data_10198_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 10198
_Entry.PDB_ID 2EM8
_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 4 . 1 1 1 A 9 9 GLY CA C 9 45.254 44.657 0.597 1
1 5 . 1 1 1 A 9 9 GLY HA3 H 9 3.953 4.182 -0.229 1
1 6 . 1 1 1 A 9 9 GLY C C 9 174.042 173.288 0.754 1
1 7 . 1 1 1 A 9 9 GLY HA2 H 9 3.953 4.177 -0.224 1
1 8 . 1 1 1 A 10 10 GLU N N 10 120.168 122.963 -2.795 1
1 9 . 1 1 1 A 10 10 GLU H H 10 8.189 8.745 -0.556 1
1 10 . 1 1 1 A 10 10 GLU CA C 10 56.864 55.895 0.969 1
1 11 . 1 1 1 A 10 10 GLU HA H 10 4.190 4.594 -0.404 1
1 12 . 1 1 1 A 10 10 GLU CB C 10 30.408 30.559 -0.151 1
1 16 . 1 1 1 A 10 10 GLU C C 10 176.310 175.712 0.598 1
1 19 . 1 1 1 A 11 11 LYS N N 11 121.384 124.036 -2.652 1
1 20 . 1 1 1 A 11 11 LYS H H 11 8.303 8.519 -0.216 1
1 21 . 1 1 1 A 11 11 LYS CA C 11 53.617 52.816 0.801 1
1 22 . 1 1 1 A 11 11 LYS HA H 11 4.442 4.788 -0.346 1
1 23 . 1 1 1 A 11 11 LYS CB C 11 32.516 33.965 -1.449 1
1 31 . 1 1 1 A 11 11 LYS C C 11 174.008 176.176 -2.168 1
1 36 . 1 1 1 A 12 12 PRO CA C 12 63.810 64.768 -0.958 1
1 37 . 1 1 1 A 12 12 PRO HA H 12 4.209 4.306 -0.097 1
1 38 . 1 1 1 A 12 12 PRO CB C 12 32.136 31.608 0.528 1
1 44 . 1 1 1 A 12 12 PRO C C 12 176.465 175.867 0.598 1
1 48 . 1 1 1 A 13 13 TYR N N 13 118.430 118.642 -0.212 1
1 49 . 1 1 1 A 13 13 TYR H H 13 7.828 7.245 0.583 1
1 50 . 1 1 1 A 13 13 TYR CA C 13 57.575 57.530 0.045 1
1 51 . 1 1 1 A 13 13 TYR HA H 13 4.633 5.036 -0.403 1
1 52 . 1 1 1 A 13 13 TYR CB C 13 38.137 40.881 -2.744 1
1 62 . 1 1 1 A 13 13 TYR C C 13 174.444 175.364 -0.920 1
1 64 . 1 1 1 A 14 14 LYS N N 14 124.304 121.143 3.161 1
1 65 . 1 1 1 A 14 14 LYS H H 14 8.454 8.910 -0.456 1
1 66 . 1 1 1 A 14 14 LYS CA C 14 54.800 54.254 0.546 1
1 67 . 1 1 1 A 14 14 LYS HA H 14 5.039 5.344 -0.305 1
1 68 . 1 1 1 A 14 14 LYS CB C 14 35.164 36.162 -0.998 1
1 76 . 1 1 1 A 14 14 LYS C C 14 175.455 175.495 -0.040 1
1 81 . 1 1 1 A 15 15 CYS N N 15 126.669 124.068 2.601 1
1 82 . 1 1 1 A 15 15 CYS H H 15 9.138 8.965 0.173 1
1 83 . 1 1 1 A 15 15 CYS CA C 15 59.488 59.834 -0.346 1
1 84 . 1 1 1 A 15 15 CYS HA H 15 4.611 4.566 0.045 1
1 85 . 1 1 1 A 15 15 CYS CB C 15 29.705 28.832 0.873 1
1 87 . 1 1 1 A 15 15 CYS C C 15 177.944 174.863 3.081 1
1 89 . 1 1 1 A 16 16 VAL N N 16 130.449 124.740 5.709 1
1 90 . 1 1 1 A 16 16 VAL H H 16 9.093 8.680 0.413 1
1 91 . 1 1 1 A 16 16 VAL CA C 16 64.724 63.585 1.139 1
1 92 . 1 1 1 A 16 16 VAL HA H 16 3.962 4.184 -0.222 1
1 93 . 1 1 1 A 16 16 VAL CB C 16 31.834 33.058 -1.224 1
1 103 . 1 1 1 A 16 16 VAL C C 16 176.285 177.413 -1.128 1
1 104 . 1 1 1 A 17 17 GLU N N 17 121.787 120.773 1.014 1
1 105 . 1 1 1 A 17 17 GLU H H 17 8.559 7.605 0.954 1
1 106 . 1 1 1 A 17 17 GLU CA C 17 58.471 58.862 -0.391 1
1 107 . 1 1 1 A 17 17 GLU HA H 17 4.214 3.965 0.249 1
1 108 . 1 1 1 A 17 17 GLU CB C 17 29.377 29.420 -0.043 1
1 112 . 1 1 1 A 17 17 GLU C C 17 177.492 177.851 -0.359 1
1 115 . 1 1 1 A 18 18 CYS N N 18 114.939 114.927 0.012 1
1 116 . 1 1 1 A 18 18 CYS H H 18 8.082 7.982 0.100 1
1 117 . 1 1 1 A 18 18 CYS CA C 18 58.471 59.557 -1.086 1
1 118 . 1 1 1 A 18 18 CYS HA H 18 5.192 4.691 0.501 1
1 119 . 1 1 1 A 18 18 CYS CB C 18 32.509 29.908 2.601 1
1 121 . 1 1 1 A 18 18 CYS C C 18 176.460 175.515 0.945 1
1 123 . 1 1 1 A 19 19 GLY N N 19 113.538 110.379 3.159 1
1 124 . 1 1 1 A 19 19 GLY H H 19 8.196 8.290 -0.094 1
1 125 . 1 1 1 A 19 19 GLY CA C 19 46.242 45.337 0.905 1
1 126 . 1 1 1 A 19 19 GLY HA3 H 19 4.259 4.038 0.221 1
1 127 . 1 1 1 A 19 19 GLY C C 19 173.676 174.702 -1.026 1
1 128 . 1 1 1 A 19 19 GLY HA2 H 19 3.798 4.031 -0.233 1
1 129 . 1 1 1 A 20 20 LYS N N 20 123.263 120.381 2.882 1
1 130 . 1 1 1 A 20 20 LYS H H 20 7.926 7.415 0.511 1
1 131 . 1 1 1 A 20 20 LYS CA C 20 58.523 56.615 1.908 1
1 132 . 1 1 1 A 20 20 LYS HA H 20 3.981 4.381 -0.400 1
1 133 . 1 1 1 A 20 20 LYS CB C 20 33.810 34.378 -0.568 1
1 141 . 1 1 1 A 20 20 LYS C C 20 175.052 175.498 -0.446 1
1 146 . 1 1 1 A 21 21 GLY N N 21 108.411 108.029 0.382 1
1 147 . 1 1 1 A 21 21 GLY H H 21 7.976 8.414 -0.438 1
1 148 . 1 1 1 A 21 21 GLY CA C 21 44.194 44.474 -0.280 1
1 149 . 1 1 1 A 21 21 GLY HA3 H 21 4.999 4.411 0.588 1
1 150 . 1 1 1 A 21 21 GLY C C 21 172.339 171.427 0.912 1
1 151 . 1 1 1 A 21 21 GLY HA2 H 21 3.313 4.305 -0.992 1
1 152 . 1 1 1 A 22 22 TYR N N 22 118.701 124.099 -5.398 1
1 153 . 1 1 1 A 22 22 TYR H H 22 8.712 9.340 -0.628 1
1 154 . 1 1 1 A 22 22 TYR CA C 22 58.193 56.891 1.302 1
1 155 . 1 1 1 A 22 22 TYR HA H 22 4.627 5.014 -0.387 1
1 156 . 1 1 1 A 22 22 TYR CB C 22 43.318 41.588 1.730 1
1 166 . 1 1 1 A 22 22 TYR C C 22 175.114 176.143 -1.029 1
1 168 . 1 1 1 A 23 23 LYS N N 23 120.476 125.245 -4.769 1
1 169 . 1 1 1 A 23 23 LYS H H 23 9.060 8.912 0.148 1
1 170 . 1 1 1 A 23 23 LYS CA C 23 58.595 59.282 -0.687 1
1 171 . 1 1 1 A 23 23 LYS HA H 23 4.450 4.151 0.299 1
1 172 . 1 1 1 A 23 23 LYS CB C 23 33.830 32.532 1.298 1
1 180 . 1 1 1 A 23 23 LYS C C 23 176.227 176.238 -0.011 1
1 185 . 1 1 1 A 24 24 ARG N N 24 114.342 119.129 -4.787 1
1 186 . 1 1 1 A 24 24 ARG H H 24 7.929 7.917 0.012 1
1 187 . 1 1 1 A 24 24 ARG CA C 24 53.954 54.547 -0.593 1
1 188 . 1 1 1 A 24 24 ARG HA H 24 4.786 4.902 -0.116 1
1 189 . 1 1 1 A 24 24 ARG CB C 24 32.890 33.330 -0.440 1
1 195 . 1 1 1 A 24 24 ARG C C 24 176.136 176.258 -0.122 1
1 199 . 1 1 1 A 25 25 ARG N N 25 127.212 126.504 0.708 1
1 200 . 1 1 1 A 25 25 ARG H H 25 8.379 8.649 -0.270 1
1 201 . 1 1 1 A 25 25 ARG CA C 25 58.968 59.295 -0.327 1
1 202 . 1 1 1 A 25 25 ARG HA H 25 3.047 3.363 -0.316 1
1 203 . 1 1 1 A 25 25 ARG CB C 25 28.874 29.457 -0.583 1
1 209 . 1 1 1 A 25 25 ARG C C 25 178.039 177.812 0.227 1
1 213 . 1 1 1 A 26 26 LEU N N 26 117.424 120.277 -2.853 1
1 214 . 1 1 1 A 26 26 LEU H H 26 8.321 8.076 0.245 1
1 215 . 1 1 1 A 26 26 LEU CA C 26 57.922 58.364 -0.442 1
1 216 . 1 1 1 A 26 26 LEU HA H 26 4.008 3.921 0.087 1
1 217 . 1 1 1 A 26 26 LEU CB C 26 42.295 42.042 0.253 1
1 229 . 1 1 1 A 26 26 LEU C C 26 178.591 177.788 0.803 1
1 231 . 1 1 1 A 27 27 ASP N N 27 116.153 118.030 -1.877 1
1 232 . 1 1 1 A 27 27 ASP H H 27 6.677 7.899 -1.222 1
1 233 . 1 1 1 A 27 27 ASP CA C 27 56.775 57.041 -0.266 1
1 234 . 1 1 1 A 27 27 ASP HA H 27 4.419 4.423 -0.004 1
1 235 . 1 1 1 A 27 27 ASP CB C 27 40.901 40.758 0.143 1
1 237 . 1 1 1 A 27 27 ASP C C 27 178.564 178.614 -0.050 1
1 239 . 1 1 1 A 28 28 LEU N N 28 122.965 121.093 1.872 1
1 240 . 1 1 1 A 28 28 LEU H H 28 7.010 7.757 -0.747 1
1 241 . 1 1 1 A 28 28 LEU CA C 28 57.793 57.793 0.000 1
1 242 . 1 1 1 A 28 28 LEU HA H 28 3.620 3.252 0.368 1
1 243 . 1 1 1 A 28 28 LEU CB C 28 40.261 41.289 -1.028 1
1 255 . 1 1 1 A 28 28 LEU C C 28 177.807 178.008 -0.201 1
1 257 . 1 1 1 A 29 29 ASP N N 29 120.296 119.033 1.263 1
1 258 . 1 1 1 A 29 29 ASP H H 29 8.371 8.415 -0.044 1
1 259 . 1 1 1 A 29 29 ASP CA C 29 57.703 57.077 0.626 1
1 260 . 1 1 1 A 29 29 ASP HA H 29 4.299 4.283 0.016 1
1 261 . 1 1 1 A 29 29 ASP CB C 29 39.968 41.407 -1.439 1
1 263 . 1 1 1 A 29 29 ASP C C 29 179.252 178.283 0.969 1
1 265 . 1 1 1 A 30 30 PHE N N 30 118.906 120.044 -1.138 1
1 266 . 1 1 1 A 30 30 PHE H H 30 7.830 7.575 0.255 1
1 267 . 1 1 1 A 30 30 PHE CA C 30 60.984 60.115 0.869 1
1 268 . 1 1 1 A 30 30 PHE HA H 30 4.238 4.142 0.096 1
1 269 . 1 1 1 A 30 30 PHE CB C 30 38.859 39.680 -0.821 1
1 281 . 1 1 1 A 30 30 PHE C C 30 178.386 177.473 0.913 1
1 283 . 1 1 1 A 31 31 HIS N N 31 119.537 118.652 0.885 1
1 284 . 1 1 1 A 31 31 HIS H H 31 7.773 8.417 -0.644 1
1 285 . 1 1 1 A 31 31 HIS CA C 31 58.968 59.866 -0.898 1
1 286 . 1 1 1 A 31 31 HIS HA H 31 4.244 4.253 -0.009 1
1 287 . 1 1 1 A 31 31 HIS CB C 31 28.055 29.604 -1.549 1
1 293 . 1 1 1 A 31 31 HIS C C 31 176.042 177.373 -1.331 1
1 295 . 1 1 1 A 32 32 GLN N N 32 114.850 117.298 -2.448 1
1 296 . 1 1 1 A 32 32 GLN H H 32 8.297 8.210 0.087 1
1 297 . 1 1 1 A 32 32 GLN CA C 32 59.097 58.980 0.117 1
1 298 . 1 1 1 A 32 32 GLN HA H 32 3.694 3.792 -0.098 1
1 299 . 1 1 1 A 32 32 GLN CB C 32 28.158 28.346 -0.188 1
1 306 . 1 1 1 A 32 32 GLN C C 32 177.287 178.534 -1.247 1
1 309 . 1 1 1 A 33 33 ARG N N 33 117.557 120.594 -3.037 1
1 310 . 1 1 1 A 33 33 ARG H H 33 7.132 8.037 -0.905 1
1 311 . 1 1 1 A 33 33 ARG CA C 33 58.358 58.963 -0.605 1
1 312 . 1 1 1 A 33 33 ARG HA H 33 4.101 3.935 0.166 1
1 313 . 1 1 1 A 33 33 ARG CB C 33 29.730 29.606 0.124 1
1 319 . 1 1 1 A 33 33 ARG C C 33 178.499 178.821 -0.322 1
1 323 . 1 1 1 A 34 34 VAL N N 34 116.405 116.875 -0.470 1
1 324 . 1 1 1 A 34 34 VAL H H 34 7.885 7.936 -0.051 1
1 325 . 1 1 1 A 34 34 VAL CA C 34 63.968 65.324 -1.356 1
1 326 . 1 1 1 A 34 34 VAL HA H 34 3.874 3.664 0.210 1
1 327 . 1 1 1 A 34 34 VAL CB C 34 31.122 31.174 -0.052 1
1 337 . 1 1 1 A 34 34 VAL C C 34 177.300 177.683 -0.383 1
1 338 . 1 1 1 A 35 35 HIS N N 35 117.405 120.474 -3.069 1
1 339 . 1 1 1 A 35 35 HIS H H 35 7.235 7.558 -0.323 1
1 340 . 1 1 1 A 35 35 HIS CA C 35 55.330 59.595 -4.265 1
1 341 . 1 1 1 A 35 35 HIS HA H 35 4.857 4.273 0.584 1
1 342 . 1 1 1 A 35 35 HIS CB C 35 28.661 30.860 -2.199 1
1 348 . 1 1 1 A 35 35 HIS C C 35 175.854 177.791 -1.937 1
1 350 . 1 1 1 A 36 36 THR N N 36 112.155 110.949 1.206 1
1 351 . 1 1 1 A 36 36 THR H H 36 7.788 7.723 0.065 1
1 352 . 1 1 1 A 36 36 THR CA C 36 62.772 63.408 -0.636 1
1 353 . 1 1 1 A 36 36 THR HA H 36 4.328 4.124 0.204 1
1 354 . 1 1 1 A 36 36 THR CB C 36 69.799 69.502 0.297 1
1 360 . 1 1 1 A 36 36 THR C C 36 175.542 174.814 0.728 1
1 361 . 1 1 1 A 37 37 GLY N N 37 110.545 108.329 2.216 1
1 362 . 1 1 1 A 37 37 GLY H H 37 8.233 7.554 0.679 1
1 363 . 1 1 1 A 37 37 GLY CA C 37 45.526 45.793 -0.267 1
1 364 . 1 1 1 A 37 37 GLY HA3 H 37 4.024 3.979 0.045 1
1 365 . 1 1 1 A 37 37 GLY C C 37 174.293 171.707 2.586 1
1 366 . 1 1 1 A 37 37 GLY HA2 H 37 3.942 3.978 -0.036 1
1 367 . 1 1 1 A 38 38 GLU N N 38 120.757 121.457 -0.700 1
1 368 . 1 1 1 A 38 38 GLU H H 38 8.087 8.951 -0.864 1
1 369 . 1 1 1 A 38 38 GLU CA C 38 56.756 54.926 1.830 1
1 370 . 1 1 1 A 38 38 GLU HA H 38 4.226 4.992 -0.766 1
1 371 . 1 1 1 A 38 38 GLU CB C 38 30.420 33.393 -2.973 1
1 375 . 1 1 1 A 38 38 GLU C C 38 176.480 175.118 1.362 1
1 378 . 1 1 1 A 39 39 LYS N N 39 122.154 123.030 -0.876 1
1 379 . 1 1 1 A 39 39 LYS H H 39 8.322 8.667 -0.345 1
1 380 . 1 1 1 A 39 39 LYS CA C 39 56.239 55.405 0.834 1
1 381 . 1 1 1 A 39 39 LYS HA H 39 4.315 4.750 -0.435 1
1 382 . 1 1 1 A 39 39 LYS CB C 39 32.799 33.319 -0.520 1
1 390 . 1 1 1 A 39 39 LYS C C 39 176.535 175.703 0.832 1
1 395 . 1 1 1 A 40 40 LEU N N 40 123.630 124.721 -1.091 1
1 396 . 1 1 1 A 40 40 LEU H H 40 8.299 8.794 -0.495 1
1 397 . 1 1 1 A 40 40 LEU CA C 40 55.167 56.613 -1.446 1
1 398 . 1 1 1 A 40 40 LEU HA H 40 4.398 4.488 -0.090 1
1 399 . 1 1 1 A 40 40 LEU CB C 40 42.364 44.346 -1.982 1
1 411 . 1 1 1 A 40 40 LEU C C 40 177.392 176.679 0.713 1
1 413 . 1 1 1 A 41 41 SER N N 41 116.506 115.164 1.342 1
1 414 . 1 1 1 A 41 41 SER H H 41 8.307 7.875 0.432 1
1 415 . 1 1 1 A 41 41 SER CA C 41 58.290 58.733 -0.443 1
1 416 . 1 1 1 A 41 41 SER HA H 41 4.449 4.415 0.034 1
1 417 . 1 1 1 A 41 41 SER CB C 41 64.054 63.843 0.211 1
1 419 . 1 1 1 A 41 41 SER C C 41 174.470 173.871 0.599 1
1 421 . 1 1 1 A 42 42 GLY N N 42 110.630 110.650 -0.020 1
1 422 . 1 1 1 A 42 42 GLY H H 42 8.215 8.194 0.021 1
1 423 . 1 1 1 A 42 42 GLY CA C 42 44.768 46.072 -1.304 1
1 424 . 1 1 1 A 42 42 GLY HA3 H 42 4.145 4.110 0.035 1
1 425 . 1 1 1 A 42 42 GLY C C 42 171.726 174.030 -2.304 1
1 426 . 1 1 1 A 42 42 GLY HA2 H 42 4.145 4.110 0.035 1
1 427 . 1 1 1 A 43 43 PRO CA C 43 63.300 62.715 0.585 1
1 428 . 1 1 1 A 43 43 PRO HA H 43 4.487 4.521 -0.034 1
1 429 . 1 1 1 A 43 43 PRO CB C 43 32.225 32.190 0.035 1
1 435 . 1 1 1 A 43 43 PRO C C 43 177.377 176.761 0.616 1
1 439 . 1 1 1 A 44 44 SER N N 44 116.384 115.304 1.080 1
1 440 . 1 1 1 A 44 44 SER H H 44 8.538 8.343 0.195 1
1 441 . 1 1 1 A 44 44 SER CA C 44 58.396 57.066 1.330 1
1 442 . 1 1 1 A 44 44 SER HA H 44 4.462 4.594 -0.132 1
1 443 . 1 1 1 A 44 44 SER CB C 44 63.785 63.848 -0.063 1
1 445 . 1 1 1 A 44 44 SER C C 44 174.636 174.033 0.603 1
1 447 . 1 1 1 A 45 45 SER N N 45 117.830 118.175 -0.345 1
1 448 . 1 1 1 A 45 45 SER H H 45 8.331 8.810 -0.479 1
1 449 . 1 1 1 A 45 45 SER CA C 45 58.388 58.557 -0.169 1
1 450 . 1 1 1 A 45 45 SER HA H 45 4.452 4.403 0.049 1
1 451 . 1 1 1 A 45 45 SER CB C 45 64.109 63.906 0.203 1
1 453 . 1 1 1 A 45 45 SER C C 45 173.898 174.174 -0.276 1
1 4 . 2 1 1 A 9 9 GLY CA C 9 45.254 44.696 0.558 1
1 5 . 2 1 1 A 9 9 GLY HA3 H 9 3.953 4.211 -0.258 1
1 6 . 2 1 1 A 9 9 GLY C C 9 174.042 173.317 0.725 1
1 7 . 2 1 1 A 9 9 GLY HA2 H 9 3.953 4.205 -0.252 1
1 8 . 2 1 1 A 10 10 GLU N N 10 120.168 125.692 -5.524 1
1 9 . 2 1 1 A 10 10 GLU H H 10 8.189 8.796 -0.607 1
1 10 . 2 1 1 A 10 10 GLU CA C 10 56.864 56.914 -0.050 1
1 11 . 2 1 1 A 10 10 GLU HA H 10 4.190 4.328 -0.138 1
1 12 . 2 1 1 A 10 10 GLU CB C 10 30.408 30.623 -0.215 1
