -0.097 1
1 380 . 11 1 1 A 40 40 PRO CB C 40 32.181 31.938 0.243 1
1 389 . 11 1 1 A 42 42 GLY CA C 42 44.677 45.000 -0.323 1
1 390 . 11 1 1 A 42 42 GLY HA2 H 42 4.162 4.140 0.022 1
1 391 . 11 1 1 A 42 42 GLY HA3 H 42 4.112 4.140 -0.028 1
1 392 . 11 1 1 A 43 43 PRO CA C 43 63.257 62.364 0.893 1
1 393 . 11 1 1 A 43 43 PRO HA H 43 4.479 4.600 -0.121 1
1 394 . 11 1 1 A 43 43 PRO CB C 43 32.210 32.888 -0.678 1
1 402 . 11 1 1 A 45 45 SER CA C 45 58.380 60.602 -2.222 1
1 403 . 11 1 1 A 45 45 SER HA H 45 4.440 4.328 0.112 1
1 404 . 11 1 1 A 45 45 SER CB C 45 64.123 63.579 0.544 1
1 406 . 11 1 1 A 45 45 SER C C 45 173.895 175.985 -2.090 1
1 1 . 12 1 1 A 7 7 GLY CA C 7 45.522 45.715 -0.193 1
1 2 . 12 1 1 A 7 7 GLY HA2 H 7 3.949 3.974 -0.025 1
1 3 . 12 1 1 A 7 7 GLY C C 7 174.326 174.757 -0.431 1
1 4 . 12 1 1 A 8 8 MET N N 8 119.786 111.412 8.374 1
1 5 . 12 1 1 A 8 8 MET H H 8 8.274 8.418 -0.144 1
1 6 . 12 1 1 A 8 8 MET CA C 8 55.569 56.998 -1.429 1
1 7 . 12 1 1 A 8 8 MET HA H 8 4.511 4.139 0.372 1
1 8 . 12 1 1 A 8 8 MET CB C 8 32.859 30.913 1.946 1
1 18 . 12 1 1 A 8 8 MET C C 8 176.789 175.573 1.216 1
1 19 . 12 1 1 A 9 9 GLY N N 9 110.120 106.654 3.466 1
1 20 . 12 1 1 A 9 9 GLY H H 9 8.454 8.058 0.396 1
1 21 . 12 1 1 A 9 9 GLY CA C 9 45.277 45.026 0.251 1
1 22 . 12 1 1 A 9 9 GLY HA2 H 9 3.956 4.014 -0.058 1
1 23 . 12 1 1 A 9 9 GLY HA3 H 9 3.956 4.017 -0.061 1
1 24 . 12 1 1 A 9 9 GLY C C 9 174.007 175.084 -1.077 1
1 25 . 12 1 1 A 10 10 GLU N N 10 120.558 120.787 -0.229 1
1 26 . 12 1 1 A 10 10 GLU H H 10 8.068 8.445 -0.377 1
1 27 . 12 1 1 A 10 10 GLU CA C 10 56.544 57.427 -0.883 1
1 28 . 12 1 1 A 10 10 GLU HA H 10 4.252 4.012 0.240 1
1 29 . 12 1 1 A 10 10 GLU CB C 10 30.579 28.465 2.114 1
1 35 . 12 1 1 A 10 10 GLU C C 10 176.309 175.477 0.832 1
1 36 . 12 1 1 A 11 11 LYS N N 11 122.155 111.321 10.834 1
1 37 . 12 1 1 A 11 11 LYS H H 11 8.398 8.438 -0.040 1
1 38 . 12 1 1 A 11 11 LYS CA C 11 55.910 57.286 -1.376 1
1 39 . 12 1 1 A 11 11 LYS HA H 11 4.245 3.964 0.281 1
1 40 . 12 1 1 A 11 11 LYS CB C 11 33.017 29.612 3.405 1
1 52 . 12 1 1 A 11 11 LYS C C 11 175.280 175.232 0.048 1
1 53 . 12 1 1 A 12 12 CYS N N 12 119.118 117.517 1.601 1
1 54 . 12 1 1 A 12 12 CYS H H 12 7.956 7.794 0.162 1
1 55 . 12 1 1 A 12 12 CYS CA C 12 57.559 58.276 -0.717 1
1 56 . 12 1 1 A 12 12 CYS HA H 12 4.542 4.605 -0.063 1
1 57 . 12 1 1 A 12 12 CYS CB C 12 28.894 26.639 2.255 1
1 60 . 12 1 1 A 12 12 CYS C C 12 172.990 173.642 -0.652 1
1 61 . 12 1 1 A 13 13 TYR N N 13 124.152 127.323 -3.171 1
1 62 . 12 1 1 A 13 13 TYR H H 13 8.727 8.753 -0.026 1
1 63 . 12 1 1 A 13 13 TYR CA C 13 57.441 59.286 -1.845 1
1 64 . 12 1 1 A 13 13 TYR HA H 13 4.601 4.747 -0.146 1
1 65 . 12 1 1 A 13 13 TYR CB C 13 39.188 38.793 0.395 1
1 76 . 12 1 1 A 13 13 TYR C C 13 174.171 175.449 -1.278 1
1 77 . 12 1 1 A 14 14 LYS N N 14 125.412 124.788 0.624 1
1 78 . 12 1 1 A 14 14 LYS H H 14 8.727 8.881 -0.154 1
1 79 . 12 1 1 A 14 14 LYS CA C 14 54.992 54.458 0.534 1
1 80 . 12 1 1 A 14 14 LYS HA H 14 5.102 5.403 -0.301 1
1 81 . 12 1 1 A 14 14 LYS CB C 14 36.167 36.626 -0.459 1
1 93 . 12 1 1 A 14 14 LYS C C 14 175.134 175.102 0.032 1
1 94 . 12 1 1 A 15 15 CYS N N 15 127.849 124.887 2.962 1
1 95 . 12 1 1 A 15 15 CYS H H 15 9.310 9.401 -0.091 1
1 96 . 12 1 1 A 15 15 CYS CA C 15 59.999 58.673 1.326 1
1 97 . 12 1 1 A 15 15 CYS HA H 15 4.533 4.639 -0.106 1
1 98 . 12 1 1 A 15 15 CYS CB C 15 29.661 28.930 0.731 1
1 101 . 12 1 1 A 15 15 CYS C C 15 176.848 175.511 1.337 1
1 102 . 12 1 1 A 16 16 ASP N N 16 115.181 127.933 -12.752 1
1 103 . 12 1 1 A 16 16 ASP H H 16 9.321 8.991 0.330 1
1 104 . 12 1 1 A 16 16 ASP CA C 16 56.333 56.963 -0.630 1
1 105 . 12 1 1 A 16 16 ASP HA H 16 4.447 4.435 0.012 1
1 106 . 12 1 1 A 16 16 ASP CB C 16 40.579 40.794 -0.215 1
1 109 . 12 1 1 A 16 16 ASP C C 16 175.969 178.429 -2.460 1
1 110 . 12 1 1 A 17 17 VAL N N 17 121.861 120.627 1.234 1
1 111 . 12 1 1 A 17 17 VAL H H 17 8.757 7.795 0.962 1
1 112 . 12 1 1 A 17 17 VAL CA C 17 65.159 66.726 -1.567 1
1 113 . 12 1 1 A 17 17 VAL HA H 17 3.797 3.473 0.324 1
1 114 . 12 1 1 A 17 17 VAL CB C 17 32.936 31.321 1.615 1
1 124 . 12 1 1 A 17 17 VAL C C 17 177.154 177.346 -0.192 1
1 125 . 12 1 1 A 18 18 CYS N N 18 115.378 114.830 0.548 1
1 126 . 12 1 1 A 18 18 CYS H H 18 8.044 7.485 0.559 1
1 127 . 12 1 1 A 18 18 CYS CA C 18 58.172 59.665 -1.493 1
1 128 . 12 1 1 A 18 18 CYS HA H 18 5.163 4.683 0.480 1
1 129 . 12 1 1 A 18 18 CYS CB C 18 32.784 29.949 2.835 1
1 132 . 12 1 1 A 18 18 CYS C C 18 176.540 175.419 1.121 1
1 133 . 12 1 1 A 19 19 GLY N N 19 113.425 109.718 3.707 1
1 134 . 12 1 1 A 19 19 GLY H H 19 8.066 7.928 0.138 1
1 135 . 12 1 1 A 19 19 GLY CA C 19 46.336 45.136 1.200 1
1 136 . 12 1 1 A 19 19 GLY HA2 H 19 4.269 4.068 0.201 1
1 137 . 12 1 1 A 19 19 GLY HA3 H 19 3.806 4.071 -0.265 1
1 138 . 12 1 1 A 19 19 GLY C C 19 173.558 174.511 -0.953 1
1 139 . 12 1 1 A 20 20 LYS N N 20 123.276 121.503 1.773 1
1 140 . 12 1 1 A 20 20 LYS H H 20 8.018 7.946 0.072 1
1 141 . 12 1 1 A 20 20 LYS CA C 20 58.465 55.724 2.741 1
1 142 . 12 1 1 A 20 20 LYS HA H 20 3.935 4.315 -0.380 1
1 143 . 12 1 1 A 20 20 LYS CB C 20 33.640 33.638 0.002 1
1 155 . 12 1 1 A 20 20 LYS C C 20 174.303 175.628 -1.325 1
1 156 . 12 1 1 A 21 21 GLU N N 21 120.572 124.248 -3.676 1
1 157 . 12 1 1 A 21 21 GLU H H 21 7.893 8.208 -0.315 1
1 158 . 12 1 1 A 21 21 GLU CA C 21 55.071 54.797 0.274 1
1 159 . 12 1 1 A 21 21 GLU HA H 21 4.863 5.214 -0.351 1
1 160 . 12 1 1 A 21 21 GLU CB C 21 32.738 33.165 -0.427 1
1 166 . 12 1 1 A 21 21 GLU C C 21 175.442 174.672 0.770 1
1 167 . 12 1 1 A 22 22 PHE N N 22 118.232 122.787 -4.555 1
1 168 . 12 1 1 A 22 22 PHE H H 22 8.808 9.497 -0.689 1
1 169 . 12 1 1 A 22 22 PHE CA C 22 56.999 56.891 0.108 1
1 170 . 12 1 1 A 22 22 PHE HA H 22 4.879 5.013 -0.134 1
1 171 . 12 1 1 A 22 22 PHE CB C 22 43.906 43.887 0.019 1
1 184 . 12 1 1 A 22 22 PHE C C 22 175.502 175.473 0.029 1
1 185 . 12 1 1 A 23 23 SER CA C 23 59.319 57.715 1.604 1
1 186 . 12 1 1 A 23 23 SER HA H 23 4.872 4.684 0.188 1
1 187 . 12 1 1 A 23 23 SER CB C 23 64.471 63.864 0.607 1
1 190 . 12 1 1 A 23 23 SER C C 23 174.157 173.501 0.656 1
1 191 . 12 1 1 A 24 24 GLN N N 24 115.876 120.469 -4.593 1
1 192 . 12 1 1 A 24 24 GLN H H 24 7.123 7.514 -0.391 1
1 193 . 12 1 1 A 24 24 GLN CA C 24 53.975 54.114 -0.139 1
1 194 . 12 1 1 A 24 24 GLN HA H 24 4.582 4.431 0.151 1
1 195 . 12 1 1 A 24 24 GLN CB C 24 31.867 31.029 0.838 1
1 204 . 12 1 1 A 24 24 GLN C C 24 175.839 175.622 0.217 1
1 205 . 12 1 1 A 25 25 SER CA C 25 61.060 61.448 -0.388 1
1 206 . 12 1 1 A 25 25 SER HA H 25 3.107 2.689 0.418 1
1 207 . 12 1 1 A 25 25 SER CB C 25 61.929 61.931 -0.002 1
1 210 . 12 1 1 A 26 26 SER CA C 26 61.019 62.100 -1.081 1
1 211 . 12 1 1 A 26 26 SER HA H 26 4.054 4.069 -0.015 1
1 212 . 12 1 1 A 26 26 SER CB C 26 61.700 63.120 -1.420 1
1 214 . 12 1 1 A 26 26 SER C C 26 176.800 176.617 0.183 1
1 215 . 12 1 1 A 27 27 HIS N N 27 120.923 119.296 1.627 1
1 216 . 12 1 1 A 27 27 HIS H H 27 6.656 7.943 -1.287 1
1 217 . 12 1 1 A 27 27 HIS CA C 27 56.877 58.666 -1.789 1
1 218 . 12 1 1 A 27 27 HIS HA H 27 4.465 4.229 0.236 1
1 219 . 12 1 1 A 27 27 HIS CB C 27 31.765 29.901 1.864 1
1 226 . 12 1 1 A 27 27 HIS C C 27 178.354 177.126 1.228 1
1 227 . 12 1 1 A 28 28 LEU N N 28 121.000 120.436 0.564 1
1 228 . 12 1 1 A 28 28 LEU H H 28 6.955 7.661 -0.706 1
1 229 . 12 1 1 A 28 28 LEU CA C 28 57.734 57.911 -0.177 1
1 230 . 12 1 1 A 28 28 LEU HA H 28 3.249 3.186 0.063 1
1 231 . 12 1 1 A 28 28 LEU CB C 28 40.290 41.861 -1.571 1
1 244 . 12 1 1 A 28 28 LEU C C 28 177.380 178.573 -1.193 1
1 245 . 12 1 1 A 29 29 GLN N N 29 118.542 117.856 0.686 1
1 246 . 12 1 1 A 29 29 GLN H H 29 8.074 7.903 0.171 1
1 247 . 12 1 1 A 29 29 GLN CA C 29 59.241 59.219 0.022 1
1 248 . 12 1 1 A 29 29 GLN HA H 29 4.078 3.950 0.128 1
1 249 . 12 1 1 A 29 29 GLN CB C 29 28.246 28.278 -0.032 1
1 258 . 12 1 1 A 29 29 GLN C C 29 179.270 178.615 0.655 1
1 259 . 12 1 1 A 30 30 THR N N 30 115.381 117.883 -2.502 1
1 260 . 12 1 1 A 30 30 THR H H 30 8.023 7.651 0.372 1
1 261 . 12 1 1 A 30 30 THR CA C 30 66.331 66.669 -0.338 1
1 262 . 12 1 1 A 30 30 THR HA H 30 3.857 3.916 -0.059 1
1 263 . 12 1 1 A 30 30 THR CB C 30 68.800 68.338 0.462 1
1 269 . 12 1 1 A 30 30 THR C C 30 176.560 176.182 0.378 1
1 270 . 12 1 1 A 31 31 HIS N N 31 121.437 121.303 0.134 1
1 271 . 12 1 1 A 31 31 HIS H H 31 7.611 7.669 -0.058 1
1 272 . 12 1 1 A 31 31 HIS CA C 31 59.124 60.378 -1.254 1
1 273 . 12 1 1 A 31 31 HIS HA H 31 4.227 4.141 0.086 1
1 274 . 12 1 1 A 31 31 HIS CB C 31 28.616 29.563 -0.947 1
1 281 . 12 1 1 A 31 31 HIS C C 31 175.895 177.355 -1.460 1
1 282 . 12 1 1 A 32 32 GLN N N 32 115.030 118.207 -3.177 1
1 283 . 12 1 1 A 32 32 GLN H H 32 8.285 8.551 -0.266 1
1 284 . 12 1 1 A 32 32 GLN CA C 32 59.440 58.665 0.775 1
1 285 . 12 1 1 A 32 32 GLN HA H 32 3.680 3.927 -0.247 1
1 286 . 12 1 1 A 32 32 GLN CB C 32 28.287 28.433 -0.146 1
1 295 . 12 1 1 A 32 32 GLN C C 32 177.393 178.563 -1.170 1
1 296 . 12 1 1 A 33 33 ARG N N 33 117.259 119.570 -2.311 1
1 297 . 12 1 1 A 33 33 ARG H H 33 7.113 7.678 -0.565 1
1 298 . 12 1 1 A 33 33 ARG CA C 33 58.407 58.792 -0.385 1
1 299 . 12 1 1 A 33 33 ARG HA H 33 4.158 4.275 -0.117 1
1 300 . 12 1 1 A 33 33 ARG CB C 33 29.987 29.835 0.152 1
1 309 . 12 1 1 A 33 33 ARG C C 33 178.523 178.685 -0.162 1
1 310 . 12 1 1 A 34 34 VAL N N 34 116.132 116.596 -0.464 1
1 311 . 12 1 1 A 34 34 VAL H H 34 7.926 7.531 0.395 1
1 312 . 12 1 1 A 34 34 VAL CA C 34 64.005 64.230 -0.225 1
1 313 . 12 1 1 A 34 34 VAL HA H 34 3.917 3.913 0.004 1
1 314 . 12 1 1 A 34 34 VAL CB C 34 31.133 31.067 0.066 1
1 324 . 12 1 1 A 34 34 VAL C C 34 177.246 176.304 0.942 1
1 325 . 12 1 1 A 35 35 HIS N N 35 116.613 118.583 -1.970 1
1 326 . 12 1 1 A 35 35 HIS H H 35 7.200 7.994 -0.794 1
1 327 . 12 1 1 A 35 35 HIS CA C 35 54.962 56.654 -1.692 1
1 328 . 12 1 1 A 35 35 HIS HA H 35 4.945 4.689 0.256 1
1 329 . 12 1 1 A 35 35 HIS CB C 35 28.553 31.677 -3.124 1
1 336 . 12 1 1 A 35 35 HIS C C 35 175.670 175.156 0.514 1
1 337 . 12 1 1 A 36 36 THR N N 36 112.053 111.587 0.466 1
1 338 . 12 1 1 A 36 36 THR H H 36 7.769 7.703 0.066 1
1 339 . 12 1 1 A 36 36 THR CA C 36 62.692 62.465 0.227 1
1 340 . 12 1 1 A 36 36 THR HA H 36 4.347 4.243 0.104 1
1 341 . 12 1 1 A 36 36 THR CB C 36 69.819 69.216 0.603 1
1 347 . 12 1 1 A 36 36 THR C C 36 175.500 174.833 0.667 1
1 348 . 12 1 1 A 37 37 GLY CA C 37 45.299 44.877 0.422 1
1 349 . 12 1 1 A 37 37 GLY HA2 H 37 3.936 4.003 -0.067 1
1 350 . 12 1 1 A 37 37 GLY C C 37 173.971 173.555 0.416 1
1 351 . 12 1 1 A 38 38 GLU N N 38 120.577 118.507 2.070 1
1 352 . 12 1 1 A 38 38 GLU H H 38 8.266 8.370 -0.104 1
1 353 . 12 1 1 A 38 38 GLU CA C 38 56.543 55.503 1.040 1
1 354 . 12 1 1 A 38 38 GLU HA H 38 4.272 4.945 -0.673 1
1 355 . 12 1 1 A 38 38 GLU CB C 38 30.449 30.876 -0.427 1
1 361 . 12 1 1 A 38 38 GLU C C 38 176.313 176.255 0.058 1
1 362 . 12 1 1 A 39 39 LYS N N 39 123.814 125.062 -1.248 1
1 363 . 12 1 1 A 39 39 LYS H H 39 8.418 8.831 -0.413 1
1 364 . 12 1 1 A 39 39 LYS CA C 39 54.156 61.114 -6.958 1
1 365 . 12 1 1 A 39 39 LYS HA H 39 4.611 4.118 0.493 1
1 366 . 12 1 1 A 39 39 LYS CB C 39 32.558 31.029 1.529 1
1 377 . 12 1 1 A 39 39 LYS C C 39 174.459 176.249 -1.790 1
1 378 . 12 1 1 A 40 40 PRO CA C 40 63.278 62.974 0.304 1
1 379 . 12 1 1 A 40 40 PRO HA H 40 4.465 4.441 0.024 1
1 380 . 12 1 1 A 40 40 PRO CB C 40 32.181 31.749 0.432 1
1 389 . 12 1 1 A 42 42 GLY CA C 42 44.677 46.953 -2.276 1
1 390 . 12 1 1 A 42 42 GLY HA2 H 42 4.162 3.915 0.247 1
1 391 . 12 1 1 A 42 42 GLY HA3 H 42 4.112 3.915 0.197 1
1 392 . 12 1 1 A 43 43 PRO CA C 43 63.257 63.982 -0.725 1
1 393 . 12 1 1 A 43 43 PRO HA H 43 4.479 4.520 -0.041 1
1 394 . 12 1 1 A 43 43 PRO CB C 43 32.210 31.780 0.430 1
1 402 . 12 1 1 A 45 45 SER CA C 45 58.380 57.970 0.410 1
1 403 . 12 1 1 A 45 45 SER HA H 45 4.440 4.931 -0.491 1
1 404 . 12 1 1 A 45 45 SER CB C 45 64.123 66.841 -2.718 1
1 406 . 12 1 1 A 45 45 SER C C 45 173.895 172.317 1.578 1
1 1 . 13 1 1 A 7 7 GLY CA C 7 45.522 44.545 0.977 1
1 2 . 13 1 1 A 7 7 GLY HA2 H 7 3.949 4.100 -0.151 1
1 3 . 13 1 1 A 7 7 GLY C C 7 174.326 172.530 1.796 1
1 4 . 13 1 1 A 8 8 MET N N 8 119.786 119.235 0.551 1
1 5 . 13 1 1 A 8 8 MET H H 8 8.274 8.505 -0.231 1
1 6 . 13 1 1 A 8 8 MET CA C 8 55.569 53.839 1.730 1
1 7 . 13 1 1 A 8 8 MET HA H 8 4.511 5.024 -0.513 1
1 8 . 13 1 1 A 8 8 MET CB C 8 32.859 35.084 -2.225 1
1 18 . 13 1 1 A 8 8 MET C C 8 176.789 176.356 0.433 1
1 19 . 13 1 1 A 9 9 GLY N N 9 110.120 112.420 -2.300 1
1 20 . 13 1 1 A 9 9 GLY H H 9 8.454 8.680 -0.226 1
1 21 . 13 1 1 A 9 9 GLY CA C 9 45.277 47.129 -1.852 1
1 22 . 13 1 1 A 9 9 GLY HA2 H 9 3.956 3.815 0.141 1
1 23 . 13 1 1 A 9 9 GLY HA3 H 9 3.956 3.817 0.139 1
1 24 . 13 1 1 A 9 9 GLY C C 9 174.007 174.903 -0.896 1
1 25 . 13 1 1 A 10 10 GLU N N 10 120.558 119.565 0.993 1
1 26 . 13 1 1 A 10 10 GLU H H 10 8.068 7.656 0.412 1
1 27 . 13 1 1 A 10 10 GLU CA C 10 56.544 57.232 -0.688 1
1 28 . 13 1 1 A 10 10 GLU HA H 10 4.252 4.144 0.108 1
1 29 . 13 1 1 A 10 10 GLU CB C 10 30.579 30.679 -0.100 1
1 35 . 13 1 1 A 10 10 GLU C C 10 176.309 176.692 -0.383 1
1 36 . 13 1 1 A 11 11 LYS N N 11 122.155 122.610 -0.455 1
1 37 . 13 1 1 A 11 11 LYS H H 11 8.398 8.458 -0.060 1
1 38 . 13 1 1 A 11 11 LYS CA C 11 55.910 55.419 0.491 1
1 39 . 13 1 1 A 11 11 LYS HA H 11 4.245 4.567 -0.322 1
1 40 . 13 1 1 A 11 11 LYS CB C 11 33.017 31.969 1.048 1
1 52 . 13 1 1 A 11 11 LYS C C 11 175.280 175.832 -0.552 1
1 53 . 13 1 1 A 12 12 CYS N N 12 119.118 116.023 3.095 1
1 54 . 13 1 1 A 12 12 CYS H H 12 7.956 7.926 0.030 1
1 55 . 13 1 1 A 12 12 CYS CA C 12 57.559 60.238 -2.679 1
1 56 . 13 1 1 A 12 12 CYS HA H 12 4.542 4.108 0.434 1
1 57 . 13 1 1 A 12 12 CYS CB C 12 28.894 26.272 2.622 1
1 60 . 13 1 1 A 12 12 CYS C C 12 172.990 173.579 -0.589 1
1 61 . 13 1 1 A 13 13 TYR N N 13 124.152 118.753 5.399 1
1 62 . 13 1 1 A 13 13 TYR H H 13 8.727 7.768 0.959 1
1 63 . 13 1 1 A 13 13 TYR CA C 13 57.441 58.967 -1.526 1
1 64 . 13 1 1 A 13 13 TYR HA H 13 4.601 4.534 0.067 1
1 65 . 13 1 1 A 13 13 TYR CB C 13 39.188 39.370 -0.182 1
1 76 . 13 1 1 A 13 13 TYR C C 13 174.171 175.748 -1.577 1
1 77 . 13 1 1 A 14 14 LYS N N 14 125.412 122.505 2.907 1
1 78 . 13 1 1 A 14 14 LYS H H 14 8.727 8.885 -0.158 1
1 79 . 13 1 1 A 14 14 LYS CA C 14 54.992 54.587 0.405 1
1 80 . 13 1 1 A 14 14 LYS HA H 14 5.102 5.531 -0.429 1
1 81 . 13 1 1 A 14 14 LYS CB C 14 36.167 36.301 -0.134 1
1 93 . 13 1 1 A 14 14 LYS C C 14 175.134 174.960 0.174 1
1 94 . 13 1 1 A 15 15 CYS N N 15 127.849 124.667 3.182 1
1 95 . 13 1 1 A 15 15 CYS H H 15 9.310 9.434 -0.124 1
1 96 . 13 1 1 A 15 15 CYS CA C 15 59.999 58.469 1.530 1
1 97 . 13 1 1 A 15 15 CYS HA H 15 4.533 4.742 -0.209 1
1 98 . 13 1 1 A 15 15 CYS CB C 15 29.661 27.721 1.940 1
1 101 . 13 1 1 A 15 15 CYS C C 15 176.848 175.416 1.432 1