1 16 . 2 1 1 A 10 10 GLU C C 10 176.310 175.585 0.725 1
1 19 . 2 1 1 A 11 11 LYS N N 11 121.384 126.542 -5.158 1
1 20 . 2 1 1 A 11 11 LYS H H 11 8.303 8.270 0.033 1
1 21 . 2 1 1 A 11 11 LYS CA C 11 53.617 53.226 0.391 1
1 22 . 2 1 1 A 11 11 LYS HA H 11 4.442 4.759 -0.317 1
1 23 . 2 1 1 A 11 11 LYS CB C 11 32.516 33.657 -1.141 1
1 31 . 2 1 1 A 11 11 LYS C C 11 174.008 176.265 -2.257 1
1 36 . 2 1 1 A 12 12 PRO CA C 12 63.810 64.971 -1.161 1
1 37 . 2 1 1 A 12 12 PRO HA H 12 4.209 4.262 -0.053 1
1 38 . 2 1 1 A 12 12 PRO CB C 12 32.136 31.586 0.550 1
1 44 . 2 1 1 A 12 12 PRO C C 12 176.465 175.891 0.574 1
1 48 . 2 1 1 A 13 13 TYR N N 13 118.430 118.252 0.178 1
1 49 . 2 1 1 A 13 13 TYR H H 13 7.828 7.751 0.077 1
1 50 . 2 1 1 A 13 13 TYR CA C 13 57.575 57.609 -0.034 1
1 51 . 2 1 1 A 13 13 TYR HA H 13 4.633 5.042 -0.409 1
1 52 . 2 1 1 A 13 13 TYR CB C 13 38.137 41.043 -2.906 1
1 62 . 2 1 1 A 13 13 TYR C C 13 174.444 175.253 -0.809 1
1 64 . 2 1 1 A 14 14 LYS N N 14 124.304 120.760 3.544 1
1 65 . 2 1 1 A 14 14 LYS H H 14 8.454 8.825 -0.371 1
1 66 . 2 1 1 A 14 14 LYS CA C 14 54.800 54.318 0.482 1
1 67 . 2 1 1 A 14 14 LYS HA H 14 5.039 5.283 -0.244 1
1 68 . 2 1 1 A 14 14 LYS CB C 14 35.164 36.508 -1.344 1
1 76 . 2 1 1 A 14 14 LYS C C 14 175.455 175.190 0.265 1
1 81 . 2 1 1 A 15 15 CYS N N 15 126.669 123.049 3.620 1
1 82 . 2 1 1 A 15 15 CYS H H 15 9.138 8.769 0.369 1
1 83 . 2 1 1 A 15 15 CYS CA C 15 59.488 59.570 -0.082 1
1 84 . 2 1 1 A 15 15 CYS HA H 15 4.611 4.674 -0.063 1
1 85 . 2 1 1 A 15 15 CYS CB C 15 29.705 28.709 0.996 1
1 87 . 2 1 1 A 15 15 CYS C C 15 177.944 174.859 3.085 1
1 89 . 2 1 1 A 16 16 VAL N N 16 130.449 124.494 5.955 1
1 90 . 2 1 1 A 16 16 VAL H H 16 9.093 8.570 0.523 1
1 91 . 2 1 1 A 16 16 VAL CA C 16 64.724 63.515 1.209 1
1 92 . 2 1 1 A 16 16 VAL HA H 16 3.962 4.187 -0.225 1
1 93 . 2 1 1 A 16 16 VAL CB C 16 31.834 33.045 -1.211 1
1 103 . 2 1 1 A 16 16 VAL C C 16 176.285 177.508 -1.223 1
1 104 . 2 1 1 A 17 17 GLU N N 17 121.787 120.783 1.004 1
1 105 . 2 1 1 A 17 17 GLU H H 17 8.559 7.674 0.885 1
1 106 . 2 1 1 A 17 17 GLU CA C 17 58.471 58.734 -0.263 1
1 107 . 2 1 1 A 17 17 GLU HA H 17 4.214 3.972 0.242 1
1 108 . 2 1 1 A 17 17 GLU CB C 17 29.377 29.491 -0.114 1
1 112 . 2 1 1 A 17 17 GLU C C 17 177.492 177.847 -0.355 1
1 115 . 2 1 1 A 18 18 CYS N N 18 114.939 115.146 -0.207 1
1 116 . 2 1 1 A 18 18 CYS H H 18 8.082 7.978 0.104 1
1 117 . 2 1 1 A 18 18 CYS CA C 18 58.471 59.545 -1.074 1
1 118 . 2 1 1 A 18 18 CYS HA H 18 5.192 4.691 0.501 1
1 119 . 2 1 1 A 18 18 CYS CB C 18 32.509 29.970 2.539 1
1 121 . 2 1 1 A 18 18 CYS C C 18 176.460 175.524 0.936 1
1 123 . 2 1 1 A 19 19 GLY N N 19 113.538 110.387 3.151 1
1 124 . 2 1 1 A 19 19 GLY H H 19 8.196 8.207 -0.011 1
1 125 . 2 1 1 A 19 19 GLY CA C 19 46.242 45.408 0.834 1
1 126 . 2 1 1 A 19 19 GLY HA3 H 19 4.259 4.045 0.214 1
1 127 . 2 1 1 A 19 19 GLY C C 19 173.676 174.884 -1.208 1
1 128 . 2 1 1 A 19 19 GLY HA2 H 19 3.798 4.037 -0.239 1
1 129 . 2 1 1 A 20 20 LYS N N 20 123.263 120.286 2.977 1
1 130 . 2 1 1 A 20 20 LYS H H 20 7.926 7.340 0.586 1
1 131 . 2 1 1 A 20 20 LYS CA C 20 58.523 56.705 1.818 1
1 132 . 2 1 1 A 20 20 LYS HA H 20 3.981 4.374 -0.393 1
1 133 . 2 1 1 A 20 20 LYS CB C 20 33.810 34.361 -0.551 1
1 141 . 2 1 1 A 20 20 LYS C C 20 175.052 175.553 -0.501 1
1 146 . 2 1 1 A 21 21 GLY N N 21 108.411 107.979 0.432 1
1 147 . 2 1 1 A 21 21 GLY H H 21 7.976 8.290 -0.314 1
1 148 . 2 1 1 A 21 21 GLY CA C 21 44.194 44.350 -0.156 1
1 149 . 2 1 1 A 21 21 GLY HA3 H 21 4.999 4.368 0.631 1
1 150 . 2 1 1 A 21 21 GLY C C 21 172.339 171.359 0.980 1
1 151 . 2 1 1 A 21 21 GLY HA2 H 21 3.313 4.264 -0.951 1
1 152 . 2 1 1 A 22 22 TYR N N 22 118.701 124.153 -5.452 1
1 153 . 2 1 1 A 22 22 TYR H H 22 8.712 9.318 -0.606 1
1 154 . 2 1 1 A 22 22 TYR CA C 22 58.193 56.546 1.647 1
1 155 . 2 1 1 A 22 22 TYR HA H 22 4.627 5.044 -0.417 1
1 156 . 2 1 1 A 22 22 TYR CB C 22 43.318 41.068 2.250 1
1 166 . 2 1 1 A 22 22 TYR C C 22 175.114 176.123 -1.009 1
1 168 . 2 1 1 A 23 23 LYS N N 23 120.476 126.642 -6.166 1
1 169 . 2 1 1 A 23 23 LYS H H 23 9.060 8.938 0.122 1
1 170 . 2 1 1 A 23 23 LYS CA C 23 58.595 59.388 -0.793 1
1 171 . 2 1 1 A 23 23 LYS HA H 23 4.450 4.131 0.319 1
1 172 . 2 1 1 A 23 23 LYS CB C 23 33.830 32.590 1.240 1
1 180 . 2 1 1 A 23 23 LYS C C 23 176.227 177.033 -0.806 1
1 185 . 2 1 1 A 24 24 ARG N N 24 114.342 119.465 -5.123 1
1 186 . 2 1 1 A 24 24 ARG H H 24 7.929 7.969 -0.040 1
1 187 . 2 1 1 A 24 24 ARG CA C 24 53.954 55.275 -1.321 1
1 188 . 2 1 1 A 24 24 ARG HA H 24 4.786 4.617 0.169 1
1 189 . 2 1 1 A 24 24 ARG CB C 24 32.890 30.752 2.138 1
1 195 . 2 1 1 A 24 24 ARG C C 24 176.136 176.163 -0.027 1
1 199 . 2 1 1 A 25 25 ARG N N 25 127.212 126.915 0.297 1
1 200 . 2 1 1 A 25 25 ARG H H 25 8.379 8.212 0.167 1
1 201 . 2 1 1 A 25 25 ARG CA C 25 58.968 59.019 -0.051 1
1 202 . 2 1 1 A 25 25 ARG HA H 25 3.047 3.350 -0.303 1
1 203 . 2 1 1 A 25 25 ARG CB C 25 28.874 29.277 -0.403 1
1 209 . 2 1 1 A 25 25 ARG C C 25 178.039 177.751 0.288 1
1 213 . 2 1 1 A 26 26 LEU N N 26 117.424 120.779 -3.355 1
1 214 . 2 1 1 A 26 26 LEU H H 26 8.321 7.991 0.330 1
1 215 . 2 1 1 A 26 26 LEU CA C 26 57.922 57.723 0.199 1
1 216 . 2 1 1 A 26 26 LEU HA H 26 4.008 3.999 0.009 1
1 217 . 2 1 1 A 26 26 LEU CB C 26 42.295 41.113 1.182 1
1 229 . 2 1 1 A 26 26 LEU C C 26 178.591 178.061 0.530 1
1 231 . 2 1 1 A 27 27 ASP N N 27 116.153 118.801 -2.648 1
1 232 . 2 1 1 A 27 27 ASP H H 27 6.677 8.455 -1.778 1
1 233 . 2 1 1 A 27 27 ASP CA C 27 56.775 57.231 -0.456 1
1 234 . 2 1 1 A 27 27 ASP HA H 27 4.419 4.482 -0.063 1
1 235 . 2 1 1 A 27 27 ASP CB C 27 40.901 40.699 0.202 1
1 237 . 2 1 1 A 27 27 ASP C C 27 178.564 178.556 0.008 1
1 239 . 2 1 1 A 28 28 LEU N N 28 122.965 120.371 2.594 1
1 240 . 2 1 1 A 28 28 LEU H H 28 7.010 7.522 -0.512 1
1 241 . 2 1 1 A 28 28 LEU CA C 28 57.793 57.647 0.146 1
1 242 . 2 1 1 A 28 28 LEU HA H 28 3.620 3.443 0.177 1
1 243 . 2 1 1 A 28 28 LEU CB C 28 40.261 41.493 -1.232 1
1 255 . 2 1 1 A 28 28 LEU C C 28 177.807 177.779 0.028 1
1 257 . 2 1 1 A 29 29 ASP N N 29 120.296 118.934 1.362 1
1 258 . 2 1 1 A 29 29 ASP H H 29 8.371 8.277 0.094 1
1 259 . 2 1 1 A 29 29 ASP CA C 29 57.703 57.087 0.616 1
1 260 . 2 1 1 A 29 29 ASP HA H 29 4.299 4.307 -0.008 1
1 261 . 2 1 1 A 29 29 ASP CB C 29 39.968 41.351 -1.383 1
1 263 . 2 1 1 A 29 29 ASP C C 29 179.252 178.217 1.035 1
1 265 . 2 1 1 A 30 30 PHE N N 30 118.906 120.060 -1.154 1
1 266 . 2 1 1 A 30 30 PHE H H 30 7.830 7.606 0.224 1
1 267 . 2 1 1 A 30 30 PHE CA C 30 60.984 60.342 0.642 1
1 268 . 2 1 1 A 30 30 PHE HA H 30 4.238 4.159 0.079 1
1 269 . 2 1 1 A 30 30 PHE CB C 30 38.859 39.361 -0.502 1
1 281 . 2 1 1 A 30 30 PHE C C 30 178.386 177.427 0.959 1
1 283 . 2 1 1 A 31 31 HIS N N 31 119.537 118.605 0.932 1
1 284 . 2 1 1 A 31 31 HIS H H 31 7.773 8.561 -0.788 1
1 285 . 2 1 1 A 31 31 HIS CA C 31 58.968 59.903 -0.935 1
1 286 . 2 1 1 A 31 31 HIS HA H 31 4.244 4.257 -0.013 1
1 287 . 2 1 1 A 31 31 HIS CB C 31 28.055 29.804 -1.749 1
1 293 . 2 1 1 A 31 31 HIS C C 31 176.042 177.438 -1.396 1
1 295 . 2 1 1 A 32 32 GLN N N 32 114.850 117.691 -2.841 1
1 296 . 2 1 1 A 32 32 GLN H H 32 8.297 8.225 0.072 1
1 297 . 2 1 1 A 32 32 GLN CA C 32 59.097 59.062 0.035 1
1 298 . 2 1 1 A 32 32 GLN HA H 32 3.694 3.925 -0.231 1
1 299 . 2 1 1 A 32 32 GLN CB C 32 28.158 28.271 -0.113 1
1 306 . 2 1 1 A 32 32 GLN C C 32 177.287 178.732 -1.445 1
1 309 . 2 1 1 A 33 33 ARG N N 33 117.557 120.174 -2.617 1
1 310 . 2 1 1 A 33 33 ARG H H 33 7.132 8.032 -0.900 1
1 311 . 2 1 1 A 33 33 ARG CA C 33 58.358 59.075 -0.717 1
1 312 . 2 1 1 A 33 33 ARG HA H 33 4.101 4.237 -0.136 1
1 313 . 2 1 1 A 33 33 ARG CB C 33 29.730 29.571 0.159 1
1 319 . 2 1 1 A 33 33 ARG C C 33 178.499 178.978 -0.479 1
1 323 . 2 1 1 A 34 34 VAL N N 34 116.405 116.356 0.049 1
1 324 . 2 1 1 A 34 34 VAL H H 34 7.885 7.830 0.055 1
1 325 . 2 1 1 A 34 34 VAL CA C 34 63.968 65.036 -1.068 1
1 326 . 2 1 1 A 34 34 VAL HA H 34 3.874 3.791 0.083 1
1 327 . 2 1 1 A 34 34 VAL CB C 34 31.122 31.207 -0.085 1
1 337 . 2 1 1 A 34 34 VAL C C 34 177.300 176.639 0.661 1
1 338 . 2 1 1 A 35 35 HIS N N 35 117.405 120.049 -2.644 1
1 339 . 2 1 1 A 35 35 HIS H H 35 7.235 7.575 -0.340 1
1 340 . 2 1 1 A 35 35 HIS CA C 35 55.330 58.014 -2.684 1
1 341 . 2 1 1 A 35 35 HIS HA H 35 4.857 4.474 0.383 1
1 342 . 2 1 1 A 35 35 HIS CB C 35 28.661 30.935 -2.274 1
1 348 . 2 1 1 A 35 35 HIS C C 35 175.854 178.034 -2.180 1
1 350 . 2 1 1 A 36 36 THR N N 36 112.155 112.799 -0.644 1
1 351 . 2 1 1 A 36 36 THR H H 36 7.788 8.320 -0.532 1
1 352 . 2 1 1 A 36 36 THR CA C 36 62.772 65.128 -2.356 1
1 353 . 2 1 1 A 36 36 THR HA H 36 4.328 3.977 0.351 1
1 354 . 2 1 1 A 36 36 THR CB C 36 69.799 68.133 1.666 1
1 360 . 2 1 1 A 36 36 THR C C 36 175.542 176.909 -1.367 1
1 361 . 2 1 1 A 37 37 GLY N N 37 110.545 110.568 -0.023 1
1 362 . 2 1 1 A 37 37 GLY H H 37 8.233 8.267 -0.034 1
1 363 . 2 1 1 A 37 37 GLY CA C 37 45.526 47.294 -1.768 1
1 364 . 2 1 1 A 37 37 GLY HA3 H 37 4.024 3.794 0.230 1
1 365 . 2 1 1 A 37 37 GLY C C 37 174.293 174.647 -0.354 1
1 366 . 2 1 1 A 37 37 GLY HA2 H 37 3.942 3.788 0.154 1
1 367 . 2 1 1 A 38 38 GLU N N 38 120.757 120.506 0.251 1
1 368 . 2 1 1 A 38 38 GLU H H 38 8.087 7.726 0.361 1
1 369 . 2 1 1 A 38 38 GLU CA C 38 56.756 55.691 1.065 1
1 370 . 2 1 1 A 38 38 GLU HA H 38 4.226 4.523 -0.297 1
1 371 . 2 1 1 A 38 38 GLU CB C 38 30.420 30.698 -0.278 1
1 375 . 2 1 1 A 38 38 GLU C C 38 176.480 175.996 0.484 1
1 378 . 2 1 1 A 39 39 LYS N N 39 122.154 128.694 -6.540 1
1 379 . 2 1 1 A 39 39 LYS H H 39 8.322 8.674 -0.352 1
1 380 . 2 1 1 A 39 39 LYS CA C 39 56.239 56.553 -0.314 1
1 381 . 2 1 1 A 39 39 LYS HA H 39 4.315 4.624 -0.309 1
1 382 . 2 1 1 A 39 39 LYS CB C 39 32.799 32.930 -0.131 1
1 390 . 2 1 1 A 39 39 LYS C C 39 176.535 176.193 0.342 1
1 395 . 2 1 1 A 40 40 LEU N N 40 123.630 128.732 -5.102 1
1 396 . 2 1 1 A 40 40 LEU H H 40 8.299 8.671 -0.372 1
1 397 . 2 1 1 A 40 40 LEU CA C 40 55.167 54.873 0.294 1
1 398 . 2 1 1 A 40 40 LEU HA H 40 4.398 4.362 0.036 1
1 399 . 2 1 1 A 40 40 LEU CB C 40 42.364 42.455 -0.091 1
1 411 . 2 1 1 A 40 40 LEU C C 40 177.392 176.654 0.738 1
1 413 . 2 1 1 A 41 41 SER N N 41 116.506 119.938 -3.432 1
1 414 . 2 1 1 A 41 41 SER H H 41 8.307 8.693 -0.386 1
1 415 . 2 1 1 A 41 41 SER CA C 41 58.290 59.001 -0.711 1
1 416 . 2 1 1 A 41 41 SER HA H 41 4.449 4.367 0.082 1
1 417 . 2 1 1 A 41 41 SER CB C 41 64.054 62.693 1.361 1
1 419 . 2 1 1 A 41 41 SER C C 41 174.470 173.452 1.018 1
1 421 . 2 1 1 A 42 42 GLY N N 42 110.630 114.474 -3.844 1
1 422 . 2 1 1 A 42 42 GLY H H 42 8.215 8.385 -0.170 1
1 423 . 2 1 1 A 42 42 GLY CA C 42 44.768 44.854 -0.086 1
1 424 . 2 1 1 A 42 42 GLY HA3 H 42 4.145 4.160 -0.015 1
1 425 . 2 1 1 A 42 42 GLY C C 42 171.726 174.023 -2.297 1
1 426 . 2 1 1 A 42 42 GLY HA2 H 42 4.145 4.159 -0.014 1
1 427 . 2 1 1 A 43 43 PRO CA C 43 63.300 64.010 -0.710 1
1 428 . 2 1 1 A 43 43 PRO HA H 43 4.487 4.493 -0.006 1
1 429 . 2 1 1 A 43 43 PRO CB C 43 32.225 31.805 0.420 1
1 435 . 2 1 1 A 43 43 PRO C C 43 177.377 177.170 0.207 1
1 439 . 2 1 1 A 44 44 SER N N 44 116.384 110.752 5.632 1
1 440 . 2 1 1 A 44 44 SER H H 44 8.538 8.086 0.452 1
1 441 . 2 1 1 A 44 44 SER CA C 44 58.396 57.956 0.440 1
1 442 . 2 1 1 A 44 44 SER HA H 44 4.462 4.499 -0.037 1
1 443 . 2 1 1 A 44 44 SER CB C 44 63.785 62.489 1.296 1
1 445 . 2 1 1 A 44 44 SER C C 44 174.636 173.482 1.154 1
1 447 . 2 1 1 A 45 45 SER N N 45 117.830 119.804 -1.974 1
1 448 . 2 1 1 A 45 45 SER H H 45 8.331 7.949 0.382 1
1 449 . 2 1 1 A 45 45 SER CA C 45 58.388 57.308 1.080 1
1 450 . 2 1 1 A 45 45 SER HA H 45 4.452 4.913 -0.461 1
1 451 . 2 1 1 A 45 45 SER CB C 45 64.109 64.998 -0.889 1
1 453 . 2 1 1 A 45 45 SER C C 45 173.898 173.975 -0.077 1
1 4 . 3 1 1 A 9 9 GLY CA C 9 45.254 44.349 0.905 1
1 5 . 3 1 1 A 9 9 GLY HA3 H 9 3.953 4.044 -0.091 1
1 6 . 3 1 1 A 9 9 GLY C C 9 174.042 173.136 0.906 1
1 7 . 3 1 1 A 9 9 GLY HA2 H 9 3.953 4.043 -0.090 1
1 8 . 3 1 1 A 10 10 GLU N N 10 120.168 121.221 -1.053 1
1 9 . 3 1 1 A 10 10 GLU H H 10 8.189 8.391 -0.202 1
1 10 . 3 1 1 A 10 10 GLU CA C 10 56.864 56.151 0.713 1
1 11 . 3 1 1 A 10 10 GLU HA H 10 4.190 4.504 -0.314 1
1 12 . 3 1 1 A 10 10 GLU CB C 10 30.408 30.070 0.338 1
1 16 . 3 1 1 A 10 10 GLU C C 10 176.310 175.850 0.460 1
1 19 . 3 1 1 A 11 11 LYS N N 11 121.384 127.946 -6.562 1
1 20 . 3 1 1 A 11 11 LYS H H 11 8.303 8.644 -0.341 1
1 21 . 3 1 1 A 11 11 LYS CA C 11 53.617 54.204 -0.587 1
1 22 . 3 1 1 A 11 11 LYS HA H 11 4.442 4.483 -0.041 1
1 23 . 3 1 1 A 11 11 LYS CB C 11 32.516 31.697 0.819 1
1 31 . 3 1 1 A 11 11 LYS C C 11 174.008 176.618 -2.610 1
1 36 . 3 1 1 A 12 12 PRO CA C 12 63.810 65.035 -1.225 1
1 37 . 3 1 1 A 12 12 PRO HA H 12 4.209 4.262 -0.053 1
1 38 . 3 1 1 A 12 12 PRO CB C 12 32.136 31.587 0.549 1
1 44 . 3 1 1 A 12 12 PRO C C 12 176.465 175.885 0.580 1
1 48 . 3 1 1 A 13 13 TYR N N 13 118.430 118.247 0.183 1
1 49 . 3 1 1 A 13 13 TYR H H 13 7.828 7.336 0.492 1
1 50 . 3 1 1 A 13 13 TYR CA C 13 57.575 57.575 0.000 1
1 51 . 3 1 1 A 13 13 TYR HA H 13 4.633 5.049 -0.416 1
1 52 . 3 1 1 A 13 13 TYR CB C 13 38.137 41.057 -2.920 1
1 62 . 3 1 1 A 13 13 TYR C C 13 174.444 175.395 -0.951 1
1 64 . 3 1 1 A 14 14 LYS N N 14 124.304 120.965 3.339 1
1 65 . 3 1 1 A 14 14 LYS H H 14 8.454 8.839 -0.385 1
1 66 . 3 1 1 A 14 14 LYS CA C 14 54.800 54.103 0.697 1
1 67 . 3 1 1 A 14 14 LYS HA H 14 5.039 5.400 -0.361 1
1 68 . 3 1 1 A 14 14 LYS CB C 14 35.164 36.365 -1.201 1
1 76 . 3 1 1 A 14 14 LYS C C 14 175.455 175.289 0.166 1
1 81 . 3 1 1 A 15 15 CYS N N 15 126.669 123.383 3.286 1
1 82 . 3 1 1 A 15 15 CYS H H 15 9.138 9.481 -0.343 1
1 83 . 3 1 1 A 15 15 CYS CA C 15 59.488 59.697 -0.209 1
1 84 . 3 1 1 A 15 15 CYS HA H 15 4.611 4.673 -0.062 1
1 85 . 3 1 1 A 15 15 CYS CB C 15 29.705 28.646 1.059 1
1 87 . 3 1 1 A 15 15 CYS C C 15 177.944 175.277 2.667 1
1 89 . 3 1 1 A 16 16 VAL N N 16 130.449 124.810 5.639 1
1 90 . 3 1 1 A 16 16 VAL H H 16 9.093 8.537 0.556 1
1 91 . 3 1 1 A 16 16 VAL CA C 16 64.724 63.271 1.453 1
1 92 . 3 1 1 A 16 16 VAL HA H 16 3.962 4.214 -0.252 1
1 93 . 3 1 1 A 16 16 VAL CB C 16 31.834 32.807 -0.973 1
1 103 . 3 1 1 A 16 16 VAL C C 16 176.285 177.447 -1.162 1
1 104 . 3 1 1 A 17 17 GLU N N 17 121.787 120.784 1.003 1
1 105 . 3 1 1 A 17 17 GLU H H 17 8.559 7.652 0.907 1
1 106 . 3 1 1 A 17 17 GLU CA C 17 58.471 58.547 -0.076 1
1 107 . 3 1 1 A 17 17 GLU HA H 17 4.214 4.061 0.153 1
1 108 . 3 1 1 A 17 17 GLU CB C 17 29.377 29.629 -0.252 1
1 112 . 3 1 1 A 17 17 GLU C C 17 177.492 177.850 -0.358 1
1 115 . 3 1 1 A 18 18 CYS N N 18 114.939 114.988 -0.049 1
1 116 . 3 1 1 A 18 18 CYS H H 18 8.082 7.878 0.204 1
1 117 . 3 1 1 A 18 18 CYS CA C 18 58.471 59.279 -0.808 1
1 118 . 3 1 1 A 18 18 CYS HA H 18 5.192 4.731 0.461 1
1 119 . 3 1 1 A 18 18 CYS CB C 18 32.509 30.424 2.085 1
1 121 . 3 1 1 A 18 18 CYS C C 18 176.460 175.821 0.639 1
1 123 . 3 1 1 A 19 19 GLY N N 19 113.538 110.338 3.200 1
1 124 . 3 1 1 A 19 19 GLY H H 19 8.196 8.259 -0.063 1
1 125 . 3 1 1 A 19 19 GLY CA C 19 46.242 45.150 1.092 1
1 126 . 3 1 1 A 19 19 GLY HA3 H 19 4.259 4.053 0.206 1
1 127 . 3 1 1 A 19 19 GLY C C 19 173.676 174.526 -0.850 1
1 128 . 3 1 1 A 19 19 GLY HA2 H 19 3.798 4.043 -0.245 1
1 129 . 3 1 1 A 20 20 LYS N N 20 123.263 122.654 0.609 1
1 130 . 3 1 1 A 20 20 LYS H H 20 7.926 7.541 0.385 1
1 131 . 3 1 1 A 20 20 LYS CA C 20 58.523 56.485 2.038 1
1 132 . 3 1 1 A 20 20 LYS HA H 20 3.981 4.233 -0.252 1
1 133 . 3 1 1 A 20 20 LYS CB C 20 33.810 33.607 0.203 1
1 141 . 3 1 1 A 20 20 LYS C C 20 175.052 175.915 -0.863 1
1 146 . 3 1 1 A 21 21 GLY N N 21 108.411 112.327 -3.916 1
1 147 . 3 1 1 A 21 21 GLY H H 21 7.976 8.523 -0.547 1
1 148 . 3 1 1 A 21 21 GLY CA C 21 44.194 44.368 -0.174 1
1 149 . 3 1 1 A 21 21 GLY HA3 H 21 4.999 4.299 0.700 1
1 150 . 3 1 1 A 21 21 GLY C C 21 172.339 171.759 0.580 1
1 151 . 3 1 1 A 21 21 GLY HA2 H 21 3.313 4.214 -0.901 1
1 152 . 3 1 1 A 22 22 TYR N N 22 118.701 123.776 -5.075 1
1 153 . 3 1 1 A 22 22 TYR H H 22 8.712 9.037 -0.325 1
1 154 . 3 1 1 A 22 22 TYR CA C 22 58.193 56.749 1.444 1
1 155 . 3 1 1 A 22 22 TYR HA H 22 4.627 4.946 -0.319 1
1 156 . 3 1 1 A 22 22 TYR CB C 22 43.318 41.919 1.399 1
1 166 . 3 1 1 A 22 22 TYR C C 22 175.114 176.125 -1.011 1
1 168 . 3 1 1 A 23 23 LYS N N 23 120.476 124.816 -4.340 1
1 169 . 3 1 1 A 23 23 LYS H H 23 9.060 8.952 0.108 1
1 170 . 3 1 1 A 23 23 LYS CA C 23 58.595 58.701 -0.106 1
1 171 . 3 1 1 A 23 23 LYS HA H 23 4.450 4.227 0.223 1
1 172 . 3 1 1 A 23 23 LYS CB C 23 33.830 33.016 0.814 1
1 180 . 3 1 1 A 23 23 LYS C C 23 176.227 176.308 -0.081 1
1 185 . 3 1 1 A 24 24 ARG N N 24 114.342 114.496 -0.154 1
1 186 . 3 1 1 A 24 24 ARG H H 24 7.929 7.673 0.256 1
1 187 . 3 1 1 A 24 24 ARG CA C 24 53.954 54.686 -0.732 1
1 188 . 3 1 1 A 24 24 ARG HA H 24 4.786 4.907 -0.121 1
1 189 . 3 1 1 A 24 24 ARG CB C 24 32.890 33.152 -0.262 1
1 195 . 3 1 1 A 24 24 ARG C C 24 176.136 176.256 -0.120 1
1 199 . 3 1 1 A 25 25 ARG N N 25 127.212 120.786 6.426 1
1 200 . 3 1 1 A 25 25 ARG H H 25 8.379 8.367 0.012 1
1 201 . 3 1 1 A 25 25 ARG CA C 25 58.968 57.839 1.129 1
1 202 . 3 1 1 A 25 25 ARG HA H 25 3.047 3.349 -0.302 1
1 203 . 3 1 1 A 25 25 ARG CB C 25 28.874 29.325 -0.451 1
1 209 . 3 1 1 A 25 25 ARG C C 25 178.039 177.250 0.789 1
1 213 . 3 1 1 A 26 26 LEU N N 26 117.424 121.171 -3.747 1
1 214 . 3 1 1 A 26 26 LEU H H 26 8.321 8.138 0.183 1
1 215 . 3 1 1 A 26 26 LEU CA C 26 57.922 58.213 -0.291 1
1 216 . 3 1 1 A 26 26 LEU HA H 26 4.008 3.997 0.011 1
1 217 . 3 1 1 A 26 26 LEU CB C 26 42.295 41.362 0.933 1
1 229 . 3 1 1 A 26 26 LEU C C 26 178.591 178.132 0.459 1
1 231 . 3 1 1 A 27 27 ASP N N 27 116.153 118.516 -2.363 1
1 232 . 3 1 1 A 27 27 ASP H H 27 6.677 8.168 -1.491 1
1 233 . 3 1 1 A 27 27 ASP CA C 27 56.775 56.871 -0.096 1
1 234 . 3 1 1 A 27 27 ASP HA H 27 4.419 4.340 0.079 1
1 235 . 3 1 1 A 27 27 ASP CB C 27 40.901 40.771 0.130 1
1 237 . 3 1 1 A 27 27 ASP C C 27 178.564 178.483 0.081 1
1 239 . 3 1 1 A 28 28 LEU N N 28 122.965 120.942 2.023 1
1 240 . 3 1 1 A 28 28 LEU H H 28 7.010 7.353 -0.343 1
1 241 . 3 1 1 A 28 28 LEU CA C 28 57.793 57.475 0.318 1
1 242 . 3 1 1 A 28 28 LEU HA H 28 3.620 3.091 0.529 1
1 243 . 3 1 1 A 28 28 LEU CB C 28 40.261 41.160 -0.899 1
1 255 . 3 1 1 A 28 28 LEU C C 28 177.807 178.231 -0.424 1
1 257 . 3 1 1 A 29 29 ASP N N 29 120.296 117.621 2.675 1
1 258 . 3 1 1 A 29 29 ASP H H 29 8.371 8.575 -0.204 1
1 259 . 3 1 1 A 29 29 ASP CA C 29 57.703 57.402 0.301 1
1 260 . 3 1 1 A 29 29 ASP HA H 29 4.299 4.222 0.077 1
1 261 . 3 1 1 A 29 29 ASP CB C 29 39.968 40.562 -0.594 1
1 263 . 3 1 1 A 29 29 ASP C C 29 179.252 178.311 0.941 1
1 265 . 3 1 1 A 30 30 PHE N N 30 118.906 121.731 -2.825 1
1 266 . 3 1 1 A 30 30 PHE H H 30 7.830 7.742 0.088 1
1 267 . 3 1 1 A 30 30 PHE CA C 30 60.984 59.640 1.344 1
1 268 . 3 1 1 A 30 30 PHE HA H 30 4.238 4.131 0.107 1
1 269 . 3 1 1 A 30 30 PHE CB C 30 38.859 39.745 -0.886 1
1 281 . 3 1 1 A 30 30 PHE C C 30 178.386 177.454 0.932 1
1 283 . 3 1 1 A 31 31 HIS N N 31 119.537 118.994 0.543 1
1 284 . 3 1 1 A 31 31 HIS H H 31 7.773 8.227 -0.454 1
1 285 . 3 1 1 A 31 31 HIS CA C 31 58.968 59.792 -0.824 1
1 286 . 3 1 1 A 31 31 HIS HA H 31 4.244 4.276 -0.032 1
1 287 . 3 1 1 A 31 31 HIS CB C 31 28.055 29.852 -1.797 1
1 293 . 3 1 1 A 31 31 HIS C C 31 176.042 177.409 -1.367 1
1 295 . 3 1 1 A 32 32 GLN N N 32 114.850 117.542 -2.692 1
1 296 . 3 1 1 A 32 32 GLN H H 32 8.297 8.112 0.185 1
1 297 . 3 1 1 A 32 32 GLN CA C 32 59.097 58.988 0.109 1
1 298 . 3 1 1 A 32 32 GLN HA H 32 3.694 3.837 -0.143 1
1 299 . 3 1 1 A 32 32 GLN CB C 32 28.158 28.251 -0.093 1
1 306 . 3 1 1 A 32 32 GLN C C 32 177.287 178.696 -1.409 1
1 309 . 3 1 1 A 33 33 ARG N N 33 117.557 120.622 -3.065 1
1 310 . 3 1 1 A 33 33 ARG H H 33 7.132 8.073 -0.941 1
1 311 . 3 1 1 A 33 33 ARG CA C 33 58.358 58.894 -0.536 1
1 312 . 3 1 1 A 33 33 ARG HA H 33 4.101 4.085 0.016 1
1 313 . 3 1 1 A 33 33 ARG CB C 33 29.730 29.655 0.075 1
1 319 . 3 1 1 A 33 33 ARG C C 33 178.499 178.644 -0.145 1
1 323 . 3 1 1 A 34 34 VAL N N 34 116.405 116.985 -0.580 1
1 324 . 3 1 1 A 34 34 VAL H H 34 7.885 7.786 0.099 1
1 325 . 3 1 1 A 34 34 VAL CA C 34 63.968 65.543 -1.575 1
1 326 . 3 1 1 A 34 34 VAL HA H 34 3.874 3.674 0.200 1
1 327 . 3 1 1 A 34 34 VAL CB C 34 31.122 31.252 -0.130 1
1 337 . 3 1 1 A 34 34 VAL C C 34 177.300 178.167 -0.867 1
1 338 . 3 1 1 A 35 35 HIS N N 35 117.405 119.982 -2.577 1
1 339 . 3 1 1 A 35 35 HIS H H 35 7.235 7.381 -0.146 1
1 340 . 3 1 1 A 35 35 HIS CA C 35 55.330 59.445 -4.115 1
1 341 . 3 1 1 A 35 35 HIS HA H 35 4.857 4.255 0.602 1
1 342 . 3 1 1 A 35 35 HIS CB C 35 28.661 30.717 -2.056 1
1 348 . 3 1 1 A 35 35 HIS C C 35 175.854 175.882 -0.028 1
1 350 . 3 1 1 A 36 36 THR N N 36 112.155 106.167 5.988 1
1 351 . 3 1 1 A 36 36 THR H H 36 7.788 7.915 -0.127 1
1 352 . 3 1 1 A 36 36 THR CA C 36 62.772 62.683 0.089 1
1 353 . 3 1 1 A 36 36 THR HA H 36 4.328 4.261 0.067 1
1 354 . 3 1 1 A 36 36 THR CB C 36 69.799 67.948 1.851 1
1 360 . 3 1 1 A 36 36 THR C C 36 175.542 174.969 0.573 1
1 361 . 3 1 1 A 37 37 GLY N N 37 110.545 113.504 -2.959 1
1 362 . 3 1 1 A 37 37 GLY H H 37 8.233 8.637 -0.404 1
1 363 . 3 1 1 A 37 37 GLY CA C 37 45.526 46.641 -1.115 1
1 364 . 3 1 1 A 37 37 GLY HA3 H 37 4.024 3.971 0.053 1
1 365 . 3 1 1 A 37 37 GLY C C 37 174.293 175.017 -0.724 1
1 366 . 3 1 1 A 37 37 GLY HA2 H 37 3.942 3.962 -0.020 1
1 367 . 3 1 1 A 38 38 GLU N N 38 120.757 120.850 -0.093 1
1 368 . 3 1 1 A 38 38 GLU H H 38 8.087 8.070 0.017 1
1 369 . 3 1 1 A 38 38 GLU CA C 38 56.756 58.622 -1.866 1
1 370 . 3 1 1 A 38 38 GLU HA H 38 4.226 4.069 0.157 1
1 371 . 3 1 1 A 38 38 GLU CB C 38 30.420 30.547 -0.127 1
1 375 . 3 1 1 A 38 38 GLU C C 38 176.480 175.669 0.811 1
1 378 . 3 1 1 A 39 39 LYS N N 39 122.154 118.995 3.159 1
1 379 . 3 1 1 A 39 39 LYS H H 39 8.322 7.659 0.663 1
1 380 . 3 1 1 A 39 39 LYS CA C 39 56.239 54.898 1.341 1
1 381 . 3 1 1 A 39 39 LYS HA H 39 4.315 4.853 -0.538 1
1 382 . 3 1 1 A 39 39 LYS CB C 39 32.799 35.922 -3.123 1
1 390 . 3 1 1 A 39 39 LYS C C 39 176.535 174.690 1.845 1
1 395 . 3 1 1 A 40 40 LEU N N 40 123.630 121.322 2.308 1
1 396 . 3 1 1 A 40 40 LEU H H 40 8.299 8.218 0.081 1
1 397 . 3 1 1 A 40 40 LEU CA C 40 55.167 53.259 1.908 1
1 398 . 3 1 1 A 40 40 LEU HA H 40 4.398 4.650 -0.252 1
1 399 . 3 1 1 A 40 40 LEU CB C 40 42.364 43.411 -1.047 1
1 411 . 3 1 1 A 40 40 LEU C C 40 177.392 176.419 0.973 1
1 413 . 3 1 1 A 41 41 SER N N 41 116.506 114.772 1.734 1
1 414 . 3 1 1 A 41 41 SER H H 41 8.307 8.584 -0.277 1
1 415 . 3 1 1 A 41 41 SER CA C 41 58.290 57.689 0.601 1
1 416 . 3 1 1 A 41 41 SER HA H 41 4.449 4.977 -0.528 1
1 417 . 3 1 1 A 41 41 SER CB C 41 64.054 64.047 0.007 1
1 419 . 3 1 1 A 41 41 SER C C 41 174.470 174.295 0.175 1
1 421 . 3 1 1 A 42 42 GLY N N 42 110.630 109.743 0.887 1
1 422 . 3 1 1 A 42 42 GLY H H 42 8.215 8.348 -0.133 1
1 423 . 3 1 1 A 42 42 GLY CA C 42 44.768 46.059 -1.291 1
1 424 . 3 1 1 A 42 42 GLY HA3 H 42 4.145 4.024 0.121 1
1 425 . 3 1 1 A 42 42 GLY C C 42 171.726 174.792 -3.066 1
1 426 . 3 1 1 A 42 42 GLY HA2 H 42 4.145 4.024 0.121 1
1 427 . 3 1 1 A 43 43 PRO CA C 43 63.300 64.709 -1.409 1
1 428 . 3 1 1 A 43 43 PRO HA H 43 4.487 4.344 0.143 1
1 429 . 3 1 1 A 43 43 PRO CB C 43 32.225 32.109 0.116 1
1 435 . 3 1 1 A 43 43 PRO C C 43 177.377 176.002 1.375 1
1 439 . 3 1 1 A 44 44 SER N N 44 116.384 108.486 7.898 1
1 440 . 3 1 1 A 44 44 SER H H 44 8.538 7.675 0.863 1
1 441 . 3 1 1 A 44 44 SER CA C 44 58.396 57.678 0.718 1
1 442 . 3 1 1 A 44 44 SER HA H 44 4.462 4.791 -0.329 1
1 443 . 3 1 1 A 44 44 SER CB C 44 63.785 65.242 -1.457 1
1 445 . 3 1 1 A 44 44 SER C C 44 174.636 172.323 2.313 1
1 447 . 3 1 1 A 45 45 SER N N 45 117.830 116.749 1.081 1
1 448 . 3 1 1 A 45 45 SER H H 45 8.331 8.557 -0.226 1
1 449 . 3 1 1 A 45 45 SER CA C 45 58.388 57.756 0.632 1
1 450 . 3 1 1 A 45 45 SER HA H 45 4.452 5.167 -0.715 1
1 451 . 3 1 1 A 45 45 SER CB C 45 64.109 66.550 -2.441 1
1 453 . 3 1 1 A 45 45 SER C C 45 173.898 173.078 0.820 1
1 4 . 4 1 1 A 9 9 GLY CA C 9 45.254 44.923 0.331 1
1 5 . 4 1 1 A 9 9 GLY HA3 H 9 3.953 3.931 0.022 1
1 6 . 4 1 1 A 9 9 GLY C C 9 174.042 172.248 1.794 1
1 7 . 4 1 1 A 9 9 GLY HA2 H 9 3.953 3.926 0.027 1
1 8 . 4 1 1 A 10 10 GLU N N 10 120.168 116.724 3.444 1
1 9 . 4 1 1 A 10 10 GLU H H 10 8.189 8.577 -0.388 1
1 10 . 4 1 1 A 10 10 GLU CA C 10 56.864 55.274 1.590 1
1 11 . 4 1 1 A 10 10 GLU HA H 10 4.190 5.108 -0.918 1
1 12 . 4 1 1 A 10 10 GLU CB C 10 30.408 31.542 -1.134 1
1 16 . 4 1 1 A 10 10 GLU C C 10 176.310 175.625 0.685 1
1 19 . 4 1 1 A 11 11 LYS N N 11 121.384 123.887 -2.503 1
1 20 . 4 1 1 A 11 11 LYS H H 11 8.303 8.426 -0.123 1
1 21 . 4 1 1 A 11 11 LYS CA C 11 53.617 52.898 0.719 1
1 22 . 4 1 1 A 11 11 LYS HA H 11 4.442 4.808 -0.366 1
1 23 . 4 1 1 A 11 11 LYS CB C 11 32.516 34.172 -1.656 1
1 31 . 4 1 1 A 11 11 LYS C C 11 174.008 176.035 -2.027 1
1 36 . 4 1 1 A 12 12 PRO CA C 12 63.810 64.768 -0.958 1
1 37 . 4 1 1 A 12 12 PRO HA H 12 4.209 4.291 -0.082 1
1 38 . 4 1 1 A 12 12 PRO CB C 12 32.136 31.616 0.520 1
1 44 . 4 1 1 A 12 12 PRO C C 12 176.465 175.847 0.618 1
1 48 . 4 1 1 A 13 13 TYR N N 13 118.430 118.311 0.119 1
1 49 . 4 1 1 A 13 13 TYR H H 13 7.828 7.682 0.146 1
1 50 . 4 1 1 A 13 13 TYR CA C 13 57.575 57.800 -0.225 1
1 51 . 4 1 1 A 13 13 TYR HA H 13 4.633 5.020 -0.387 1
1 52 . 4 1 1 A 13 13 TYR CB C 13 38.137 40.581 -2.444 1
1 62 . 4 1 1 A 13 13 TYR C C 13 174.444 175.420 -0.976 1
1 64 . 4 1 1 A 14 14 LYS N N 14 124.304 121.209 3.095 1
1 65 . 4 1 1 A 14 14 LYS H H 14 8.454 8.949 -0.495 1
1 66 . 4 1 1 A 14 14 LYS CA C 14 54.800 54.213 0.587 1
1 67 . 4 1 1 A 14 14 LYS HA H 14 5.039 5.210 -0.171 1
1 68 . 4 1 1 A 14 14 LYS CB C 14 35.164 36.503 -1.339 1
1 76 . 4 1 1 A 14 14 LYS C C 14 175.455 175.259 0.196 1
1 81 . 4 1 1 A 15 15 CYS N N 15 126.669 122.816 3.853 1