1 102 . 13 1 1 A 16 16 ASP N N 16 115.181 127.576 -12.395 1
1 103 . 13 1 1 A 16 16 ASP H H 16 9.321 8.839 0.482 1
1 104 . 13 1 1 A 16 16 ASP CA C 16 56.333 54.050 2.283 1
1 105 . 13 1 1 A 16 16 ASP HA H 16 4.447 4.757 -0.310 1
1 106 . 13 1 1 A 16 16 ASP CB C 16 40.579 39.675 0.904 1
1 109 . 13 1 1 A 16 16 ASP C C 16 175.969 176.385 -0.416 1
1 110 . 13 1 1 A 17 17 VAL N N 17 121.861 118.238 3.623 1
1 111 . 13 1 1 A 17 17 VAL H H 17 8.757 8.148 0.609 1
1 112 . 13 1 1 A 17 17 VAL CA C 17 65.159 63.590 1.569 1
1 113 . 13 1 1 A 17 17 VAL HA H 17 3.797 4.191 -0.394 1
1 114 . 13 1 1 A 17 17 VAL CB C 17 32.936 33.828 -0.892 1
1 124 . 13 1 1 A 17 17 VAL C C 17 177.154 177.150 0.004 1
1 125 . 13 1 1 A 18 18 CYS N N 18 115.378 115.364 0.014 1
1 126 . 13 1 1 A 18 18 CYS H H 18 8.044 7.585 0.459 1
1 127 . 13 1 1 A 18 18 CYS CA C 18 58.172 59.257 -1.085 1
1 128 . 13 1 1 A 18 18 CYS HA H 18 5.163 4.681 0.482 1
1 129 . 13 1 1 A 18 18 CYS CB C 18 32.784 30.187 2.597 1
1 132 . 13 1 1 A 18 18 CYS C C 18 176.540 175.342 1.198 1
1 133 . 13 1 1 A 19 19 GLY N N 19 113.425 109.748 3.677 1
1 134 . 13 1 1 A 19 19 GLY H H 19 8.066 8.186 -0.120 1
1 135 . 13 1 1 A 19 19 GLY CA C 19 46.336 45.992 0.344 1
1 136 . 13 1 1 A 19 19 GLY HA2 H 19 4.269 4.045 0.224 1
1 137 . 13 1 1 A 19 19 GLY HA3 H 19 3.806 4.050 -0.244 1
1 138 . 13 1 1 A 19 19 GLY C C 19 173.558 173.552 0.006 1
1 139 . 13 1 1 A 20 20 LYS N N 20 123.276 120.766 2.510 1
1 140 . 13 1 1 A 20 20 LYS H H 20 8.018 7.859 0.159 1
1 141 . 13 1 1 A 20 20 LYS CA C 20 58.465 54.825 3.640 1
1 142 . 13 1 1 A 20 20 LYS HA H 20 3.935 4.830 -0.895 1
1 143 . 13 1 1 A 20 20 LYS CB C 20 33.640 35.666 -2.026 1
1 155 . 13 1 1 A 20 20 LYS C C 20 174.303 173.790 0.513 1
1 156 . 13 1 1 A 21 21 GLU N N 21 120.572 121.504 -0.932 1
1 157 . 13 1 1 A 21 21 GLU H H 21 7.893 8.211 -0.318 1
1 158 . 13 1 1 A 21 21 GLU CA C 21 55.071 54.669 0.402 1
1 159 . 13 1 1 A 21 21 GLU HA H 21 4.863 5.440 -0.577 1
1 160 . 13 1 1 A 21 21 GLU CB C 21 32.738 33.366 -0.628 1
1 166 . 13 1 1 A 21 21 GLU C C 21 175.442 174.987 0.455 1
1 167 . 13 1 1 A 22 22 PHE N N 22 118.232 122.885 -4.653 1
1 168 . 13 1 1 A 22 22 PHE H H 22 8.808 9.580 -0.772 1
1 169 . 13 1 1 A 22 22 PHE CA C 22 56.999 56.566 0.433 1
1 170 . 13 1 1 A 22 22 PHE HA H 22 4.879 5.104 -0.225 1
1 171 . 13 1 1 A 22 22 PHE CB C 22 43.906 43.659 0.247 1
1 184 . 13 1 1 A 22 22 PHE C C 22 175.502 175.353 0.149 1
1 185 . 13 1 1 A 23 23 SER CA C 23 59.319 59.518 -0.199 1
1 186 . 13 1 1 A 23 23 SER HA H 23 4.872 4.690 0.182 1
1 187 . 13 1 1 A 23 23 SER CB C 23 64.471 64.592 -0.121 1
1 190 . 13 1 1 A 23 23 SER C C 23 174.157 174.198 -0.041 1
1 191 . 13 1 1 A 24 24 GLN N N 24 115.876 120.334 -4.458 1
1 192 . 13 1 1 A 24 24 GLN H H 24 7.123 7.582 -0.459 1
1 193 . 13 1 1 A 24 24 GLN CA C 24 53.975 55.203 -1.228 1
1 194 . 13 1 1 A 24 24 GLN HA H 24 4.582 4.385 0.197 1
1 195 . 13 1 1 A 24 24 GLN CB C 24 31.867 30.029 1.838 1
1 204 . 13 1 1 A 24 24 GLN C C 24 175.839 176.332 -0.493 1
1 205 . 13 1 1 A 25 25 SER CA C 25 61.060 62.233 -1.173 1
1 206 . 13 1 1 A 25 25 SER HA H 25 3.107 4.211 -1.104 1
1 207 . 13 1 1 A 25 25 SER CB C 25 61.929 62.800 -0.871 1
1 210 . 13 1 1 A 26 26 SER CA C 26 61.019 61.456 -0.437 1
1 211 . 13 1 1 A 26 26 SER HA H 26 4.054 4.182 -0.128 1
1 212 . 13 1 1 A 26 26 SER CB C 26 61.700 62.500 -0.800 1
1 214 . 13 1 1 A 26 26 SER C C 26 176.800 176.901 -0.101 1
1 215 . 13 1 1 A 27 27 HIS N N 27 120.923 118.802 2.121 1
1 216 . 13 1 1 A 27 27 HIS H H 27 6.656 8.325 -1.669 1
1 217 . 13 1 1 A 27 27 HIS CA C 27 56.877 58.804 -1.927 1
1 218 . 13 1 1 A 27 27 HIS HA H 27 4.465 4.322 0.143 1
1 219 . 13 1 1 A 27 27 HIS CB C 27 31.765 29.663 2.102 1
1 226 . 13 1 1 A 27 27 HIS C C 27 178.354 177.242 1.112 1
1 227 . 13 1 1 A 28 28 LEU N N 28 121.000 120.432 0.568 1
1 228 . 13 1 1 A 28 28 LEU H H 28 6.955 7.520 -0.565 1
1 229 . 13 1 1 A 28 28 LEU CA C 28 57.734 57.448 0.286 1
1 230 . 13 1 1 A 28 28 LEU HA H 28 3.249 2.291 0.958 1
1 231 . 13 1 1 A 28 28 LEU CB C 28 40.290 41.443 -1.153 1
1 244 . 13 1 1 A 28 28 LEU C C 28 177.380 178.342 -0.962 1
1 245 . 13 1 1 A 29 29 GLN N N 29 118.542 117.645 0.897 1
1 246 . 13 1 1 A 29 29 GLN H H 29 8.074 7.687 0.387 1
1 247 . 13 1 1 A 29 29 GLN CA C 29 59.241 59.009 0.232 1
1 248 . 13 1 1 A 29 29 GLN HA H 29 4.078 3.823 0.255 1
1 249 . 13 1 1 A 29 29 GLN CB C 29 28.246 28.377 -0.131 1
1 258 . 13 1 1 A 29 29 GLN C C 29 179.270 178.543 0.727 1
1 259 . 13 1 1 A 30 30 THR N N 30 115.381 116.060 -0.679 1
1 260 . 13 1 1 A 30 30 THR H H 30 8.023 8.348 -0.325 1
1 261 . 13 1 1 A 30 30 THR CA C 30 66.331 66.417 -0.086 1
1 262 . 13 1 1 A 30 30 THR HA H 30 3.857 3.902 -0.045 1
1 263 . 13 1 1 A 30 30 THR CB C 30 68.800 68.535 0.265 1
1 269 . 13 1 1 A 30 30 THR C C 30 176.560 176.273 0.287 1
1 270 . 13 1 1 A 31 31 HIS N N 31 121.437 119.891 1.546 1
1 271 . 13 1 1 A 31 31 HIS H H 31 7.611 7.903 -0.292 1
1 272 . 13 1 1 A 31 31 HIS CA C 31 59.124 60.411 -1.287 1
1 273 . 13 1 1 A 31 31 HIS HA H 31 4.227 4.126 0.101 1
1 274 . 13 1 1 A 31 31 HIS CB C 31 28.616 29.631 -1.015 1
1 281 . 13 1 1 A 31 31 HIS C C 31 175.895 176.785 -0.890 1
1 282 . 13 1 1 A 32 32 GLN N N 32 115.030 117.402 -2.372 1
1 283 . 13 1 1 A 32 32 GLN H H 32 8.285 8.270 0.015 1
1 284 . 13 1 1 A 32 32 GLN CA C 32 59.440 58.858 0.582 1
1 285 . 13 1 1 A 32 32 GLN HA H 32 3.680 3.964 -0.284 1
1 286 . 13 1 1 A 32 32 GLN CB C 32 28.287 28.297 -0.010 1
1 295 . 13 1 1 A 32 32 GLN C C 32 177.393 178.505 -1.112 1
1 296 . 13 1 1 A 33 33 ARG N N 33 117.259 120.155 -2.896 1
1 297 . 13 1 1 A 33 33 ARG H H 33 7.113 8.086 -0.973 1
1 298 . 13 1 1 A 33 33 ARG CA C 33 58.407 59.064 -0.657 1
1 299 . 13 1 1 A 33 33 ARG HA H 33 4.158 4.051 0.107 1
1 300 . 13 1 1 A 33 33 ARG CB C 33 29.987 29.677 0.310 1
1 309 . 13 1 1 A 33 33 ARG C C 33 178.523 178.980 -0.457 1
1 310 . 13 1 1 A 34 34 VAL N N 34 116.132 116.850 -0.718 1
1 311 . 13 1 1 A 34 34 VAL H H 34 7.926 7.786 0.140 1
1 312 . 13 1 1 A 34 34 VAL CA C 34 64.005 64.133 -0.128 1
1 313 . 13 1 1 A 34 34 VAL HA H 34 3.917 3.771 0.146 1
1 314 . 13 1 1 A 34 34 VAL CB C 34 31.133 31.006 0.127 1
1 324 . 13 1 1 A 34 34 VAL C C 34 177.246 176.520 0.726 1
1 325 . 13 1 1 A 35 35 HIS N N 35 116.613 119.390 -2.777 1
1 326 . 13 1 1 A 35 35 HIS H H 35 7.200 7.804 -0.604 1
1 327 . 13 1 1 A 35 35 HIS CA C 35 54.962 55.578 -0.616 1
1 328 . 13 1 1 A 35 35 HIS HA H 35 4.945 4.817 0.128 1
1 329 . 13 1 1 A 35 35 HIS CB C 35 28.553 29.469 -0.916 1
1 336 . 13 1 1 A 35 35 HIS C C 35 175.670 175.003 0.667 1
1 337 . 13 1 1 A 36 36 THR N N 36 112.053 110.531 1.522 1
1 338 . 13 1 1 A 36 36 THR H H 36 7.769 7.926 -0.157 1
1 339 . 13 1 1 A 36 36 THR CA C 36 62.692 60.374 2.318 1
1 340 . 13 1 1 A 36 36 THR HA H 36 4.347 4.816 -0.469 1
1 341 . 13 1 1 A 36 36 THR CB C 36 69.819 70.017 -0.198 1
1 347 . 13 1 1 A 36 36 THR C C 36 175.500 173.358 2.142 1
1 348 . 13 1 1 A 37 37 GLY CA C 37 45.299 45.560 -0.261 1
1 349 . 13 1 1 A 37 37 GLY HA2 H 37 3.936 4.122 -0.186 1
1 350 . 13 1 1 A 37 37 GLY C C 37 173.971 173.263 0.708 1
1 351 . 13 1 1 A 38 38 GLU N N 38 120.577 122.930 -2.353 1
1 352 . 13 1 1 A 38 38 GLU H H 38 8.266 8.729 -0.463 1
1 353 . 13 1 1 A 38 38 GLU CA C 38 56.543 55.724 0.819 1
1 354 . 13 1 1 A 38 38 GLU HA H 38 4.272 4.743 -0.471 1
1 355 . 13 1 1 A 38 38 GLU CB C 38 30.449 30.308 0.141 1
1 361 . 13 1 1 A 38 38 GLU C C 38 176.313 176.717 -0.404 1
1 362 . 13 1 1 A 39 39 LYS N N 39 123.814 118.161 5.653 1
1 363 . 13 1 1 A 39 39 LYS H H 39 8.418 7.830 0.588 1
1 364 . 13 1 1 A 39 39 LYS CA C 39 54.156 53.780 0.376 1
1 365 . 13 1 1 A 39 39 LYS HA H 39 4.611 4.633 -0.022 1
1 366 . 13 1 1 A 39 39 LYS CB C 39 32.558 32.639 -0.081 1
1 377 . 13 1 1 A 39 39 LYS C C 39 174.459 176.339 -1.880 1
1 378 . 13 1 1 A 40 40 PRO CA C 40 63.278 63.983 -0.705 1
1 379 . 13 1 1 A 40 40 PRO HA H 40 4.465 4.540 -0.075 1
1 380 . 13 1 1 A 40 40 PRO CB C 40 32.181 31.806 0.375 1
1 389 . 13 1 1 A 42 42 GLY CA C 42 44.677 45.105 -0.428 1
1 390 . 13 1 1 A 42 42 GLY HA2 H 42 4.162 3.975 0.187 1
1 391 . 13 1 1 A 42 42 GLY HA3 H 42 4.112 3.976 0.136 1
1 392 . 13 1 1 A 43 43 PRO CA C 43 63.257 62.705 0.552 1
1 393 . 13 1 1 A 43 43 PRO HA H 43 4.479 4.533 -0.054 1
1 394 . 13 1 1 A 43 43 PRO CB C 43 32.210 32.136 0.074 1
1 402 . 13 1 1 A 45 45 SER CA C 45 58.380 60.238 -1.858 1
1 403 . 13 1 1 A 45 45 SER HA H 45 4.440 4.454 -0.014 1
1 404 . 13 1 1 A 45 45 SER CB C 45 64.123 63.314 0.809 1
1 406 . 13 1 1 A 45 45 SER C C 45 173.895 174.989 -1.094 1
1 1 . 14 1 1 A 7 7 GLY CA C 7 45.522 46.296 -0.774 1
1 2 . 14 1 1 A 7 7 GLY HA2 H 7 3.949 3.884 0.065 1
1 3 . 14 1 1 A 7 7 GLY C C 7 174.326 174.792 -0.466 1
1 4 . 14 1 1 A 8 8 MET N N 8 119.786 115.699 4.087 1
1 5 . 14 1 1 A 8 8 MET H H 8 8.274 8.014 0.260 1
1 6 . 14 1 1 A 8 8 MET CA C 8 55.569 54.721 0.848 1
1 7 . 14 1 1 A 8 8 MET HA H 8 4.511 4.469 0.042 1
1 8 . 14 1 1 A 8 8 MET CB C 8 32.859 31.776 1.083 1
1 18 . 14 1 1 A 8 8 MET C C 8 176.789 175.755 1.034 1
1 19 . 14 1 1 A 9 9 GLY N N 9 110.120 109.056 1.064 1
1 20 . 14 1 1 A 9 9 GLY H H 9 8.454 8.109 0.345 1
1 21 . 14 1 1 A 9 9 GLY CA C 9 45.277 44.591 0.686 1
1 22 . 14 1 1 A 9 9 GLY HA2 H 9 3.956 4.144 -0.188 1
1 23 . 14 1 1 A 9 9 GLY HA3 H 9 3.956 4.146 -0.190 1
1 24 . 14 1 1 A 9 9 GLY C C 9 174.007 172.272 1.735 1
1 25 . 14 1 1 A 10 10 GLU N N 10 120.558 123.532 -2.974 1
1 26 . 14 1 1 A 10 10 GLU H H 10 8.068 8.763 -0.695 1
1 27 . 14 1 1 A 10 10 GLU CA C 10 56.544 55.788 0.756 1
1 28 . 14 1 1 A 10 10 GLU HA H 10 4.252 4.710 -0.458 1
1 29 . 14 1 1 A 10 10 GLU CB C 10 30.579 31.949 -1.370 1
1 35 . 14 1 1 A 10 10 GLU C C 10 176.309 175.478 0.831 1
1 36 . 14 1 1 A 11 11 LYS N N 11 122.155 122.480 -0.325 1
1 37 . 14 1 1 A 11 11 LYS H H 11 8.398 8.969 -0.571 1
1 38 . 14 1 1 A 11 11 LYS CA C 11 55.910 55.315 0.595 1
1 39 . 14 1 1 A 11 11 LYS HA H 11 4.245 4.862 -0.617 1
1 40 . 14 1 1 A 11 11 LYS CB C 11 33.017 32.969 0.048 1
1 52 . 14 1 1 A 11 11 LYS C C 11 175.280 175.201 0.079 1
1 53 . 14 1 1 A 12 12 CYS N N 12 119.118 123.132 -4.014 1
1 54 . 14 1 1 A 12 12 CYS H H 12 7.956 8.837 -0.881 1
1 55 . 14 1 1 A 12 12 CYS CA C 12 57.559 57.552 0.007 1
1 56 . 14 1 1 A 12 12 CYS HA H 12 4.542 5.070 -0.528 1
1 57 . 14 1 1 A 12 12 CYS CB C 12 28.894 27.898 0.996 1
1 60 . 14 1 1 A 12 12 CYS C C 12 172.990 174.072 -1.082 1
1 61 . 14 1 1 A 13 13 TYR N N 13 124.152 124.320 -0.168 1
1 62 . 14 1 1 A 13 13 TYR H H 13 8.727 8.730 -0.003 1
1 63 . 14 1 1 A 13 13 TYR CA C 13 57.441 59.770 -2.329 1
1 64 . 14 1 1 A 13 13 TYR HA H 13 4.601 4.475 0.126 1
1 65 . 14 1 1 A 13 13 TYR CB C 13 39.188 38.591 0.597 1
1 76 . 14 1 1 A 13 13 TYR C C 13 174.171 175.360 -1.189 1
1 77 . 14 1 1 A 14 14 LYS N N 14 125.412 126.270 -0.858 1
1 78 . 14 1 1 A 14 14 LYS H H 14 8.727 8.668 0.059 1
1 79 . 14 1 1 A 14 14 LYS CA C 14 54.992 54.594 0.398 1
1 80 . 14 1 1 A 14 14 LYS HA H 14 5.102 5.050 0.052 1
1 81 . 14 1 1 A 14 14 LYS CB C 14 36.167 35.741 0.426 1
1 93 . 14 1 1 A 14 14 LYS C C 14 175.134 175.431 -0.297 1
1 94 . 14 1 1 A 15 15 CYS N N 15 127.849 125.228 2.621 1
1 95 . 14 1 1 A 15 15 CYS H H 15 9.310 9.358 -0.048 1
1 96 . 14 1 1 A 15 15 CYS CA C 15 59.999 58.400 1.599 1
1 97 . 14 1 1 A 15 15 CYS HA H 15 4.533 4.697 -0.164 1
1 98 . 14 1 1 A 15 15 CYS CB C 15 29.661 27.640 2.021 1
1 101 . 14 1 1 A 15 15 CYS C C 15 176.848 175.044 1.804 1
1 102 . 14 1 1 A 16 16 ASP N N 16 115.181 127.995 -12.814 1
1 103 . 14 1 1 A 16 16 ASP H H 16 9.321 8.907 0.414 1
1 104 . 14 1 1 A 16 16 ASP CA C 16 56.333 56.955 -0.622 1
1 105 . 14 1 1 A 16 16 ASP HA H 16 4.447 4.267 0.180 1
1 106 . 14 1 1 A 16 16 ASP CB C 16 40.579 40.693 -0.114 1
1 109 . 14 1 1 A 16 16 ASP C C 16 175.969 177.930 -1.961 1
1 110 . 14 1 1 A 17 17 VAL N N 17 121.861 119.135 2.726 1
1 111 . 14 1 1 A 17 17 VAL H H 17 8.757 7.915 0.842 1
1 112 . 14 1 1 A 17 17 VAL CA C 17 65.159 66.819 -1.660 1
1 113 . 14 1 1 A 17 17 VAL HA H 17 3.797 3.437 0.360 1
1 114 . 14 1 1 A 17 17 VAL CB C 17 32.936 31.365 1.571 1
1 124 . 14 1 1 A 17 17 VAL C C 17 177.154 177.832 -0.678 1
1 125 . 14 1 1 A 18 18 CYS N N 18 115.378 114.726 0.652 1
1 126 . 14 1 1 A 18 18 CYS H H 18 8.044 7.847 0.197 1
1 127 . 14 1 1 A 18 18 CYS CA C 18 58.172 59.715 -1.543 1
1 128 . 14 1 1 A 18 18 CYS HA H 18 5.163 4.556 0.607 1
1 129 . 14 1 1 A 18 18 CYS CB C 18 32.784 29.462 3.322 1
1 132 . 14 1 1 A 18 18 CYS C C 18 176.540 175.154 1.386 1
1 133 . 14 1 1 A 19 19 GLY N N 19 113.425 110.270 3.155 1
1 134 . 14 1 1 A 19 19 GLY H H 19 8.066 8.032 0.034 1
1 135 . 14 1 1 A 19 19 GLY CA C 19 46.336 45.159 1.177 1
1 136 . 14 1 1 A 19 19 GLY HA2 H 19 4.269 4.064 0.205 1
1 137 . 14 1 1 A 19 19 GLY HA3 H 19 3.806 4.074 -0.268 1
1 138 . 14 1 1 A 19 19 GLY C C 19 173.558 174.338 -0.780 1
1 139 . 14 1 1 A 20 20 LYS N N 20 123.276 121.620 1.656 1
1 140 . 14 1 1 A 20 20 LYS H H 20 8.018 7.900 0.118 1
1 141 . 14 1 1 A 20 20 LYS CA C 20 58.465 55.415 3.050 1
1 142 . 14 1 1 A 20 20 LYS HA H 20 3.935 4.492 -0.557 1
1 143 . 14 1 1 A 20 20 LYS CB C 20 33.640 33.952 -0.312 1
1 155 . 14 1 1 A 20 20 LYS C C 20 174.303 175.332 -1.029 1
1 156 . 14 1 1 A 21 21 GLU N N 21 120.572 121.862 -1.290 1
1 157 . 14 1 1 A 21 21 GLU H H 21 7.893 8.024 -0.131 1
1 158 . 14 1 1 A 21 21 GLU CA C 21 55.071 54.668 0.403 1
1 159 . 14 1 1 A 21 21 GLU HA H 21 4.863 5.004 -0.141 1
1 160 . 14 1 1 A 21 21 GLU CB C 21 32.738 34.102 -1.364 1
1 166 . 14 1 1 A 21 21 GLU C C 21 175.442 174.897 0.545 1
1 167 . 14 1 1 A 22 22 PHE N N 22 118.232 120.942 -2.710 1
1 168 . 14 1 1 A 22 22 PHE H H 22 8.808 8.965 -0.157 1
1 169 . 14 1 1 A 22 22 PHE CA C 22 56.999 57.114 -0.115 1
1 170 . 14 1 1 A 22 22 PHE HA H 22 4.879 4.993 -0.114 1
1 171 . 14 1 1 A 22 22 PHE CB C 22 43.906 43.570 0.336 1
1 184 . 14 1 1 A 22 22 PHE C C 22 175.502 175.412 0.090 1
1 185 . 14 1 1 A 23 23 SER CA C 23 59.319 58.482 0.837 1
1 186 . 14 1 1 A 23 23 SER HA H 23 4.872 4.614 0.258 1
1 187 . 14 1 1 A 23 23 SER CB C 23 64.471 63.426 1.045 1
1 190 . 14 1 1 A 23 23 SER C C 23 174.157 173.706 0.451 1
1 191 . 14 1 1 A 24 24 GLN N N 24 115.876 120.240 -4.364 1
1 192 . 14 1 1 A 24 24 GLN H H 24 7.123 7.474 -0.351 1
1 193 . 14 1 1 A 24 24 GLN CA C 24 53.975 54.171 -0.196 1
1 194 . 14 1 1 A 24 24 GLN HA H 24 4.582 4.424 0.158 1
1 195 . 14 1 1 A 24 24 GLN CB C 24 31.867 31.075 0.792 1
1 204 . 14 1 1 A 24 24 GLN C C 24 175.839 175.610 0.229 1
1 205 . 14 1 1 A 25 25 SER CA C 25 61.060 61.472 -0.412 1
1 206 . 14 1 1 A 25 25 SER HA H 25 3.107 2.805 0.302 1
1 207 . 14 1 1 A 25 25 SER CB C 25 61.929 61.968 -0.039 1
1 210 . 14 1 1 A 26 26 SER CA C 26 61.019 61.334 -0.315 1
1 211 . 14 1 1 A 26 26 SER HA H 26 4.054 4.195 -0.141 1
1 212 . 14 1 1 A 26 26 SER CB C 26 61.700 62.700 -1.000 1
1 214 . 14 1 1 A 26 26 SER C C 26 176.800 177.134 -0.334 1
1 215 . 14 1 1 A 27 27 HIS N N 27 120.923 119.719 1.204 1
1 216 . 14 1 1 A 27 27 HIS H H 27 6.656 7.870 -1.214 1
1 217 . 14 1 1 A 27 27 HIS CA C 27 56.877 58.700 -1.823 1
1 218 . 14 1 1 A 27 27 HIS HA H 27 4.465 4.261 0.204 1
1 219 . 14 1 1 A 27 27 HIS CB C 27 31.765 29.959 1.806 1
1 226 . 14 1 1 A 27 27 HIS C C 27 178.354 177.262 1.092 1
1 227 . 14 1 1 A 28 28 LEU N N 28 121.000 120.498 0.502 1
1 228 . 14 1 1 A 28 28 LEU H H 28 6.955 7.634 -0.679 1
1 229 . 14 1 1 A 28 28 LEU CA C 28 57.734 57.910 -0.176 1
1 230 . 14 1 1 A 28 28 LEU HA H 28 3.249 2.853 0.396 1
1 231 . 14 1 1 A 28 28 LEU CB C 28 40.290 41.967 -1.677 1
1 244 . 14 1 1 A 28 28 LEU C C 28 177.380 178.466 -1.086 1
1 245 . 14 1 1 A 29 29 GLN N N 29 118.542 117.671 0.871 1
1 246 . 14 1 1 A 29 29 GLN H H 29 8.074 8.037 0.037 1
1 247 . 14 1 1 A 29 29 GLN CA C 29 59.241 59.233 0.008 1
1 248 . 14 1 1 A 29 29 GLN HA H 29 4.078 3.928 0.150 1
1 249 . 14 1 1 A 29 29 GLN CB C 29 28.246 28.238 0.008 1
1 258 . 14 1 1 A 29 29 GLN C C 29 179.270 178.415 0.855 1
1 259 . 14 1 1 A 30 30 THR N N 30 115.381 117.505 -2.124 1
1 260 . 14 1 1 A 30 30 THR H H 30 8.023 7.983 0.040 1
1 261 . 14 1 1 A 30 30 THR CA C 30 66.331 66.384 -0.053 1
1 262 . 14 1 1 A 30 30 THR HA H 30 3.857 3.912 -0.055 1
1 263 . 14 1 1 A 30 30 THR CB C 30 68.800 68.259 0.541 1
1 269 . 14 1 1 A 30 30 THR C C 30 176.560 176.485 0.075 1
1 270 . 14 1 1 A 31 31 HIS N N 31 121.437 121.479 -0.042 1
1 271 . 14 1 1 A 31 31 HIS H H 31 7.611 7.798 -0.187 1
1 272 . 14 1 1 A 31 31 HIS CA C 31 59.124 60.071 -0.947 1
1 273 . 14 1 1 A 31 31 HIS HA H 31 4.227 4.210 0.017 1
1 274 . 14 1 1 A 31 31 HIS CB C 31 28.616 29.951 -1.335 1
1 281 . 14 1 1 A 31 31 HIS C C 31 175.895 177.326 -1.431 1
1 282 . 14 1 1 A 32 32 GLN N N 32 115.030 118.361 -3.331 1
1 283 . 14 1 1 A 32 32 GLN H H 32 8.285 8.458 -0.173 1
1 284 . 14 1 1 A 32 32 GLN CA C 32 59.440 58.924 0.516 1
1 285 . 14 1 1 A 32 32 GLN HA H 32 3.680 3.629 0.051 1
1 286 . 14 1 1 A 32 32 GLN CB C 32 28.287 28.124 0.163 1
1 295 . 14 1 1 A 32 32 GLN C C 32 177.393 178.148 -0.755 1
1 296 . 14 1 1 A 33 33 ARG N N 33 117.259 119.195 -1.936 1
1 297 . 14 1 1 A 33 33 ARG H H 33 7.113 7.778 -0.665 1
1 298 . 14 1 1 A 33 33 ARG CA C 33 58.407 58.403 0.004 1
1 299 . 14 1 1 A 33 33 ARG HA H 33 4.158 4.015 0.143 1
1 300 . 14 1 1 A 33 33 ARG CB C 33 29.987 30.057 -0.070 1
1 309 . 14 1 1 A 33 33 ARG C C 33 178.523 177.759 0.764 1
1 310 . 14 1 1 A 34 34 VAL N N 34 116.132 116.194 -0.062 1
1 311 . 14 1 1 A 34 34 VAL H H 34 7.926 7.610 0.316 1
1 312 . 14 1 1 A 34 34 VAL CA C 34 64.005 64.457 -0.452 1
1 313 . 14 1 1 A 34 34 VAL HA H 34 3.917 3.895 0.022 1
1 314 . 14 1 1 A 34 34 VAL CB C 34 31.133 31.685 -0.552 1
1 324 . 14 1 1 A 34 34 VAL C C 34 177.246 176.796 0.450 1
1 325 . 14 1 1 A 35 35 HIS N N 35 116.613 118.780 -2.167 1
1 326 . 14 1 1 A 35 35 HIS H H 35 7.200 7.627 -0.427 1
1 327 . 14 1 1 A 35 35 HIS CA C 35 54.962 57.593 -2.631 1
1 328 . 14 1 1 A 35 35 HIS HA H 35 4.945 4.432 0.513 1
1 329 . 14 1 1 A 35 35 HIS CB C 35 28.553 30.670 -2.117 1
1 336 . 14 1 1 A 35 35 HIS C C 35 175.670 175.206 0.464 1
1 337 . 14 1 1 A 36 36 THR N N 36 112.053 115.152 -3.099 1
1 338 . 14 1 1 A 36 36 THR H H 36 7.769 7.319 0.450 1
1 339 . 14 1 1 A 36 36 THR CA C 36 62.692 63.074 -0.382 1
1 340 . 14 1 1 A 36 36 THR HA H 36 4.347 4.176 0.171 1
1 341 . 14 1 1 A 36 36 THR CB C 36 69.819 69.465 0.354 1
1 347 . 14 1 1 A 36 36 THR C C 36 175.500 173.930 1.570 1
1 348 . 14 1 1 A 37 37 GLY CA C 37 45.299 45.763 -0.464 1
1 349 . 14 1 1 A 37 37 GLY HA2 H 37 3.936 4.209 -0.273 1
1 350 . 14 1 1 A 37 37 GLY C C 37 173.971 173.431 0.540 1
1 351 . 14 1 1 A 38 38 GLU N N 38 120.577 124.887 -4.310 1
1 352 . 14 1 1 A 38 38 GLU H H 38 8.266 8.734 -0.468 1
1 353 . 14 1 1 A 38 38 GLU CA C 38 56.543 56.734 -0.191 1
1 354 . 14 1 1 A 38 38 GLU HA H 38 4.272 4.751 -0.479 1
1 355 . 14 1 1 A 38 38 GLU CB C 38 30.449 29.547 0.902 1
1 361 . 14 1 1 A 38 38 GLU C C 38 176.313 176.724 -0.411 1
1 362 . 14 1 1 A 39 39 LYS N N 39 123.814 121.952 1.862 1
1 363 . 14 1 1 A 39 39 LYS H H 39 8.418 7.683 0.735 1
1 364 . 14 1 1 A 39 39 LYS CA C 39 54.156 61.167 -7.011 1
1 365 . 14 1 1 A 39 39 LYS HA H 39 4.611 4.061 0.550 1
1 366 . 14 1 1 A 39 39 LYS CB C 39 32.558 30.377 2.181 1
1 377 . 14 1 1 A 39 39 LYS C C 39 174.459 175.242 -0.783 1
1 378 . 14 1 1 A 40 40 PRO CA C 40 63.278 64.671 -1.393 1
1 379 . 14 1 1 A 40 40 PRO HA H 40 4.465 4.377 0.088 1
1 380 . 14 1 1 A 40 40 PRO CB C 40 32.181 32.044 0.137 1
1 389 . 14 1 1 A 42 42 GLY CA C 42 44.677 44.101 0.576 1
1 390 . 14 1 1 A 42 42 GLY HA2 H 42 4.162 4.353 -0.191 1
1 391 . 14 1 1 A 42 42 GLY HA3 H 42 4.112 4.353 -0.241 1
1 392 . 14 1 1 A 43 43 PRO CA C 43 63.257 63.958 -0.701 1
1 393 . 14 1 1 A 43 43 PRO HA H 43 4.479 4.535 -0.056 1
1 394 . 14 1 1 A 43 43 PRO CB C 43 32.210 31.597 0.613 1
1 402 . 14 1 1 A 45 45 SER CA C 45 58.380 56.284 2.096 1
1 403 . 14 1 1 A 45 45 SER HA H 45 4.440 5.116 -0.676 1
1 404 . 14 1 1 A 45 45 SER CB C 45 64.123 66.243 -2.120 1
1 406 . 14 1 1 A 45 45 SER C C 45 173.895 174.559 -0.664 1
1 1 . 15 1 1 A 7 7 GLY CA C 7 45.522 45.835 -0.313 1
1 2 . 15 1 1 A 7 7 GLY HA2 H 7 3.949 4.137 -0.188 1
1 3 . 15 1 1 A 7 7 GLY C C 7 174.326 171.823 2.503 1
1 4 . 15 1 1 A 8 8 MET N N 8 119.786 121.613 -1.827 1
1 5 . 15 1 1 A 8 8 MET H H 8 8.274 8.765 -0.491 1
1 6 . 15 1 1 A 8 8 MET CA C 8 55.569 54.053 1.516 1
1 7 . 15 1 1 A 8 8 MET HA H 8 4.511 5.105 -0.594 1
1 8 . 15 1 1 A 8 8 MET CB C 8 32.859 35.589 -2.730 1
1 18 . 15 1 1 A 8 8 MET C C 8 176.789 174.582 2.207 1
1 19 . 15 1 1 A 9 9 GLY N N 9 110.120 110.946 -0.826 1
1 20 . 15 1 1 A 9 9 GLY H H 9 8.454 8.582 -0.128 1
1 21 . 15 1 1 A 9 9 GLY CA C 9 45.277 44.861 0.416 1
1 22 . 15 1 1 A 9 9 GLY HA2 H 9 3.956 4.233 -0.277 1
1 23 . 15 1 1 A 9 9 GLY HA3 H 9 3.956 4.235 -0.279 1
1 24 . 15 1 1 A 9 9 GLY C C 9 174.007 174.805 -0.798 1
1 25 . 15 1 1 A 10 10 GLU N N 10 120.558 121.483 -0.925 1
1 26 . 15 1 1 A 10 10 GLU H H 10 8.068 8.862 -0.794 1
1 27 . 15 1 1 A 10 10 GLU CA C 10 56.544 57.970 -1.426 1
1 28 . 15 1 1 A 10 10 GLU HA H 10 4.252 4.254 -0.002 1
1 29 . 15 1 1 A 10 10 GLU CB C 10 30.579 30.439 0.140 1
1 35 . 15 1 1 A 10 10 GLU C C 10 176.309 176.746 -0.437 1
1 36 . 15 1 1 A 11 11 LYS N N 11 122.155 118.891 3.264 1
1 37 . 15 1 1 A 11 11 LYS H H 11 8.398 8.029 0.369 1
1 38 . 15 1 1 A 11 11 LYS CA C 11 55.910 54.993 0.917 1
1 39 . 15 1 1 A 11 11 LYS HA H 11 4.245 4.583 -0.338 1
1 40 . 15 1 1 A 11 11 LYS CB C 11 33.017 34.240 -1.223 1
1 52 . 15 1 1 A 11 11 LYS C C 11 175.280 175.182 0.098 1
1 53 . 15 1 1 A 12 12 CYS N N 12 119.118 123.671 -4.553 1
1 54 . 15 1 1 A 12 12 CYS H H 12 7.956 8.836 -0.880 1
1 55 . 15 1 1 A 12 12 CYS CA C 12 57.559 57.556 0.003 1
1 56 . 15 1 1 A 12 12 CYS HA H 12 4.542 5.121 -0.579 1
1 57 . 15 1 1 A 12 12 CYS CB C 12 28.894 28.633 0.261 1
1 60 . 15 1 1 A 12 12 CYS C C 12 172.990 173.253 -0.263 1
1 61 . 15 1 1 A 13 13 TYR N N 13 124.152 126.733 -2.581 1
1 62 . 15 1 1 A 13 13 TYR H H 13 8.727 8.810 -0.083 1
1 63 . 15 1 1 A 13 13 TYR CA C 13 57.441 58.051 -0.610 1
1 64 . 15 1 1 A 13 13 TYR HA H 13 4.601 4.908 -0.307 1
1 65 . 15 1 1 A 13 13 TYR CB C 13 39.188 38.147 1.041 1
1 76 . 15 1 1 A 13 13 TYR C C 13 174.171 174.963 -0.792 1
1 77 . 15 1 1 A 14 14 LYS N N 14 125.412 126.218 -0.806 1
1 78 . 15 1 1 A 14 14 LYS H H 14 8.727 8.911 -0.184 1
1 79 . 15 1 1 A 14 14 LYS CA C 14 54.992 54.682 0.310 1
1 80 . 15 1 1 A 14 14 LYS HA H 14 5.102 5.183 -0.081 1
1 81 . 15 1 1 A 14 14 LYS CB C 14 36.167 34.864 1.303 1
1 93 . 15 1 1 A 14 14 LYS C C 14 175.134 176.307 -1.173 1
1 94 . 15 1 1 A 15 15 CYS N N 15 127.849 125.498 2.351 1
1 95 . 15 1 1 A 15 15 CYS H H 15 9.310 8.931 0.379 1
1 96 . 15 1 1 A 15 15 CYS CA C 15 59.999 59.855 0.144 1
1 97 . 15 1 1 A 15 15 CYS HA H 15 4.533 4.671 -0.138 1
1 98 . 15 1 1 A 15 15 CYS CB C 15 29.661 28.604 1.057 1
1 101 . 15 1 1 A 15 15 CYS C C 15 176.848 175.447 1.401 1
1 102 . 15 1 1 A 16 16 ASP N N 16 115.181 128.042 -12.861 1
1 103 . 15 1 1 A 16 16 ASP H H 16 9.321 8.991 0.330 1
1 104 . 15 1 1 A 16 16 ASP CA C 16 56.333 54.044 2.289 1
1 105 . 15 1 1 A 16 16 ASP HA H 16 4.447 4.832 -0.385 1
1 106 . 15 1 1 A 16 16 ASP CB C 16 40.579 40.055 0.524 1
1 109 . 15 1 1 A 16 16 ASP C C 16 175.969 176.446 -0.477 1
1 110 . 15 1 1 A 17 17 VAL N N 17 121.861 118.206 3.655 1
1 111 . 15 1 1 A 17 17 VAL H H 17 8.757 8.037 0.720 1
1 112 . 15 1 1 A 17 17 VAL CA C 17 65.159 63.548 1.611 1
1 113 . 15 1 1 A 17 17 VAL HA H 17 3.797 4.182 -0.385 1
1 114 . 15 1 1 A 17 17 VAL CB C 17 32.936 33.700 -0.764 1
1 124 . 15 1 1 A 17 17 VAL C C 17 177.154 177.242 -0.088 1
1 125 . 15 1 1 A 18 18 CYS N N 18 115.378 115.624 -0.246 1
1 126 . 15 1 1 A 18 18 CYS H H 18 8.044 8.075 -0.031 1
1 127 . 15 1 1 A 18 18 CYS CA C 18 58.172 59.314 -1.142 1
1 128 . 15 1 1 A 18 18 CYS HA H 18 5.163 4.700 0.463 1
1 129 . 15 1 1 A 18 18 CYS CB C 18 32.784 30.195 2.589 1
1 132 . 15 1 1 A 18 18 CYS C C 18 176.540 175.465 1.075 1
1 133 . 15 1 1 A 19 19 GLY N N 19 113.425 109.916 3.509 1
1 134 . 15 1 1 A 19 19 GLY H H 19 8.066 8.064 0.002 1
1 135 . 15 1 1 A 19 19 GLY CA C 19 46.336 45.775 0.561 1
1 136 . 15 1 1 A 19 19 GLY HA2 H 19 4.269 4.063 0.206 1
1 137 . 15 1 1 A 19 19 GLY HA3 H 19 3.806 4.073 -0.267 1
1 138 . 15 1 1 A 19 19 GLY C C 19 173.558 174.149 -0.591 1
1 139 . 15 1 1 A 20 20 LYS N N 20 123.276 119.194 4.082 1
1 140 . 15 1 1 A 20 20 LYS H H 20 8.018 7.843 0.175 1
1 141 . 15 1 1 A 20 20 LYS CA C 20 58.465 55.011 3.454 1
1 142 . 15 1 1 A 20 20 LYS HA H 20 3.935 4.630 -0.695 1
1 143 . 15 1 1 A 20 20 LYS CB C 20 33.640 34.540 -0.900 1
1 155 . 15 1 1 A 20 20 LYS C C 20 174.303 175.237 -0.934 1
1 156 . 15 1 1 A 21 21 GLU N N 21 120.572 118.409 2.163 1
1 157 . 15 1 1 A 21 21 GLU H H 21 7.893 8.110 -0.217 1
1 158 . 15 1 1 A 21 21 GLU CA C 21 55.071 55.073 -0.002 1
1 159 . 15 1 1 A 21 21 GLU HA H 21 4.863 5.178 -0.315 1
1 160 . 15 1 1 A 21 21 GLU CB C 21 32.738 33.238 -0.500 1
1 166 . 15 1 1 A 21 21 GLU C C 21 175.442 174.613 0.829 1
1 167 . 15 1 1 A 22 22 PHE N N 22 118.232 122.851 -4.619 1
1 168 . 15 1 1 A 22 22 PHE H H 22 8.808 9.802 -0.994 1
1 169 . 15 1 1 A 22 22 PHE CA C 22 56.999 56.572 0.427 1
1 170 . 15 1 1 A 22 22 PHE HA H 22 4.879 5.075 -0.196 1
1 171 . 15 1 1 A 22 22 PHE CB C 22 43.906 43.628 0.278 1
1 184 . 15 1 1 A 22 22 PHE C C 22 175.502 175.821 -0.319 1
1 185 . 15 1 1 A 23 23 SER CA C 23 59.319 60.263 -0.944 1
1 186 . 15 1 1 A 23 23 SER HA H 23 4.872 4.695 0.177 1
1 187 . 15 1 1 A 23 23 SER CB C 23 64.471 64.470 0.001 1
1 190 . 15 1 1 A 23 23 SER C C 23 174.157 174.707 -0.550 1
1 191 . 15 1 1 A 24 24 GLN N N 24 115.876 119.486 -3.610 1
1 192 . 15 1 1 A 24 24 GLN H H 24 7.123 7.760 -0.637 1
1 193 . 15 1 1 A 24 24 GLN CA C 24 53.975 54.529 -0.554 1
1 194 . 15 1 1 A 24 24 GLN HA H 24 4.582 4.690 -0.108 1
1 195 . 15 1 1 A 24 24 GLN CB C 24 31.867 30.401 1.466 1
1 204 . 15 1 1 A 24 24 GLN C C 24 175.839 176.292 -0.453 1
1 205 . 15 1 1 A 25 25 SER CA C 25 61.060 61.063 -0.003 1
1 206 . 15 1 1 A 25 25 SER HA H 25 3.107 2.717 0.390 1
1 207 . 15 1 1 A 25 25 SER CB C 25 61.929 62.017 -0.088 1
1 210 . 15 1 1 A 26 26 SER CA C 26 61.019 62.252 -1.233 1
1 211 . 15 1 1 A 26 26 SER HA H 26 4.054 3.933 0.121 1
1 212 . 15 1 1 A 26 26 SER CB C 26 61.700 62.407 -0.707 1
1 214 . 15 1 1 A 26 26 SER C C 26 176.800 176.451 0.349 1
1 215 . 15 1 1 A 27 27 HIS N N 27 120.923 119.500 1.423 1
1 216 . 15 1 1 A 27 27 HIS H H 27 6.656 7.906 -1.250 1
1 217 . 15 1 1 A 27 27 HIS CA C 27 56.877 59.157 -2.280 1
1 218 . 15 1 1 A 27 27 HIS HA H 27 4.465 4.163 0.302 1
1 219 . 15 1 1 A 27 27 HIS CB C 27 31.765 30.100 1.665 1
1 226 . 15 1 1 A 27 27 HIS C C 27 178.354 177.097 1.257 1
1 227 . 15 1 1 A 28 28 LEU N N 28 121.000 120.349 0.651 1
1 228 . 15 1 1 A 28 28 LEU H H 28 6.955 7.273 -0.318 1
1 229 . 15 1 1 A 28 28 LEU CA C 28 57.734 57.446 0.288 1
1 230 . 15 1 1 A 28 28 LEU HA H 28 3.249 2.265 0.984 1
1 231 . 15 1 1 A 28 28 LEU CB C 28 40.290 41.266 -0.976 1
1 244 . 15 1 1 A 28 28 LEU C C 28 177.380 178.375 -0.995 1
1 245 . 15 1 1 A 29 29 GLN N N 29 118.542 117.811 0.731 1
1 246 . 15 1 1 A 29 29 GLN H H 29 8.074 8.123 -0.049 1
1 247 . 15 1 1 A 29 29 GLN CA C 29 59.241 59.125 0.116 1
1 248 . 15 1 1 A 29 29 GLN HA H 29 4.078 3.839 0.239 1
1 249 . 15 1 1 A 29 29 GLN CB C 29 28.246 28.222 0.024 1
1 258 . 15 1 1 A 29 29 GLN C C 29 179.270 178.429 0.841 1
1 259 . 15 1 1 A 30 30 THR N N 30 115.381 116.548 -1.167 1
1 260 . 15 1 1 A 30 30 THR H H 30 8.023 8.244 -0.221 1
1 261 . 15 1 1 A 30 30 THR CA C 30 66.331 66.516 -0.185 1
1 262 . 15 1 1 A 30 30 THR HA H 30 3.857 3.914 -0.057 1
1 263 . 15 1 1 A 30 30 THR CB C 30 68.800 68.495 0.305 1
1 269 . 15 1 1 A 30 30 THR C C 30 176.560 176.347 0.213 1
1 270 . 15 1 1 A 31 31 HIS N N 31 121.437 120.881 0.556 1
1 271 . 15 1 1 A 31 31 HIS H H 31 7.611 7.686 -0.075 1
1 272 . 15 1 1 A 31 31 HIS CA C 31 59.124 60.273 -1.149 1
1 273 . 15 1 1 A 31 31 HIS HA H 31 4.227 4.225 0.002 1
1 274 . 15 1 1 A 31 31 HIS CB C 31 28.616 29.677 -1.061 1
1 281 . 15 1 1 A 31 31 HIS C C 31 175.895 177.424 -1.529 1
1 282 . 15 1 1 A 32 32 GLN N N 32 115.030 117.411 -2.381 1
1 283 . 15 1 1 A 32 32 GLN H H 32 8.285 8.504 -0.219 1
1 284 . 15 1 1 A 32 32 GLN CA C 32 59.440 59.040 0.400 1
1 285 . 15 1 1 A 32 32 GLN HA H 32 3.680 3.784 -0.104 1
1 286 . 15 1 1 A 32 32 GLN CB C 32 28.287 28.324 -0.037 1
1 295 . 15 1 1 A 32 32 GLN C C 32 177.393 178.362 -0.969 1
1 296 . 15 1 1 A 33 33 ARG N N 33 117.259 120.098 -2.839 1
1 297 . 15 1 1 A 33 33 ARG H H 33 7.113 7.786 -0.673 1
1 298 . 15 1 1 A 33 33 ARG CA C 33 58.407 58.971 -0.564 1
1 299 . 15 1 1 A 33 33 ARG HA H 33 4.158 4.286 -0.128 1
1 300 . 15 1 1 A 33 33 ARG CB C 33 29.987 29.860 0.127 1
1 309 . 15 1 1 A 33 33 ARG C C 33 178.523 178.992 -0.469 1
1 310 . 15 1 1 A 34 34 VAL N N 34 116.132 116.322 -0.190 1
1 311 . 15 1 1 A 34 34 VAL H H 34 7.926 7.806 0.120 1
1 312 . 15 1 1 A 34 34 VAL CA C 34 64.005 64.461 -0.456 1
1 313 . 15 1 1 A 34 34 VAL HA H 34 3.917 3.672 0.245 1
1 314 . 15 1 1 A 34 34 VAL CB C 34 31.133 31.038 0.095 1
1 324 . 15 1 1 A 34 34 VAL C C 34 177.246 176.325 0.921 1
1 325 . 15 1 1 A 35 35 HIS N N 35 116.613 118.233 -1.620 1
1 326 . 15 1 1 A 35 35 HIS H H 35 7.200 7.872 -0.672 1
1 327 . 15 1 1 A 35 35 HIS CA C 35 54.962 56.735 -1.773 1
1 328 . 15 1 1 A 35 35 HIS HA H 35 4.945 4.635 0.310 1
1 329 . 15 1 1 A 35 35 HIS CB C 35 28.553 31.510 -2.957 1
1 336 . 15 1 1 A 35 35 HIS C C 35 175.670 175.223 0.447 1
1 337 . 15 1 1 A 36 36 THR N N 36 112.053 111.909 0.144 1
1 338 . 15 1 1 A 36 36 THR H H 36 7.769 7.358 0.411 1
1 339 . 15 1 1 A 36 36 THR CA C 36 62.692 61.775 0.917 1
1 340 . 15 1 1 A 36 36 THR HA H 36 4.347 4.175 0.172 1
1 341 . 15 1 1 A 36 36 THR CB C 36 69.819 70.312 -0.493 1
1 347 . 15 1 1 A 36 36 THR C C 36 175.500 175.671 -0.171 1
1 348 . 15 1 1 A 37 37 GLY CA C 37 45.299 47.514 -2.215 1