1 82 . 4 1 1 A 15 15 CYS H H 15 9.138 8.861 0.277 1
1 83 . 4 1 1 A 15 15 CYS CA C 15 59.488 59.644 -0.156 1
1 84 . 4 1 1 A 15 15 CYS HA H 15 4.611 4.674 -0.063 1
1 85 . 4 1 1 A 15 15 CYS CB C 15 29.705 28.625 1.080 1
1 87 . 4 1 1 A 15 15 CYS C C 15 177.944 174.981 2.963 1
1 89 . 4 1 1 A 16 16 VAL N N 16 130.449 124.466 5.983 1
1 90 . 4 1 1 A 16 16 VAL H H 16 9.093 8.588 0.505 1
1 91 . 4 1 1 A 16 16 VAL CA C 16 64.724 63.636 1.088 1
1 92 . 4 1 1 A 16 16 VAL HA H 16 3.962 4.191 -0.229 1
1 93 . 4 1 1 A 16 16 VAL CB C 16 31.834 32.886 -1.052 1
1 103 . 4 1 1 A 16 16 VAL C C 16 176.285 177.404 -1.119 1
1 104 . 4 1 1 A 17 17 GLU N N 17 121.787 120.777 1.010 1
1 105 . 4 1 1 A 17 17 GLU H H 17 8.559 7.690 0.869 1
1 106 . 4 1 1 A 17 17 GLU CA C 17 58.471 58.818 -0.347 1
1 107 . 4 1 1 A 17 17 GLU HA H 17 4.214 3.952 0.262 1
1 108 . 4 1 1 A 17 17 GLU CB C 17 29.377 29.355 0.022 1
1 112 . 4 1 1 A 17 17 GLU C C 17 177.492 178.108 -0.616 1
1 115 . 4 1 1 A 18 18 CYS N N 18 114.939 114.835 0.104 1
1 116 . 4 1 1 A 18 18 CYS H H 18 8.082 7.978 0.104 1
1 117 . 4 1 1 A 18 18 CYS CA C 18 58.471 59.590 -1.119 1
1 118 . 4 1 1 A 18 18 CYS HA H 18 5.192 4.655 0.537 1
1 119 . 4 1 1 A 18 18 CYS CB C 18 32.509 29.881 2.628 1
1 121 . 4 1 1 A 18 18 CYS C C 18 176.460 175.532 0.928 1
1 123 . 4 1 1 A 19 19 GLY N N 19 113.538 110.408 3.130 1
1 124 . 4 1 1 A 19 19 GLY H H 19 8.196 8.213 -0.017 1
1 125 . 4 1 1 A 19 19 GLY CA C 19 46.242 45.416 0.826 1
1 126 . 4 1 1 A 19 19 GLY HA3 H 19 4.259 4.004 0.255 1
1 127 . 4 1 1 A 19 19 GLY C C 19 173.676 174.759 -1.083 1
1 128 . 4 1 1 A 19 19 GLY HA2 H 19 3.798 3.992 -0.194 1
1 129 . 4 1 1 A 20 20 LYS N N 20 123.263 120.134 3.129 1
1 130 . 4 1 1 A 20 20 LYS H H 20 7.926 7.390 0.536 1
1 131 . 4 1 1 A 20 20 LYS CA C 20 58.523 56.716 1.807 1
1 132 . 4 1 1 A 20 20 LYS HA H 20 3.981 4.347 -0.366 1
1 133 . 4 1 1 A 20 20 LYS CB C 20 33.810 34.295 -0.485 1
1 141 . 4 1 1 A 20 20 LYS C C 20 175.052 175.558 -0.506 1
1 146 . 4 1 1 A 21 21 GLY N N 21 108.411 107.884 0.527 1
1 147 . 4 1 1 A 21 21 GLY H H 21 7.976 8.290 -0.314 1
1 148 . 4 1 1 A 21 21 GLY CA C 21 44.194 44.302 -0.108 1
1 149 . 4 1 1 A 21 21 GLY HA3 H 21 4.999 4.427 0.572 1
1 150 . 4 1 1 A 21 21 GLY C C 21 172.339 171.410 0.929 1
1 151 . 4 1 1 A 21 21 GLY HA2 H 21 3.313 4.320 -1.007 1
1 152 . 4 1 1 A 22 22 TYR N N 22 118.701 123.371 -4.670 1
1 153 . 4 1 1 A 22 22 TYR H H 22 8.712 9.115 -0.403 1
1 154 . 4 1 1 A 22 22 TYR CA C 22 58.193 56.270 1.923 1
1 155 . 4 1 1 A 22 22 TYR HA H 22 4.627 5.074 -0.447 1
1 156 . 4 1 1 A 22 22 TYR CB C 22 43.318 41.630 1.688 1
1 166 . 4 1 1 A 22 22 TYR C C 22 175.114 176.196 -1.082 1
1 168 . 4 1 1 A 23 23 LYS N N 23 120.476 123.894 -3.418 1
1 169 . 4 1 1 A 23 23 LYS H H 23 9.060 8.762 0.298 1
1 170 . 4 1 1 A 23 23 LYS CA C 23 58.595 59.109 -0.514 1
1 171 . 4 1 1 A 23 23 LYS HA H 23 4.450 4.239 0.211 1
1 172 . 4 1 1 A 23 23 LYS CB C 23 33.830 32.535 1.295 1
1 180 . 4 1 1 A 23 23 LYS C C 23 176.227 177.389 -1.162 1
1 185 . 4 1 1 A 24 24 ARG N N 24 114.342 120.300 -5.958 1
1 186 . 4 1 1 A 24 24 ARG H H 24 7.929 7.886 0.043 1
1 187 . 4 1 1 A 24 24 ARG CA C 24 53.954 55.206 -1.252 1
1 188 . 4 1 1 A 24 24 ARG HA H 24 4.786 4.614 0.172 1
1 189 . 4 1 1 A 24 24 ARG CB C 24 32.890 31.004 1.886 1
1 195 . 4 1 1 A 24 24 ARG C C 24 176.136 176.029 0.107 1
1 199 . 4 1 1 A 25 25 ARG N N 25 127.212 126.789 0.423 1
1 200 . 4 1 1 A 25 25 ARG H H 25 8.379 8.019 0.360 1
1 201 . 4 1 1 A 25 25 ARG CA C 25 58.968 59.056 -0.088 1
1 202 . 4 1 1 A 25 25 ARG HA H 25 3.047 3.454 -0.407 1
1 203 . 4 1 1 A 25 25 ARG CB C 25 28.874 29.268 -0.394 1
1 209 . 4 1 1 A 25 25 ARG C C 25 178.039 177.827 0.212 1
1 213 . 4 1 1 A 26 26 LEU N N 26 117.424 120.695 -3.271 1
1 214 . 4 1 1 A 26 26 LEU H H 26 8.321 8.000 0.321 1
1 215 . 4 1 1 A 26 26 LEU CA C 26 57.922 57.931 -0.009 1
1 216 . 4 1 1 A 26 26 LEU HA H 26 4.008 3.990 0.018 1
1 217 . 4 1 1 A 26 26 LEU CB C 26 42.295 41.201 1.094 1
1 229 . 4 1 1 A 26 26 LEU C C 26 178.591 178.064 0.527 1
1 231 . 4 1 1 A 27 27 ASP N N 27 116.153 118.599 -2.446 1
1 232 . 4 1 1 A 27 27 ASP H H 27 6.677 8.434 -1.757 1
1 233 . 4 1 1 A 27 27 ASP CA C 27 56.775 57.198 -0.423 1
1 234 . 4 1 1 A 27 27 ASP HA H 27 4.419 4.516 -0.097 1
1 235 . 4 1 1 A 27 27 ASP CB C 27 40.901 40.823 0.078 1
1 237 . 4 1 1 A 27 27 ASP C C 27 178.564 178.538 0.026 1
1 239 . 4 1 1 A 28 28 LEU N N 28 122.965 120.511 2.454 1
1 240 . 4 1 1 A 28 28 LEU H H 28 7.010 7.509 -0.499 1
1 241 . 4 1 1 A 28 28 LEU CA C 28 57.793 57.580 0.213 1
1 242 . 4 1 1 A 28 28 LEU HA H 28 3.620 3.356 0.264 1
1 243 . 4 1 1 A 28 28 LEU CB C 28 40.261 41.664 -1.403 1
1 255 . 4 1 1 A 28 28 LEU C C 28 177.807 177.814 -0.007 1
1 257 . 4 1 1 A 29 29 ASP N N 29 120.296 118.967 1.329 1
1 258 . 4 1 1 A 29 29 ASP H H 29 8.371 8.389 -0.018 1
1 259 . 4 1 1 A 29 29 ASP CA C 29 57.703 57.126 0.577 1
1 260 . 4 1 1 A 29 29 ASP HA H 29 4.299 4.288 0.011 1
1 261 . 4 1 1 A 29 29 ASP CB C 29 39.968 41.555 -1.587 1
1 263 . 4 1 1 A 29 29 ASP C C 29 179.252 178.232 1.020 1
1 265 . 4 1 1 A 30 30 PHE N N 30 118.906 119.727 -0.821 1
1 266 . 4 1 1 A 30 30 PHE H H 30 7.830 7.510 0.320 1
1 267 . 4 1 1 A 30 30 PHE CA C 30 60.984 59.883 1.101 1
1 268 . 4 1 1 A 30 30 PHE HA H 30 4.238 4.140 0.098 1
1 269 . 4 1 1 A 30 30 PHE CB C 30 38.859 39.599 -0.740 1
1 281 . 4 1 1 A 30 30 PHE C C 30 178.386 177.438 0.948 1
1 283 . 4 1 1 A 31 31 HIS N N 31 119.537 118.759 0.778 1
1 284 . 4 1 1 A 31 31 HIS H H 31 7.773 8.460 -0.687 1
1 285 . 4 1 1 A 31 31 HIS CA C 31 58.968 59.711 -0.743 1
1 286 . 4 1 1 A 31 31 HIS HA H 31 4.244 4.250 -0.006 1
1 287 . 4 1 1 A 31 31 HIS CB C 31 28.055 29.771 -1.716 1
1 293 . 4 1 1 A 31 31 HIS C C 31 176.042 177.392 -1.350 1
1 295 . 4 1 1 A 32 32 GLN N N 32 114.850 117.493 -2.643 1
1 296 . 4 1 1 A 32 32 GLN H H 32 8.297 8.154 0.143 1
1 297 . 4 1 1 A 32 32 GLN CA C 32 59.097 58.801 0.296 1
1 298 . 4 1 1 A 32 32 GLN HA H 32 3.694 3.831 -0.137 1
1 299 . 4 1 1 A 32 32 GLN CB C 32 28.158 28.247 -0.089 1
1 306 . 4 1 1 A 32 32 GLN C C 32 177.287 178.636 -1.349 1
1 309 . 4 1 1 A 33 33 ARG N N 33 117.557 120.276 -2.719 1
1 310 . 4 1 1 A 33 33 ARG H H 33 7.132 8.156 -1.024 1
1 311 . 4 1 1 A 33 33 ARG CA C 33 58.358 58.931 -0.573 1
1 312 . 4 1 1 A 33 33 ARG HA H 33 4.101 4.186 -0.085 1
1 313 . 4 1 1 A 33 33 ARG CB C 33 29.730 29.634 0.096 1
1 319 . 4 1 1 A 33 33 ARG C C 33 178.499 178.828 -0.329 1
1 323 . 4 1 1 A 34 34 VAL N N 34 116.405 116.133 0.272 1
1 324 . 4 1 1 A 34 34 VAL H H 34 7.885 7.773 0.112 1
1 325 . 4 1 1 A 34 34 VAL CA C 34 63.968 65.164 -1.196 1
1 326 . 4 1 1 A 34 34 VAL HA H 34 3.874 3.793 0.081 1
1 327 . 4 1 1 A 34 34 VAL CB C 34 31.122 31.192 -0.070 1
1 337 . 4 1 1 A 34 34 VAL C C 34 177.300 177.124 0.176 1
1 338 . 4 1 1 A 35 35 HIS N N 35 117.405 119.662 -2.257 1
1 339 . 4 1 1 A 35 35 HIS H H 35 7.235 7.583 -0.348 1
1 340 . 4 1 1 A 35 35 HIS CA C 35 55.330 57.973 -2.643 1
1 341 . 4 1 1 A 35 35 HIS HA H 35 4.857 4.435 0.422 1
1 342 . 4 1 1 A 35 35 HIS CB C 35 28.661 31.088 -2.427 1
1 348 . 4 1 1 A 35 35 HIS C C 35 175.854 176.221 -0.367 1
1 350 . 4 1 1 A 36 36 THR N N 36 112.155 108.352 3.803 1
1 351 . 4 1 1 A 36 36 THR H H 36 7.788 7.787 0.001 1
1 352 . 4 1 1 A 36 36 THR CA C 36 62.772 61.245 1.527 1
1 353 . 4 1 1 A 36 36 THR HA H 36 4.328 4.255 0.073 1
1 354 . 4 1 1 A 36 36 THR CB C 36 69.799 68.243 1.556 1
1 360 . 4 1 1 A 36 36 THR C C 36 175.542 174.226 1.316 1
1 361 . 4 1 1 A 37 37 GLY N N 37 110.545 109.334 1.211 1
1 362 . 4 1 1 A 37 37 GLY H H 37 8.233 7.952 0.281 1
1 363 . 4 1 1 A 37 37 GLY CA C 37 45.526 45.754 -0.228 1
1 364 . 4 1 1 A 37 37 GLY HA3 H 37 4.024 4.148 -0.124 1
1 365 . 4 1 1 A 37 37 GLY C C 37 174.293 173.988 0.305 1
1 366 . 4 1 1 A 37 37 GLY HA2 H 37 3.942 4.141 -0.199 1
1 367 . 4 1 1 A 38 38 GLU N N 38 120.757 124.651 -3.894 1
1 368 . 4 1 1 A 38 38 GLU H H 38 8.087 8.992 -0.905 1
1 369 . 4 1 1 A 38 38 GLU CA C 38 56.756 57.377 -0.621 1
1 370 . 4 1 1 A 38 38 GLU HA H 38 4.226 3.967 0.259 1
1 371 . 4 1 1 A 38 38 GLU CB C 38 30.420 28.349 2.071 1
1 375 . 4 1 1 A 38 38 GLU C C 38 176.480 175.847 0.633 1
1 378 . 4 1 1 A 39 39 LYS N N 39 122.154 120.627 1.527 1
1 379 . 4 1 1 A 39 39 LYS H H 39 8.322 7.743 0.579 1
1 380 . 4 1 1 A 39 39 LYS CA C 39 56.239 54.706 1.533 1
1 381 . 4 1 1 A 39 39 LYS HA H 39 4.315 4.674 -0.359 1
1 382 . 4 1 1 A 39 39 LYS CB C 39 32.799 34.562 -1.763 1
1 390 . 4 1 1 A 39 39 LYS C C 39 176.535 176.984 -0.449 1
1 395 . 4 1 1 A 40 40 LEU N N 40 123.630 124.083 -0.453 1
1 396 . 4 1 1 A 40 40 LEU H H 40 8.299 8.589 -0.290 1
1 397 . 4 1 1 A 40 40 LEU CA C 40 55.167 57.944 -2.777 1
1 398 . 4 1 1 A 40 40 LEU HA H 40 4.398 4.017 0.381 1
1 399 . 4 1 1 A 40 40 LEU CB C 40 42.364 41.714 0.650 1
1 411 . 4 1 1 A 40 40 LEU C C 40 177.392 176.633 0.759 1
1 413 . 4 1 1 A 41 41 SER N N 41 116.506 116.547 -0.041 1
1 414 . 4 1 1 A 41 41 SER H H 41 8.307 7.811 0.496 1
1 415 . 4 1 1 A 41 41 SER CA C 41 58.290 56.852 1.438 1
1 416 . 4 1 1 A 41 41 SER HA H 41 4.449 4.759 -0.310 1
1 417 . 4 1 1 A 41 41 SER CB C 41 64.054 65.515 -1.461 1
1 419 . 4 1 1 A 41 41 SER C C 41 174.470 173.642 0.828 1
1 421 . 4 1 1 A 42 42 GLY N N 42 110.630 111.839 -1.209 1
1 422 . 4 1 1 A 42 42 GLY H H 42 8.215 8.414 -0.199 1
1 423 . 4 1 1 A 42 42 GLY CA C 42 44.768 45.335 -0.567 1
1 424 . 4 1 1 A 42 42 GLY HA3 H 42 4.145 4.190 -0.045 1
1 425 . 4 1 1 A 42 42 GLY C C 42 171.726 174.185 -2.459 1
1 426 . 4 1 1 A 42 42 GLY HA2 H 42 4.145 4.187 -0.042 1
1 427 . 4 1 1 A 43 43 PRO CA C 43 63.300 63.436 -0.136 1
1 428 . 4 1 1 A 43 43 PRO HA H 43 4.487 4.574 -0.087 1
1 429 . 4 1 1 A 43 43 PRO CB C 43 32.225 31.983 0.242 1
1 435 . 4 1 1 A 43 43 PRO C C 43 177.377 176.842 0.535 1
1 439 . 4 1 1 A 44 44 SER N N 44 116.384 113.774 2.610 1
1 440 . 4 1 1 A 44 44 SER H H 44 8.538 7.647 0.891 1
1 441 . 4 1 1 A 44 44 SER CA C 44 58.396 59.205 -0.809 1
1 442 . 4 1 1 A 44 44 SER HA H 44 4.462 4.356 0.106 1
1 443 . 4 1 1 A 44 44 SER CB C 44 63.785 63.517 0.268 1
1 445 . 4 1 1 A 44 44 SER C C 44 174.636 174.655 -0.019 1
1 447 . 4 1 1 A 45 45 SER N N 45 117.830 117.379 0.451 1
1 448 . 4 1 1 A 45 45 SER H H 45 8.331 8.398 -0.067 1
1 449 . 4 1 1 A 45 45 SER CA C 45 58.388 56.572 1.816 1
1 450 . 4 1 1 A 45 45 SER HA H 45 4.452 4.940 -0.488 1
1 451 . 4 1 1 A 45 45 SER CB C 45 64.109 66.608 -2.499 1
1 453 . 4 1 1 A 45 45 SER C C 45 173.898 174.798 -0.900 1
1 4 . 5 1 1 A 9 9 GLY CA C 9 45.254 44.950 0.304 1
1 5 . 5 1 1 A 9 9 GLY HA3 H 9 3.953 4.039 -0.086 1
1 6 . 5 1 1 A 9 9 GLY C C 9 174.042 173.501 0.541 1
1 7 . 5 1 1 A 9 9 GLY HA2 H 9 3.953 4.038 -0.085 1
1 8 . 5 1 1 A 10 10 GLU N N 10 120.168 118.343 1.825 1
1 9 . 5 1 1 A 10 10 GLU H H 10 8.189 8.348 -0.159 1
1 10 . 5 1 1 A 10 10 GLU CA C 10 56.864 55.666 1.198 1
1 11 . 5 1 1 A 10 10 GLU HA H 10 4.190 4.998 -0.808 1
1 12 . 5 1 1 A 10 10 GLU CB C 10 30.408 31.081 -0.673 1
1 16 . 5 1 1 A 10 10 GLU C C 10 176.310 175.720 0.590 1
1 19 . 5 1 1 A 11 11 LYS N N 11 121.384 123.104 -1.720 1
1 20 . 5 1 1 A 11 11 LYS H H 11 8.303 8.962 -0.659 1
1 21 . 5 1 1 A 11 11 LYS CA C 11 53.617 53.611 0.006 1
1 22 . 5 1 1 A 11 11 LYS HA H 11 4.442 4.668 -0.226 1
1 23 . 5 1 1 A 11 11 LYS CB C 11 32.516 32.356 0.160 1
1 31 . 5 1 1 A 11 11 LYS C C 11 174.008 176.489 -2.481 1
1 36 . 5 1 1 A 12 12 PRO CA C 12 63.810 64.987 -1.177 1
1 37 . 5 1 1 A 12 12 PRO HA H 12 4.209 4.257 -0.048 1
1 38 . 5 1 1 A 12 12 PRO CB C 12 32.136 31.495 0.641 1
1 44 . 5 1 1 A 12 12 PRO C C 12 176.465 175.880 0.585 1
1 48 . 5 1 1 A 13 13 TYR N N 13 118.430 118.176 0.254 1
1 49 . 5 1 1 A 13 13 TYR H H 13 7.828 7.685 0.143 1
1 50 . 5 1 1 A 13 13 TYR CA C 13 57.575 57.585 -0.010 1
1 51 . 5 1 1 A 13 13 TYR HA H 13 4.633 4.973 -0.340 1
1 52 . 5 1 1 A 13 13 TYR CB C 13 38.137 40.707 -2.570 1
1 62 . 5 1 1 A 13 13 TYR C C 13 174.444 175.601 -1.157 1
1 64 . 5 1 1 A 14 14 LYS N N 14 124.304 121.232 3.072 1
1 65 . 5 1 1 A 14 14 LYS H H 14 8.454 8.954 -0.500 1
1 66 . 5 1 1 A 14 14 LYS CA C 14 54.800 54.259 0.541 1
1 67 . 5 1 1 A 14 14 LYS HA H 14 5.039 5.390 -0.351 1
1 68 . 5 1 1 A 14 14 LYS CB C 14 35.164 36.144 -0.980 1
1 76 . 5 1 1 A 14 14 LYS C C 14 175.455 175.406 0.049 1
1 81 . 5 1 1 A 15 15 CYS N N 15 126.669 123.949 2.720 1
1 82 . 5 1 1 A 15 15 CYS H H 15 9.138 9.624 -0.486 1
1 83 . 5 1 1 A 15 15 CYS CA C 15 59.488 59.823 -0.335 1
1 84 . 5 1 1 A 15 15 CYS HA H 15 4.611 4.593 0.018 1
1 85 . 5 1 1 A 15 15 CYS CB C 15 29.705 28.674 1.031 1
1 87 . 5 1 1 A 15 15 CYS C C 15 177.944 175.126 2.818 1
1 89 . 5 1 1 A 16 16 VAL N N 16 130.449 124.832 5.617 1
1 90 . 5 1 1 A 16 16 VAL H H 16 9.093 8.692 0.401 1
1 91 . 5 1 1 A 16 16 VAL CA C 16 64.724 63.508 1.216 1
1 92 . 5 1 1 A 16 16 VAL HA H 16 3.962 4.172 -0.210 1
1 93 . 5 1 1 A 16 16 VAL CB C 16 31.834 32.848 -1.014 1
1 103 . 5 1 1 A 16 16 VAL C C 16 176.285 177.447 -1.162 1
1 104 . 5 1 1 A 17 17 GLU N N 17 121.787 120.540 1.247 1