1 349 . 15 1 1 A 37 37 GLY HA2 H 37 3.936 3.820 0.116 1
1 350 . 15 1 1 A 37 37 GLY C C 37 173.971 175.065 -1.094 1
1 351 . 15 1 1 A 38 38 GLU N N 38 120.577 119.332 1.245 1
1 352 . 15 1 1 A 38 38 GLU H H 38 8.266 7.786 0.480 1
1 353 . 15 1 1 A 38 38 GLU CA C 38 56.543 55.802 0.741 1
1 354 . 15 1 1 A 38 38 GLU HA H 38 4.272 4.396 -0.124 1
1 355 . 15 1 1 A 38 38 GLU CB C 38 30.449 29.737 0.712 1
1 361 . 15 1 1 A 38 38 GLU C C 38 176.313 176.797 -0.484 1
1 362 . 15 1 1 A 39 39 LYS N N 39 123.814 120.576 3.238 1
1 363 . 15 1 1 A 39 39 LYS H H 39 8.418 8.470 -0.052 1
1 364 . 15 1 1 A 39 39 LYS CA C 39 54.156 53.746 0.410 1
1 365 . 15 1 1 A 39 39 LYS HA H 39 4.611 4.707 -0.096 1
1 366 . 15 1 1 A 39 39 LYS CB C 39 32.558 32.534 0.024 1
1 377 . 15 1 1 A 39 39 LYS C C 39 174.459 176.398 -1.939 1
1 378 . 15 1 1 A 40 40 PRO CA C 40 63.278 63.944 -0.666 1
1 379 . 15 1 1 A 40 40 PRO HA H 40 4.465 4.481 -0.016 1
1 380 . 15 1 1 A 40 40 PRO CB C 40 32.181 31.631 0.550 1
1 389 . 15 1 1 A 42 42 GLY CA C 42 44.677 43.938 0.739 1
1 390 . 15 1 1 A 42 42 GLY HA2 H 42 4.162 4.170 -0.008 1
1 391 . 15 1 1 A 42 42 GLY HA3 H 42 4.112 4.170 -0.058 1
1 392 . 15 1 1 A 43 43 PRO CA C 43 63.257 65.146 -1.889 1
1 393 . 15 1 1 A 43 43 PRO HA H 43 4.479 4.350 0.129 1
1 394 . 15 1 1 A 43 43 PRO CB C 43 32.210 31.553 0.657 1
1 402 . 15 1 1 A 45 45 SER CA C 45 58.380 56.267 2.113 1
1 403 . 15 1 1 A 45 45 SER HA H 45 4.440 4.887 -0.447 1
1 404 . 15 1 1 A 45 45 SER CB C 45 64.123 65.551 -1.428 1
1 406 . 15 1 1 A 45 45 SER C C 45 173.895 174.856 -0.961 1
1 1 . 16 1 1 A 7 7 GLY CA C 7 45.522 45.584 -0.062 1
1 2 . 16 1 1 A 7 7 GLY HA2 H 7 3.949 4.060 -0.111 1
1 3 . 16 1 1 A 7 7 GLY C C 7 174.326 174.232 0.094 1
1 4 . 16 1 1 A 8 8 MET N N 8 119.786 119.678 0.108 1
1 5 . 16 1 1 A 8 8 MET H H 8 8.274 8.047 0.227 1
1 6 . 16 1 1 A 8 8 MET CA C 8 55.569 54.277 1.292 1
1 7 . 16 1 1 A 8 8 MET HA H 8 4.511 4.695 -0.184 1
1 8 . 16 1 1 A 8 8 MET CB C 8 32.859 33.531 -0.672 1
1 18 . 16 1 1 A 8 8 MET C C 8 176.789 175.392 1.397 1
1 19 . 16 1 1 A 9 9 GLY N N 9 110.120 110.849 -0.729 1
1 20 . 16 1 1 A 9 9 GLY H H 9 8.454 8.593 -0.139 1
1 21 . 16 1 1 A 9 9 GLY CA C 9 45.277 45.196 0.081 1
1 22 . 16 1 1 A 9 9 GLY HA2 H 9 3.956 4.453 -0.497 1
1 23 . 16 1 1 A 9 9 GLY HA3 H 9 3.956 4.454 -0.498 1
1 24 . 16 1 1 A 9 9 GLY C C 9 174.007 172.111 1.896 1
1 25 . 16 1 1 A 10 10 GLU N N 10 120.558 122.003 -1.445 1
1 26 . 16 1 1 A 10 10 GLU H H 10 8.068 8.880 -0.812 1
1 27 . 16 1 1 A 10 10 GLU CA C 10 56.544 54.844 1.700 1
1 28 . 16 1 1 A 10 10 GLU HA H 10 4.252 4.852 -0.600 1
1 29 . 16 1 1 A 10 10 GLU CB C 10 30.579 32.865 -2.286 1
1 35 . 16 1 1 A 10 10 GLU C C 10 176.309 175.417 0.892 1
1 36 . 16 1 1 A 11 11 LYS N N 11 122.155 128.795 -6.640 1
1 37 . 16 1 1 A 11 11 LYS H H 11 8.398 8.750 -0.352 1
1 38 . 16 1 1 A 11 11 LYS CA C 11 55.910 57.506 -1.596 1
1 39 . 16 1 1 A 11 11 LYS HA H 11 4.245 4.296 -0.051 1
1 40 . 16 1 1 A 11 11 LYS CB C 11 33.017 33.205 -0.188 1
1 52 . 16 1 1 A 11 11 LYS C C 11 175.280 175.963 -0.683 1
1 53 . 16 1 1 A 12 12 CYS N N 12 119.118 126.960 -7.842 1
1 54 . 16 1 1 A 12 12 CYS H H 12 7.956 8.555 -0.599 1
1 55 . 16 1 1 A 12 12 CYS CA C 12 57.559 57.709 -0.150 1
1 56 . 16 1 1 A 12 12 CYS HA H 12 4.542 4.852 -0.310 1
1 57 . 16 1 1 A 12 12 CYS CB C 12 28.894 27.954 0.940 1
1 60 . 16 1 1 A 12 12 CYS C C 12 172.990 173.268 -0.278 1
1 61 . 16 1 1 A 13 13 TYR N N 13 124.152 127.815 -3.663 1
1 62 . 16 1 1 A 13 13 TYR H H 13 8.727 9.135 -0.408 1
1 63 . 16 1 1 A 13 13 TYR CA C 13 57.441 58.621 -1.180 1
1 64 . 16 1 1 A 13 13 TYR HA H 13 4.601 4.734 -0.133 1
1 65 . 16 1 1 A 13 13 TYR CB C 13 39.188 38.157 1.031 1
1 76 . 16 1 1 A 13 13 TYR C C 13 174.171 175.129 -0.958 1
1 77 . 16 1 1 A 14 14 LYS N N 14 125.412 126.132 -0.720 1
1 78 . 16 1 1 A 14 14 LYS H H 14 8.727 8.746 -0.019 1
1 79 . 16 1 1 A 14 14 LYS CA C 14 54.992 55.209 -0.217 1
1 80 . 16 1 1 A 14 14 LYS HA H 14 5.102 5.267 -0.165 1
1 81 . 16 1 1 A 14 14 LYS CB C 14 36.167 34.392 1.775 1
1 93 . 16 1 1 A 14 14 LYS C C 14 175.134 174.976 0.158 1
1 94 . 16 1 1 A 15 15 CYS N N 15 127.849 124.738 3.111 1
1 95 . 16 1 1 A 15 15 CYS H H 15 9.310 9.049 0.261 1
1 96 . 16 1 1 A 15 15 CYS CA C 15 59.999 57.379 2.620 1
1 97 . 16 1 1 A 15 15 CYS HA H 15 4.533 4.970 -0.437 1
1 98 . 16 1 1 A 15 15 CYS CB C 15 29.661 30.561 -0.900 1
1 101 . 16 1 1 A 15 15 CYS C C 15 176.848 175.366 1.482 1
1 102 . 16 1 1 A 16 16 ASP N N 16 115.181 129.610 -14.429 1
1 103 . 16 1 1 A 16 16 ASP H H 16 9.321 9.088 0.233 1
1 104 . 16 1 1 A 16 16 ASP CA C 16 56.333 56.607 -0.274 1
1 105 . 16 1 1 A 16 16 ASP HA H 16 4.447 4.334 0.113 1
1 106 . 16 1 1 A 16 16 ASP CB C 16 40.579 40.697 -0.118 1
1 109 . 16 1 1 A 16 16 ASP C C 16 175.969 177.915 -1.946 1
1 110 . 16 1 1 A 17 17 VAL N N 17 121.861 118.977 2.884 1
1 111 . 16 1 1 A 17 17 VAL H H 17 8.757 7.845 0.912 1
1 112 . 16 1 1 A 17 17 VAL CA C 17 65.159 66.808 -1.649 1
1 113 . 16 1 1 A 17 17 VAL HA H 17 3.797 3.435 0.362 1
1 114 . 16 1 1 A 17 17 VAL CB C 17 32.936 31.395 1.541 1
1 124 . 16 1 1 A 17 17 VAL C C 17 177.154 177.397 -0.243 1
1 125 . 16 1 1 A 18 18 CYS N N 18 115.378 114.879 0.499 1
1 126 . 16 1 1 A 18 18 CYS H H 18 8.044 7.922 0.122 1
1 127 . 16 1 1 A 18 18 CYS CA C 18 58.172 59.687 -1.515 1
1 128 . 16 1 1 A 18 18 CYS HA H 18 5.163 4.659 0.504 1
1 129 . 16 1 1 A 18 18 CYS CB C 18 32.784 29.905 2.879 1
1 132 . 16 1 1 A 18 18 CYS C C 18 176.540 175.410 1.130 1
1 133 . 16 1 1 A 19 19 GLY N N 19 113.425 109.766 3.659 1
1 134 . 16 1 1 A 19 19 GLY H H 19 8.066 7.962 0.104 1
1 135 . 16 1 1 A 19 19 GLY CA C 19 46.336 45.013 1.323 1
1 136 . 16 1 1 A 19 19 GLY HA2 H 19 4.269 4.089 0.180 1
1 137 . 16 1 1 A 19 19 GLY HA3 H 19 3.806 4.102 -0.296 1
1 138 . 16 1 1 A 19 19 GLY C C 19 173.558 174.530 -0.972 1
1 139 . 16 1 1 A 20 20 LYS N N 20 123.276 121.956 1.320 1
1 140 . 16 1 1 A 20 20 LYS H H 20 8.018 7.994 0.024 1
1 141 . 16 1 1 A 20 20 LYS CA C 20 58.465 55.834 2.631 1
1 142 . 16 1 1 A 20 20 LYS HA H 20 3.935 4.326 -0.391 1
1 143 . 16 1 1 A 20 20 LYS CB C 20 33.640 33.733 -0.093 1
1 155 . 16 1 1 A 20 20 LYS C C 20 174.303 175.494 -1.191 1
1 156 . 16 1 1 A 21 21 GLU N N 21 120.572 122.463 -1.891 1
1 157 . 16 1 1 A 21 21 GLU H H 21 7.893 8.202 -0.309 1
1 158 . 16 1 1 A 21 21 GLU CA C 21 55.071 54.950 0.121 1
1 159 . 16 1 1 A 21 21 GLU HA H 21 4.863 5.220 -0.357 1
1 160 . 16 1 1 A 21 21 GLU CB C 21 32.738 33.516 -0.778 1
1 166 . 16 1 1 A 21 21 GLU C C 21 175.442 174.709 0.733 1
1 167 . 16 1 1 A 22 22 PHE N N 22 118.232 123.095 -4.863 1
1 168 . 16 1 1 A 22 22 PHE H H 22 8.808 9.727 -0.919 1
1 169 . 16 1 1 A 22 22 PHE CA C 22 56.999 56.522 0.477 1
1 170 . 16 1 1 A 22 22 PHE HA H 22 4.879 5.032 -0.153 1
1 171 . 16 1 1 A 22 22 PHE CB C 22 43.906 43.414 0.492 1
1 184 . 16 1 1 A 22 22 PHE C C 22 175.502 175.739 -0.237 1
1 185 . 16 1 1 A 23 23 SER CA C 23 59.319 59.773 -0.454 1
1 186 . 16 1 1 A 23 23 SER HA H 23 4.872 4.640 0.232 1
1 187 . 16 1 1 A 23 23 SER CB C 23 64.471 64.565 -0.094 1
1 190 . 16 1 1 A 23 23 SER C C 23 174.157 174.320 -0.163 1
1 191 . 16 1 1 A 24 24 GLN N N 24 115.876 120.067 -4.191 1
1 192 . 16 1 1 A 24 24 GLN H H 24 7.123 7.512 -0.389 1
1 193 . 16 1 1 A 24 24 GLN CA C 24 53.975 54.534 -0.559 1
1 194 . 16 1 1 A 24 24 GLN HA H 24 4.582 4.216 0.366 1
1 195 . 16 1 1 A 24 24 GLN CB C 24 31.867 30.072 1.795 1
1 204 . 16 1 1 A 24 24 GLN C C 24 175.839 176.045 -0.206 1
1 205 . 16 1 1 A 25 25 SER CA C 25 61.060 61.485 -0.425 1
1 206 . 16 1 1 A 25 25 SER HA H 25 3.107 2.885 0.222 1
1 207 . 16 1 1 A 25 25 SER CB C 25 61.929 62.024 -0.095 1
1 210 . 16 1 1 A 26 26 SER CA C 26 61.019 61.350 -0.331 1
1 211 . 16 1 1 A 26 26 SER HA H 26 4.054 4.184 -0.130 1
1 212 . 16 1 1 A 26 26 SER CB C 26 61.700 62.667 -0.967 1
1 214 . 16 1 1 A 26 26 SER C C 26 176.800 177.251 -0.451 1
1 215 . 16 1 1 A 27 27 HIS N N 27 120.923 119.731 1.192 1
1 216 . 16 1 1 A 27 27 HIS H H 27 6.656 7.931 -1.275 1
1 217 . 16 1 1 A 27 27 HIS CA C 27 56.877 58.735 -1.858 1
1 218 . 16 1 1 A 27 27 HIS HA H 27 4.465 4.234 0.231 1
1 219 . 16 1 1 A 27 27 HIS CB C 27 31.765 29.777 1.988 1
1 226 . 16 1 1 A 27 27 HIS C C 27 178.354 177.198 1.156 1
1 227 . 16 1 1 A 28 28 LEU N N 28 121.000 120.418 0.582 1
1 228 . 16 1 1 A 28 28 LEU H H 28 6.955 7.511 -0.556 1
1 229 . 16 1 1 A 28 28 LEU CA C 28 57.734 57.688 0.046 1
1 230 . 16 1 1 A 28 28 LEU HA H 28 3.249 2.757 0.492 1
1 231 . 16 1 1 A 28 28 LEU CB C 28 40.290 41.850 -1.560 1
1 244 . 16 1 1 A 28 28 LEU C C 28 177.380 178.437 -1.057 1
1 245 . 16 1 1 A 29 29 GLN N N 29 118.542 117.892 0.650 1
1 246 . 16 1 1 A 29 29 GLN H H 29 8.074 7.908 0.166 1
1 247 . 16 1 1 A 29 29 GLN CA C 29 59.241 59.128 0.113 1
1 248 . 16 1 1 A 29 29 GLN HA H 29 4.078 3.912 0.166 1
1 249 . 16 1 1 A 29 29 GLN CB C 29 28.246 28.245 0.001 1
1 258 . 16 1 1 A 29 29 GLN C C 29 179.270 178.536 0.734 1
1 259 . 16 1 1 A 30 30 THR N N 30 115.381 117.911 -2.530 1
1 260 . 16 1 1 A 30 30 THR H H 30 8.023 7.788 0.235 1
1 261 . 16 1 1 A 30 30 THR CA C 30 66.331 66.754 -0.423 1
1 262 . 16 1 1 A 30 30 THR HA H 30 3.857 3.886 -0.029 1
1 263 . 16 1 1 A 30 30 THR CB C 30 68.800 68.472 0.328 1
1 269 . 16 1 1 A 30 30 THR C C 30 176.560 176.146 0.414 1
1 270 . 16 1 1 A 31 31 HIS N N 31 121.437 120.183 1.254 1
1 271 . 16 1 1 A 31 31 HIS H H 31 7.611 7.793 -0.182 1
1 272 . 16 1 1 A 31 31 HIS CA C 31 59.124 60.353 -1.229 1
1 273 . 16 1 1 A 31 31 HIS HA H 31 4.227 4.047 0.180 1
1 274 . 16 1 1 A 31 31 HIS CB C 31 28.616 29.646 -1.030 1
1 281 . 16 1 1 A 31 31 HIS C C 31 175.895 177.159 -1.264 1
1 282 . 16 1 1 A 32 32 GLN N N 32 115.030 117.617 -2.587 1
1 283 . 16 1 1 A 32 32 GLN H H 32 8.285 8.094 0.191 1
1 284 . 16 1 1 A 32 32 GLN CA C 32 59.440 58.763 0.677 1
1 285 . 16 1 1 A 32 32 GLN HA H 32 3.680 3.509 0.171 1
1 286 . 16 1 1 A 32 32 GLN CB C 32 28.287 28.289 -0.002 1
1 295 . 16 1 1 A 32 32 GLN C C 32 177.393 178.456 -1.063 1
1 296 . 16 1 1 A 33 33 ARG N N 33 117.259 119.678 -2.419 1
1 297 . 16 1 1 A 33 33 ARG H H 33 7.113 8.077 -0.964 1
1 298 . 16 1 1 A 33 33 ARG CA C 33 58.407 58.874 -0.467 1
1 299 . 16 1 1 A 33 33 ARG HA H 33 4.158 4.026 0.132 1
1 300 . 16 1 1 A 33 33 ARG CB C 33 29.987 29.814 0.173 1
1 309 . 16 1 1 A 33 33 ARG C C 33 178.523 178.890 -0.367 1
1 310 . 16 1 1 A 34 34 VAL N N 34 116.132 116.523 -0.391 1
1 311 . 16 1 1 A 34 34 VAL H H 34 7.926 7.684 0.242 1
1 312 . 16 1 1 A 34 34 VAL CA C 34 64.005 65.215 -1.210 1
1 313 . 16 1 1 A 34 34 VAL HA H 34 3.917 3.795 0.122 1
1 314 . 16 1 1 A 34 34 VAL CB C 34 31.133 31.171 -0.038 1
1 324 . 16 1 1 A 34 34 VAL C C 34 177.246 177.670 -0.424 1
1 325 . 16 1 1 A 35 35 HIS N N 35 116.613 119.455 -2.842 1
1 326 . 16 1 1 A 35 35 HIS H H 35 7.200 7.148 0.052 1
1 327 . 16 1 1 A 35 35 HIS CA C 35 54.962 58.332 -3.370 1
1 328 . 16 1 1 A 35 35 HIS HA H 35 4.945 4.376 0.569 1
1 329 . 16 1 1 A 35 35 HIS CB C 35 28.553 31.005 -2.452 1
1 336 . 16 1 1 A 35 35 HIS C C 35 175.670 175.202 0.468 1
1 337 . 16 1 1 A 36 36 THR N N 36 112.053 113.944 -1.891 1
1 338 . 16 1 1 A 36 36 THR H H 36 7.769 7.617 0.152 1
1 339 . 16 1 1 A 36 36 THR CA C 36 62.692 60.566 2.126 1
1 340 . 16 1 1 A 36 36 THR HA H 36 4.347 4.674 -0.327 1
1 341 . 16 1 1 A 36 36 THR CB C 36 69.819 71.428 -1.609 1
1 347 . 16 1 1 A 36 36 THR C C 36 175.500 174.327 1.173 1
1 348 . 16 1 1 A 37 37 GLY CA C 37 45.299 45.181 0.118 1
1 349 . 16 1 1 A 37 37 GLY HA2 H 37 3.936 4.124 -0.188 1
1 350 . 16 1 1 A 37 37 GLY C C 37 173.971 175.130 -1.159 1
1 351 . 16 1 1 A 38 38 GLU N N 38 120.577 119.129 1.448 1
1 352 . 16 1 1 A 38 38 GLU H H 38 8.266 8.215 0.051 1
1 353 . 16 1 1 A 38 38 GLU CA C 38 56.543 56.114 0.429 1
1 354 . 16 1 1 A 38 38 GLU HA H 38 4.272 4.544 -0.272 1
1 355 . 16 1 1 A 38 38 GLU CB C 38 30.449 29.848 0.601 1
1 361 . 16 1 1 A 38 38 GLU C C 38 176.313 176.855 -0.542 1
1 362 . 16 1 1 A 39 39 LYS N N 39 123.814 120.866 2.948 1
1 363 . 16 1 1 A 39 39 LYS H H 39 8.418 7.796 0.622 1
1 364 . 16 1 1 A 39 39 LYS CA C 39 54.156 61.469 -7.313 1
1 365 . 16 1 1 A 39 39 LYS HA H 39 4.611 4.129 0.482 1
1 366 . 16 1 1 A 39 39 LYS CB C 39 32.558 30.563 1.995 1
1 377 . 16 1 1 A 39 39 LYS C C 39 174.459 177.366 -2.907 1
1 378 . 16 1 1 A 40 40 PRO CA C 40 63.278 62.910 0.368 1
1 379 . 16 1 1 A 40 40 PRO HA H 40 4.465 4.572 -0.107 1
1 380 . 16 1 1 A 40 40 PRO CB C 40 32.181 29.953 2.228 1
1 389 . 16 1 1 A 42 42 GLY CA C 42 44.677 45.930 -1.253 1
1 390 . 16 1 1 A 42 42 GLY HA2 H 42 4.162 4.050 0.112 1
1 391 . 16 1 1 A 42 42 GLY HA3 H 42 4.112 4.050 0.062 1
1 392 . 16 1 1 A 43 43 PRO CA C 43 63.257 64.932 -1.675 1
1 393 . 16 1 1 A 43 43 PRO HA H 43 4.479 4.331 0.148 1
1 394 . 16 1 1 A 43 43 PRO CB C 43 32.210 31.797 0.413 1
1 402 . 16 1 1 A 45 45 SER CA C 45 58.380 59.574 -1.194 1
1 403 . 16 1 1 A 45 45 SER HA H 45 4.440 4.437 0.003 1
1 404 . 16 1 1 A 45 45 SER CB C 45 64.123 63.606 0.517 1
1 406 . 16 1 1 A 45 45 SER C C 45 173.895 174.827 -0.932 1
1 1 . 17 1 1 A 7 7 GLY CA C 7 45.522 44.734 0.788 1
1 2 . 17 1 1 A 7 7 GLY HA2 H 7 3.949 4.124 -0.175 1
1 3 . 17 1 1 A 7 7 GLY C C 7 174.326 173.606 0.720 1
1 4 . 17 1 1 A 8 8 MET N N 8 119.786 118.691 1.095 1
1 5 . 17 1 1 A 8 8 MET H H 8 8.274 8.994 -0.720 1
1 6 . 17 1 1 A 8 8 MET CA C 8 55.569 56.744 -1.175 1
1 7 . 17 1 1 A 8 8 MET HA H 8 4.511 4.198 0.313 1
1 8 . 17 1 1 A 8 8 MET CB C 8 32.859 31.630 1.229 1
1 18 . 17 1 1 A 8 8 MET C C 8 176.789 176.376 0.413 1
1 19 . 17 1 1 A 9 9 GLY N N 9 110.120 104.262 5.858 1
1 20 . 17 1 1 A 9 9 GLY H H 9 8.454 8.709 -0.255 1
1 21 . 17 1 1 A 9 9 GLY CA C 9 45.277 47.125 -1.848 1
1 22 . 17 1 1 A 9 9 GLY HA2 H 9 3.956 3.826 0.130 1
1 23 . 17 1 1 A 9 9 GLY HA3 H 9 3.956 3.827 0.129 1
1 24 . 17 1 1 A 9 9 GLY C C 9 174.007 173.954 0.053 1
1 25 . 17 1 1 A 10 10 GLU N N 10 120.558 125.331 -4.773 1
1 26 . 17 1 1 A 10 10 GLU H H 10 8.068 8.819 -0.751 1
1 27 . 17 1 1 A 10 10 GLU CA C 10 56.544 57.490 -0.946 1
1 28 . 17 1 1 A 10 10 GLU HA H 10 4.252 4.198 0.054 1
1 29 . 17 1 1 A 10 10 GLU CB C 10 30.579 30.155 0.424 1
1 35 . 17 1 1 A 10 10 GLU C C 10 176.309 176.733 -0.424 1
1 36 . 17 1 1 A 11 11 LYS N N 11 122.155 124.041 -1.886 1
1 37 . 17 1 1 A 11 11 LYS H H 11 8.398 8.356 0.042 1
1 38 . 17 1 1 A 11 11 LYS CA C 11 55.910 56.719 -0.809 1
1 39 . 17 1 1 A 11 11 LYS HA H 11 4.245 4.163 0.082 1
1 40 . 17 1 1 A 11 11 LYS CB C 11 33.017 32.800 0.217 1
1 52 . 17 1 1 A 11 11 LYS C C 11 175.280 176.285 -1.005 1
1 53 . 17 1 1 A 12 12 CYS N N 12 119.118 120.510 -1.392 1
1 54 . 17 1 1 A 12 12 CYS H H 12 7.956 8.821 -0.865 1
1 55 . 17 1 1 A 12 12 CYS CA C 12 57.559 58.117 -0.558 1
1 56 . 17 1 1 A 12 12 CYS HA H 12 4.542 5.183 -0.641 1
1 57 . 17 1 1 A 12 12 CYS CB C 12 28.894 29.873 -0.979 1
1 60 . 17 1 1 A 12 12 CYS C C 12 172.990 173.157 -0.167 1
1 61 . 17 1 1 A 13 13 TYR N N 13 124.152 127.005 -2.853 1
1 62 . 17 1 1 A 13 13 TYR H H 13 8.727 8.706 0.021 1
1 63 . 17 1 1 A 13 13 TYR CA C 13 57.441 57.989 -0.548 1
1 64 . 17 1 1 A 13 13 TYR HA H 13 4.601 4.959 -0.358 1
1 65 . 17 1 1 A 13 13 TYR CB C 13 39.188 38.254 0.934 1
1 76 . 17 1 1 A 13 13 TYR C C 13 174.171 175.101 -0.930 1
1 77 . 17 1 1 A 14 14 LYS N N 14 125.412 126.075 -0.663 1
1 78 . 17 1 1 A 14 14 LYS H H 14 8.727 8.843 -0.116 1
1 79 . 17 1 1 A 14 14 LYS CA C 14 54.992 54.579 0.413 1
1 80 . 17 1 1 A 14 14 LYS HA H 14 5.102 5.180 -0.078 1
1 81 . 17 1 1 A 14 14 LYS CB C 14 36.167 35.288 0.879 1
1 93 . 17 1 1 A 14 14 LYS C C 14 175.134 176.149 -1.015 1
1 94 . 17 1 1 A 15 15 CYS N N 15 127.849 125.327 2.522 1
1 95 . 17 1 1 A 15 15 CYS H H 15 9.310 9.425 -0.115 1
1 96 . 17 1 1 A 15 15 CYS CA C 15 59.999 59.429 0.570 1
1 97 . 17 1 1 A 15 15 CYS HA H 15 4.533 4.679 -0.146 1
1 98 . 17 1 1 A 15 15 CYS CB C 15 29.661 28.272 1.389 1
1 101 . 17 1 1 A 15 15 CYS C C 15 176.848 175.667 1.181 1
1 102 . 17 1 1 A 16 16 ASP N N 16 115.181 128.504 -13.323 1
1 103 . 17 1 1 A 16 16 ASP H H 16 9.321 9.116 0.205 1
1 104 . 17 1 1 A 16 16 ASP CA C 16 56.333 53.194 3.139 1
1 105 . 17 1 1 A 16 16 ASP HA H 16 4.447 4.798 -0.351 1
1 106 . 17 1 1 A 16 16 ASP CB C 16 40.579 39.739 0.840 1
1 109 . 17 1 1 A 16 16 ASP C C 16 175.969 177.038 -1.069 1
1 110 . 17 1 1 A 17 17 VAL N N 17 121.861 119.915 1.946 1
1 111 . 17 1 1 A 17 17 VAL H H 17 8.757 7.970 0.787 1
1 112 . 17 1 1 A 17 17 VAL CA C 17 65.159 63.703 1.456 1
1 113 . 17 1 1 A 17 17 VAL HA H 17 3.797 4.160 -0.363 1
1 114 . 17 1 1 A 17 17 VAL CB C 17 32.936 33.741 -0.805 1
1 124 . 17 1 1 A 17 17 VAL C C 17 177.154 177.258 -0.104 1
1 125 . 17 1 1 A 18 18 CYS N N 18 115.378 115.173 0.205 1
1 126 . 17 1 1 A 18 18 CYS H H 18 8.044 7.976 0.068 1
1 127 . 17 1 1 A 18 18 CYS CA C 18 58.172 59.347 -1.175 1
1 128 . 17 1 1 A 18 18 CYS HA H 18 5.163 4.619 0.544 1
1 129 . 17 1 1 A 18 18 CYS CB C 18 32.784 30.104 2.680 1
1 132 . 17 1 1 A 18 18 CYS C C 18 176.540 175.317 1.223 1
1 133 . 17 1 1 A 19 19 GLY N N 19 113.425 109.866 3.559 1
1 134 . 17 1 1 A 19 19 GLY H H 19 8.066 8.015 0.051 1
1 135 . 17 1 1 A 19 19 GLY CA C 19 46.336 45.204 1.132 1
1 136 . 17 1 1 A 19 19 GLY HA2 H 19 4.269 4.055 0.214 1
1 137 . 17 1 1 A 19 19 GLY HA3 H 19 3.806 4.060 -0.254 1
1 138 . 17 1 1 A 19 19 GLY C C 19 173.558 174.378 -0.820 1
1 139 . 17 1 1 A 20 20 LYS N N 20 123.276 121.354 1.922 1
1 140 . 17 1 1 A 20 20 LYS H H 20 8.018 7.875 0.143 1
1 141 . 17 1 1 A 20 20 LYS CA C 20 58.465 55.174 3.291 1
1 142 . 17 1 1 A 20 20 LYS HA H 20 3.935 4.634 -0.699 1
1 143 . 17 1 1 A 20 20 LYS CB C 20 33.640 34.352 -0.712 1
1 155 . 17 1 1 A 20 20 LYS C C 20 174.303 175.205 -0.902 1
1 156 . 17 1 1 A 21 21 GLU N N 21 120.572 124.158 -3.586 1
1 157 . 17 1 1 A 21 21 GLU H H 21 7.893 8.164 -0.271 1
1 158 . 17 1 1 A 21 21 GLU CA C 21 55.071 54.762 0.309 1
1 159 . 17 1 1 A 21 21 GLU HA H 21 4.863 5.266 -0.403 1
1 160 . 17 1 1 A 21 21 GLU CB C 21 32.738 33.522 -0.784 1
1 166 . 17 1 1 A 21 21 GLU C C 21 175.442 174.853 0.589 1
1 167 . 17 1 1 A 22 22 PHE N N 22 118.232 122.299 -4.067 1
1 168 . 17 1 1 A 22 22 PHE H H 22 8.808 9.290 -0.482 1
1 169 . 17 1 1 A 22 22 PHE CA C 22 56.999 56.860 0.139 1
1 170 . 17 1 1 A 22 22 PHE HA H 22 4.879 4.892 -0.013 1
1 171 . 17 1 1 A 22 22 PHE CB C 22 43.906 43.090 0.816 1
1 184 . 17 1 1 A 22 22 PHE C C 22 175.502 176.129 -0.627 1
1 185 . 17 1 1 A 23 23 SER CA C 23 59.319 61.221 -1.902 1
1 186 . 17 1 1 A 23 23 SER HA H 23 4.872 4.419 0.453 1
1 187 . 17 1 1 A 23 23 SER CB C 23 64.471 63.370 1.101 1
1 190 . 17 1 1 A 23 23 SER C C 23 174.157 174.941 -0.784 1
1 191 . 17 1 1 A 24 24 GLN N N 24 115.876 120.649 -4.773 1
1 192 . 17 1 1 A 24 24 GLN H H 24 7.123 7.605 -0.482 1
1 193 . 17 1 1 A 24 24 GLN CA C 24 53.975 54.165 -0.190 1
1 194 . 17 1 1 A 24 24 GLN HA H 24 4.582 4.365 0.217 1
1 195 . 17 1 1 A 24 24 GLN CB C 24 31.867 30.013 1.854 1
1 204 . 17 1 1 A 24 24 GLN C C 24 175.839 176.423 -0.584 1
1 205 . 17 1 1 A 25 25 SER CA C 25 61.060 61.239 -0.179 1
1 206 . 17 1 1 A 25 25 SER HA H 25 3.107 3.252 -0.145 1
1 207 . 17 1 1 A 25 25 SER CB C 25 61.929 62.205 -0.276 1
1 210 . 17 1 1 A 26 26 SER CA C 26 61.019 62.529 -1.510 1
1 211 . 17 1 1 A 26 26 SER HA H 26 4.054 4.075 -0.021 1
1 212 . 17 1 1 A 26 26 SER CB C 26 61.700 62.820 -1.120 1
1 214 . 17 1 1 A 26 26 SER C C 26 176.800 176.647 0.153 1
1 215 . 17 1 1 A 27 27 HIS N N 27 120.923 119.494 1.429 1
1 216 . 17 1 1 A 27 27 HIS H H 27 6.656 7.913 -1.257 1
1 217 . 17 1 1 A 27 27 HIS CA C 27 56.877 58.442 -1.565 1
1 218 . 17 1 1 A 27 27 HIS HA H 27 4.465 4.308 0.157 1
1 219 . 17 1 1 A 27 27 HIS CB C 27 31.765 29.530 2.235 1
1 226 . 17 1 1 A 27 27 HIS C C 27 178.354 176.989 1.365 1
1 227 . 17 1 1 A 28 28 LEU N N 28 121.000 120.582 0.418 1
1 228 . 17 1 1 A 28 28 LEU H H 28 6.955 7.674 -0.719 1
1 229 . 17 1 1 A 28 28 LEU CA C 28 57.734 57.080 0.654 1
1 230 . 17 1 1 A 28 28 LEU HA H 28 3.249 3.027 0.222 1
1 231 . 17 1 1 A 28 28 LEU CB C 28 40.290 42.020 -1.730 1
1 244 . 17 1 1 A 28 28 LEU C C 28 177.380 178.530 -1.150 1
1 245 . 17 1 1 A 29 29 GLN N N 29 118.542 116.798 1.744 1
1 246 . 17 1 1 A 29 29 GLN H H 29 8.074 8.024 0.050 1
1 247 . 17 1 1 A 29 29 GLN CA C 29 59.241 58.108 1.133 1
1 248 . 17 1 1 A 29 29 GLN HA H 29 4.078 4.107 -0.029 1
1 249 . 17 1 1 A 29 29 GLN CB C 29 28.246 28.432 -0.186 1
1 258 . 17 1 1 A 29 29 GLN C C 29 179.270 177.745 1.525 1
1 259 . 17 1 1 A 30 30 THR N N 30 115.381 116.620 -1.239 1
1 260 . 17 1 1 A 30 30 THR H H 30 8.023 7.997 0.026 1
1 261 . 17 1 1 A 30 30 THR CA C 30 66.331 66.608 -0.277 1
1 262 . 17 1 1 A 30 30 THR HA H 30 3.857 3.999 -0.142 1
1 263 . 17 1 1 A 30 30 THR CB C 30 68.800 68.152 0.648 1
1 269 . 17 1 1 A 30 30 THR C C 30 176.560 176.126 0.434 1
1 270 . 17 1 1 A 31 31 HIS N N 31 121.437 121.436 0.001 1
1 271 . 17 1 1 A 31 31 HIS H H 31 7.611 7.818 -0.207 1
1 272 . 17 1 1 A 31 31 HIS CA C 31 59.124 60.111 -0.987 1
1 273 . 17 1 1 A 31 31 HIS HA H 31 4.227 4.128 0.099 1
1 274 . 17 1 1 A 31 31 HIS CB C 31 28.616 29.567 -0.951 1
1 281 . 17 1 1 A 31 31 HIS C C 31 175.895 177.413 -1.518 1
1 282 . 17 1 1 A 32 32 GLN N N 32 115.030 117.886 -2.856 1
1 283 . 17 1 1 A 32 32 GLN H H 32 8.285 8.474 -0.189 1
1 284 . 17 1 1 A 32 32 GLN CA C 32 59.440 58.917 0.523 1
1 285 . 17 1 1 A 32 32 GLN HA H 32 3.680 3.836 -0.156 1
1 286 . 17 1 1 A 32 32 GLN CB C 32 28.287 28.434 -0.147 1
1 295 . 17 1 1 A 32 32 GLN C C 32 177.393 178.462 -1.069 1
1 296 . 17 1 1 A 33 33 ARG N N 33 117.259 120.114 -2.855 1
1 297 . 17 1 1 A 33 33 ARG H H 33 7.113 7.577 -0.464 1
1 298 . 17 1 1 A 33 33 ARG CA C 33 58.407 58.756 -0.349 1
1 299 . 17 1 1 A 33 33 ARG HA H 33 4.158 4.362 -0.204 1
1 300 . 17 1 1 A 33 33 ARG CB C 33 29.987 29.731 0.256 1
1 309 . 17 1 1 A 33 33 ARG C C 33 178.523 178.562 -0.039 1
1 310 . 17 1 1 A 34 34 VAL N N 34 116.132 116.719 -0.587 1
1 311 . 17 1 1 A 34 34 VAL H H 34 7.926 7.644 0.282 1
1 312 . 17 1 1 A 34 34 VAL CA C 34 64.005 64.524 -0.519 1
1 313 . 17 1 1 A 34 34 VAL HA H 34 3.917 3.838 0.079 1
1 314 . 17 1 1 A 34 34 VAL CB C 34 31.133 31.016 0.117 1
1 324 . 17 1 1 A 34 34 VAL C C 34 177.246 176.436 0.810 1
1 325 . 17 1 1 A 35 35 HIS N N 35 116.613 118.240 -1.627 1
1 326 . 17 1 1 A 35 35 HIS H H 35 7.200 7.998 -0.798 1
1 327 . 17 1 1 A 35 35 HIS CA C 35 54.962 56.776 -1.814 1
1 328 . 17 1 1 A 35 35 HIS HA H 35 4.945 4.653 0.292 1
1 329 . 17 1 1 A 35 35 HIS CB C 35 28.553 31.590 -3.037 1
1 336 . 17 1 1 A 35 35 HIS C C 35 175.670 175.220 0.450 1
1 337 . 17 1 1 A 36 36 THR N N 36 112.053 111.560 0.493 1
1 338 . 17 1 1 A 36 36 THR H H 36 7.769 7.524 0.245 1
1 339 . 17 1 1 A 36 36 THR CA C 36 62.692 62.255 0.437 1
1 340 . 17 1 1 A 36 36 THR HA H 36 4.347 4.178 0.169 1
1 341 . 17 1 1 A 36 36 THR CB C 36 69.819 69.772 0.047 1
1 347 . 17 1 1 A 36 36 THR C C 36 175.500 174.705 0.795 1
1 348 . 17 1 1 A 37 37 GLY CA C 37 45.299 44.838 0.461 1
1 349 . 17 1 1 A 37 37 GLY HA2 H 37 3.936 3.968 -0.032 1
1 350 . 17 1 1 A 37 37 GLY C C 37 173.971 173.349 0.622 1
1 351 . 17 1 1 A 38 38 GLU N N 38 120.577 119.526 1.051 1
1 352 . 17 1 1 A 38 38 GLU H H 38 8.266 8.446 -0.180 1
1 353 . 17 1 1 A 38 38 GLU CA C 38 56.543 55.388 1.155 1
1 354 . 17 1 1 A 38 38 GLU HA H 38 4.272 4.602 -0.330 1
1 355 . 17 1 1 A 38 38 GLU CB C 38 30.449 28.348 2.101 1
1 361 . 17 1 1 A 38 38 GLU C C 38 176.313 174.865 1.448 1
1 362 . 17 1 1 A 39 39 LYS N N 39 123.814 125.791 -1.977 1
1 363 . 17 1 1 A 39 39 LYS H H 39 8.418 8.534 -0.116 1
1 364 . 17 1 1 A 39 39 LYS CA C 39 54.156 53.750 0.406 1
1 365 . 17 1 1 A 39 39 LYS HA H 39 4.611 4.823 -0.212 1
1 366 . 17 1 1 A 39 39 LYS CB C 39 32.558 33.118 -0.560 1
1 377 . 17 1 1 A 39 39 LYS C C 39 174.459 174.719 -0.260 1
1 378 . 17 1 1 A 40 40 PRO CA C 40 63.278 63.591 -0.313 1
1 379 . 17 1 1 A 40 40 PRO HA H 40 4.465 4.460 0.005 1
1 380 . 17 1 1 A 40 40 PRO CB C 40 32.181 32.092 0.089 1
1 389 . 17 1 1 A 42 42 GLY CA C 42 44.677 45.494 -0.817 1
1 390 . 17 1 1 A 42 42 GLY HA2 H 42 4.162 4.097 0.065 1
1 391 . 17 1 1 A 42 42 GLY HA3 H 42 4.112 4.098 0.014 1
1 392 . 17 1 1 A 43 43 PRO CA C 43 63.257 65.041 -1.784 1
1 393 . 17 1 1 A 43 43 PRO HA H 43 4.479 4.321 0.158 1
1 394 . 17 1 1 A 43 43 PRO CB C 43 32.210 32.088 0.122 1
1 402 . 17 1 1 A 45 45 SER CA C 45 58.380 56.491 1.889 1
1 403 . 17 1 1 A 45 45 SER HA H 45 4.440 4.863 -0.423 1
1 404 . 17 1 1 A 45 45 SER CB C 45 64.123 65.797 -1.674 1
1 406 . 17 1 1 A 45 45 SER C C 45 173.895 173.279 0.616 1
1 1 . 18 1 1 A 7 7 GLY CA C 7 45.522 46.361 -0.839 1
1 2 . 18 1 1 A 7 7 GLY HA2 H 7 3.949 4.098 -0.149 1
1 3 . 18 1 1 A 7 7 GLY C C 7 174.326 173.385 0.941 1
1 4 . 18 1 1 A 8 8 MET N N 8 119.786 121.219 -1.433 1
1 5 . 18 1 1 A 8 8 MET H H 8 8.274 8.297 -0.023 1
1 6 . 18 1 1 A 8 8 MET CA C 8 55.569 55.499 0.070 1
1 7 . 18 1 1 A 8 8 MET HA H 8 4.511 4.738 -0.227 1
1 8 . 18 1 1 A 8 8 MET CB C 8 32.859 34.267 -1.408 1
1 18 . 18 1 1 A 8 8 MET C C 8 176.789 177.187 -0.398 1
1 19 . 18 1 1 A 9 9 GLY N N 9 110.120 109.546 0.574 1
1 20 . 18 1 1 A 9 9 GLY H H 9 8.454 8.511 -0.057 1
1 21 . 18 1 1 A 9 9 GLY CA C 9 45.277 45.683 -0.406 1
1 22 . 18 1 1 A 9 9 GLY HA2 H 9 3.956 3.992 -0.036 1
1 23 . 18 1 1 A 9 9 GLY HA3 H 9 3.956 3.994 -0.038 1
1 24 . 18 1 1 A 9 9 GLY C C 9 174.007 174.541 -0.534 1
1 25 . 18 1 1 A 10 10 GLU N N 10 120.558 121.403 -0.845 1
1 26 . 18 1 1 A 10 10 GLU H H 10 8.068 8.029 0.039 1
1 27 . 18 1 1 A 10 10 GLU CA C 10 56.544 57.134 -0.590 1
1 28 . 18 1 1 A 10 10 GLU HA H 10 4.252 4.321 -0.069 1
1 29 . 18 1 1 A 10 10 GLU CB C 10 30.579 30.660 -0.081 1
1 35 . 18 1 1 A 10 10 GLU C C 10 176.309 176.295 0.014 1
1 36 . 18 1 1 A 11 11 LYS N N 11 122.155 122.700 -0.545 1
1 37 . 18 1 1 A 11 11 LYS H H 11 8.398 8.544 -0.146 1
1 38 . 18 1 1 A 11 11 LYS CA C 11 55.910 57.113 -1.203 1
1 39 . 18 1 1 A 11 11 LYS HA H 11 4.245 4.348 -0.103 1
1 40 . 18 1 1 A 11 11 LYS CB C 11 33.017 32.618 0.399 1
1 52 . 18 1 1 A 11 11 LYS C C 11 175.280 176.113 -0.833 1
1 53 . 18 1 1 A 12 12 CYS N N 12 119.118 123.923 -4.805 1
1 54 . 18 1 1 A 12 12 CYS H H 12 7.956 8.730 -0.774 1
1 55 . 18 1 1 A 12 12 CYS CA C 12 57.559 57.472 0.087 1
1 56 . 18 1 1 A 12 12 CYS HA H 12 4.542 4.977 -0.435 1
1 57 . 18 1 1 A 12 12 CYS CB C 12 28.894 27.937 0.957 1
1 60 . 18 1 1 A 12 12 CYS C C 12 172.990 173.495 -0.505 1
1 61 . 18 1 1 A 13 13 TYR N N 13 124.152 125.846 -1.694 1
1 62 . 18 1 1 A 13 13 TYR H H 13 8.727 8.752 -0.025 1
1 63 . 18 1 1 A 13 13 TYR CA C 13 57.441 59.847 -2.406 1
1 64 . 18 1 1 A 13 13 TYR HA H 13 4.601 4.596 0.005 1
1 65 . 18 1 1 A 13 13 TYR CB C 13 39.188 39.299 -0.111 1
1 76 . 18 1 1 A 13 13 TYR C C 13 174.171 175.633 -1.462 1
1 77 . 18 1 1 A 14 14 LYS N N 14 125.412 123.951 1.461 1
1 78 . 18 1 1 A 14 14 LYS H H 14 8.727 8.752 -0.025 1
1 79 . 18 1 1 A 14 14 LYS CA C 14 54.992 54.504 0.488 1
1 80 . 18 1 1 A 14 14 LYS HA H 14 5.102 5.332 -0.230 1
1 81 . 18 1 1 A 14 14 LYS CB C 14 36.167 36.242 -0.075 1
1 93 . 18 1 1 A 14 14 LYS C C 14 175.134 174.284 0.850 1
1 94 . 18 1 1 A 15 15 CYS N N 15 127.849 124.280 3.569 1
1 95 . 18 1 1 A 15 15 CYS H H 15 9.310 9.303 0.007 1
1 96 . 18 1 1 A 15 15 CYS CA C 15 59.999 57.773 2.226 1
1 97 . 18 1 1 A 15 15 CYS HA H 15 4.533 4.898 -0.365 1
1 98 . 18 1 1 A 15 15 CYS CB C 15 29.661 30.108 -0.447 1
1 101 . 18 1 1 A 15 15 CYS C C 15 176.848 175.433 1.415 1
1 102 . 18 1 1 A 16 16 ASP N N 16 115.181 128.800 -13.619 1
1 103 . 18 1 1 A 16 16 ASP H H 16 9.321 9.294 0.027 1
1 104 . 18 1 1 A 16 16 ASP CA C 16 56.333 56.254 0.079 1
1 105 . 18 1 1 A 16 16 ASP HA H 16 4.447 4.429 0.018 1
1 106 . 18 1 1 A 16 16 ASP CB C 16 40.579 40.742 -0.163 1
1 109 . 18 1 1 A 16 16 ASP C C 16 175.969 178.125 -2.156 1
1 110 . 18 1 1 A 17 17 VAL N N 17 121.861 119.223 2.638 1
1 111 . 18 1 1 A 17 17 VAL H H 17 8.757 7.795 0.962 1
1 112 . 18 1 1 A 17 17 VAL CA C 17 65.159 66.743 -1.584 1
1 113 . 18 1 1 A 17 17 VAL HA H 17 3.797 3.459 0.338 1
1 114 . 18 1 1 A 17 17 VAL CB C 17 32.936 31.341 1.595 1
1 124 . 18 1 1 A 17 17 VAL C C 17 177.154 177.341 -0.187 1
1 125 . 18 1 1 A 18 18 CYS N N 18 115.378 114.891 0.487 1
1 126 . 18 1 1 A 18 18 CYS H H 18 8.044 7.958 0.086 1
1 127 . 18 1 1 A 18 18 CYS CA C 18 58.172 59.455 -1.283 1
1 128 . 18 1 1 A 18 18 CYS HA H 18 5.163 4.686 0.477 1
1 129 . 18 1 1 A 18 18 CYS CB C 18 32.784 30.040 2.744 1
1 132 . 18 1 1 A 18 18 CYS C C 18 176.540 175.323 1.217 1
1 133 . 18 1 1 A 19 19 GLY N N 19 113.425 110.203 3.222 1
1 134 . 18 1 1 A 19 19 GLY H H 19 8.066 8.047 0.019 1
1 135 . 18 1 1 A 19 19 GLY CA C 19 46.336 45.328 1.008 1
1 136 . 18 1 1 A 19 19 GLY HA2 H 19 4.269 4.052 0.217 1
1 137 . 18 1 1 A 19 19 GLY HA3 H 19 3.806 4.061 -0.255 1
1 138 . 18 1 1 A 19 19 GLY C C 19 173.558 174.406 -0.848 1
1 139 . 18 1 1 A 20 20 LYS N N 20 123.276 121.083 2.193 1
1 140 . 18 1 1 A 20 20 LYS H H 20 8.018 7.859 0.159 1
1 141 . 18 1 1 A 20 20 LYS CA C 20 58.465 55.221 3.244 1
1 142 . 18 1 1 A 20 20 LYS HA H 20 3.935 4.467 -0.532 1
1 143 . 18 1 1 A 20 20 LYS CB C 20 33.640 33.858 -0.218 1
1 155 . 18 1 1 A 20 20 LYS C C 20 174.303 175.207 -0.904 1
1 156 . 18 1 1 A 21 21 GLU N N 21 120.572 124.109 -3.537 1
1 157 . 18 1 1 A 21 21 GLU H H 21 7.893 7.954 -0.061 1
1 158 . 18 1 1 A 21 21 GLU CA C 21 55.071 54.744 0.327 1
1 159 . 18 1 1 A 21 21 GLU HA H 21 4.863 5.038 -0.175 1
1 160 . 18 1 1 A 21 21 GLU CB C 21 32.738 33.319 -0.581 1
1 166 . 18 1 1 A 21 21 GLU C C 21 175.442 174.597 0.845 1
1 167 . 18 1 1 A 22 22 PHE N N 22 118.232 122.751 -4.519 1
1 168 . 18 1 1 A 22 22 PHE H H 22 8.808 9.329 -0.521 1
1 169 . 18 1 1 A 22 22 PHE CA C 22 56.999 56.933 0.066 1
1 170 . 18 1 1 A 22 22 PHE HA H 22 4.879 4.990 -0.111 1
1 171 . 18 1 1 A 22 22 PHE CB C 22 43.906 43.783 0.123 1
1 184 . 18 1 1 A 22 22 PHE C C 22 175.502 175.617 -0.115 1
1 185 . 18 1 1 A 23 23 SER CA C 23 59.319 60.477 -1.158 1