1 105 . 5 1 1 A 17 17 GLU H H 17 8.559 7.726 0.833 1
1 106 . 5 1 1 A 17 17 GLU CA C 17 58.471 58.653 -0.182 1
1 107 . 5 1 1 A 17 17 GLU HA H 17 4.214 3.961 0.253 1
1 108 . 5 1 1 A 17 17 GLU CB C 17 29.377 29.469 -0.092 1
1 112 . 5 1 1 A 17 17 GLU C C 17 177.492 177.788 -0.296 1
1 115 . 5 1 1 A 18 18 CYS N N 18 114.939 115.153 -0.214 1
1 116 . 5 1 1 A 18 18 CYS H H 18 8.082 8.018 0.064 1
1 117 . 5 1 1 A 18 18 CYS CA C 18 58.471 59.540 -1.069 1
1 118 . 5 1 1 A 18 18 CYS HA H 18 5.192 4.644 0.548 1
1 119 . 5 1 1 A 18 18 CYS CB C 18 32.509 29.863 2.646 1
1 121 . 5 1 1 A 18 18 CYS C C 18 176.460 175.621 0.839 1
1 123 . 5 1 1 A 19 19 GLY N N 19 113.538 110.515 3.023 1
1 124 . 5 1 1 A 19 19 GLY H H 19 8.196 8.273 -0.077 1
1 125 . 5 1 1 A 19 19 GLY CA C 19 46.242 45.542 0.700 1
1 126 . 5 1 1 A 19 19 GLY HA3 H 19 4.259 4.036 0.223 1
1 127 . 5 1 1 A 19 19 GLY C C 19 173.676 174.327 -0.651 1
1 128 . 5 1 1 A 19 19 GLY HA2 H 19 3.798 4.022 -0.224 1
1 129 . 5 1 1 A 20 20 LYS N N 20 123.263 119.637 3.626 1
1 130 . 5 1 1 A 20 20 LYS H H 20 7.926 7.698 0.228 1
1 131 . 5 1 1 A 20 20 LYS CA C 20 58.523 55.258 3.265 1
1 132 . 5 1 1 A 20 20 LYS HA H 20 3.981 4.476 -0.495 1
1 133 . 5 1 1 A 20 20 LYS CB C 20 33.810 33.827 -0.017 1
1 141 . 5 1 1 A 20 20 LYS C C 20 175.052 176.084 -1.032 1
1 146 . 5 1 1 A 21 21 GLY N N 21 108.411 109.584 -1.173 1
1 147 . 5 1 1 A 21 21 GLY H H 21 7.976 8.657 -0.681 1
1 148 . 5 1 1 A 21 21 GLY CA C 21 44.194 44.533 -0.339 1
1 149 . 5 1 1 A 21 21 GLY HA3 H 21 4.999 4.327 0.672 1
1 150 . 5 1 1 A 21 21 GLY C C 21 172.339 171.799 0.540 1
1 151 . 5 1 1 A 21 21 GLY HA2 H 21 3.313 4.217 -0.904 1
1 152 . 5 1 1 A 22 22 TYR N N 22 118.701 123.032 -4.331 1
1 153 . 5 1 1 A 22 22 TYR H H 22 8.712 9.091 -0.379 1
1 154 . 5 1 1 A 22 22 TYR CA C 22 58.193 57.094 1.099 1
1 155 . 5 1 1 A 22 22 TYR HA H 22 4.627 5.032 -0.405 1
1 156 . 5 1 1 A 22 22 TYR CB C 22 43.318 41.101 2.217 1
1 166 . 5 1 1 A 22 22 TYR C C 22 175.114 176.203 -1.089 1
1 168 . 5 1 1 A 23 23 LYS N N 23 120.476 126.374 -5.898 1
1 169 . 5 1 1 A 23 23 LYS H H 23 9.060 8.956 0.104 1
1 170 . 5 1 1 A 23 23 LYS CA C 23 58.595 59.672 -1.077 1
1 171 . 5 1 1 A 23 23 LYS HA H 23 4.450 4.098 0.352 1
1 172 . 5 1 1 A 23 23 LYS CB C 23 33.830 32.406 1.424 1
1 180 . 5 1 1 A 23 23 LYS C C 23 176.227 176.080 0.147 1
1 185 . 5 1 1 A 24 24 ARG N N 24 114.342 118.979 -4.637 1
1 186 . 5 1 1 A 24 24 ARG H H 24 7.929 7.902 0.027 1
1 187 . 5 1 1 A 24 24 ARG CA C 24 53.954 54.477 -0.523 1
1 188 . 5 1 1 A 24 24 ARG HA H 24 4.786 4.923 -0.137 1
1 189 . 5 1 1 A 24 24 ARG CB C 24 32.890 33.324 -0.434 1
1 195 . 5 1 1 A 24 24 ARG C C 24 176.136 176.170 -0.034 1
1 199 . 5 1 1 A 25 25 ARG N N 25 127.212 125.552 1.660 1
1 200 . 5 1 1 A 25 25 ARG H H 25 8.379 8.663 -0.284 1
1 201 . 5 1 1 A 25 25 ARG CA C 25 58.968 58.160 0.808 1
1 202 . 5 1 1 A 25 25 ARG HA H 25 3.047 3.309 -0.262 1
1 203 . 5 1 1 A 25 25 ARG CB C 25 28.874 29.176 -0.302 1
1 209 . 5 1 1 A 25 25 ARG C C 25 178.039 177.282 0.757 1
1 213 . 5 1 1 A 26 26 LEU N N 26 117.424 120.976 -3.552 1
1 214 . 5 1 1 A 26 26 LEU H H 26 8.321 8.103 0.218 1
1 215 . 5 1 1 A 26 26 LEU CA C 26 57.922 57.757 0.165 1
1 216 . 5 1 1 A 26 26 LEU HA H 26 4.008 4.025 -0.017 1
1 217 . 5 1 1 A 26 26 LEU CB C 26 42.295 41.379 0.916 1
1 229 . 5 1 1 A 26 26 LEU C C 26 178.591 178.055 0.536 1
1 231 . 5 1 1 A 27 27 ASP N N 27 116.153 118.963 -2.810 1
1 232 . 5 1 1 A 27 27 ASP H H 27 6.677 8.076 -1.399 1
1 233 . 5 1 1 A 27 27 ASP CA C 27 56.775 56.983 -0.208 1
1 234 . 5 1 1 A 27 27 ASP HA H 27 4.419 4.495 -0.076 1
1 235 . 5 1 1 A 27 27 ASP CB C 27 40.901 40.890 0.011 1
1 237 . 5 1 1 A 27 27 ASP C C 27 178.564 178.701 -0.137 1
1 239 . 5 1 1 A 28 28 LEU N N 28 122.965 121.136 1.829 1
1 240 . 5 1 1 A 28 28 LEU H H 28 7.010 7.610 -0.600 1
1 241 . 5 1 1 A 28 28 LEU CA C 28 57.793 57.941 -0.148 1
1 242 . 5 1 1 A 28 28 LEU HA H 28 3.620 3.117 0.503 1
1 243 . 5 1 1 A 28 28 LEU CB C 28 40.261 41.461 -1.200 1
1 255 . 5 1 1 A 28 28 LEU C C 28 177.807 177.713 0.094 1
1 257 . 5 1 1 A 29 29 ASP N N 29 120.296 118.823 1.473 1
1 258 . 5 1 1 A 29 29 ASP H H 29 8.371 8.425 -0.054 1
1 259 . 5 1 1 A 29 29 ASP CA C 29 57.703 57.056 0.647 1
1 260 . 5 1 1 A 29 29 ASP HA H 29 4.299 4.258 0.041 1
1 261 . 5 1 1 A 29 29 ASP CB C 29 39.968 40.814 -0.846 1
1 263 . 5 1 1 A 29 29 ASP C C 29 179.252 178.086 1.166 1
1 265 . 5 1 1 A 30 30 PHE N N 30 118.906 119.618 -0.712 1
1 266 . 5 1 1 A 30 30 PHE H H 30 7.830 7.604 0.226 1
1 267 . 5 1 1 A 30 30 PHE CA C 30 60.984 60.267 0.717 1
1 268 . 5 1 1 A 30 30 PHE HA H 30 4.238 4.176 0.062 1
1 269 . 5 1 1 A 30 30 PHE CB C 30 38.859 39.626 -0.767 1
1 281 . 5 1 1 A 30 30 PHE C C 30 178.386 177.493 0.893 1
1 283 . 5 1 1 A 31 31 HIS N N 31 119.537 118.589 0.948 1
1 284 . 5 1 1 A 31 31 HIS H H 31 7.773 8.567 -0.794 1
1 285 . 5 1 1 A 31 31 HIS CA C 31 58.968 60.015 -1.047 1
1 286 . 5 1 1 A 31 31 HIS HA H 31 4.244 4.312 -0.068 1
1 287 . 5 1 1 A 31 31 HIS CB C 31 28.055 29.368 -1.313 1
1 293 . 5 1 1 A 31 31 HIS C C 31 176.042 177.386 -1.344 1
1 295 . 5 1 1 A 32 32 GLN N N 32 114.850 117.537 -2.687 1
1 296 . 5 1 1 A 32 32 GLN H H 32 8.297 8.072 0.225 1
1 297 . 5 1 1 A 32 32 GLN CA C 32 59.097 58.890 0.207 1
1 298 . 5 1 1 A 32 32 GLN HA H 32 3.694 3.835 -0.141 1
1 299 . 5 1 1 A 32 32 GLN CB C 32 28.158 28.224 -0.066 1
1 306 . 5 1 1 A 32 32 GLN C C 32 177.287 178.641 -1.354 1
1 309 . 5 1 1 A 33 33 ARG N N 33 117.557 120.158 -2.601 1
1 310 . 5 1 1 A 33 33 ARG H H 33 7.132 7.828 -0.696 1
1 311 . 5 1 1 A 33 33 ARG CA C 33 58.358 59.025 -0.667 1
1 312 . 5 1 1 A 33 33 ARG HA H 33 4.101 4.207 -0.106 1
1 313 . 5 1 1 A 33 33 ARG CB C 33 29.730 29.662 0.068 1
1 319 . 5 1 1 A 33 33 ARG C C 33 178.499 178.862 -0.363 1
1 323 . 5 1 1 A 34 34 VAL N N 34 116.405 116.160 0.245 1
1 324 . 5 1 1 A 34 34 VAL H H 34 7.885 7.808 0.077 1
1 325 . 5 1 1 A 34 34 VAL CA C 34 63.968 65.189 -1.221 1
1 326 . 5 1 1 A 34 34 VAL HA H 34 3.874 3.806 0.068 1
1 327 . 5 1 1 A 34 34 VAL CB C 34 31.122 31.194 -0.072 1
1 337 . 5 1 1 A 34 34 VAL C C 34 177.300 177.198 0.102 1
1 338 . 5 1 1 A 35 35 HIS N N 35 117.405 120.185 -2.780 1
1 339 . 5 1 1 A 35 35 HIS H H 35 7.235 7.624 -0.389 1
1 340 . 5 1 1 A 35 35 HIS CA C 35 55.330 58.542 -3.212 1
1 341 . 5 1 1 A 35 35 HIS HA H 35 4.857 4.423 0.434 1
1 342 . 5 1 1 A 35 35 HIS CB C 35 28.661 30.869 -2.208 1
1 348 . 5 1 1 A 35 35 HIS C C 35 175.854 177.747 -1.893 1
1 350 . 5 1 1 A 36 36 THR N N 36 112.155 110.424 1.731 1
1 351 . 5 1 1 A 36 36 THR H H 36 7.788 7.793 -0.005 1
1 352 . 5 1 1 A 36 36 THR CA C 36 62.772 62.798 -0.026 1
1 353 . 5 1 1 A 36 36 THR HA H 36 4.328 4.145 0.183 1
1 354 . 5 1 1 A 36 36 THR CB C 36 69.799 70.353 -0.554 1
1 360 . 5 1 1 A 36 36 THR C C 36 175.542 174.712 0.830 1
1 361 . 5 1 1 A 37 37 GLY N N 37 110.545 111.301 -0.756 1
1 362 . 5 1 1 A 37 37 GLY H H 37 8.233 8.302 -0.069 1
1 363 . 5 1 1 A 37 37 GLY CA C 37 45.526 47.398 -1.872 1
1 364 . 5 1 1 A 37 37 GLY HA3 H 37 4.024 3.824 0.200 1
1 365 . 5 1 1 A 37 37 GLY C C 37 174.293 174.015 0.278 1
1 366 . 5 1 1 A 37 37 GLY HA2 H 37 3.942 3.815 0.127 1
1 367 . 5 1 1 A 38 38 GLU N N 38 120.757 125.971 -5.214 1
1 368 . 5 1 1 A 38 38 GLU H H 38 8.087 8.688 -0.601 1
1 369 . 5 1 1 A 38 38 GLU CA C 38 56.756 55.276 1.480 1
1 370 . 5 1 1 A 38 38 GLU HA H 38 4.226 4.644 -0.418 1
1 371 . 5 1 1 A 38 38 GLU CB C 38 30.420 30.056 0.364 1
1 375 . 5 1 1 A 38 38 GLU C C 38 176.480 175.056 1.424 1
1 378 . 5 1 1 A 39 39 LYS N N 39 122.154 125.621 -3.467 1
1 379 . 5 1 1 A 39 39 LYS H H 39 8.322 8.145 0.177 1
1 380 . 5 1 1 A 39 39 LYS CA C 39 56.239 55.797 0.442 1
1 381 . 5 1 1 A 39 39 LYS HA H 39 4.315 4.724 -0.409 1
1 382 . 5 1 1 A 39 39 LYS CB C 39 32.799 36.489 -3.690 1
1 390 . 5 1 1 A 39 39 LYS C C 39 176.535 173.794 2.741 1
1 395 . 5 1 1 A 40 40 LEU N N 40 123.630 125.825 -2.195 1
1 396 . 5 1 1 A 40 40 LEU H H 40 8.299 8.967 -0.668 1
1 397 . 5 1 1 A 40 40 LEU CA C 40 55.167 53.951 1.216 1
1 398 . 5 1 1 A 40 40 LEU HA H 40 4.398 4.739 -0.341 1
1 399 . 5 1 1 A 40 40 LEU CB C 40 42.364 41.289 1.075 1
1 411 . 5 1 1 A 40 40 LEU C C 40 177.392 175.149 2.243 1
1 413 . 5 1 1 A 41 41 SER N N 41 116.506 122.818 -6.312 1
1 414 . 5 1 1 A 41 41 SER H H 41 8.307 8.786 -0.479 1
1 415 . 5 1 1 A 41 41 SER CA C 41 58.290 57.226 1.064 1
1 416 . 5 1 1 A 41 41 SER HA H 41 4.449 5.136 -0.687 1
1 417 . 5 1 1 A 41 41 SER CB C 41 64.054 65.327 -1.273 1
1 419 . 5 1 1 A 41 41 SER C C 41 174.470 173.951 0.519 1
1 421 . 5 1 1 A 42 42 GLY N N 42 110.630 112.083 -1.453 1
1 422 . 5 1 1 A 42 42 GLY H H 42 8.215 8.374 -0.159 1
1 423 . 5 1 1 A 42 42 GLY CA C 42 44.768 45.520 -0.752 1
1 424 . 5 1 1 A 42 42 GLY HA3 H 42 4.145 4.180 -0.035 1
1 425 . 5 1 1 A 42 42 GLY C C 42 171.726 174.375 -2.649 1
1 426 . 5 1 1 A 42 42 GLY HA2 H 42 4.145 4.177 -0.032 1
1 427 . 5 1 1 A 43 43 PRO CA C 43 63.300 62.715 0.585 1
1 428 . 5 1 1 A 43 43 PRO HA H 43 4.487 4.572 -0.085 1
1 429 . 5 1 1 A 43 43 PRO CB C 43 32.225 33.259 -1.034 1
1 435 . 5 1 1 A 43 43 PRO C C 43 177.377 176.345 1.032 1
1 439 . 5 1 1 A 44 44 SER N N 44 116.384 113.329 3.055 1
1 440 . 5 1 1 A 44 44 SER H H 44 8.538 8.318 0.220 1
1 441 . 5 1 1 A 44 44 SER CA C 44 58.396 57.827 0.569 1
1 442 . 5 1 1 A 44 44 SER HA H 44 4.462 4.552 -0.090 1
1 443 . 5 1 1 A 44 44 SER CB C 44 63.785 62.788 0.997 1
1 445 . 5 1 1 A 44 44 SER C C 44 174.636 174.111 0.525 1
1 447 . 5 1 1 A 45 45 SER N N 45 117.830 117.740 0.090 1
1 448 . 5 1 1 A 45 45 SER H H 45 8.331 7.637 0.694 1
1 449 . 5 1 1 A 45 45 SER CA C 45 58.388 57.521 0.867 1
1 450 . 5 1 1 A 45 45 SER HA H 45 4.452 4.952 -0.500 1
1 451 . 5 1 1 A 45 45 SER CB C 45 64.109 64.771 -0.662 1
1 453 . 5 1 1 A 45 45 SER C C 45 173.898 174.515 -0.617 1
1 4 . 6 1 1 A 9 9 GLY CA C 9 45.254 46.836 -1.582 1
1 5 . 6 1 1 A 9 9 GLY HA3 H 9 3.953 3.912 0.041 1
1 6 . 6 1 1 A 9 9 GLY C C 9 174.042 174.714 -0.672 1
1 7 . 6 1 1 A 9 9 GLY HA2 H 9 3.953 3.910 0.043 1
1 8 . 6 1 1 A 10 10 GLU N N 10 120.168 119.323 0.845 1
1 9 . 6 1 1 A 10 10 GLU H H 10 8.189 7.780 0.409 1
1 10 . 6 1 1 A 10 10 GLU CA C 10 56.864 56.311 0.553 1
1 11 . 6 1 1 A 10 10 GLU HA H 10 4.190 4.223 -0.033 1
1 12 . 6 1 1 A 10 10 GLU CB C 10 30.408 30.036 0.372 1
1 16 . 6 1 1 A 10 10 GLU C C 10 176.310 175.987 0.323 1
1 19 . 6 1 1 A 11 11 LYS N N 11 121.384 120.944 0.440 1
1 20 . 6 1 1 A 11 11 LYS H H 11 8.303 8.386 -0.083 1
1 21 . 6 1 1 A 11 11 LYS CA C 11 53.617 53.211 0.406 1
1 22 . 6 1 1 A 11 11 LYS HA H 11 4.442 4.729 -0.287 1
1 23 . 6 1 1 A 11 11 LYS CB C 11 32.516 33.516 -1.000 1
1 31 . 6 1 1 A 11 11 LYS C C 11 174.008 176.176 -2.168 1
1 36 . 6 1 1 A 12 12 PRO CA C 12 63.810 65.026 -1.216 1
1 37 . 6 1 1 A 12 12 PRO HA H 12 4.209 4.229 -0.020 1
1 38 . 6 1 1 A 12 12 PRO CB C 12 32.136 31.527 0.609 1
1 44 . 6 1 1 A 12 12 PRO C C 12 176.465 175.912 0.553 1
1 48 . 6 1 1 A 13 13 TYR N N 13 118.430 118.244 0.186 1
1 49 . 6 1 1 A 13 13 TYR H H 13 7.828 7.389 0.439 1
1 50 . 6 1 1 A 13 13 TYR CA C 13 57.575 57.541 0.034 1
1 51 . 6 1 1 A 13 13 TYR HA H 13 4.633 5.035 -0.402 1
1 52 . 6 1 1 A 13 13 TYR CB C 13 38.137 40.831 -2.694 1
1 62 . 6 1 1 A 13 13 TYR C C 13 174.444 175.536 -1.092 1
1 64 . 6 1 1 A 14 14 LYS N N 14 124.304 121.243 3.061 1
1 65 . 6 1 1 A 14 14 LYS H H 14 8.454 8.883 -0.429 1
1 66 . 6 1 1 A 14 14 LYS CA C 14 54.800 54.029 0.771 1
1 67 . 6 1 1 A 14 14 LYS HA H 14 5.039 5.376 -0.337 1
1 68 . 6 1 1 A 14 14 LYS CB C 14 35.164 36.322 -1.158 1
1 76 . 6 1 1 A 14 14 LYS C C 14 175.455 175.316 0.139 1
1 81 . 6 1 1 A 15 15 CYS N N 15 126.669 122.962 3.707 1
1 82 . 6 1 1 A 15 15 CYS H H 15 9.138 8.917 0.221 1
1 83 . 6 1 1 A 15 15 CYS CA C 15 59.488 59.593 -0.105 1
1 84 . 6 1 1 A 15 15 CYS HA H 15 4.611 4.655 -0.044 1
1 85 . 6 1 1 A 15 15 CYS CB C 15 29.705 28.694 1.011 1
1 87 . 6 1 1 A 15 15 CYS C C 15 177.944 175.080 2.864 1
1 89 . 6 1 1 A 16 16 VAL N N 16 130.449 124.378 6.071 1
1 90 . 6 1 1 A 16 16 VAL H H 16 9.093 8.601 0.492 1
1 91 . 6 1 1 A 16 16 VAL CA C 16 64.724 63.378 1.346 1
1 92 . 6 1 1 A 16 16 VAL HA H 16 3.962 4.191 -0.229 1
1 93 . 6 1 1 A 16 16 VAL CB C 16 31.834 33.027 -1.193 1
1 103 . 6 1 1 A 16 16 VAL C C 16 176.285 177.434 -1.149 1
1 104 . 6 1 1 A 17 17 GLU N N 17 121.787 120.743 1.044 1
1 105 . 6 1 1 A 17 17 GLU H H 17 8.559 7.573 0.986 1
1 106 . 6 1 1 A 17 17 GLU CA C 17 58.471 58.548 -0.077 1
1 107 . 6 1 1 A 17 17 GLU HA H 17 4.214 4.041 0.173 1
1 108 . 6 1 1 A 17 17 GLU CB C 17 29.377 29.623 -0.246 1
1 112 . 6 1 1 A 17 17 GLU C C 17 177.492 177.969 -0.477 1
1 115 . 6 1 1 A 18 18 CYS N N 18 114.939 115.058 -0.119 1
1 116 . 6 1 1 A 18 18 CYS H H 18 8.082 8.036 0.046 1
1 117 . 6 1 1 A 18 18 CYS CA C 18 58.471 59.545 -1.074 1
1 118 . 6 1 1 A 18 18 CYS HA H 18 5.192 4.700 0.492 1
1 119 . 6 1 1 A 18 18 CYS CB C 18 32.509 30.003 2.506 1
1 121 . 6 1 1 A 18 18 CYS C C 18 176.460 175.529 0.931 1