1 186 . 18 1 1 A 23 23 SER HA H 23 4.872 4.433 0.439 1
1 187 . 18 1 1 A 23 23 SER CB C 23 64.471 63.946 0.525 1
1 190 . 18 1 1 A 23 23 SER C C 23 174.157 173.727 0.430 1
1 191 . 18 1 1 A 24 24 GLN N N 24 115.876 118.472 -2.596 1
1 192 . 18 1 1 A 24 24 GLN H H 24 7.123 7.511 -0.388 1
1 193 . 18 1 1 A 24 24 GLN CA C 24 53.975 54.443 -0.468 1
1 194 . 18 1 1 A 24 24 GLN HA H 24 4.582 4.515 0.067 1
1 195 . 18 1 1 A 24 24 GLN CB C 24 31.867 30.194 1.673 1
1 204 . 18 1 1 A 24 24 GLN C C 24 175.839 176.327 -0.488 1
1 205 . 18 1 1 A 25 25 SER CA C 25 61.060 61.190 -0.130 1
1 206 . 18 1 1 A 25 25 SER HA H 25 3.107 3.537 -0.430 1
1 207 . 18 1 1 A 25 25 SER CB C 25 61.929 62.525 -0.596 1
1 210 . 18 1 1 A 26 26 SER CA C 26 61.019 61.722 -0.703 1
1 211 . 18 1 1 A 26 26 SER HA H 26 4.054 4.272 -0.218 1
1 212 . 18 1 1 A 26 26 SER CB C 26 61.700 62.659 -0.959 1
1 214 . 18 1 1 A 26 26 SER C C 26 176.800 177.217 -0.417 1
1 215 . 18 1 1 A 27 27 HIS N N 27 120.923 118.900 2.023 1
1 216 . 18 1 1 A 27 27 HIS H H 27 6.656 8.072 -1.416 1
1 217 . 18 1 1 A 27 27 HIS CA C 27 56.877 58.803 -1.926 1
1 218 . 18 1 1 A 27 27 HIS HA H 27 4.465 4.266 0.199 1
1 219 . 18 1 1 A 27 27 HIS CB C 27 31.765 30.057 1.708 1
1 226 . 18 1 1 A 27 27 HIS C C 27 178.354 177.252 1.102 1
1 227 . 18 1 1 A 28 28 LEU N N 28 121.000 120.548 0.452 1
1 228 . 18 1 1 A 28 28 LEU H H 28 6.955 7.983 -1.028 1
1 229 . 18 1 1 A 28 28 LEU CA C 28 57.734 57.882 -0.148 1
1 230 . 18 1 1 A 28 28 LEU HA H 28 3.249 2.852 0.397 1
1 231 . 18 1 1 A 28 28 LEU CB C 28 40.290 41.825 -1.535 1
1 244 . 18 1 1 A 28 28 LEU C C 28 177.380 178.507 -1.127 1
1 245 . 18 1 1 A 29 29 GLN N N 29 118.542 117.910 0.632 1
1 246 . 18 1 1 A 29 29 GLN H H 29 8.074 8.071 0.003 1
1 247 . 18 1 1 A 29 29 GLN CA C 29 59.241 59.235 0.006 1
1 248 . 18 1 1 A 29 29 GLN HA H 29 4.078 3.931 0.147 1
1 249 . 18 1 1 A 29 29 GLN CB C 29 28.246 28.151 0.095 1
1 258 . 18 1 1 A 29 29 GLN C C 29 179.270 178.590 0.680 1
1 259 . 18 1 1 A 30 30 THR N N 30 115.381 117.951 -2.570 1
1 260 . 18 1 1 A 30 30 THR H H 30 8.023 7.862 0.161 1
1 261 . 18 1 1 A 30 30 THR CA C 30 66.331 66.578 -0.247 1
1 262 . 18 1 1 A 30 30 THR HA H 30 3.857 3.944 -0.087 1
1 263 . 18 1 1 A 30 30 THR CB C 30 68.800 68.425 0.375 1
1 269 . 18 1 1 A 30 30 THR C C 30 176.560 176.315 0.245 1
1 270 . 18 1 1 A 31 31 HIS N N 31 121.437 121.093 0.344 1
1 271 . 18 1 1 A 31 31 HIS H H 31 7.611 7.948 -0.337 1
1 272 . 18 1 1 A 31 31 HIS CA C 31 59.124 60.283 -1.159 1
1 273 . 18 1 1 A 31 31 HIS HA H 31 4.227 4.115 0.112 1
1 274 . 18 1 1 A 31 31 HIS CB C 31 28.616 29.603 -0.987 1
1 281 . 18 1 1 A 31 31 HIS C C 31 175.895 176.797 -0.902 1
1 282 . 18 1 1 A 32 32 GLN N N 32 115.030 117.198 -2.168 1
1 283 . 18 1 1 A 32 32 GLN H H 32 8.285 8.215 0.070 1
1 284 . 18 1 1 A 32 32 GLN CA C 32 59.440 58.962 0.478 1
1 285 . 18 1 1 A 32 32 GLN HA H 32 3.680 3.592 0.088 1
1 286 . 18 1 1 A 32 32 GLN CB C 32 28.287 28.212 0.075 1
1 295 . 18 1 1 A 32 32 GLN C C 32 177.393 178.353 -0.960 1
1 296 . 18 1 1 A 33 33 ARG N N 33 117.259 120.077 -2.818 1
1 297 . 18 1 1 A 33 33 ARG H H 33 7.113 8.014 -0.901 1
1 298 . 18 1 1 A 33 33 ARG CA C 33 58.407 58.907 -0.500 1
1 299 . 18 1 1 A 33 33 ARG HA H 33 4.158 3.968 0.190 1
1 300 . 18 1 1 A 33 33 ARG CB C 33 29.987 29.773 0.214 1
1 309 . 18 1 1 A 33 33 ARG C C 33 178.523 178.676 -0.153 1
1 310 . 18 1 1 A 34 34 VAL N N 34 116.132 116.273 -0.141 1
1 311 . 18 1 1 A 34 34 VAL H H 34 7.926 7.717 0.209 1
1 312 . 18 1 1 A 34 34 VAL CA C 34 64.005 65.215 -1.210 1
1 313 . 18 1 1 A 34 34 VAL HA H 34 3.917 3.703 0.214 1
1 314 . 18 1 1 A 34 34 VAL CB C 34 31.133 31.355 -0.222 1
1 324 . 18 1 1 A 34 34 VAL C C 34 177.246 178.155 -0.909 1
1 325 . 18 1 1 A 35 35 HIS N N 35 116.613 119.820 -3.207 1
1 326 . 18 1 1 A 35 35 HIS H H 35 7.200 7.580 -0.380 1
1 327 . 18 1 1 A 35 35 HIS CA C 35 54.962 58.706 -3.744 1
1 328 . 18 1 1 A 35 35 HIS HA H 35 4.945 4.376 0.569 1
1 329 . 18 1 1 A 35 35 HIS CB C 35 28.553 30.981 -2.428 1
1 336 . 18 1 1 A 35 35 HIS C C 35 175.670 175.422 0.248 1
1 337 . 18 1 1 A 36 36 THR N N 36 112.053 113.351 -1.298 1
1 338 . 18 1 1 A 36 36 THR H H 36 7.769 8.105 -0.336 1
1 339 . 18 1 1 A 36 36 THR CA C 36 62.692 60.428 2.264 1
1 340 . 18 1 1 A 36 36 THR HA H 36 4.347 4.606 -0.259 1
1 341 . 18 1 1 A 36 36 THR CB C 36 69.819 70.580 -0.761 1
1 347 . 18 1 1 A 36 36 THR C C 36 175.500 174.630 0.870 1
1 348 . 18 1 1 A 37 37 GLY CA C 37 45.299 44.536 0.763 1
1 349 . 18 1 1 A 37 37 GLY HA2 H 37 3.936 4.065 -0.129 1
1 350 . 18 1 1 A 37 37 GLY C C 37 173.971 172.481 1.490 1
1 351 . 18 1 1 A 38 38 GLU N N 38 120.577 121.806 -1.229 1
1 352 . 18 1 1 A 38 38 GLU H H 38 8.266 8.441 -0.175 1
1 353 . 18 1 1 A 38 38 GLU CA C 38 56.543 54.702 1.841 1
1 354 . 18 1 1 A 38 38 GLU HA H 38 4.272 4.788 -0.516 1
1 355 . 18 1 1 A 38 38 GLU CB C 38 30.449 32.313 -1.864 1
1 361 . 18 1 1 A 38 38 GLU C C 38 176.313 175.957 0.356 1
1 362 . 18 1 1 A 39 39 LYS N N 39 123.814 124.685 -0.871 1
1 363 . 18 1 1 A 39 39 LYS H H 39 8.418 8.856 -0.438 1
1 364 . 18 1 1 A 39 39 LYS CA C 39 54.156 56.828 -2.672 1
1 365 . 18 1 1 A 39 39 LYS HA H 39 4.611 3.896 0.715 1
1 366 . 18 1 1 A 39 39 LYS CB C 39 32.558 30.455 2.103 1
1 377 . 18 1 1 A 39 39 LYS C C 39 174.459 176.671 -2.212 1
1 378 . 18 1 1 A 40 40 PRO CA C 40 63.278 65.211 -1.933 1
1 379 . 18 1 1 A 40 40 PRO HA H 40 4.465 4.311 0.154 1
1 380 . 18 1 1 A 40 40 PRO CB C 40 32.181 31.408 0.773 1
1 389 . 18 1 1 A 42 42 GLY CA C 42 44.677 45.166 -0.489 1
1 390 . 18 1 1 A 42 42 GLY HA2 H 42 4.162 4.054 0.108 1
1 391 . 18 1 1 A 42 42 GLY HA3 H 42 4.112 4.054 0.058 1
1 392 . 18 1 1 A 43 43 PRO CA C 43 63.257 63.628 -0.371 1
1 393 . 18 1 1 A 43 43 PRO HA H 43 4.479 4.543 -0.064 1
1 394 . 18 1 1 A 43 43 PRO CB C 43 32.210 31.942 0.268 1
1 402 . 18 1 1 A 45 45 SER CA C 45 58.380 57.330 1.050 1
1 403 . 18 1 1 A 45 45 SER HA H 45 4.440 4.713 -0.273 1
1 404 . 18 1 1 A 45 45 SER CB C 45 64.123 65.615 -1.492 1
1 406 . 18 1 1 A 45 45 SER C C 45 173.895 174.313 -0.418 1
1 1 . 19 1 1 A 7 7 GLY CA C 7 45.522 47.053 -1.531 1
1 2 . 19 1 1 A 7 7 GLY HA2 H 7 3.949 3.908 0.041 1
1 3 . 19 1 1 A 7 7 GLY C C 7 174.326 174.865 -0.539 1
1 4 . 19 1 1 A 8 8 MET N N 8 119.786 118.972 0.814 1
1 5 . 19 1 1 A 8 8 MET H H 8 8.274 7.983 0.291 1
1 6 . 19 1 1 A 8 8 MET CA C 8 55.569 56.102 -0.533 1
1 7 . 19 1 1 A 8 8 MET HA H 8 4.511 4.324 0.187 1
1 8 . 19 1 1 A 8 8 MET CB C 8 32.859 32.641 0.218 1
1 18 . 19 1 1 A 8 8 MET C C 8 176.789 176.551 0.238 1
1 19 . 19 1 1 A 9 9 GLY N N 9 110.120 110.672 -0.552 1
1 20 . 19 1 1 A 9 9 GLY H H 9 8.454 9.113 -0.659 1
1 21 . 19 1 1 A 9 9 GLY CA C 9 45.277 46.967 -1.690 1
1 22 . 19 1 1 A 9 9 GLY HA2 H 9 3.956 3.850 0.106 1
1 23 . 19 1 1 A 9 9 GLY HA3 H 9 3.956 3.852 0.104 1
1 24 . 19 1 1 A 9 9 GLY C C 9 174.007 175.280 -1.273 1
1 25 . 19 1 1 A 10 10 GLU N N 10 120.558 118.450 2.108 1
1 26 . 19 1 1 A 10 10 GLU H H 10 8.068 8.016 0.052 1
1 27 . 19 1 1 A 10 10 GLU CA C 10 56.544 59.191 -2.647 1
1 28 . 19 1 1 A 10 10 GLU HA H 10 4.252 4.075 0.177 1
1 29 . 19 1 1 A 10 10 GLU CB C 10 30.579 29.212 1.367 1
1 35 . 19 1 1 A 10 10 GLU C C 10 176.309 177.359 -1.050 1
1 36 . 19 1 1 A 11 11 LYS N N 11 122.155 119.241 2.914 1
1 37 . 19 1 1 A 11 11 LYS H H 11 8.398 7.685 0.713 1
1 38 . 19 1 1 A 11 11 LYS CA C 11 55.910 55.411 0.499 1
1 39 . 19 1 1 A 11 11 LYS HA H 11 4.245 4.521 -0.276 1
1 40 . 19 1 1 A 11 11 LYS CB C 11 33.017 31.484 1.533 1
1 52 . 19 1 1 A 11 11 LYS C C 11 175.280 176.029 -0.749 1
1 53 . 19 1 1 A 12 12 CYS N N 12 119.118 124.865 -5.747 1
1 54 . 19 1 1 A 12 12 CYS H H 12 7.956 8.488 -0.532 1
1 55 . 19 1 1 A 12 12 CYS CA C 12 57.559 57.942 -0.383 1
1 56 . 19 1 1 A 12 12 CYS HA H 12 4.542 4.525 0.017 1
1 57 . 19 1 1 A 12 12 CYS CB C 12 28.894 26.029 2.865 1
1 60 . 19 1 1 A 12 12 CYS C C 12 172.990 173.295 -0.305 1
1 61 . 19 1 1 A 13 13 TYR N N 13 124.152 125.248 -1.096 1
1 62 . 19 1 1 A 13 13 TYR H H 13 8.727 8.822 -0.095 1
1 63 . 19 1 1 A 13 13 TYR CA C 13 57.441 59.362 -1.921 1
1 64 . 19 1 1 A 13 13 TYR HA H 13 4.601 4.674 -0.073 1
1 65 . 19 1 1 A 13 13 TYR CB C 13 39.188 38.703 0.485 1
1 76 . 19 1 1 A 13 13 TYR C C 13 174.171 175.387 -1.216 1
1 77 . 19 1 1 A 14 14 LYS N N 14 125.412 125.751 -0.339 1
1 78 . 19 1 1 A 14 14 LYS H H 14 8.727 8.856 -0.129 1
1 79 . 19 1 1 A 14 14 LYS CA C 14 54.992 54.413 0.579 1
1 80 . 19 1 1 A 14 14 LYS HA H 14 5.102 5.436 -0.334 1
1 81 . 19 1 1 A 14 14 LYS CB C 14 36.167 36.230 -0.063 1
1 93 . 19 1 1 A 14 14 LYS C C 14 175.134 174.710 0.424 1
1 94 . 19 1 1 A 15 15 CYS N N 15 127.849 124.380 3.469 1
1 95 . 19 1 1 A 15 15 CYS H H 15 9.310 8.955 0.355 1
1 96 . 19 1 1 A 15 15 CYS CA C 15 59.999 57.697 2.302 1
1 97 . 19 1 1 A 15 15 CYS HA H 15 4.533 4.774 -0.241 1
1 98 . 19 1 1 A 15 15 CYS CB C 15 29.661 27.455 2.206 1
1 101 . 19 1 1 A 15 15 CYS C C 15 176.848 174.642 2.206 1
1 102 . 19 1 1 A 16 16 ASP N N 16 115.181 127.101 -11.920 1
1 103 . 19 1 1 A 16 16 ASP H H 16 9.321 8.182 1.139 1
1 104 . 19 1 1 A 16 16 ASP CA C 16 56.333 57.331 -0.998 1
1 105 . 19 1 1 A 16 16 ASP HA H 16 4.447 4.248 0.199 1
1 106 . 19 1 1 A 16 16 ASP CB C 16 40.579 40.580 -0.001 1
1 109 . 19 1 1 A 16 16 ASP C C 16 175.969 177.842 -1.873 1
1 110 . 19 1 1 A 17 17 VAL N N 17 121.861 118.089 3.772 1
1 111 . 19 1 1 A 17 17 VAL H H 17 8.757 7.757 1.000 1
1 112 . 19 1 1 A 17 17 VAL CA C 17 65.159 66.790 -1.631 1
1 113 . 19 1 1 A 17 17 VAL HA H 17 3.797 3.487 0.310 1
1 114 . 19 1 1 A 17 17 VAL CB C 17 32.936 31.319 1.617 1
1 124 . 19 1 1 A 17 17 VAL C C 17 177.154 177.710 -0.556 1
1 125 . 19 1 1 A 18 18 CYS N N 18 115.378 114.634 0.744 1
1 126 . 19 1 1 A 18 18 CYS H H 18 8.044 7.686 0.358 1
1 127 . 19 1 1 A 18 18 CYS CA C 18 58.172 59.508 -1.336 1
1 128 . 19 1 1 A 18 18 CYS HA H 18 5.163 4.589 0.574 1
1 129 . 19 1 1 A 18 18 CYS CB C 18 32.784 29.799 2.985 1
1 132 . 19 1 1 A 18 18 CYS C C 18 176.540 175.183 1.357 1
1 133 . 19 1 1 A 19 19 GLY N N 19 113.425 109.536 3.889 1
1 134 . 19 1 1 A 19 19 GLY H H 19 8.066 7.878 0.188 1
1 135 . 19 1 1 A 19 19 GLY CA C 19 46.336 45.160 1.176 1
1 136 . 19 1 1 A 19 19 GLY HA2 H 19 4.269 4.052 0.217 1
1 137 . 19 1 1 A 19 19 GLY HA3 H 19 3.806 4.052 -0.246 1
1 138 . 19 1 1 A 19 19 GLY C C 19 173.558 174.270 -0.712 1
1 139 . 19 1 1 A 20 20 LYS N N 20 123.276 121.071 2.205 1
1 140 . 19 1 1 A 20 20 LYS H H 20 8.018 7.815 0.203 1
1 141 . 19 1 1 A 20 20 LYS CA C 20 58.465 55.163 3.302 1
1 142 . 19 1 1 A 20 20 LYS HA H 20 3.935 4.474 -0.539 1
1 143 . 19 1 1 A 20 20 LYS CB C 20 33.640 33.929 -0.289 1
1 155 . 19 1 1 A 20 20 LYS C C 20 174.303 175.299 -0.996 1
1 156 . 19 1 1 A 21 21 GLU N N 21 120.572 124.199 -3.627 1
1 157 . 19 1 1 A 21 21 GLU H H 21 7.893 8.123 -0.230 1
1 158 . 19 1 1 A 21 21 GLU CA C 21 55.071 54.773 0.298 1
1 159 . 19 1 1 A 21 21 GLU HA H 21 4.863 5.219 -0.356 1
1 160 . 19 1 1 A 21 21 GLU CB C 21 32.738 33.093 -0.355 1
1 166 . 19 1 1 A 21 21 GLU C C 21 175.442 174.794 0.648 1
1 167 . 19 1 1 A 22 22 PHE N N 22 118.232 123.379 -5.147 1
1 168 . 19 1 1 A 22 22 PHE H H 22 8.808 9.451 -0.643 1
1 169 . 19 1 1 A 22 22 PHE CA C 22 56.999 56.729 0.270 1
1 170 . 19 1 1 A 22 22 PHE HA H 22 4.879 5.059 -0.180 1
1 171 . 19 1 1 A 22 22 PHE CB C 22 43.906 43.264 0.642 1
1 184 . 19 1 1 A 22 22 PHE C C 22 175.502 175.638 -0.136 1
1 185 . 19 1 1 A 23 23 SER CA C 23 59.319 59.926 -0.607 1
1 186 . 19 1 1 A 23 23 SER HA H 23 4.872 4.599 0.273 1
1 187 . 19 1 1 A 23 23 SER CB C 23 64.471 64.587 -0.116 1
1 190 . 19 1 1 A 23 23 SER C C 23 174.157 174.063 0.094 1
1 191 . 19 1 1 A 24 24 GLN N N 24 115.876 120.101 -4.225 1
1 192 . 19 1 1 A 24 24 GLN H H 24 7.123 7.413 -0.290 1
1 193 . 19 1 1 A 24 24 GLN CA C 24 53.975 54.559 -0.584 1
1 194 . 19 1 1 A 24 24 GLN HA H 24 4.582 4.240 0.342 1
1 195 . 19 1 1 A 24 24 GLN CB C 24 31.867 30.288 1.579 1
1 204 . 19 1 1 A 24 24 GLN C C 24 175.839 176.251 -0.412 1
1 205 . 19 1 1 A 25 25 SER CA C 25 61.060 61.736 -0.676 1
1 206 . 19 1 1 A 25 25 SER HA H 25 3.107 3.368 -0.261 1
1 207 . 19 1 1 A 25 25 SER CB C 25 61.929 62.475 -0.546 1
1 210 . 19 1 1 A 26 26 SER CA C 26 61.019 61.372 -0.353 1
1 211 . 19 1 1 A 26 26 SER HA H 26 4.054 4.190 -0.136 1
1 212 . 19 1 1 A 26 26 SER CB C 26 61.700 62.601 -0.901 1
1 214 . 19 1 1 A 26 26 SER C C 26 176.800 176.814 -0.014 1
1 215 . 19 1 1 A 27 27 HIS N N 27 120.923 118.853 2.070 1
1 216 . 19 1 1 A 27 27 HIS H H 27 6.656 7.951 -1.295 1
1 217 . 19 1 1 A 27 27 HIS CA C 27 56.877 58.554 -1.677 1
1 218 . 19 1 1 A 27 27 HIS HA H 27 4.465 4.270 0.195 1
1 219 . 19 1 1 A 27 27 HIS CB C 27 31.765 29.503 2.262 1
1 226 . 19 1 1 A 27 27 HIS C C 27 178.354 177.161 1.193 1
1 227 . 19 1 1 A 28 28 LEU N N 28 121.000 120.238 0.762 1
1 228 . 19 1 1 A 28 28 LEU H H 28 6.955 7.388 -0.433 1
1 229 . 19 1 1 A 28 28 LEU CA C 28 57.734 57.472 0.262 1
1 230 . 19 1 1 A 28 28 LEU HA H 28 3.249 2.794 0.455 1
1 231 . 19 1 1 A 28 28 LEU CB C 28 40.290 41.986 -1.696 1
1 244 . 19 1 1 A 28 28 LEU C C 28 177.380 178.321 -0.941 1
1 245 . 19 1 1 A 29 29 GLN N N 29 118.542 117.736 0.806 1
1 246 . 19 1 1 A 29 29 GLN H H 29 8.074 8.077 -0.003 1
1 247 . 19 1 1 A 29 29 GLN CA C 29 59.241 58.974 0.267 1
1 248 . 19 1 1 A 29 29 GLN HA H 29 4.078 4.066 0.012 1
1 249 . 19 1 1 A 29 29 GLN CB C 29 28.246 28.333 -0.087 1
1 258 . 19 1 1 A 29 29 GLN C C 29 179.270 178.599 0.671 1
1 259 . 19 1 1 A 30 30 THR N N 30 115.381 117.720 -2.339 1
1 260 . 19 1 1 A 30 30 THR H H 30 8.023 7.980 0.043 1
1 261 . 19 1 1 A 30 30 THR CA C 30 66.331 66.851 -0.520 1
1 262 . 19 1 1 A 30 30 THR HA H 30 3.857 3.924 -0.067 1
1 263 . 19 1 1 A 30 30 THR CB C 30 68.800 68.650 0.150 1
1 269 . 19 1 1 A 30 30 THR C C 30 176.560 176.016 0.544 1
1 270 . 19 1 1 A 31 31 HIS N N 31 121.437 120.116 1.321 1
1 271 . 19 1 1 A 31 31 HIS H H 31 7.611 7.583 0.028 1
1 272 . 19 1 1 A 31 31 HIS CA C 31 59.124 60.100 -0.976 1
1 273 . 19 1 1 A 31 31 HIS HA H 31 4.227 4.083 0.144 1
1 274 . 19 1 1 A 31 31 HIS CB C 31 28.616 29.870 -1.254 1
1 281 . 19 1 1 A 31 31 HIS C C 31 175.895 177.323 -1.428 1
1 282 . 19 1 1 A 32 32 GLN N N 32 115.030 118.292 -3.262 1
1 283 . 19 1 1 A 32 32 GLN H H 32 8.285 8.225 0.060 1
1 284 . 19 1 1 A 32 32 GLN CA C 32 59.440 59.192 0.248 1
1 285 . 19 1 1 A 32 32 GLN HA H 32 3.680 4.030 -0.350 1
1 286 . 19 1 1 A 32 32 GLN CB C 32 28.287 28.265 0.022 1
1 295 . 19 1 1 A 32 32 GLN C C 32 177.393 178.765 -1.372 1
1 296 . 19 1 1 A 33 33 ARG N N 33 117.259 119.923 -2.664 1
1 297 . 19 1 1 A 33 33 ARG H H 33 7.113 8.091 -0.978 1
1 298 . 19 1 1 A 33 33 ARG CA C 33 58.407 58.741 -0.334 1
1 299 . 19 1 1 A 33 33 ARG HA H 33 4.158 4.352 -0.194 1
1 300 . 19 1 1 A 33 33 ARG CB C 33 29.987 29.815 0.172 1
1 309 . 19 1 1 A 33 33 ARG C C 33 178.523 178.667 -0.144 1
1 310 . 19 1 1 A 34 34 VAL N N 34 116.132 116.644 -0.512 1
1 311 . 19 1 1 A 34 34 VAL H H 34 7.926 7.400 0.526 1