1 123 . 6 1 1 A 19 19 GLY N N 19 113.538 110.388 3.150 1
1 124 . 6 1 1 A 19 19 GLY H H 19 8.196 8.211 -0.015 1
1 125 . 6 1 1 A 19 19 GLY CA C 19 46.242 45.375 0.867 1
1 126 . 6 1 1 A 19 19 GLY HA3 H 19 4.259 4.036 0.223 1
1 127 . 6 1 1 A 19 19 GLY C C 19 173.676 174.804 -1.128 1
1 128 . 6 1 1 A 19 19 GLY HA2 H 19 3.798 4.028 -0.230 1
1 129 . 6 1 1 A 20 20 LYS N N 20 123.263 120.109 3.154 1
1 130 . 6 1 1 A 20 20 LYS H H 20 7.926 7.339 0.587 1
1 131 . 6 1 1 A 20 20 LYS CA C 20 58.523 56.318 2.205 1
1 132 . 6 1 1 A 20 20 LYS HA H 20 3.981 4.376 -0.395 1
1 133 . 6 1 1 A 20 20 LYS CB C 20 33.810 34.322 -0.512 1
1 141 . 6 1 1 A 20 20 LYS C C 20 175.052 175.497 -0.445 1
1 146 . 6 1 1 A 21 21 GLY N N 21 108.411 107.874 0.537 1
1 147 . 6 1 1 A 21 21 GLY H H 21 7.976 8.318 -0.342 1
1 148 . 6 1 1 A 21 21 GLY CA C 21 44.194 44.363 -0.169 1
1 149 . 6 1 1 A 21 21 GLY HA3 H 21 4.999 4.418 0.581 1
1 150 . 6 1 1 A 21 21 GLY C C 21 172.339 171.434 0.905 1
1 151 . 6 1 1 A 21 21 GLY HA2 H 21 3.313 4.318 -1.005 1
1 152 . 6 1 1 A 22 22 TYR N N 22 118.701 123.230 -4.529 1
1 153 . 6 1 1 A 22 22 TYR H H 22 8.712 9.376 -0.664 1
1 154 . 6 1 1 A 22 22 TYR CA C 22 58.193 56.454 1.739 1
1 155 . 6 1 1 A 22 22 TYR HA H 22 4.627 5.066 -0.439 1
1 156 . 6 1 1 A 22 22 TYR CB C 22 43.318 41.398 1.920 1
1 166 . 6 1 1 A 22 22 TYR C C 22 175.114 176.263 -1.149 1
1 168 . 6 1 1 A 23 23 LYS N N 23 120.476 123.599 -3.123 1
1 169 . 6 1 1 A 23 23 LYS H H 23 9.060 8.744 0.316 1
1 170 . 6 1 1 A 23 23 LYS CA C 23 58.595 59.310 -0.715 1
1 171 . 6 1 1 A 23 23 LYS HA H 23 4.450 4.227 0.223 1
1 172 . 6 1 1 A 23 23 LYS CB C 23 33.830 32.101 1.729 1
1 180 . 6 1 1 A 23 23 LYS C C 23 176.227 176.025 0.202 1
1 185 . 6 1 1 A 24 24 ARG N N 24 114.342 119.871 -5.529 1
1 186 . 6 1 1 A 24 24 ARG H H 24 7.929 7.888 0.041 1
1 187 . 6 1 1 A 24 24 ARG CA C 24 53.954 54.717 -0.763 1
1 188 . 6 1 1 A 24 24 ARG HA H 24 4.786 4.857 -0.071 1
1 189 . 6 1 1 A 24 24 ARG CB C 24 32.890 33.077 -0.187 1
1 195 . 6 1 1 A 24 24 ARG C C 24 176.136 176.216 -0.080 1
1 199 . 6 1 1 A 25 25 ARG N N 25 127.212 126.106 1.106 1
1 200 . 6 1 1 A 25 25 ARG H H 25 8.379 8.336 0.043 1
1 201 . 6 1 1 A 25 25 ARG CA C 25 58.968 58.910 0.058 1
1 202 . 6 1 1 A 25 25 ARG HA H 25 3.047 3.327 -0.280 1
1 203 . 6 1 1 A 25 25 ARG CB C 25 28.874 29.234 -0.360 1
1 209 . 6 1 1 A 25 25 ARG C C 25 178.039 177.786 0.253 1
1 213 . 6 1 1 A 26 26 LEU N N 26 117.424 120.513 -3.089 1
1 214 . 6 1 1 A 26 26 LEU H H 26 8.321 8.014 0.307 1
1 215 . 6 1 1 A 26 26 LEU CA C 26 57.922 58.230 -0.308 1
1 216 . 6 1 1 A 26 26 LEU HA H 26 4.008 3.917 0.091 1
1 217 . 6 1 1 A 26 26 LEU CB C 26 42.295 41.803 0.492 1
1 229 . 6 1 1 A 26 26 LEU C C 26 178.591 177.806 0.785 1
1 231 . 6 1 1 A 27 27 ASP N N 27 116.153 118.277 -2.124 1
1 232 . 6 1 1 A 27 27 ASP H H 27 6.677 7.853 -1.176 1
1 233 . 6 1 1 A 27 27 ASP CA C 27 56.775 57.023 -0.248 1
1 234 . 6 1 1 A 27 27 ASP HA H 27 4.419 4.398 0.021 1
1 235 . 6 1 1 A 27 27 ASP CB C 27 40.901 40.742 0.159 1
1 237 . 6 1 1 A 27 27 ASP C C 27 178.564 178.596 -0.032 1
1 239 . 6 1 1 A 28 28 LEU N N 28 122.965 121.178 1.787 1
1 240 . 6 1 1 A 28 28 LEU H H 28 7.010 7.556 -0.546 1
1 241 . 6 1 1 A 28 28 LEU CA C 28 57.793 57.798 -0.005 1
1 242 . 6 1 1 A 28 28 LEU HA H 28 3.620 3.171 0.449 1
1 243 . 6 1 1 A 28 28 LEU CB C 28 40.261 41.166 -0.905 1
1 255 . 6 1 1 A 28 28 LEU C C 28 177.807 178.007 -0.200 1
1 257 . 6 1 1 A 29 29 ASP N N 29 120.296 119.030 1.266 1
1 258 . 6 1 1 A 29 29 ASP H H 29 8.371 8.408 -0.037 1
1 259 . 6 1 1 A 29 29 ASP CA C 29 57.703 57.054 0.649 1
1 260 . 6 1 1 A 29 29 ASP HA H 29 4.299 4.286 0.013 1
1 261 . 6 1 1 A 29 29 ASP CB C 29 39.968 41.097 -1.129 1
1 263 . 6 1 1 A 29 29 ASP C C 29 179.252 178.228 1.024 1
1 265 . 6 1 1 A 30 30 PHE N N 30 118.906 119.740 -0.834 1
1 266 . 6 1 1 A 30 30 PHE H H 30 7.830 7.596 0.234 1
1 267 . 6 1 1 A 30 30 PHE CA C 30 60.984 60.106 0.878 1
1 268 . 6 1 1 A 30 30 PHE HA H 30 4.238 4.173 0.065 1
1 269 . 6 1 1 A 30 30 PHE CB C 30 38.859 39.471 -0.612 1
1 281 . 6 1 1 A 30 30 PHE C C 30 178.386 177.484 0.902 1
1 283 . 6 1 1 A 31 31 HIS N N 31 119.537 118.604 0.933 1
1 284 . 6 1 1 A 31 31 HIS H H 31 7.773 8.476 -0.703 1
1 285 . 6 1 1 A 31 31 HIS CA C 31 58.968 59.866 -0.898 1
1 286 . 6 1 1 A 31 31 HIS HA H 31 4.244 4.286 -0.042 1
1 287 . 6 1 1 A 31 31 HIS CB C 31 28.055 29.951 -1.896 1
1 293 . 6 1 1 A 31 31 HIS C C 31 176.042 177.450 -1.408 1
1 295 . 6 1 1 A 32 32 GLN N N 32 114.850 117.634 -2.784 1
1 296 . 6 1 1 A 32 32 GLN H H 32 8.297 8.200 0.097 1
1 297 . 6 1 1 A 32 32 GLN CA C 32 59.097 59.033 0.064 1
1 298 . 6 1 1 A 32 32 GLN HA H 32 3.694 3.866 -0.172 1
1 299 . 6 1 1 A 32 32 GLN CB C 32 28.158 28.299 -0.141 1
1 306 . 6 1 1 A 32 32 GLN C C 32 177.287 178.555 -1.268 1
1 309 . 6 1 1 A 33 33 ARG N N 33 117.557 120.296 -2.739 1
1 310 . 6 1 1 A 33 33 ARG H H 33 7.132 8.080 -0.948 1
1 311 . 6 1 1 A 33 33 ARG CA C 33 58.358 59.070 -0.712 1
1 312 . 6 1 1 A 33 33 ARG HA H 33 4.101 3.987 0.114 1
1 313 . 6 1 1 A 33 33 ARG CB C 33 29.730 29.627 0.103 1
1 319 . 6 1 1 A 33 33 ARG C C 33 178.499 178.851 -0.352 1
1 323 . 6 1 1 A 34 34 VAL N N 34 116.405 116.456 -0.051 1
1 324 . 6 1 1 A 34 34 VAL H H 34 7.885 7.896 -0.011 1
1 325 . 6 1 1 A 34 34 VAL CA C 34 63.968 65.373 -1.405 1
1 326 . 6 1 1 A 34 34 VAL HA H 34 3.874 3.754 0.120 1
1 327 . 6 1 1 A 34 34 VAL CB C 34 31.122 31.239 -0.117 1
1 337 . 6 1 1 A 34 34 VAL C C 34 177.300 177.064 0.236 1
1 338 . 6 1 1 A 35 35 HIS N N 35 117.405 119.481 -2.076 1
1 339 . 6 1 1 A 35 35 HIS H H 35 7.235 7.454 -0.219 1
1 340 . 6 1 1 A 35 35 HIS CA C 35 55.330 57.664 -2.334 1
1 341 . 6 1 1 A 35 35 HIS HA H 35 4.857 4.412 0.445 1
1 342 . 6 1 1 A 35 35 HIS CB C 35 28.661 31.221 -2.560 1
1 348 . 6 1 1 A 35 35 HIS C C 35 175.854 175.469 0.385 1
1 350 . 6 1 1 A 36 36 THR N N 36 112.155 114.012 -1.857 1
1 351 . 6 1 1 A 36 36 THR H H 36 7.788 7.412 0.376 1
1 352 . 6 1 1 A 36 36 THR CA C 36 62.772 60.269 2.503 1
1 353 . 6 1 1 A 36 36 THR HA H 36 4.328 4.687 -0.359 1
1 354 . 6 1 1 A 36 36 THR CB C 36 69.799 70.372 -0.573 1
1 360 . 6 1 1 A 36 36 THR C C 36 175.542 173.506 2.036 1
1 361 . 6 1 1 A 37 37 GLY N N 37 110.545 114.401 -3.856 1
1 362 . 6 1 1 A 37 37 GLY H H 37 8.233 8.339 -0.106 1
1 363 . 6 1 1 A 37 37 GLY CA C 37 45.526 46.038 -0.512 1
1 364 . 6 1 1 A 37 37 GLY HA3 H 37 4.024 4.154 -0.130 1
1 365 . 6 1 1 A 37 37 GLY C C 37 174.293 171.856 2.437 1
1 366 . 6 1 1 A 37 37 GLY HA2 H 37 3.942 4.152 -0.210 1
1 367 . 6 1 1 A 38 38 GLU N N 38 120.757 122.359 -1.602 1
1 368 . 6 1 1 A 38 38 GLU H H 38 8.087 8.482 -0.395 1
1 369 . 6 1 1 A 38 38 GLU CA C 38 56.756 54.974 1.782 1
1 370 . 6 1 1 A 38 38 GLU HA H 38 4.226 4.459 -0.233 1
1 371 . 6 1 1 A 38 38 GLU CB C 38 30.420 27.948 2.472 1
1 375 . 6 1 1 A 38 38 GLU C C 38 176.480 176.476 0.004 1
1 378 . 6 1 1 A 39 39 LYS N N 39 122.154 125.284 -3.130 1
1 379 . 6 1 1 A 39 39 LYS H H 39 8.322 8.021 0.301 1
1 380 . 6 1 1 A 39 39 LYS CA C 39 56.239 59.375 -3.136 1
1 381 . 6 1 1 A 39 39 LYS HA H 39 4.315 4.008 0.307 1
1 382 . 6 1 1 A 39 39 LYS CB C 39 32.799 32.120 0.679 1
1 390 . 6 1 1 A 39 39 LYS C C 39 176.535 177.062 -0.527 1
1 395 . 6 1 1 A 40 40 LEU N N 40 123.630 118.364 5.266 1
1 396 . 6 1 1 A 40 40 LEU H H 40 8.299 7.689 0.610 1
1 397 . 6 1 1 A 40 40 LEU CA C 40 55.167 55.282 -0.115 1
1 398 . 6 1 1 A 40 40 LEU HA H 40 4.398 4.227 0.171 1
1 399 . 6 1 1 A 40 40 LEU CB C 40 42.364 42.465 -0.101 1
1 411 . 6 1 1 A 40 40 LEU C C 40 177.392 176.883 0.509 1
1 413 . 6 1 1 A 41 41 SER N N 41 116.506 115.165 1.341 1
1 414 . 6 1 1 A 41 41 SER H H 41 8.307 8.832 -0.525 1
1 415 . 6 1 1 A 41 41 SER CA C 41 58.290 56.383 1.907 1
1 416 . 6 1 1 A 41 41 SER HA H 41 4.449 4.869 -0.420 1
1 417 . 6 1 1 A 41 41 SER CB C 41 64.054 62.974 1.080 1
1 419 . 6 1 1 A 41 41 SER C C 41 174.470 174.039 0.431 1
1 421 . 6 1 1 A 42 42 GLY N N 42 110.630 110.016 0.614 1
1 422 . 6 1 1 A 42 42 GLY H H 42 8.215 8.038 0.177 1
1 423 . 6 1 1 A 42 42 GLY CA C 42 44.768 45.687 -0.919 1
1 424 . 6 1 1 A 42 42 GLY HA3 H 42 4.145 4.352 -0.207 1
1 425 . 6 1 1 A 42 42 GLY C C 42 171.726 171.872 -0.146 1
1 426 . 6 1 1 A 42 42 GLY HA2 H 42 4.145 4.352 -0.207 1
1 427 . 6 1 1 A 43 43 PRO CA C 43 63.300 62.492 0.808 1
1 428 . 6 1 1 A 43 43 PRO HA H 43 4.487 4.684 -0.197 1
1 429 . 6 1 1 A 43 43 PRO CB C 43 32.225 33.407 -1.182 1
1 435 . 6 1 1 A 43 43 PRO C C 43 177.377 176.499 0.878 1
1 439 . 6 1 1 A 44 44 SER N N 44 116.384 113.163 3.221 1
1 440 . 6 1 1 A 44 44 SER H H 44 8.538 8.389 0.149 1
1 441 . 6 1 1 A 44 44 SER CA C 44 58.396 59.362 -0.966 1
1 442 . 6 1 1 A 44 44 SER HA H 44 4.462 4.248 0.214 1
1 443 . 6 1 1 A 44 44 SER CB C 44 63.785 63.580 0.205 1
1 445 . 6 1 1 A 44 44 SER C C 44 174.636 174.382 0.254 1
1 447 . 6 1 1 A 45 45 SER N N 45 117.830 114.161 3.669 1
1 448 . 6 1 1 A 45 45 SER H H 45 8.331 7.648 0.683 1
1 449 . 6 1 1 A 45 45 SER CA C 45 58.388 56.911 1.477 1
1 450 . 6 1 1 A 45 45 SER HA H 45 4.452 4.870 -0.418 1
1 451 . 6 1 1 A 45 45 SER CB C 45 64.109 65.492 -1.383 1
1 453 . 6 1 1 A 45 45 SER C C 45 173.898 173.578 0.320 1
1 4 . 7 1 1 A 9 9 GLY CA C 9 45.254 45.905 -0.651 1
1 5 . 7 1 1 A 9 9 GLY HA3 H 9 3.953 4.209 -0.256 1
1 6 . 7 1 1 A 9 9 GLY C C 9 174.042 171.991 2.051 1
1 7 . 7 1 1 A 9 9 GLY HA2 H 9 3.953 4.207 -0.254 1
1 8 . 7 1 1 A 10 10 GLU N N 10 120.168 121.954 -1.786 1
1 9 . 7 1 1 A 10 10 GLU H H 10 8.189 9.022 -0.833 1
1 10 . 7 1 1 A 10 10 GLU CA C 10 56.864 54.623 2.241 1
1 11 . 7 1 1 A 10 10 GLU HA H 10 4.190 5.235 -1.045 1
1 12 . 7 1 1 A 10 10 GLU CB C 10 30.408 34.083 -3.675 1
1 16 . 7 1 1 A 10 10 GLU C C 10 176.310 174.539 1.771 1
1 19 . 7 1 1 A 11 11 LYS N N 11 121.384 120.409 0.975 1
1 20 . 7 1 1 A 11 11 LYS H H 11 8.303 8.367 -0.064 1
1 21 . 7 1 1 A 11 11 LYS CA C 11 53.617 53.165 0.452 1
1 22 . 7 1 1 A 11 11 LYS HA H 11 4.442 4.721 -0.279 1
1 23 . 7 1 1 A 11 11 LYS CB C 11 32.516 35.122 -2.606 1
1 31 . 7 1 1 A 11 11 LYS C C 11 174.008 176.158 -2.150 1
1 36 . 7 1 1 A 12 12 PRO CA C 12 63.810 64.952 -1.142 1
1 37 . 7 1 1 A 12 12 PRO HA H 12 4.209 4.232 -0.023 1
1 38 . 7 1 1 A 12 12 PRO CB C 12 32.136 31.524 0.612 1
1 44 . 7 1 1 A 12 12 PRO C C 12 176.465 175.889 0.576 1
1 48 . 7 1 1 A 13 13 TYR N N 13 118.430 118.194 0.236 1
1 49 . 7 1 1 A 13 13 TYR H H 13 7.828 7.767 0.061 1
1 50 . 7 1 1 A 13 13 TYR CA C 13 57.575 57.858 -0.283 1
1 51 . 7 1 1 A 13 13 TYR HA H 13 4.633 4.934 -0.301 1
1 52 . 7 1 1 A 13 13 TYR CB C 13 38.137 40.283 -2.146 1
1 62 . 7 1 1 A 13 13 TYR C C 13 174.444 175.955 -1.511 1
1 64 . 7 1 1 A 14 14 LYS N N 14 124.304 121.229 3.075 1
1 65 . 7 1 1 A 14 14 LYS H H 14 8.454 8.991 -0.537 1
1 66 . 7 1 1 A 14 14 LYS CA C 14 54.800 54.075 0.725 1
1 67 . 7 1 1 A 14 14 LYS HA H 14 5.039 5.363 -0.324 1
1 68 . 7 1 1 A 14 14 LYS CB C 14 35.164 36.482 -1.318 1
1 76 . 7 1 1 A 14 14 LYS C C 14 175.455 175.303 0.152 1
1 81 . 7 1 1 A 15 15 CYS N N 15 126.669 122.921 3.748 1
1 82 . 7 1 1 A 15 15 CYS H H 15 9.138 9.437 -0.299 1
1 83 . 7 1 1 A 15 15 CYS CA C 15 59.488 59.672 -0.184 1
1 84 . 7 1 1 A 15 15 CYS HA H 15 4.611 4.637 -0.026 1
1 85 . 7 1 1 A 15 15 CYS CB C 15 29.705 28.476 1.229 1
1 87 . 7 1 1 A 15 15 CYS C C 15 177.944 175.314 2.630 1
1 89 . 7 1 1 A 16 16 VAL N N 16 130.449 125.305 5.144 1
1 90 . 7 1 1 A 16 16 VAL H H 16 9.093 8.643 0.450 1
1 91 . 7 1 1 A 16 16 VAL CA C 16 64.724 63.128 1.596 1
1 92 . 7 1 1 A 16 16 VAL HA H 16 3.962 4.222 -0.260 1
1 93 . 7 1 1 A 16 16 VAL CB C 16 31.834 32.858 -1.024 1
1 103 . 7 1 1 A 16 16 VAL C C 16 176.285 177.263 -0.978 1
1 104 . 7 1 1 A 17 17 GLU N N 17 121.787 120.569 1.218 1
1 105 . 7 1 1 A 17 17 GLU H H 17 8.559 7.581 0.978 1
1 106 . 7 1 1 A 17 17 GLU CA C 17 58.471 58.222 0.249 1
1 107 . 7 1 1 A 17 17 GLU HA H 17 4.214 4.117 0.097 1
1 108 . 7 1 1 A 17 17 GLU CB C 17 29.377 29.804 -0.427 1
1 112 . 7 1 1 A 17 17 GLU C C 17 177.492 177.885 -0.393 1
1 115 . 7 1 1 A 18 18 CYS N N 18 114.939 114.943 -0.004 1
1 116 . 7 1 1 A 18 18 CYS H H 18 8.082 7.942 0.140 1
1 117 . 7 1 1 A 18 18 CYS CA C 18 58.471 59.270 -0.799 1
1 118 . 7 1 1 A 18 18 CYS HA H 18 5.192 4.715 0.477 1
1 119 . 7 1 1 A 18 18 CYS CB C 18 32.509 30.457 2.052 1
1 121 . 7 1 1 A 18 18 CYS C C 18 176.460 175.908 0.552 1
1 123 . 7 1 1 A 19 19 GLY N N 19 113.538 110.327 3.211 1
1 124 . 7 1 1 A 19 19 GLY H H 19 8.196 8.350 -0.154 1
1 125 . 7 1 1 A 19 19 GLY CA C 19 46.242 45.147 1.095 1
1 126 . 7 1 1 A 19 19 GLY HA3 H 19 4.259 4.018 0.241 1
1 127 . 7 1 1 A 19 19 GLY C C 19 173.676 174.538 -0.862 1
1 128 . 7 1 1 A 19 19 GLY HA2 H 19 3.798 4.008 -0.210 1
1 129 . 7 1 1 A 20 20 LYS N N 20 123.263 122.633 0.630 1
1 130 . 7 1 1 A 20 20 LYS H H 20 7.926 7.590 0.336 1
1 131 . 7 1 1 A 20 20 LYS CA C 20 58.523 56.765 1.758 1
1 132 . 7 1 1 A 20 20 LYS HA H 20 3.981 4.225 -0.244 1
1 133 . 7 1 1 A 20 20 LYS CB C 20 33.810 33.606 0.204 1
1 141 . 7 1 1 A 20 20 LYS C C 20 175.052 175.709 -0.657 1
1 146 . 7 1 1 A 21 21 GLY N N 21 108.411 111.498 -3.087 1
1 147 . 7 1 1 A 21 21 GLY H H 21 7.976 8.340 -0.364 1
1 148 . 7 1 1 A 21 21 GLY CA C 21 44.194 44.162 0.032 1
1 149 . 7 1 1 A 21 21 GLY HA3 H 21 4.999 4.322 0.677 1
1 150 . 7 1 1 A 21 21 GLY C C 21 172.339 171.461 0.878 1
1 151 . 7 1 1 A 21 21 GLY HA2 H 21 3.313 4.220 -0.907 1
1 152 . 7 1 1 A 22 22 TYR N N 22 118.701 122.731 -4.030 1
1 153 . 7 1 1 A 22 22 TYR H H 22 8.712 8.882 -0.170 1
1 154 . 7 1 1 A 22 22 TYR CA C 22 58.193 56.464 1.729 1
1 155 . 7 1 1 A 22 22 TYR HA H 22 4.627 4.958 -0.331 1
1 156 . 7 1 1 A 22 22 TYR CB C 22 43.318 42.383 0.935 1
1 166 . 7 1 1 A 22 22 TYR C C 22 175.114 175.980 -0.866 1
1 168 . 7 1 1 A 23 23 LYS N N 23 120.476 124.068 -3.592 1
1 169 . 7 1 1 A 23 23 LYS H H 23 9.060 8.850 0.210 1
1 170 . 7 1 1 A 23 23 LYS CA C 23 58.595 59.084 -0.489 1
1 171 . 7 1 1 A 23 23 LYS HA H 23 4.450 4.232 0.218 1
1 172 . 7 1 1 A 23 23 LYS CB C 23 33.830 33.045 0.785 1
1 180 . 7 1 1 A 23 23 LYS C C 23 176.227 175.800 0.427 1
1 185 . 7 1 1 A 24 24 ARG N N 24 114.342 119.246 -4.904 1
1 186 . 7 1 1 A 24 24 ARG H H 24 7.929 7.913 0.016 1
1 187 . 7 1 1 A 24 24 ARG CA C 24 53.954 54.219 -0.265 1
1 188 . 7 1 1 A 24 24 ARG HA H 24 4.786 4.791 -0.005 1
1 189 . 7 1 1 A 24 24 ARG CB C 24 32.890 33.442 -0.552 1
1 195 . 7 1 1 A 24 24 ARG C C 24 176.136 176.181 -0.045 1
1 199 . 7 1 1 A 25 25 ARG N N 25 127.212 125.318 1.894 1
1 200 . 7 1 1 A 25 25 ARG H H 25 8.379 8.006 0.373 1
1 201 . 7 1 1 A 25 25 ARG CA C 25 58.968 58.928 0.040 1
1 202 . 7 1 1 A 25 25 ARG HA H 25 3.047 3.290 -0.243 1
1 203 . 7 1 1 A 25 25 ARG CB C 25 28.874 29.578 -0.704 1
1 209 . 7 1 1 A 25 25 ARG C C 25 178.039 177.716 0.323 1
1 213 . 7 1 1 A 26 26 LEU N N 26 117.424 120.138 -2.714 1
1 214 . 7 1 1 A 26 26 LEU H H 26 8.321 8.012 0.309 1
1 215 . 7 1 1 A 26 26 LEU CA C 26 57.922 58.347 -0.425 1
1 216 . 7 1 1 A 26 26 LEU HA H 26 4.008 3.911 0.097 1
1 217 . 7 1 1 A 26 26 LEU CB C 26 42.295 42.023 0.272 1
1 229 . 7 1 1 A 26 26 LEU C C 26 178.591 178.146 0.445 1
1 231 . 7 1 1 A 27 27 ASP N N 27 116.153 118.633 -2.480 1
1 232 . 7 1 1 A 27 27 ASP H H 27 6.677 8.105 -1.428 1
1 233 . 7 1 1 A 27 27 ASP CA C 27 56.775 57.517 -0.742 1
1 234 . 7 1 1 A 27 27 ASP HA H 27 4.419 4.230 0.189 1
1 235 . 7 1 1 A 27 27 ASP CB C 27 40.901 41.930 -1.029 1
1 237 . 7 1 1 A 27 27 ASP C C 27 178.564 177.753 0.811 1
1 239 . 7 1 1 A 28 28 LEU N N 28 122.965 119.983 2.982 1
1 240 . 7 1 1 A 28 28 LEU H H 28 7.010 7.634 -0.624 1
1 241 . 7 1 1 A 28 28 LEU CA C 28 57.793 57.829 -0.036 1
1 242 . 7 1 1 A 28 28 LEU HA H 28 3.620 3.030 0.590 1
1 243 . 7 1 1 A 28 28 LEU CB C 28 40.261 41.081 -0.820 1
1 255 . 7 1 1 A 28 28 LEU C C 28 177.807 178.072 -0.265 1
1 257 . 7 1 1 A 29 29 ASP N N 29 120.296 118.849 1.447 1
1 258 . 7 1 1 A 29 29 ASP H H 29 8.371 8.410 -0.039 1
1 259 . 7 1 1 A 29 29 ASP CA C 29 57.703 56.984 0.719 1
1 260 . 7 1 1 A 29 29 ASP HA H 29 4.299 4.297 0.002 1
1 261 . 7 1 1 A 29 29 ASP CB C 29 39.968 41.279 -1.311 1
1 263 . 7 1 1 A 29 29 ASP C C 29 179.252 178.206 1.046 1
1 265 . 7 1 1 A 30 30 PHE N N 30 118.906 120.076 -1.170 1
1 266 . 7 1 1 A 30 30 PHE H H 30 7.830 7.788 0.042 1
1 267 . 7 1 1 A 30 30 PHE CA C 30 60.984 59.707 1.277 1
1 268 . 7 1 1 A 30 30 PHE HA H 30 4.238 4.161 0.077 1
1 269 . 7 1 1 A 30 30 PHE CB C 30 38.859 39.839 -0.980 1
1 281 . 7 1 1 A 30 30 PHE C C 30 178.386 177.458 0.928 1
1 283 . 7 1 1 A 31 31 HIS N N 31 119.537 118.779 0.758 1
1 284 . 7 1 1 A 31 31 HIS H H 31 7.773 8.381 -0.608 1
1 285 . 7 1 1 A 31 31 HIS CA C 31 58.968 59.963 -0.995 1
1 286 . 7 1 1 A 31 31 HIS HA H 31 4.244 4.265 -0.021 1
1 287 . 7 1 1 A 31 31 HIS CB C 31 28.055 29.878 -1.823 1
1 293 . 7 1 1 A 31 31 HIS C C 31 176.042 177.337 -1.295 1
1 295 . 7 1 1 A 32 32 GLN N N 32 114.850 117.851 -3.001 1
1 296 . 7 1 1 A 32 32 GLN H H 32 8.297 7.973 0.324 1
1 297 . 7 1 1 A 32 32 GLN CA C 32 59.097 58.958 0.139 1
1 298 . 7 1 1 A 32 32 GLN HA H 32 3.694 3.850 -0.156 1
1 299 . 7 1 1 A 32 32 GLN CB C 32 28.158 28.241 -0.083 1
1 306 . 7 1 1 A 32 32 GLN C C 32 177.287 178.676 -1.389 1
1 309 . 7 1 1 A 33 33 ARG N N 33 117.557 120.313 -2.756 1
1 310 . 7 1 1 A 33 33 ARG H H 33 7.132 8.089 -0.957 1
1 311 . 7 1 1 A 33 33 ARG CA C 33 58.358 59.013 -0.655 1
1 312 . 7 1 1 A 33 33 ARG HA H 33 4.101 3.905 0.196 1
1 313 . 7 1 1 A 33 33 ARG CB C 33 29.730 29.667 0.063 1
1 319 . 7 1 1 A 33 33 ARG C C 33 178.499 178.512 -0.013 1
1 323 . 7 1 1 A 34 34 VAL N N 34 116.405 117.012 -0.607 1
1 324 . 7 1 1 A 34 34 VAL H H 34 7.885 7.815 0.070 1
1 325 . 7 1 1 A 34 34 VAL CA C 34 63.968 65.546 -1.578 1
1 326 . 7 1 1 A 34 34 VAL HA H 34 3.874 3.717 0.157 1
1 327 . 7 1 1 A 34 34 VAL CB C 34 31.122 31.251 -0.129 1
1 337 . 7 1 1 A 34 34 VAL C C 34 177.300 178.115 -0.815 1
1 338 . 7 1 1 A 35 35 HIS N N 35 117.405 119.928 -2.523 1
1 339 . 7 1 1 A 35 35 HIS H H 35 7.235 7.631 -0.396 1
1 340 . 7 1 1 A 35 35 HIS CA C 35 55.330 58.824 -3.494 1
1 341 . 7 1 1 A 35 35 HIS HA H 35 4.857 4.376 0.481 1
1 342 . 7 1 1 A 35 35 HIS CB C 35 28.661 30.230 -1.569 1
1 348 . 7 1 1 A 35 35 HIS C C 35 175.854 175.519 0.335 1
1 350 . 7 1 1 A 36 36 THR N N 36 112.155 113.759 -1.604 1
1 351 . 7 1 1 A 36 36 THR H H 36 7.788 7.576 0.212 1
1 352 . 7 1 1 A 36 36 THR CA C 36 62.772 60.233 2.539 1
1 353 . 7 1 1 A 36 36 THR HA H 36 4.328 4.649 -0.321 1
1 354 . 7 1 1 A 36 36 THR CB C 36 69.799 70.439 -0.640 1
1 360 . 7 1 1 A 36 36 THR C C 36 175.542 174.199 1.343 1
1 361 . 7 1 1 A 37 37 GLY N N 37 110.545 115.847 -5.302 1
1 362 . 7 1 1 A 37 37 GLY H H 37 8.233 8.819 -0.586 1
1 363 . 7 1 1 A 37 37 GLY CA C 37 45.526 46.053 -0.527 1
1 364 . 7 1 1 A 37 37 GLY HA3 H 37 4.024 4.073 -0.049 1
1 365 . 7 1 1 A 37 37 GLY C C 37 174.293 174.224 0.069 1
1 366 . 7 1 1 A 37 37 GLY HA2 H 37 3.942 4.066 -0.124 1
1 367 . 7 1 1 A 38 38 GLU N N 38 120.757 118.909 1.848 1
1 368 . 7 1 1 A 38 38 GLU H H 38 8.087 7.824 0.263 1
1 369 . 7 1 1 A 38 38 GLU CA C 38 56.756 56.933 -0.177 1
1 370 . 7 1 1 A 38 38 GLU HA H 38 4.226 4.172 0.054 1
1 371 . 7 1 1 A 38 38 GLU CB C 38 30.420 29.209 1.211 1
1 375 . 7 1 1 A 38 38 GLU C C 38 176.480 176.742 -0.262 1
1 378 . 7 1 1 A 39 39 LYS N N 39 122.154 121.956 0.198 1
1 379 . 7 1 1 A 39 39 LYS H H 39 8.322 8.633 -0.311 1
1 380 . 7 1 1 A 39 39 LYS CA C 39 56.239 57.101 -0.862 1
1 381 . 7 1 1 A 39 39 LYS HA H 39 4.315 3.985 0.330 1
1 382 . 7 1 1 A 39 39 LYS CB C 39 32.799 30.256 2.543 1
1 390 . 7 1 1 A 39 39 LYS C C 39 176.535 176.140 0.395 1
1 395 . 7 1 1 A 40 40 LEU N N 40 123.630 124.038 -0.408 1
1 396 . 7 1 1 A 40 40 LEU H H 40 8.299 7.850 0.449 1
1 397 . 7 1 1 A 40 40 LEU CA C 40 55.167 54.999 0.168 1
1 398 . 7 1 1 A 40 40 LEU HA H 40 4.398 4.378 0.020 1
1 399 . 7 1 1 A 40 40 LEU CB C 40 42.364 43.250 -0.886 1
1 411 . 7 1 1 A 40 40 LEU C C 40 177.392 176.144 1.248 1
1 413 . 7 1 1 A 41 41 SER N N 41 116.506 118.109 -1.603 1
1 414 . 7 1 1 A 41 41 SER H H 41 8.307 8.482 -0.175 1
1 415 . 7 1 1 A 41 41 SER CA C 41 58.290 57.890 0.400 1
1 416 . 7 1 1 A 41 41 SER HA H 41 4.449 4.516 -0.067 1
1 417 . 7 1 1 A 41 41 SER CB C 41 64.054 64.671 -0.617 1
1 419 . 7 1 1 A 41 41 SER C C 41 174.470 174.026 0.444 1
1 421 . 7 1 1 A 42 42 GLY N N 42 110.630 108.883 1.747 1
1 422 . 7 1 1 A 42 42 GLY H H 42 8.215 8.162 0.053 1
1 423 . 7 1 1 A 42 42 GLY CA C 42 44.768 46.013 -1.245 1
1 424 . 7 1 1 A 42 42 GLY HA3 H 42 4.145 4.058 0.087 1
1 425 . 7 1 1 A 42 42 GLY C C 42 171.726 173.660 -1.934 1
1 426 . 7 1 1 A 42 42 GLY HA2 H 42 4.145 4.057 0.088 1
1 427 . 7 1 1 A 43 43 PRO CA C 43 63.300 62.554 0.746 1
1 428 . 7 1 1 A 43 43 PRO HA H 43 4.487 4.682 -0.195 1
1 429 . 7 1 1 A 43 43 PRO CB C 43 32.225 30.269 1.956 1
1 435 . 7 1 1 A 43 43 PRO C C 43 177.377 174.909 2.468 1
1 439 . 7 1 1 A 44 44 SER N N 44 116.384 119.636 -3.252 1
1 440 . 7 1 1 A 44 44 SER H H 44 8.538 8.255 0.283 1
1 441 . 7 1 1 A 44 44 SER CA C 44 58.396 56.736 1.660 1
1 442 . 7 1 1 A 44 44 SER HA H 44 4.462 4.831 -0.369 1
1 443 . 7 1 1 A 44 44 SER CB C 44 63.785 65.299 -1.514 1
1 445 . 7 1 1 A 44 44 SER C C 44 174.636 173.693 0.943 1
1 447 . 7 1 1 A 45 45 SER N N 45 117.830 119.137 -1.307 1
1 448 . 7 1 1 A 45 45 SER H H 45 8.331 8.775 -0.444 1
1 449 . 7 1 1 A 45 45 SER CA C 45 58.388 62.394 -4.006 1
1 450 . 7 1 1 A 45 45 SER HA H 45 4.452 4.116 0.336 1
1 451 . 7 1 1 A 45 45 SER CB C 45 64.109 62.825 1.284 1
1 453 . 7 1 1 A 45 45 SER C C 45 173.898 175.224 -1.326 1
1 4 . 8 1 1 A 9 9 GLY CA C 9 45.254 44.098 1.156 1
1 5 . 8 1 1 A 9 9 GLY HA3 H 9 3.953 4.248 -0.295 1
1 6 . 8 1 1 A 9 9 GLY C C 9 174.042 171.892 2.150 1
1 7 . 8 1 1 A 9 9 GLY HA2 H 9 3.953 4.243 -0.290 1
1 8 . 8 1 1 A 10 10 GLU N N 10 120.168 121.084 -0.916 1
1 9 . 8 1 1 A 10 10 GLU H H 10 8.189 8.622 -0.433 1
1 10 . 8 1 1 A 10 10 GLU CA C 10 56.864 55.459 1.405 1
1 11 . 8 1 1 A 10 10 GLU HA H 10 4.190 5.033 -0.843 1
1 12 . 8 1 1 A 10 10 GLU CB C 10 30.408 32.555 -2.147 1
1 16 . 8 1 1 A 10 10 GLU C C 10 176.310 175.550 0.760 1
1 19 . 8 1 1 A 11 11 LYS N N 11 121.384 123.120 -1.736 1
1 20 . 8 1 1 A 11 11 LYS H H 11 8.303 8.306 -0.003 1
1 21 . 8 1 1 A 11 11 LYS CA C 11 53.617 53.195 0.422 1
1 22 . 8 1 1 A 11 11 LYS HA H 11 4.442 4.747 -0.305 1
1 23 . 8 1 1 A 11 11 LYS CB C 11 32.516 34.139 -1.623 1
1 31 . 8 1 1 A 11 11 LYS C C 11 174.008 176.231 -2.223 1
1 36 . 8 1 1 A 12 12 PRO CA C 12 63.810 64.937 -1.127 1
1 37 . 8 1 1 A 12 12 PRO HA H 12 4.209 4.226 -0.017 1
1 38 . 8 1 1 A 12 12 PRO CB C 12 32.136 31.564 0.572 1
1 44 . 8 1 1 A 12 12 PRO C C 12 176.465 175.886 0.579 1
1 48 . 8 1 1 A 13 13 TYR N N 13 118.430 118.573 -0.143 1
1 49 . 8 1 1 A 13 13 TYR H H 13 7.828 7.750 0.078 1
1 50 . 8 1 1 A 13 13 TYR CA C 13 57.575 57.934 -0.359 1
1 51 . 8 1 1 A 13 13 TYR HA H 13 4.633 4.879 -0.246 1
1 52 . 8 1 1 A 13 13 TYR CB C 13 38.137 40.303 -2.166 1
1 62 . 8 1 1 A 13 13 TYR C C 13 174.444 175.788 -1.344 1
1 64 . 8 1 1 A 14 14 LYS N N 14 124.304 121.220 3.084 1
1 65 . 8 1 1 A 14 14 LYS H H 14 8.454 8.947 -0.493 1
1 66 . 8 1 1 A 14 14 LYS CA C 14 54.800 54.203 0.597 1
1 67 . 8 1 1 A 14 14 LYS HA H 14 5.039 5.311 -0.272 1
1 68 . 8 1 1 A 14 14 LYS CB C 14 35.164 36.335 -1.171 1
1 76 . 8 1 1 A 14 14 LYS C C 14 175.455 175.407 0.048 1
1 81 . 8 1 1 A 15 15 CYS N N 15 126.669 123.812 2.857 1
1 82 . 8 1 1 A 15 15 CYS H H 15 9.138 9.280 -0.142 1
1 83 . 8 1 1 A 15 15 CYS CA C 15 59.488 59.819 -0.331 1
1 84 . 8 1 1 A 15 15 CYS HA H 15 4.611 4.623 -0.012 1
1 85 . 8 1 1 A 15 15 CYS CB C 15 29.705 28.807 0.898 1
1 87 . 8 1 1 A 15 15 CYS C C 15 177.944 174.987 2.957 1
1 89 . 8 1 1 A 16 16 VAL N N 16 130.449 124.811 5.638 1
1 90 . 8 1 1 A 16 16 VAL H H 16 9.093 8.623 0.470 1
1 91 . 8 1 1 A 16 16 VAL CA C 16 64.724 63.437 1.287 1
1 92 . 8 1 1 A 16 16 VAL HA H 16 3.962 4.186 -0.224 1
1 93 . 8 1 1 A 16 16 VAL CB C 16 31.834 32.914 -1.080 1
1 103 . 8 1 1 A 16 16 VAL C C 16 176.285 177.513 -1.228 1
1 104 . 8 1 1 A 17 17 GLU N N 17 121.787 120.573 1.214 1
1 105 . 8 1 1 A 17 17 GLU H H 17 8.559 7.702 0.857 1
1 106 . 8 1 1 A 17 17 GLU CA C 17 58.471 58.680 -0.209 1
1 107 . 8 1 1 A 17 17 GLU HA H 17 4.214 3.963 0.251 1
1 108 . 8 1 1 A 17 17 GLU CB C 17 29.377 29.526 -0.149 1
1 112 . 8 1 1 A 17 17 GLU C C 17 177.492 177.868 -0.376 1
1 115 . 8 1 1 A 18 18 CYS N N 18 114.939 115.135 -0.196 1
1 116 . 8 1 1 A 18 18 CYS H H 18 8.082 8.021 0.061 1
1 117 . 8 1 1 A 18 18 CYS CA C 18 58.471 59.370 -0.899 1
1 118 . 8 1 1 A 18 18 CYS HA H 18 5.192 4.693 0.499 1
1 119 . 8 1 1 A 18 18 CYS CB C 18 32.509 30.333 2.176 1
1 121 . 8 1 1 A 18 18 CYS C C 18 176.460 175.650 0.810 1
1 123 . 8 1 1 A 19 19 GLY N N 19 113.538 110.140 3.398 1
1 124 . 8 1 1 A 19 19 GLY H H 19 8.196 8.210 -0.014 1
1 125 . 8 1 1 A 19 19 GLY CA C 19 46.242 45.155 1.087 1
1 126 . 8 1 1 A 19 19 GLY HA3 H 19 4.259 4.034 0.225 1
1 127 . 8 1 1 A 19 19 GLY C C 19 173.676 174.623 -0.947 1
1 128 . 8 1 1 A 19 19 GLY HA2 H 19 3.798 4.025 -0.227 1
1 129 . 8 1 1 A 20 20 LYS N N 20 123.263 122.646 0.617 1
1 130 . 8 1 1 A 20 20 LYS H H 20 7.926 7.561 0.365 1
1 131 . 8 1 1 A 20 20 LYS CA C 20 58.523 56.324 2.199 1
1 132 . 8 1 1 A 20 20 LYS HA H 20 3.981 4.296 -0.315 1
1 133 . 8 1 1 A 20 20 LYS CB C 20 33.810 33.503 0.307 1
1 141 . 8 1 1 A 20 20 LYS C C 20 175.052 175.746 -0.694 1
1 146 . 8 1 1 A 21 21 GLY N N 21 108.411 110.118 -1.707 1
1 147 . 8 1 1 A 21 21 GLY H H 21 7.976 8.323 -0.347 1
1 148 . 8 1 1 A 21 21 GLY CA C 21 44.194 44.160 0.034 1
1 149 . 8 1 1 A 21 21 GLY HA3 H 21 4.999 4.454 0.545 1
1 150 . 8 1 1 A 21 21 GLY C C 21 172.339 171.606 0.733 1
1 151 . 8 1 1 A 21 21 GLY HA2 H 21 3.313 4.342 -1.029 1
1 152 . 8 1 1 A 22 22 TYR N N 22 118.701 122.059 -3.358 1
1 153 . 8 1 1 A 22 22 TYR H H 22 8.712 8.773 -0.061 1
1 154 . 8 1 1 A 22 22 TYR CA C 22 58.193 56.544 1.649 1
1 155 . 8 1 1 A 22 22 TYR HA H 22 4.627 5.072 -0.445 1
1 156 . 8 1 1 A 22 22 TYR CB C 22 43.318 41.706 1.612 1