1 312 . 19 1 1 A 34 34 VAL CA C 34 64.005 64.755 -0.750 1
1 313 . 19 1 1 A 34 34 VAL HA H 34 3.917 3.826 0.091 1
1 314 . 19 1 1 A 34 34 VAL CB C 34 31.133 31.069 0.064 1
1 324 . 19 1 1 A 34 34 VAL C C 34 177.246 176.280 0.966 1
1 325 . 19 1 1 A 35 35 HIS N N 35 116.613 120.057 -3.444 1
1 326 . 19 1 1 A 35 35 HIS H H 35 7.200 8.099 -0.899 1
1 327 . 19 1 1 A 35 35 HIS CA C 35 54.962 56.918 -1.956 1
1 328 . 19 1 1 A 35 35 HIS HA H 35 4.945 4.636 0.309 1
1 329 . 19 1 1 A 35 35 HIS CB C 35 28.553 31.585 -3.032 1
1 336 . 19 1 1 A 35 35 HIS C C 35 175.670 176.188 -0.518 1
1 337 . 19 1 1 A 36 36 THR N N 36 112.053 107.203 4.850 1
1 338 . 19 1 1 A 36 36 THR H H 36 7.769 7.947 -0.178 1
1 339 . 19 1 1 A 36 36 THR CA C 36 62.692 62.842 -0.150 1
1 340 . 19 1 1 A 36 36 THR HA H 36 4.347 4.340 0.007 1
1 341 . 19 1 1 A 36 36 THR CB C 36 69.819 69.745 0.074 1
1 347 . 19 1 1 A 36 36 THR C C 36 175.500 175.297 0.203 1
1 348 . 19 1 1 A 37 37 GLY CA C 37 45.299 46.762 -1.463 1
1 349 . 19 1 1 A 37 37 GLY HA2 H 37 3.936 3.647 0.289 1
1 350 . 19 1 1 A 37 37 GLY C C 37 173.971 175.308 -1.337 1
1 351 . 19 1 1 A 38 38 GLU N N 38 120.577 126.425 -5.848 1
1 352 . 19 1 1 A 38 38 GLU H H 38 8.266 8.638 -0.372 1
1 353 . 19 1 1 A 38 38 GLU CA C 38 56.543 57.241 -0.698 1
1 354 . 19 1 1 A 38 38 GLU HA H 38 4.272 4.030 0.242 1
1 355 . 19 1 1 A 38 38 GLU CB C 38 30.449 27.440 3.009 1
1 361 . 19 1 1 A 38 38 GLU C C 38 176.313 176.091 0.222 1
1 362 . 19 1 1 A 39 39 LYS N N 39 123.814 121.472 2.342 1
1 363 . 19 1 1 A 39 39 LYS H H 39 8.418 8.042 0.376 1
1 364 . 19 1 1 A 39 39 LYS CA C 39 54.156 53.768 0.388 1
1 365 . 19 1 1 A 39 39 LYS HA H 39 4.611 4.838 -0.227 1
1 366 . 19 1 1 A 39 39 LYS CB C 39 32.558 33.062 -0.504 1
1 377 . 19 1 1 A 39 39 LYS C C 39 174.459 174.324 0.135 1
1 378 . 19 1 1 A 40 40 PRO CA C 40 63.278 62.375 0.903 1
1 379 . 19 1 1 A 40 40 PRO HA H 40 4.465 4.676 -0.211 1
1 380 . 19 1 1 A 40 40 PRO CB C 40 32.181 33.215 -1.034 1
1 389 . 19 1 1 A 42 42 GLY CA C 42 44.677 44.257 0.420 1
1 390 . 19 1 1 A 42 42 GLY HA2 H 42 4.162 4.188 -0.026 1
1 391 . 19 1 1 A 42 42 GLY HA3 H 42 4.112 4.188 -0.076 1
1 392 . 19 1 1 A 43 43 PRO CA C 43 63.257 62.755 0.502 1
1 393 . 19 1 1 A 43 43 PRO HA H 43 4.479 4.675 -0.196 1
1 394 . 19 1 1 A 43 43 PRO CB C 43 32.210 31.489 0.721 1
1 402 . 19 1 1 A 45 45 SER CA C 45 58.380 57.142 1.238 1
1 403 . 19 1 1 A 45 45 SER HA H 45 4.440 4.752 -0.312 1
1 404 . 19 1 1 A 45 45 SER CB C 45 64.123 65.786 -1.663 1
1 406 . 19 1 1 A 45 45 SER C C 45 173.895 174.478 -0.583 1
1 1 . 20 1 1 A 7 7 GLY CA C 7 45.522 46.877 -1.355 1
1 2 . 20 1 1 A 7 7 GLY HA2 H 7 3.949 3.945 0.004 1
1 3 . 20 1 1 A 7 7 GLY C C 7 174.326 174.641 -0.315 1
1 4 . 20 1 1 A 8 8 MET N N 8 119.786 119.366 0.420 1
1 5 . 20 1 1 A 8 8 MET H H 8 8.274 8.225 0.049 1
1 6 . 20 1 1 A 8 8 MET CA C 8 55.569 54.355 1.214 1
1 7 . 20 1 1 A 8 8 MET HA H 8 4.511 4.548 -0.037 1
1 8 . 20 1 1 A 8 8 MET CB C 8 32.859 30.941 1.918 1
1 18 . 20 1 1 A 8 8 MET C C 8 176.789 175.534 1.255 1
1 19 . 20 1 1 A 9 9 GLY N N 9 110.120 112.068 -1.948 1
1 20 . 20 1 1 A 9 9 GLY H H 9 8.454 8.213 0.241 1
1 21 . 20 1 1 A 9 9 GLY CA C 9 45.277 44.115 1.162 1
1 22 . 20 1 1 A 9 9 GLY HA2 H 9 3.956 4.190 -0.234 1
1 23 . 20 1 1 A 9 9 GLY HA3 H 9 3.956 4.195 -0.239 1
1 24 . 20 1 1 A 9 9 GLY C C 9 174.007 174.653 -0.646 1
1 25 . 20 1 1 A 10 10 GLU N N 10 120.558 118.350 2.208 1
1 26 . 20 1 1 A 10 10 GLU H H 10 8.068 8.796 -0.728 1
1 27 . 20 1 1 A 10 10 GLU CA C 10 56.544 58.429 -1.885 1
1 28 . 20 1 1 A 10 10 GLU HA H 10 4.252 4.160 0.092 1
1 29 . 20 1 1 A 10 10 GLU CB C 10 30.579 29.516 1.063 1
1 35 . 20 1 1 A 10 10 GLU C C 10 176.309 175.856 0.453 1
1 36 . 20 1 1 A 11 11 LYS N N 11 122.155 119.585 2.570 1
1 37 . 20 1 1 A 11 11 LYS H H 11 8.398 7.526 0.872 1
1 38 . 20 1 1 A 11 11 LYS CA C 11 55.910 54.948 0.962 1
1 39 . 20 1 1 A 11 11 LYS HA H 11 4.245 4.846 -0.601 1
1 40 . 20 1 1 A 11 11 LYS CB C 11 33.017 35.234 -2.217 1
1 52 . 20 1 1 A 11 11 LYS C C 11 175.280 174.497 0.783 1
1 53 . 20 1 1 A 12 12 CYS N N 12 119.118 126.087 -6.969 1
1 54 . 20 1 1 A 12 12 CYS H H 12 7.956 8.754 -0.798 1
1 55 . 20 1 1 A 12 12 CYS CA C 12 57.559 57.274 0.285 1
1 56 . 20 1 1 A 12 12 CYS HA H 12 4.542 4.894 -0.352 1
1 57 . 20 1 1 A 12 12 CYS CB C 12 28.894 28.479 0.415 1
1 60 . 20 1 1 A 12 12 CYS C C 12 172.990 172.956 0.034 1
1 61 . 20 1 1 A 13 13 TYR N N 13 124.152 127.080 -2.928 1
1 62 . 20 1 1 A 13 13 TYR H H 13 8.727 8.829 -0.102 1
1 63 . 20 1 1 A 13 13 TYR CA C 13 57.441 58.466 -1.025 1
1 64 . 20 1 1 A 13 13 TYR HA H 13 4.601 4.766 -0.165 1
1 65 . 20 1 1 A 13 13 TYR CB C 13 39.188 38.169 1.019 1
1 76 . 20 1 1 A 13 13 TYR C C 13 174.171 175.089 -0.918 1
1 77 . 20 1 1 A 14 14 LYS N N 14 125.412 126.123 -0.711 1
1 78 . 20 1 1 A 14 14 LYS H H 14 8.727 8.914 -0.187 1
1 79 . 20 1 1 A 14 14 LYS CA C 14 54.992 54.404 0.588 1
1 80 . 20 1 1 A 14 14 LYS HA H 14 5.102 5.180 -0.078 1
1 81 . 20 1 1 A 14 14 LYS CB C 14 36.167 35.795 0.372 1
1 93 . 20 1 1 A 14 14 LYS C C 14 175.134 175.864 -0.730 1
1 94 . 20 1 1 A 15 15 CYS N N 15 127.849 125.381 2.468 1
1 95 . 20 1 1 A 15 15 CYS H H 15 9.310 9.184 0.126 1
1 96 . 20 1 1 A 15 15 CYS CA C 15 59.999 59.747 0.252 1
1 97 . 20 1 1 A 15 15 CYS HA H 15 4.533 4.663 -0.130 1
1 98 . 20 1 1 A 15 15 CYS CB C 15 29.661 28.194 1.467 1
1 101 . 20 1 1 A 15 15 CYS C C 15 176.848 175.384 1.464 1
1 102 . 20 1 1 A 16 16 ASP N N 16 115.181 127.675 -12.494 1
1 103 . 20 1 1 A 16 16 ASP H H 16 9.321 9.045 0.276 1
1 104 . 20 1 1 A 16 16 ASP CA C 16 56.333 54.156 2.177 1
1 105 . 20 1 1 A 16 16 ASP HA H 16 4.447 4.928 -0.481 1
1 106 . 20 1 1 A 16 16 ASP CB C 16 40.579 41.324 -0.745 1
1 109 . 20 1 1 A 16 16 ASP C C 16 175.969 176.414 -0.445 1
1 110 . 20 1 1 A 17 17 VAL N N 17 121.861 118.396 3.465 1
1 111 . 20 1 1 A 17 17 VAL H H 17 8.757 7.894 0.863 1
1 112 . 20 1 1 A 17 17 VAL CA C 17 65.159 63.938 1.221 1
1 113 . 20 1 1 A 17 17 VAL HA H 17 3.797 4.095 -0.298 1
1 114 . 20 1 1 A 17 17 VAL CB C 17 32.936 33.300 -0.364 1
1 124 . 20 1 1 A 17 17 VAL C C 17 177.154 177.282 -0.128 1
1 125 . 20 1 1 A 18 18 CYS N N 18 115.378 114.974 0.404 1
1 126 . 20 1 1 A 18 18 CYS H H 18 8.044 8.053 -0.009 1
1 127 . 20 1 1 A 18 18 CYS CA C 18 58.172 59.426 -1.254 1
1 128 . 20 1 1 A 18 18 CYS HA H 18 5.163 4.600 0.563 1
1 129 . 20 1 1 A 18 18 CYS CB C 18 32.784 29.886 2.898 1
1 132 . 20 1 1 A 18 18 CYS C C 18 176.540 175.265 1.275 1
1 133 . 20 1 1 A 19 19 GLY N N 19 113.425 109.589 3.836 1
1 134 . 20 1 1 A 19 19 GLY H H 19 8.066 7.990 0.076 1
1 135 . 20 1 1 A 19 19 GLY CA C 19 46.336 45.198 1.138 1
1 136 . 20 1 1 A 19 19 GLY HA2 H 19 4.269 4.074 0.195 1
1 137 . 20 1 1 A 19 19 GLY HA3 H 19 3.806 4.084 -0.278 1
1 138 . 20 1 1 A 19 19 GLY C C 19 173.558 174.316 -0.758 1
1 139 . 20 1 1 A 20 20 LYS N N 20 123.276 121.487 1.789 1
1 140 . 20 1 1 A 20 20 LYS H H 20 8.018 7.926 0.092 1
1 141 . 20 1 1 A 20 20 LYS CA C 20 58.465 55.255 3.210 1
1 142 . 20 1 1 A 20 20 LYS HA H 20 3.935 4.651 -0.716 1
1 143 . 20 1 1 A 20 20 LYS CB C 20 33.640 34.322 -0.682 1
1 155 . 20 1 1 A 20 20 LYS C C 20 174.303 175.434 -1.131 1
1 156 . 20 1 1 A 21 21 GLU N N 21 120.572 122.219 -1.647 1
1 157 . 20 1 1 A 21 21 GLU H H 21 7.893 8.114 -0.221 1
1 158 . 20 1 1 A 21 21 GLU CA C 21 55.071 54.819 0.252 1
1 159 . 20 1 1 A 21 21 GLU HA H 21 4.863 5.107 -0.244 1
1 160 . 20 1 1 A 21 21 GLU CB C 21 32.738 33.849 -1.111 1
1 166 . 20 1 1 A 21 21 GLU C C 21 175.442 174.680 0.762 1
1 167 . 20 1 1 A 22 22 PHE N N 22 118.232 121.835 -3.603 1
1 168 . 20 1 1 A 22 22 PHE H H 22 8.808 9.387 -0.579 1
1 169 . 20 1 1 A 22 22 PHE CA C 22 56.999 56.604 0.395 1
1 170 . 20 1 1 A 22 22 PHE HA H 22 4.879 5.161 -0.282 1
1 171 . 20 1 1 A 22 22 PHE CB C 22 43.906 43.973 -0.067 1
1 184 . 20 1 1 A 22 22 PHE C C 22 175.502 175.460 0.042 1
1 185 . 20 1 1 A 23 23 SER CA C 23 59.319 58.767 0.552 1
1 186 . 20 1 1 A 23 23 SER HA H 23 4.872 4.625 0.247 1
1 187 . 20 1 1 A 23 23 SER CB C 23 64.471 64.163 0.308 1
1 190 . 20 1 1 A 23 23 SER C C 23 174.157 174.170 -0.013 1
1 191 . 20 1 1 A 24 24 GLN N N 24 115.876 121.545 -5.669 1
1 192 . 20 1 1 A 24 24 GLN H H 24 7.123 7.676 -0.553 1
1 193 . 20 1 1 A 24 24 GLN CA C 24 53.975 55.310 -1.335 1
1 194 . 20 1 1 A 24 24 GLN HA H 24 4.582 4.378 0.204 1
1 195 . 20 1 1 A 24 24 GLN CB C 24 31.867 30.242 1.625 1
1 204 . 20 1 1 A 24 24 GLN C C 24 175.839 176.349 -0.510 1
1 205 . 20 1 1 A 25 25 SER CA C 25 61.060 61.454 -0.394 1
1 206 . 20 1 1 A 25 25 SER HA H 25 3.107 2.224 0.883 1
1 207 . 20 1 1 A 25 25 SER CB C 25 61.929 62.107 -0.178 1
1 210 . 20 1 1 A 26 26 SER CA C 26 61.019 62.305 -1.286 1
1 211 . 20 1 1 A 26 26 SER HA H 26 4.054 3.996 0.058 1
1 212 . 20 1 1 A 26 26 SER CB C 26 61.700 63.239 -1.539 1
1 214 . 20 1 1 A 26 26 SER C C 26 176.800 176.348 0.452 1
1 215 . 20 1 1 A 27 27 HIS N N 27 120.923 119.409 1.514 1
1 216 . 20 1 1 A 27 27 HIS H H 27 6.656 7.969 -1.313 1
1 217 . 20 1 1 A 27 27 HIS CA C 27 56.877 58.718 -1.841 1
1 218 . 20 1 1 A 27 27 HIS HA H 27 4.465 4.256 0.209 1
1 219 . 20 1 1 A 27 27 HIS CB C 27 31.765 29.755 2.010 1
1 226 . 20 1 1 A 27 27 HIS C C 27 178.354 177.262 1.092 1
1 227 . 20 1 1 A 28 28 LEU N N 28 121.000 120.539 0.461 1
1 228 . 20 1 1 A 28 28 LEU H H 28 6.955 7.529 -0.574 1
1 229 . 20 1 1 A 28 28 LEU CA C 28 57.734 57.563 0.171 1
1 230 . 20 1 1 A 28 28 LEU HA H 28 3.249 2.759 0.490 1
1 231 . 20 1 1 A 28 28 LEU CB C 28 40.290 41.624 -1.334 1
1 244 . 20 1 1 A 28 28 LEU C C 28 177.380 178.465 -1.085 1
1 245 . 20 1 1 A 29 29 GLN N N 29 118.542 117.842 0.700 1
1 246 . 20 1 1 A 29 29 GLN H H 29 8.074 7.745 0.329 1
1 247 . 20 1 1 A 29 29 GLN CA C 29 59.241 58.909 0.332 1
1 248 . 20 1 1 A 29 29 GLN HA H 29 4.078 4.106 -0.028 1
1 249 . 20 1 1 A 29 29 GLN CB C 29 28.246 28.085 0.161 1
1 258 . 20 1 1 A 29 29 GLN C C 29 179.270 178.365 0.905 1
1 259 . 20 1 1 A 30 30 THR N N 30 115.381 117.647 -2.266 1
1 260 . 20 1 1 A 30 30 THR H H 30 8.023 8.077 -0.054 1
1 261 . 20 1 1 A 30 30 THR CA C 30 66.331 66.447 -0.116 1
1 262 . 20 1 1 A 30 30 THR HA H 30 3.857 3.855 0.002 1
1 263 . 20 1 1 A 30 30 THR CB C 30 68.800 68.430 0.370 1
1 269 . 20 1 1 A 30 30 THR C C 30 176.560 176.513 0.047 1
1 270 . 20 1 1 A 31 31 HIS N N 31 121.437 120.842 0.595 1
1 271 . 20 1 1 A 31 31 HIS H H 31 7.611 7.473 0.138 1
1 272 . 20 1 1 A 31 31 HIS CA C 31 59.124 60.466 -1.342 1
1 273 . 20 1 1 A 31 31 HIS HA H 31 4.227 4.176 0.051 1
1 274 . 20 1 1 A 31 31 HIS CB C 31 28.616 29.605 -0.989 1
1 281 . 20 1 1 A 31 31 HIS C C 31 175.895 177.358 -1.463 1
1 282 . 20 1 1 A 32 32 GLN N N 32 115.030 117.447 -2.417 1
1 283 . 20 1 1 A 32 32 GLN H H 32 8.285 8.236 0.049 1
1 284 . 20 1 1 A 32 32 GLN CA C 32 59.440 58.908 0.532 1
1 285 . 20 1 1 A 32 32 GLN HA H 32 3.680 3.748 -0.068 1
1 286 . 20 1 1 A 32 32 GLN CB C 32 28.287 28.252 0.035 1
1 295 . 20 1 1 A 32 32 GLN C C 32 177.393 178.318 -0.925 1
1 296 . 20 1 1 A 33 33 ARG N N 33 117.259 120.258 -2.999 1
1 297 . 20 1 1 A 33 33 ARG H H 33 7.113 8.077 -0.964 1
1 298 . 20 1 1 A 33 33 ARG CA C 33 58.407 58.922 -0.515 1
1 299 . 20 1 1 A 33 33 ARG HA H 33 4.158 4.268 -0.110 1
1 300 . 20 1 1 A 33 33 ARG CB C 33 29.987 29.877 0.110 1
1 309 . 20 1 1 A 33 33 ARG C C 33 178.523 178.850 -0.327 1
1 310 . 20 1 1 A 34 34 VAL N N 34 116.132 116.405 -0.273 1
1 311 . 20 1 1 A 34 34 VAL H H 34 7.926 7.705 0.221 1
1 312 . 20 1 1 A 34 34 VAL CA C 34 64.005 64.309 -0.304 1
1 313 . 20 1 1 A 34 34 VAL HA H 34 3.917 3.785 0.132 1
1 314 . 20 1 1 A 34 34 VAL CB C 34 31.133 31.086 0.047 1
1 324 . 20 1 1 A 34 34 VAL C C 34 177.246 176.451 0.795 1
1 325 . 20 1 1 A 35 35 HIS N N 35 116.613 118.314 -1.701 1
1 326 . 20 1 1 A 35 35 HIS H H 35 7.200 7.855 -0.655 1
1 327 . 20 1 1 A 35 35 HIS CA C 35 54.962 56.666 -1.704 1
1 328 . 20 1 1 A 35 35 HIS HA H 35 4.945 4.669 0.276 1
1 329 . 20 1 1 A 35 35 HIS CB C 35 28.553 31.724 -3.171 1
1 336 . 20 1 1 A 35 35 HIS C C 35 175.670 175.107 0.563 1
1 337 . 20 1 1 A 36 36 THR N N 36 112.053 112.274 -0.221 1
1 338 . 20 1 1 A 36 36 THR H H 36 7.769 7.544 0.225 1
1 339 . 20 1 1 A 36 36 THR CA C 36 62.692 63.433 -0.741 1
1 340 . 20 1 1 A 36 36 THR HA H 36 4.347 4.068 0.279 1
1 341 . 20 1 1 A 36 36 THR CB C 36 69.819 68.342 1.477 1
1 347 . 20 1 1 A 36 36 THR C C 36 175.500 175.148 0.352 1
1 348 . 20 1 1 A 37 37 GLY CA C 37 45.299 45.190 0.109 1
1 349 . 20 1 1 A 37 37 GLY HA2 H 37 3.936 3.979 -0.043 1
1 350 . 20 1 1 A 37 37 GLY C C 37 173.971 174.244 -0.273 1
1 351 . 20 1 1 A 38 38 GLU N N 38 120.577 121.838 -1.261 1
1 352 . 20 1 1 A 38 38 GLU H H 38 8.266 7.740 0.526 1
1 353 . 20 1 1 A 38 38 GLU CA C 38 56.543 55.838 0.705 1
1 354 . 20 1 1 A 38 38 GLU HA H 38 4.272 4.287 -0.015 1
1 355 . 20 1 1 A 38 38 GLU CB C 38 30.449 29.112 1.337 1
1 361 . 20 1 1 A 38 38 GLU C C 38 176.313 176.551 -0.238 1
1 362 . 20 1 1 A 39 39 LYS N N 39 123.814 127.448 -3.634 1
1 363 . 20 1 1 A 39 39 LYS H H 39 8.418 8.431 -0.013 1
1 364 . 20 1 1 A 39 39 LYS CA C 39 54.156 61.225 -7.069 1
1 365 . 20 1 1 A 39 39 LYS HA H 39 4.611 4.093 0.518 1
1 366 . 20 1 1 A 39 39 LYS CB C 39 32.558 30.961 1.597 1
1 377 . 20 1 1 A 39 39 LYS C C 39 174.459 176.242 -1.783 1
1 378 . 20 1 1 A 40 40 PRO CA C 40 63.278 62.819 0.459 1
1 379 . 20 1 1 A 40 40 PRO HA H 40 4.465 4.532 -0.067 1
1 380 . 20 1 1 A 40 40 PRO CB C 40 32.181 31.669 0.512 1
1 389 . 20 1 1 A 42 42 GLY CA C 42 44.677 48.261 -3.584 1
1 390 . 20 1 1 A 42 42 GLY HA2 H 42 4.162 3.876 0.286 1
1 391 . 20 1 1 A 42 42 GLY HA3 H 42 4.112 3.877 0.235 1
1 392 . 20 1 1 A 43 43 PRO CA C 43 63.257 63.688 -0.431 1
1 393 . 20 1 1 A 43 43 PRO HA H 43 4.479 4.381 0.098 1
1 394 . 20 1 1 A 43 43 PRO CB C 43 32.210 31.945 0.265 1
1 402 . 20 1 1 A 45 45 SER CA C 45 58.380 60.280 -1.900 1
1 403 . 20 1 1 A 45 45 SER HA H 45 4.440 4.293 0.147 1
1 404 . 20 1 1 A 45 45 SER CB C 45 64.123 63.779 0.344 1
1 406 . 20 1 1 A 45 45 SER C C 45 173.895 174.401 -0.506 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 33 0.844 1
2 1 1 1 "RMS(OBS, PRED)" CA 37 1.436 1
3 1 1 1 "RMS(OBS, PRED)" CB 32 1.406 1
4 1 1 1 "RMS(OBS, PRED)" H 28 0.509 1
5 1 1 1 "RMS(OBS, PRED)" HA 40 0.343 1
6 1 1 1 "RMS(OBS, PRED)" N 28 3.879 1
7 1 2 1 "RMS(OBS, PRED)" C 33 0.856 1
8 1 2 1 "RMS(OBS, PRED)" CA 37 1.412 1
9 1 2 1 "RMS(OBS, PRED)" CB 32 1.227 1
10 1 2 1 "RMS(OBS, PRED)" H 28 0.455 1
11 1 2 1 "RMS(OBS, PRED)" HA 40 0.333 1
12 1 2 1 "RMS(OBS, PRED)" N 28 3.769 1
13 1 3 1 "RMS(OBS, PRED)" C 33 1.038 1
14 1 3 1 "RMS(OBS, PRED)" CA 37 1.350 1
15 1 3 1 "RMS(OBS, PRED)" CB 32 1.266 1
16 1 3 1 "RMS(OBS, PRED)" H 28 0.575 1
17 1 3 1 "RMS(OBS, PRED)" HA 40 0.315 1
18 1 3 1 "RMS(OBS, PRED)" N 28 3.464 1
19 1 4 1 "RMS(OBS, PRED)" C 33 0.971 1
20 1 4 1 "RMS(OBS, PRED)" CA 37 1.169 1
21 1 4 1 "RMS(OBS, PRED)" CB 32 1.471 1
22 1 4 1 "RMS(OBS, PRED)" H 28 0.523 1
23 1 4 1 "RMS(OBS, PRED)" HA 40 0.322 1
24 1 4 1 "RMS(OBS, PRED)" N 28 3.517 1
25 1 5 1 "RMS(OBS, PRED)" C 33 0.939 1
26 1 5 1 "RMS(OBS, PRED)" CA 37 1.300 1
27 1 5 1 "RMS(OBS, PRED)" CB 32 1.321 1
28 1 5 1 "RMS(OBS, PRED)" H 28 0.524 1
29 1 5 1 "RMS(OBS, PRED)" HA 40 0.318 1
30 1 5 1 "RMS(OBS, PRED)" N 28 3.998 1
31 1 6 1 "RMS(OBS, PRED)" C 33 0.969 1
32 1 6 1 "RMS(OBS, PRED)" CA 37 1.226 1
33 1 6 1 "RMS(OBS, PRED)" CB 32 1.474 1
34 1 6 1 "RMS(OBS, PRED)" H 28 0.648 1
35 1 6 1 "RMS(OBS, PRED)" HA 40 0.349 1
36 1 6 1 "RMS(OBS, PRED)" N 28 3.813 1
37 1 7 1 "RMS(OBS, PRED)" C 33 0.948 1
38 1 7 1 "RMS(OBS, PRED)" CA 37 1.193 1
39 1 7 1 "RMS(OBS, PRED)" CB 32 1.645 1
40 1 7 1 "RMS(OBS, PRED)" H 28 0.526 1
41 1 7 1 "RMS(OBS, PRED)" HA 40 0.335 1
42 1 7 1 "RMS(OBS, PRED)" N 28 3.242 1
43 1 8 1 "RMS(OBS, PRED)" C 33 0.923 1
44 1 8 1 "RMS(OBS, PRED)" CA 37 1.511 1
45 1 8 1 "RMS(OBS, PRED)" CB 32 1.262 1
46 1 8 1 "RMS(OBS, PRED)" H 28 0.570 1
47 1 8 1 "RMS(OBS, PRED)" HA 40 0.325 1
48 1 8 1 "RMS(OBS, PRED)" N 28 3.506 1
49 1 9 1 "RMS(OBS, PRED)" C 33 0.884 1
50 1 9 1 "RMS(OBS, PRED)" CA 37 1.323 1
51 1 9 1 "RMS(OBS, PRED)" CB 32 1.290 1
52 1 9 1 "RMS(OBS, PRED)" H 28 0.552 1
53 1 9 1 "RMS(OBS, PRED)" HA 40 0.328 1
54 1 9 1 "RMS(OBS, PRED)" N 28 3.156 1
55 1 10 1 "RMS(OBS, PRED)" C 33 0.786 1
56 1 10 1 "RMS(OBS, PRED)" CA 37 1.386 1
57 1 10 1 "RMS(OBS, PRED)" CB 32 1.368 1
58 1 10 1 "RMS(OBS, PRED)" H 28 0.609 1
59 1 10 1 "RMS(OBS, PRED)" HA 40 0.263 1
60 1 10 1 "RMS(OBS, PRED)" N 28 3.351 1
61 1 11 1 "RMS(OBS, PRED)" C 33 1.102 1
62 1 11 1 "RMS(OBS, PRED)" CA 37 1.329 1
63 1 11 1 "RMS(OBS, PRED)" CB 32 1.385 1
64 1 11 1 "RMS(OBS, PRED)" H 28 0.527 1
65 1 11 1 "RMS(OBS, PRED)" HA 40 0.303 1
66 1 11 1 "RMS(OBS, PRED)" N 28 3.675 1
67 1 12 1 "RMS(OBS, PRED)" C 33 1.015 1
68 1 12 1 "RMS(OBS, PRED)" CA 37 1.608 1
69 1 12 1 "RMS(OBS, PRED)" CB 32 1.473 1
70 1 12 1 "RMS(OBS, PRED)" H 28 0.478 1
71 1 12 1 "RMS(OBS, PRED)" HA 40 0.261 1
72 1 12 1 "RMS(OBS, PRED)" N 28 4.275 1
73 1 13 1 "RMS(OBS, PRED)" C 33 0.934 1
74 1 13 1 "RMS(OBS, PRED)" CA 37 1.325 1
75 1 13 1 "RMS(OBS, PRED)" CB 32 1.180 1
76 1 13 1 "RMS(OBS, PRED)" H 28 0.557 1
77 1 13 1 "RMS(OBS, PRED)" HA 40 0.380 1
78 1 13 1 "RMS(OBS, PRED)" N 28 3.670 1
79 1 14 1 "RMS(OBS, PRED)" C 33 0.971 1
80 1 14 1 "RMS(OBS, PRED)" CA 37 1.638 1
81 1 14 1 "RMS(OBS, PRED)" CB 32 1.277 1
82 1 14 1 "RMS(OBS, PRED)" H 28 0.493 1
83 1 14 1 "RMS(OBS, PRED)" HA 40 0.315 1
84 1 14 1 "RMS(OBS, PRED)" N 28 3.451 1
85 1 15 1 "RMS(OBS, PRED)" C 33 1.032 1
86 1 15 1 "RMS(OBS, PRED)" CA 37 1.249 1
87 1 15 1 "RMS(OBS, PRED)" CB 32 1.157 1
88 1 15 1 "RMS(OBS, PRED)" H 28 0.515 1
89 1 15 1 "RMS(OBS, PRED)" HA 40 0.326 1
90 1 15 1 "RMS(OBS, PRED)" N 28 3.491 1
91 1 16 1 "RMS(OBS, PRED)" C 33 1.077 1
92 1 16 1 "RMS(OBS, PRED)" CA 37 1.772 1
93 1 16 1 "RMS(OBS, PRED)" CB 32 1.311 1
94 1 16 1 "RMS(OBS, PRED)" H 28 0.507 1
95 1 16 1 "RMS(OBS, PRED)" HA 40 0.301 1
96 1 16 1 "RMS(OBS, PRED)" N 28 4.100 1
97 1 17 1 "RMS(OBS, PRED)" C 33 0.877 1
98 1 17 1 "RMS(OBS, PRED)" CA 37 1.272 1
99 1 17 1 "RMS(OBS, PRED)" CB 32 1.255 1
100 1 17 1 "RMS(OBS, PRED)" H 28 0.486 1
101 1 17 1 "RMS(OBS, PRED)" HA 40 0.276 1
102 1 17 1 "RMS(OBS, PRED)" N 28 3.651 1
103 1 18 1 "RMS(OBS, PRED)" C 33 0.968 1
104 1 18 1 "RMS(OBS, PRED)" CA 37 1.435 1
105 1 18 1 "RMS(OBS, PRED)" CB 32 1.163 1
106 1 18 1 "RMS(OBS, PRED)" H 28 0.493 1
107 1 18 1 "RMS(OBS, PRED)" HA 40 0.291 1
108 1 18 1 "RMS(OBS, PRED)" N 28 3.496 1
109 1 19 1 "RMS(OBS, PRED)" C 33 0.943 1
110 1 19 1 "RMS(OBS, PRED)" CA 37 1.244 1
111 1 19 1 "RMS(OBS, PRED)" CB 32 1.457 1
112 1 19 1 "RMS(OBS, PRED)" H 28 0.569 1
113 1 19 1 "RMS(OBS, PRED)" HA 40 0.256 1
114 1 19 1 "RMS(OBS, PRED)" N 28 3.851 1
115 1 20 1 "RMS(OBS, PRED)" C 33 0.831 1
116 1 20 1 "RMS(OBS, PRED)" CA 37 1.756 1
117 1 20 1 "RMS(OBS, PRED)" CB 32 1.309 1
118 1 20 1 "RMS(OBS, PRED)" H 28 0.527 1
119 1 20 1 "RMS(OBS, PRED)" HA 40 0.315 1
120 1 20 1 "RMS(OBS, PRED)" N 28 3.623 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 1 . 1 1 A 7 7 GLY CA C 7 45.522 45.593 -0.072 2
1 2 . 1 1 A 7 7 GLY HA2 H 7 3.949 4.059 -0.110 2
1 3 . 1 1 A 7 7 GLY C C 7 174.326 173.946 0.380 2
1 4 . 1 1 A 8 8 MET N N 8 119.786 119.346 0.440 2
1 5 . 1 1 A 8 8 MET H H 8 8.274 8.428 -0.154 2
1 6 . 1 1 A 8 8 MET CA C 8 55.569 55.779 -0.210 2
1 7 . 1 1 A 8 8 MET HA H 8 4.511 4.524 -0.013 2
1 8 . 1 1 A 8 8 MET CB C 8 32.859 33.135 -0.276 2
1 18 . 1 1 A 8 8 MET C C 8 176.789 175.755 1.034 2
1 19 . 1 1 A 9 9 GLY N N 9 110.120 108.467 1.653 2
1 20 . 1 1 A 9 9 GLY H H 9 8.454 8.312 0.142 2
1 21 . 1 1 A 9 9 GLY CA C 9 45.277 45.551 -0.274 2
1 22 . 1 1 A 9 9 GLY HA2 H 9 3.956 4.079 -0.123 2
1 23 . 1 1 A 9 9 GLY HA3 H 9 3.956 4.082 -0.126 2
1 24 . 1 1 A 9 9 GLY C C 9 174.007 173.882 0.125 2
1 25 . 1 1 A 10 10 GLU N N 10 120.558 121.046 -0.488 2
1 26 . 1 1 A 10 10 GLU H H 10 8.068 8.486 -0.418 2
1 27 . 1 1 A 10 10 GLU CA C 10 56.544 56.936 -0.392 2
1 28 . 1 1 A 10 10 GLU HA H 10 4.252 4.351 -0.099 2
1 29 . 1 1 A 10 10 GLU CB C 10 30.579 30.478 0.101 2
1 35 . 1 1 A 10 10 GLU C C 10 176.309 176.111 0.198 2
1 36 . 1 1 A 11 11 LYS N N 11 122.155 120.780 1.375 2
1 37 . 1 1 A 11 11 LYS H H 11 8.398 8.329 0.069 2
1 38 . 1 1 A 11 11 LYS CA C 11 55.910 55.862 0.048 2
1 39 . 1 1 A 11 11 LYS HA H 11 4.245 4.539 -0.294 2
1 40 . 1 1 A 11 11 LYS CB C 11 33.017 33.328 -0.311 2
1 52 . 1 1 A 11 11 LYS C C 11 175.280 175.749 -0.469 2
1 53 . 1 1 A 12 12 CYS N N 12 119.118 122.518 -3.400 2
1 54 . 1 1 A 12 12 CYS H H 12 7.956 8.565 -0.609 2
1 55 . 1 1 A 12 12 CYS CA C 12 57.559 58.090 -0.531 2
1 56 . 1 1 A 12 12 CYS HA H 12 4.542 4.803 -0.261 2
1 57 . 1 1 A 12 12 CYS CB C 12 28.894 27.619 1.275 2
1 60 . 1 1 A 12 12 CYS C C 12 172.990 173.680 -0.690 2
1 61 . 1 1 A 13 13 TYR N N 13 124.152 125.083 -0.931 2
1 62 . 1 1 A 13 13 TYR H H 13 8.727 8.460 0.267 2
1 63 . 1 1 A 13 13 TYR CA C 13 57.441 58.992 -1.552 2
1 64 . 1 1 A 13 13 TYR HA H 13 4.601 4.664 -0.063 2
1 65 . 1 1 A 13 13 TYR CB C 13 39.188 38.682 0.506 2
1 76 . 1 1 A 13 13 TYR C C 13 174.171 175.303 -1.132 2
1 77 . 1 1 A 14 14 LYS N N 14 125.412 125.323 0.089 2
1 78 . 1 1 A 14 14 LYS H H 14 8.727 8.785 -0.058 2
1 79 . 1 1 A 14 14 LYS CA C 14 54.992 54.650 0.342 2
1 80 . 1 1 A 14 14 LYS HA H 14 5.102 5.312 -0.210 2
1 81 . 1 1 A 14 14 LYS CB C 14 36.167 35.696 0.471 2
1 93 . 1 1 A 14 14 LYS C C 14 175.134 175.325 -0.191 2
1 94 . 1 1 A 15 15 CYS N N 15 127.849 124.922 2.927 2
1 95 . 1 1 A 15 15 CYS H H 15 9.310 9.277 0.033 2
1 96 . 1 1 A 15 15 CYS CA C 15 59.999 58.681 1.318 2
1 97 . 1 1 A 15 15 CYS HA H 15 4.533 4.754 -0.221 2
1 98 . 1 1 A 15 15 CYS CB C 15 29.661 28.789 0.872 2
1 101 . 1 1 A 15 15 CYS C C 15 176.848 175.229 1.619 2
1 102 . 1 1 A 16 16 ASP N N 16 115.181 127.662 -12.481 2
1 103 . 1 1 A 16 16 ASP H H 16 9.321 8.966 0.355 2
1 104 . 1 1 A 16 16 ASP CA C 16 56.333 55.054 1.279 2
1 105 . 1 1 A 16 16 ASP HA H 16 4.447 4.655 -0.208 2
1 106 . 1 1 A 16 16 ASP CB C 16 40.579 40.629 -0.050 2
1 109 . 1 1 A 16 16 ASP C C 16 175.969 177.186 -1.217 2
1 110 . 1 1 A 17 17 VAL N N 17 121.861 118.996 2.865 2
1 111 . 1 1 A 17 17 VAL H H 17 8.757 7.902 0.855 2
1 112 . 1 1 A 17 17 VAL CA C 17 65.159 65.049 0.110 2
1 113 . 1 1 A 17 17 VAL HA H 17 3.797 3.838 -0.041 2
1 114 . 1 1 A 17 17 VAL CB C 17 32.936 32.590 0.346 2
1 124 . 1 1 A 17 17 VAL C C 17 177.154 177.412 -0.258 2
1 125 . 1 1 A 18 18 CYS N N 18 115.378 115.090 0.288 2
1 126 . 1 1 A 18 18 CYS H H 18 8.044 7.752 0.292 2
1 127 . 1 1 A 18 18 CYS CA C 18 58.172 59.465 -1.293 2
1 128 . 1 1 A 18 18 CYS HA H 18 5.163 4.644 0.519 2
1 129 . 1 1 A 18 18 CYS CB C 18 32.784 29.948 2.836 2
1 132 . 1 1 A 18 18 CYS C C 18 176.540 175.337 1.203 2
1 133 . 1 1 A 19 19 GLY N N 19 113.425 109.925 3.500 2
1 134 . 1 1 A 19 19 GLY H H 19 8.066 8.069 -0.003 2
1 135 . 1 1 A 19 19 GLY CA C 19 46.336 45.470 0.866 2
1 136 . 1 1 A 19 19 GLY HA2 H 19 4.269 4.059 0.210 2
1 137 . 1 1 A 19 19 GLY HA3 H 19 3.806 4.067 -0.261 2
1 138 . 1 1 A 19 19 GLY C C 19 173.558 174.201 -0.643 2
1 139 . 1 1 A 20 20 LYS N N 20 123.276 120.856 2.420 2
1 140 . 1 1 A 20 20 LYS H H 20 8.018 7.834 0.184 2
1 141 . 1 1 A 20 20 LYS CA C 20 58.465 55.109 3.356 2
1 142 . 1 1 A 20 20 LYS HA H 20 3.935 4.593 -0.658 2
1 143 . 1 1 A 20 20 LYS CB C 20 33.640 34.597 -0.957 2
1 155 . 1 1 A 20 20 LYS C C 20 174.303 175.037 -0.734 2
1 156 . 1 1 A 21 21 GLU N N 21 120.572 122.832 -2.260 2
1 157 . 1 1 A 21 21 GLU H H 21 7.893 8.136 -0.243 2
1 158 . 1 1 A 21 21 GLU CA C 21 55.071 54.714 0.357 2
1 159 . 1 1 A 21 21 GLU HA H 21 4.863 5.228 -0.365 2
1 160 . 1 1 A 21 21 GLU CB C 21 32.738 33.572 -0.834 2
1 166 . 1 1 A 21 21 GLU C C 21 175.442 174.788 0.654 2
1 167 . 1 1 A 22 22 PHE N N 22 118.232 122.346 -4.114 2
1 168 . 1 1 A 22 22 PHE H H 22 8.808 9.301 -0.493 2
1 169 . 1 1 A 22 22 PHE CA C 22 56.999 56.775 0.224 2
1 170 . 1 1 A 22 22 PHE HA H 22 4.879 5.027 -0.148 2
1 171 . 1 1 A 22 22 PHE CB C 22 43.906 43.559 0.347 2
1 184 . 1 1 A 22 22 PHE C C 22 175.502 175.683 -0.181 2
1 185 . 1 1 A 23 23 SER CA C 23 59.319 59.968 -0.649 2
1 186 . 1 1 A 23 23 SER HA H 23 4.872 4.564 0.308 2
1 187 . 1 1 A 23 23 SER CB C 23 64.471 64.139 0.332 2
1 190 . 1 1 A 23 23 SER C C 23 174.157 174.097 0.060 2
1 191 . 1 1 A 24 24 GLN N N 24 115.876 119.641 -3.765 2
1 192 . 1 1 A 24 24 GLN H H 24 7.123 7.560 -0.437 2
1 193 . 1 1 A 24 24 GLN CA C 24 53.975 54.479 -0.504 2
1 194 . 1 1 A 24 24 GLN HA H 24 4.582 4.482 0.100 2
1 195 . 1 1 A 24 24 GLN CB C 24 31.867 30.185 1.682 2
1 204 . 1 1 A 24 24 GLN C C 24 175.839 176.268 -0.429 2
1 205 . 1 1 A 25 25 SER CA C 25 61.060 61.384 -0.324 2
1 206 . 1 1 A 25 25 SER HA H 25 3.107 3.171 -0.064 2
1 207 . 1 1 A 25 25 SER CB C 25 61.929 62.406 -0.477 2
1 210 . 1 1 A 26 26 SER CA C 26 61.019 61.873 -0.854 2
1 211 . 1 1 A 26 26 SER HA H 26 4.054 4.098 -0.044 2
1 212 . 1 1 A 26 26 SER CB C 26 61.700 62.780 -1.080 2
1 214 . 1 1 A 26 26 SER C C 26 176.800 176.878 -0.078 2
1 215 . 1 1 A 27 27 HIS N N 27 120.923 119.372 1.551 2
1 216 . 1 1 A 27 27 HIS H H 27 6.656 8.042 -1.386 2
1 217 . 1 1 A 27 27 HIS CA C 27 56.877 58.774 -1.897 2
1 218 . 1 1 A 27 27 HIS HA H 27 4.465 4.240 0.225 2
1 219 . 1 1 A 27 27 HIS CB C 27 31.765 29.869 1.896 2
1 226 . 1 1 A 27 27 HIS C C 27 178.354 177.181 1.173 2
1 227 . 1 1 A 28 28 LEU N N 28 121.000 120.432 0.568 2
1 228 . 1 1 A 28 28 LEU H H 28 6.955 7.643 -0.688 2
1 229 . 1 1 A 28 28 LEU CA C 28 57.734 57.524 0.210 2
1 230 . 1 1 A 28 28 LEU HA H 28 3.249 2.775 0.474 2
1 231 . 1 1 A 28 28 LEU CB C 28 40.290 41.701 -1.411 2
1 244 . 1 1 A 28 28 LEU C C 28 177.380 178.400 -1.020 2
1 245 . 1 1 A 29 29 GLN N N 29 118.542 117.665 0.877 2
1 246 . 1 1 A 29 29 GLN H H 29 8.074 8.013 0.061 2
1 247 . 1 1 A 29 29 GLN CA C 29 59.241 58.912 0.329 2
1 248 . 1 1 A 29 29 GLN HA H 29 4.078 3.988 0.090 2
1 249 . 1 1 A 29 29 GLN CB C 29 28.246 28.307 -0.061 2
1 258 . 1 1 A 29 29 GLN C C 29 179.270 178.393 0.877 2
1 259 . 1 1 A 30 30 THR N N 30 115.381 117.303 -1.922 2
1 260 . 1 1 A 30 30 THR H H 30 8.023 8.024 -0.001 2
1 261 . 1 1 A 30 30 THR CA C 30 66.331 66.631 -0.300 2
1 262 . 1 1 A 30 30 THR HA H 30 3.857 3.917 -0.060 2
1 263 . 1 1 A 30 30 THR CB C 30 68.800 68.426 0.374 2
1 269 . 1 1 A 30 30 THR C C 30 176.560 176.277 0.283 2
1 270 . 1 1 A 31 31 HIS N N 31 121.437 120.611 0.826 2
1 271 . 1 1 A 31 31 HIS H H 31 7.611 7.805 -0.194 2
1 272 . 1 1 A 31 31 HIS CA C 31 59.124 60.249 -1.125 2
1 273 . 1 1 A 31 31 HIS HA H 31 4.227 4.133 0.094 2
1 274 . 1 1 A 31 31 HIS CB C 31 28.616 29.655 -1.039 2
1 281 . 1 1 A 31 31 HIS C C 31 175.895 177.054 -1.159 2
1 282 . 1 1 A 32 32 GLN N N 32 115.030 117.547 -2.517 2
1 283 . 1 1 A 32 32 GLN H H 32 8.285 8.337 -0.052 2
1 284 . 1 1 A 32 32 GLN CA C 32 59.440 58.920 0.520 2
1 285 . 1 1 A 32 32 GLN HA H 32 3.680 3.756 -0.076 2
1 286 . 1 1 A 32 32 GLN CB C 32 28.287 28.286 0.001 2
1 295 . 1 1 A 32 32 GLN C C 32 177.393 178.433 -1.040 2
1 296 . 1 1 A 33 33 ARG N N 33 117.259 119.919 -2.660 2
1 297 . 1 1 A 33 33 ARG H H 33 7.113 7.993 -0.880 2
1 298 . 1 1 A 33 33 ARG CA C 33 58.407 58.839 -0.432 2
1 299 . 1 1 A 33 33 ARG HA H 33 4.158 4.107 0.051 2
1 300 . 1 1 A 33 33 ARG CB C 33 29.987 29.870 0.117 2
1 309 . 1 1 A 33 33 ARG C C 33 178.523 178.600 -0.077 2
1 310 . 1 1 A 34 34 VAL N N 34 116.132 116.591 -0.459 2
1 311 . 1 1 A 34 34 VAL H H 34 7.926 7.705 0.221 2
1 312 . 1 1 A 34 34 VAL CA C 34 64.005 64.613 -0.608 2
1 313 . 1 1 A 34 34 VAL HA H 34 3.917 3.799 0.118 2
1 314 . 1 1 A 34 34 VAL CB C 34 31.133 31.169 -0.036 2
1 324 . 1 1 A 34 34 VAL C C 34 177.246 176.773 0.473 2
1 325 . 1 1 A 35 35 HIS N N 35 116.613 119.190 -2.577 2
1 326 . 1 1 A 35 35 HIS H H 35 7.200 7.794 -0.594 2
1 327 . 1 1 A 35 35 HIS CA C 35 54.962 56.991 -2.029 2
1 328 . 1 1 A 35 35 HIS HA H 35 4.945 4.598 0.347 2
1 329 . 1 1 A 35 35 HIS CB C 35 28.553 31.000 -2.447 2
1 336 . 1 1 A 35 35 HIS C C 35 175.670 175.392 0.278 2
1 337 . 1 1 A 36 36 THR N N 36 112.053 112.499 -0.446 2
1 338 . 1 1 A 36 36 THR H H 36 7.769 7.729 0.040 2
1 339 . 1 1 A 36 36 THR CA C 36 62.692 61.991 0.701 2
1 340 . 1 1 A 36 36 THR HA H 36 4.347 4.351 -0.004 2
1 341 . 1 1 A 36 36 THR CB C 36 69.819 69.915 -0.096 2
1 347 . 1 1 A 36 36 THR C C 36 175.500 174.730 0.770 2
1 348 . 1 1 A 37 37 GLY CA C 37 45.299 45.686 -0.387 2
1 349 . 1 1 A 37 37 GLY HA2 H 37 3.936 3.983 -0.047 2
1 350 . 1 1 A 37 37 GLY C C 37 173.971 174.070 -0.099 2
1 351 . 1 1 A 38 38 GLU N N 38 120.577 120.876 -0.299 2
1 352 . 1 1 A 38 38 GLU H H 38 8.266 8.202 0.064 2
1 353 . 1 1 A 38 38 GLU CA C 38 56.543 55.883 0.660 2
1 354 . 1 1 A 38 38 GLU HA H 38 4.272 4.482 -0.210 2
1 355 . 1 1 A 38 38 GLU CB C 38 30.449 29.952 0.497 2
1 361 . 1 1 A 38 38 GLU C C 38 176.313 176.188 0.125 2
1 362 . 1 1 A 39 39 LYS N N 39 123.814 121.125 2.689 2
1 363 . 1 1 A 39 39 LYS H H 39 8.418 8.357 0.061 2
1 364 . 1 1 A 39 39 LYS CA C 39 54.156 56.847 -2.691 2
1 365 . 1 1 A 39 39 LYS HA H 39 4.611 4.183 0.428 2
1 366 . 1 1 A 39 39 LYS CB C 39 32.558 31.262 1.296 2
1 377 . 1 1 A 39 39 LYS C C 39 174.459 175.694 -1.235 2
1 378 . 1 1 A 40 40 PRO CA C 40 63.278 63.258 0.020 2
1 379 . 1 1 A 40 40 PRO HA H 40 4.465 4.525 -0.060 2
1 380 . 1 1 A 40 40 PRO CB C 40 32.181 31.576 0.605 2
1 389 . 1 1 A 42 42 GLY CA C 42 44.677 45.367 -0.690 2
1 390 . 1 1 A 42 42 GLY HA2 H 42 4.162 4.115 0.047 2
1 391 . 1 1 A 42 42 GLY HA3 H 42 4.112 4.115 -0.003 2
1 392 . 1 1 A 43 43 PRO CA C 43 63.257 63.267 -0.010 2
1 393 . 1 1 A 43 43 PRO HA H 43 4.479 4.539 -0.060 2
1 394 . 1 1 A 43 43 PRO CB C 43 32.210 31.726 0.484 2
1 402 . 1 1 A 45 45 SER CA C 45 58.380 58.266 0.114 2
1 403 . 1 1 A 45 45 SER HA H 45 4.440 4.622 -0.182 2
1 404 . 1 1 A 45 45 SER CB C 45 64.123 64.405 -0.282 2
1 406 . 1 1 A 45 45 SER C C 45 173.895 174.408 -0.513 2
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save_