1 166 . 8 1 1 A 22 22 TYR C C 22 175.114 175.954 -0.840 1
1 168 . 8 1 1 A 23 23 LYS N N 23 120.476 126.128 -5.652 1
1 169 . 8 1 1 A 23 23 LYS H H 23 9.060 8.946 0.114 1
1 170 . 8 1 1 A 23 23 LYS CA C 23 58.595 59.552 -0.957 1
1 171 . 8 1 1 A 23 23 LYS HA H 23 4.450 4.113 0.337 1
1 172 . 8 1 1 A 23 23 LYS CB C 23 33.830 32.522 1.308 1
1 180 . 8 1 1 A 23 23 LYS C C 23 176.227 175.875 0.352 1
1 185 . 8 1 1 A 24 24 ARG N N 24 114.342 118.996 -4.654 1
1 186 . 8 1 1 A 24 24 ARG H H 24 7.929 7.842 0.087 1
1 187 . 8 1 1 A 24 24 ARG CA C 24 53.954 54.192 -0.238 1
1 188 . 8 1 1 A 24 24 ARG HA H 24 4.786 4.836 -0.050 1
1 189 . 8 1 1 A 24 24 ARG CB C 24 32.890 33.124 -0.234 1
1 195 . 8 1 1 A 24 24 ARG C C 24 176.136 175.970 0.166 1
1 199 . 8 1 1 A 25 25 ARG N N 25 127.212 125.224 1.988 1
1 200 . 8 1 1 A 25 25 ARG H H 25 8.379 8.485 -0.106 1
1 201 . 8 1 1 A 25 25 ARG CA C 25 58.968 58.392 0.576 1
1 202 . 8 1 1 A 25 25 ARG HA H 25 3.047 3.309 -0.262 1
1 203 . 8 1 1 A 25 25 ARG CB C 25 28.874 29.338 -0.464 1
1 209 . 8 1 1 A 25 25 ARG C C 25 178.039 177.384 0.655 1
1 213 . 8 1 1 A 26 26 LEU N N 26 117.424 120.681 -3.257 1
1 214 . 8 1 1 A 26 26 LEU H H 26 8.321 8.039 0.282 1
1 215 . 8 1 1 A 26 26 LEU CA C 26 57.922 57.874 0.048 1
1 216 . 8 1 1 A 26 26 LEU HA H 26 4.008 3.959 0.049 1
1 217 . 8 1 1 A 26 26 LEU CB C 26 42.295 41.508 0.787 1
1 229 . 8 1 1 A 26 26 LEU C C 26 178.591 178.069 0.522 1
1 231 . 8 1 1 A 27 27 ASP N N 27 116.153 119.433 -3.280 1
1 232 . 8 1 1 A 27 27 ASP H H 27 6.677 8.047 -1.370 1
1 233 . 8 1 1 A 27 27 ASP CA C 27 56.775 57.320 -0.545 1
1 234 . 8 1 1 A 27 27 ASP HA H 27 4.419 4.294 0.125 1
1 235 . 8 1 1 A 27 27 ASP CB C 27 40.901 41.306 -0.405 1
1 237 . 8 1 1 A 27 27 ASP C C 27 178.564 177.948 0.616 1
1 239 . 8 1 1 A 28 28 LEU N N 28 122.965 120.275 2.690 1
1 240 . 8 1 1 A 28 28 LEU H H 28 7.010 7.461 -0.451 1
1 241 . 8 1 1 A 28 28 LEU CA C 28 57.793 57.440 0.353 1
1 242 . 8 1 1 A 28 28 LEU HA H 28 3.620 3.012 0.608 1
1 243 . 8 1 1 A 28 28 LEU CB C 28 40.261 41.233 -0.972 1
1 255 . 8 1 1 A 28 28 LEU C C 28 177.807 177.860 -0.053 1
1 257 . 8 1 1 A 29 29 ASP N N 29 120.296 119.038 1.258 1
1 258 . 8 1 1 A 29 29 ASP H H 29 8.371 8.435 -0.064 1
1 259 . 8 1 1 A 29 29 ASP CA C 29 57.703 56.993 0.710 1
1 260 . 8 1 1 A 29 29 ASP HA H 29 4.299 4.271 0.028 1
1 261 . 8 1 1 A 29 29 ASP CB C 29 39.968 41.491 -1.523 1
1 263 . 8 1 1 A 29 29 ASP C C 29 179.252 178.303 0.949 1
1 265 . 8 1 1 A 30 30 PHE N N 30 118.906 119.933 -1.027 1
1 266 . 8 1 1 A 30 30 PHE H H 30 7.830 7.638 0.192 1
1 267 . 8 1 1 A 30 30 PHE CA C 30 60.984 60.091 0.893 1
1 268 . 8 1 1 A 30 30 PHE HA H 30 4.238 4.145 0.093 1
1 269 . 8 1 1 A 30 30 PHE CB C 30 38.859 39.690 -0.831 1
1 281 . 8 1 1 A 30 30 PHE C C 30 178.386 177.475 0.911 1
1 283 . 8 1 1 A 31 31 HIS N N 31 119.537 118.664 0.873 1
1 284 . 8 1 1 A 31 31 HIS H H 31 7.773 8.415 -0.642 1
1 285 . 8 1 1 A 31 31 HIS CA C 31 58.968 59.786 -0.818 1
1 286 . 8 1 1 A 31 31 HIS HA H 31 4.244 4.272 -0.028 1
1 287 . 8 1 1 A 31 31 HIS CB C 31 28.055 29.663 -1.608 1
1 293 . 8 1 1 A 31 31 HIS C C 31 176.042 177.391 -1.349 1
1 295 . 8 1 1 A 32 32 GLN N N 32 114.850 117.316 -2.466 1
1 296 . 8 1 1 A 32 32 GLN H H 32 8.297 8.158 0.139 1
1 297 . 8 1 1 A 32 32 GLN CA C 32 59.097 59.009 0.088 1
1 298 . 8 1 1 A 32 32 GLN HA H 32 3.694 3.834 -0.140 1
1 299 . 8 1 1 A 32 32 GLN CB C 32 28.158 28.340 -0.182 1
1 306 . 8 1 1 A 32 32 GLN C C 32 177.287 178.503 -1.216 1
1 309 . 8 1 1 A 33 33 ARG N N 33 117.557 120.434 -2.877 1
1 310 . 8 1 1 A 33 33 ARG H H 33 7.132 8.041 -0.909 1
1 311 . 8 1 1 A 33 33 ARG CA C 33 58.358 58.931 -0.573 1
1 312 . 8 1 1 A 33 33 ARG HA H 33 4.101 4.190 -0.089 1
1 313 . 8 1 1 A 33 33 ARG CB C 33 29.730 29.768 -0.038 1
1 319 . 8 1 1 A 33 33 ARG C C 33 178.499 178.729 -0.230 1
1 323 . 8 1 1 A 34 34 VAL N N 34 116.405 116.798 -0.393 1
1 324 . 8 1 1 A 34 34 VAL H H 34 7.885 7.952 -0.067 1
1 325 . 8 1 1 A 34 34 VAL CA C 34 63.968 65.524 -1.556 1
1 326 . 8 1 1 A 34 34 VAL HA H 34 3.874 3.689 0.185 1
1 327 . 8 1 1 A 34 34 VAL CB C 34 31.122 31.168 -0.046 1
1 337 . 8 1 1 A 34 34 VAL C C 34 177.300 178.181 -0.881 1
1 338 . 8 1 1 A 35 35 HIS N N 35 117.405 120.217 -2.812 1
1 339 . 8 1 1 A 35 35 HIS H H 35 7.235 7.364 -0.129 1
1 340 . 8 1 1 A 35 35 HIS CA C 35 55.330 59.597 -4.267 1
1 341 . 8 1 1 A 35 35 HIS HA H 35 4.857 4.262 0.595 1
1 342 . 8 1 1 A 35 35 HIS CB C 35 28.661 30.485 -1.824 1
1 348 . 8 1 1 A 35 35 HIS C C 35 175.854 175.768 0.086 1
1 350 . 8 1 1 A 36 36 THR N N 36 112.155 109.822 2.333 1
1 351 . 8 1 1 A 36 36 THR H H 36 7.788 7.507 0.281 1
1 352 . 8 1 1 A 36 36 THR CA C 36 62.772 61.566 1.206 1
1 353 . 8 1 1 A 36 36 THR HA H 36 4.328 4.299 0.029 1
1 354 . 8 1 1 A 36 36 THR CB C 36 69.799 68.213 1.586 1
1 360 . 8 1 1 A 36 36 THR C C 36 175.542 174.082 1.460 1
1 361 . 8 1 1 A 37 37 GLY N N 37 110.545 111.902 -1.357 1
1 362 . 8 1 1 A 37 37 GLY H H 37 8.233 8.548 -0.315 1
1 363 . 8 1 1 A 37 37 GLY CA C 37 45.526 44.776 0.750 1
1 364 . 8 1 1 A 37 37 GLY HA3 H 37 4.024 4.211 -0.187 1
1 365 . 8 1 1 A 37 37 GLY C C 37 174.293 174.897 -0.604 1
1 366 . 8 1 1 A 37 37 GLY HA2 H 37 3.942 4.201 -0.259 1
1 367 . 8 1 1 A 38 38 GLU N N 38 120.757 122.007 -1.250 1
1 368 . 8 1 1 A 38 38 GLU H H 38 8.087 8.847 -0.760 1
1 369 . 8 1 1 A 38 38 GLU CA C 38 56.756 58.536 -1.780 1
1 370 . 8 1 1 A 38 38 GLU HA H 38 4.226 4.170 0.056 1
1 371 . 8 1 1 A 38 38 GLU CB C 38 30.420 29.106 1.314 1
1 375 . 8 1 1 A 38 38 GLU C C 38 176.480 175.981 0.499 1
1 378 . 8 1 1 A 39 39 LYS N N 39 122.154 120.240 1.914 1
1 379 . 8 1 1 A 39 39 LYS H H 39 8.322 7.378 0.944 1
1 380 . 8 1 1 A 39 39 LYS CA C 39 56.239 55.635 0.604 1
1 381 . 8 1 1 A 39 39 LYS HA H 39 4.315 4.410 -0.095 1
1 382 . 8 1 1 A 39 39 LYS CB C 39 32.799 34.025 -1.226 1
1 390 . 8 1 1 A 39 39 LYS C C 39 176.535 177.085 -0.550 1
1 395 . 8 1 1 A 40 40 LEU N N 40 123.630 127.279 -3.649 1
1 396 . 8 1 1 A 40 40 LEU H H 40 8.299 8.490 -0.191 1
1 397 . 8 1 1 A 40 40 LEU CA C 40 55.167 58.125 -2.958 1
1 398 . 8 1 1 A 40 40 LEU HA H 40 4.398 3.902 0.496 1
1 399 . 8 1 1 A 40 40 LEU CB C 40 42.364 41.992 0.372 1
1 411 . 8 1 1 A 40 40 LEU C C 40 177.392 177.184 0.208 1
1 413 . 8 1 1 A 41 41 SER N N 41 116.506 110.693 5.813 1
1 414 . 8 1 1 A 41 41 SER H H 41 8.307 7.625 0.682 1
1 415 . 8 1 1 A 41 41 SER CA C 41 58.290 57.257 1.033 1
1 416 . 8 1 1 A 41 41 SER HA H 41 4.449 4.923 -0.474 1
1 417 . 8 1 1 A 41 41 SER CB C 41 64.054 66.940 -2.886 1
1 419 . 8 1 1 A 41 41 SER C C 41 174.470 173.745 0.725 1
1 421 . 8 1 1 A 42 42 GLY N N 42 110.630 109.481 1.149 1
1 422 . 8 1 1 A 42 42 GLY H H 42 8.215 8.268 -0.053 1
1 423 . 8 1 1 A 42 42 GLY CA C 42 44.768 46.119 -1.351 1
1 424 . 8 1 1 A 42 42 GLY HA3 H 42 4.145 4.073 0.072 1
1 425 . 8 1 1 A 42 42 GLY C C 42 171.726 173.871 -2.145 1
1 426 . 8 1 1 A 42 42 GLY HA2 H 42 4.145 4.072 0.073 1
1 427 . 8 1 1 A 43 43 PRO CA C 43 63.300 62.232 1.068 1
1 428 . 8 1 1 A 43 43 PRO HA H 43 4.487 4.664 -0.177 1
1 429 . 8 1 1 A 43 43 PRO CB C 43 32.225 29.753 2.472 1
1 435 . 8 1 1 A 43 43 PRO C C 43 177.377 177.094 0.283 1
1 439 . 8 1 1 A 44 44 SER N N 44 116.384 121.310 -4.926 1
1 440 . 8 1 1 A 44 44 SER H H 44 8.538 8.586 -0.048 1
1 441 . 8 1 1 A 44 44 SER CA C 44 58.396 60.924 -2.528 1
1 442 . 8 1 1 A 44 44 SER HA H 44 4.462 4.425 0.037 1
1 443 . 8 1 1 A 44 44 SER CB C 44 63.785 63.113 0.672 1
1 445 . 8 1 1 A 44 44 SER C C 44 174.636 174.007 0.629 1
1 447 . 8 1 1 A 45 45 SER N N 45 117.830 115.741 2.089 1
1 448 . 8 1 1 A 45 45 SER H H 45 8.331 7.937 0.394 1
1 449 . 8 1 1 A 45 45 SER CA C 45 58.388 57.090 1.298 1
1 450 . 8 1 1 A 45 45 SER HA H 45 4.452 4.585 -0.133 1
1 451 . 8 1 1 A 45 45 SER CB C 45 64.109 63.166 0.943 1
1 453 . 8 1 1 A 45 45 SER C C 45 173.898 173.480 0.418 1
1 4 . 9 1 1 A 9 9 GLY CA C 9 45.254 45.301 -0.047 1
1 5 . 9 1 1 A 9 9 GLY HA3 H 9 3.953 3.908 0.045 1
1 6 . 9 1 1 A 9 9 GLY C C 9 174.042 172.891 1.151 1
1 7 . 9 1 1 A 9 9 GLY HA2 H 9 3.953 3.906 0.047 1
1 8 . 9 1 1 A 10 10 GLU N N 10 120.168 120.056 0.112 1
1 9 . 9 1 1 A 10 10 GLU H H 10 8.189 8.427 -0.238 1
1 10 . 9 1 1 A 10 10 GLU CA C 10 56.864 55.006 1.858 1
1 11 . 9 1 1 A 10 10 GLU HA H 10 4.190 5.027 -0.837 1
1 12 . 9 1 1 A 10 10 GLU CB C 10 30.408 33.367 -2.959 1
1 16 . 9 1 1 A 10 10 GLU C C 10 176.310 174.435 1.875 1
1 19 . 9 1 1 A 11 11 LYS N N 11 121.384 126.732 -5.348 1
1 20 . 9 1 1 A 11 11 LYS H H 11 8.303 8.724 -0.421 1
1 21 . 9 1 1 A 11 11 LYS CA C 11 53.617 53.352 0.265 1
1 22 . 9 1 1 A 11 11 LYS HA H 11 4.442 4.746 -0.304 1
1 23 . 9 1 1 A 11 11 LYS CB C 11 32.516 33.324 -0.808 1
1 31 . 9 1 1 A 11 11 LYS C C 11 174.008 176.501 -2.493 1
1 36 . 9 1 1 A 12 12 PRO CA C 12 63.810 64.949 -1.139 1
1 37 . 9 1 1 A 12 12 PRO HA H 12 4.209 4.240 -0.031 1
1 38 . 9 1 1 A 12 12 PRO CB C 12 32.136 31.494 0.642 1
1 44 . 9 1 1 A 12 12 PRO C C 12 176.465 175.880 0.585 1
1 48 . 9 1 1 A 13 13 TYR N N 13 118.430 118.209 0.221 1
1 49 . 9 1 1 A 13 13 TYR H H 13 7.828 7.740 0.088 1
1 50 . 9 1 1 A 13 13 TYR CA C 13 57.575 57.976 -0.401 1
1 51 . 9 1 1 A 13 13 TYR HA H 13 4.633 4.903 -0.270 1
1 52 . 9 1 1 A 13 13 TYR CB C 13 38.137 40.358 -2.221 1
1 62 . 9 1 1 A 13 13 TYR C C 13 174.444 175.821 -1.377 1
1 64 . 9 1 1 A 14 14 LYS N N 14 124.304 121.251 3.053 1
1 65 . 9 1 1 A 14 14 LYS H H 14 8.454 8.954 -0.500 1
1 66 . 9 1 1 A 14 14 LYS CA C 14 54.800 54.166 0.634 1
1 67 . 9 1 1 A 14 14 LYS HA H 14 5.039 5.292 -0.253 1
1 68 . 9 1 1 A 14 14 LYS CB C 14 35.164 36.257 -1.093 1
1 76 . 9 1 1 A 14 14 LYS C C 14 175.455 175.349 0.106 1
1 81 . 9 1 1 A 15 15 CYS N N 15 126.669 123.726 2.943 1
1 82 . 9 1 1 A 15 15 CYS H H 15 9.138 9.531 -0.393 1
1 83 . 9 1 1 A 15 15 CYS CA C 15 59.488 59.690 -0.202 1
1 84 . 9 1 1 A 15 15 CYS HA H 15 4.611 4.629 -0.018 1
1 85 . 9 1 1 A 15 15 CYS CB C 15 29.705 28.925 0.780 1
1 87 . 9 1 1 A 15 15 CYS C C 15 177.944 174.853 3.091 1
1 89 . 9 1 1 A 16 16 VAL N N 16 130.449 124.346 6.103 1
1 90 . 9 1 1 A 16 16 VAL H H 16 9.093 8.607 0.486 1
1 91 . 9 1 1 A 16 16 VAL CA C 16 64.724 63.480 1.244 1
1 92 . 9 1 1 A 16 16 VAL HA H 16 3.962 4.204 -0.242 1
1 93 . 9 1 1 A 16 16 VAL CB C 16 31.834 33.365 -1.531 1
1 103 . 9 1 1 A 16 16 VAL C C 16 176.285 177.513 -1.228 1
1 104 . 9 1 1 A 17 17 GLU N N 17 121.787 120.795 0.992 1
1 105 . 9 1 1 A 17 17 GLU H H 17 8.559 7.600 0.959 1
1 106 . 9 1 1 A 17 17 GLU CA C 17 58.471 58.785 -0.314 1
1 107 . 9 1 1 A 17 17 GLU HA H 17 4.214 3.981 0.233 1
1 108 . 9 1 1 A 17 17 GLU CB C 17 29.377 29.535 -0.158 1
1 112 . 9 1 1 A 17 17 GLU C C 17 177.492 178.018 -0.526 1
1 115 . 9 1 1 A 18 18 CYS N N 18 114.939 115.082 -0.143 1
1 116 . 9 1 1 A 18 18 CYS H H 18 8.082 8.046 0.036 1
1 117 . 9 1 1 A 18 18 CYS CA C 18 58.471 59.549 -1.078 1
1 118 . 9 1 1 A 18 18 CYS HA H 18 5.192 4.713 0.479 1
1 119 . 9 1 1 A 18 18 CYS CB C 18 32.509 30.028 2.481 1
1 121 . 9 1 1 A 18 18 CYS C C 18 176.460 175.580 0.880 1
1 123 . 9 1 1 A 19 19 GLY N N 19 113.538 110.343 3.195 1
1 124 . 9 1 1 A 19 19 GLY H H 19 8.196 8.324 -0.128 1
1 125 . 9 1 1 A 19 19 GLY CA C 19 46.242 45.402 0.840 1
1 126 . 9 1 1 A 19 19 GLY HA3 H 19 4.259 4.001 0.258 1
1 127 . 9 1 1 A 19 19 GLY C C 19 173.676 174.574 -0.898 1
1 128 . 9 1 1 A 19 19 GLY HA2 H 19 3.798 3.990 -0.192 1
1 129 . 9 1 1 A 20 20 LYS N N 20 123.263 122.640 0.623 1
1 130 . 9 1 1 A 20 20 LYS H H 20 7.926 7.537 0.389 1
1 131 . 9 1 1 A 20 20 LYS CA C 20 58.523 56.297 2.226 1
1 132 . 9 1 1 A 20 20 LYS HA H 20 3.981 4.269 -0.288 1
1 133 . 9 1 1 A 20 20 LYS CB C 20 33.810 33.716 0.094 1
1 141 . 9 1 1 A 20 20 LYS C C 20 175.052 175.907 -0.855 1
1 146 . 9 1 1 A 21 21 GLY N N 21 108.411 112.334 -3.923 1
1 147 . 9 1 1 A 21 21 GLY H H 21 7.976 8.427 -0.451 1
1 148 . 9 1 1 A 21 21 GLY CA C 21 44.194 44.295 -0.101 1
1 149 . 9 1 1 A 21 21 GLY HA3 H 21 4.999 4.305 0.694 1
1 150 . 9 1 1 A 21 21 GLY C C 21 172.339 171.558 0.781 1
1 151 . 9 1 1 A 21 21 GLY HA2 H 21 3.313 4.210 -0.897 1
1 152 . 9 1 1 A 22 22 TYR N N 22 118.701 123.537 -4.836 1
1 153 . 9 1 1 A 22 22 TYR H H 22 8.712 8.851 -0.139 1
1 154 . 9 1 1 A 22 22 TYR CA C 22 58.193 56.672 1.521 1
1 155 . 9 1 1 A 22 22 TYR HA H 22 4.627 5.009 -0.382 1
1 156 . 9 1 1 A 22 22 TYR CB C 22 43.318 41.370 1.948 1
1 166 . 9 1 1 A 22 22 TYR C C 22 175.114 176.450 -1.336 1
1 168 . 9 1 1 A 23 23 LYS N N 23 120.476 123.958 -3.482 1
1 169 . 9 1 1 A 23 23 LYS H H 23 9.060 8.648 0.412 1
1 170 . 9 1 1 A 23 23 LYS CA C 23 58.595 59.605 -1.010 1
1 171 . 9 1 1 A 23 23 LYS HA H 23 4.450 4.128 0.322 1
1 172 . 9 1 1 A 23 23 LYS CB C 23 33.830 32.663 1.167 1
1 180 . 9 1 1 A 23 23 LYS C C 23 176.227 176.765 -0.538 1
1 185 . 9 1 1 A 24 24 ARG N N 24 114.342 118.794 -4.452 1
1 186 . 9 1 1 A 24 24 ARG H H 24 7.929 7.883 0.046 1
1 187 . 9 1 1 A 24 24 ARG CA C 24 53.954 54.321 -0.367 1
1 188 . 9 1 1 A 24 24 ARG HA H 24 4.786 4.877 -0.091 1
1 189 . 9 1 1 A 24 24 ARG CB C 24 32.890 33.464 -0.574 1
1 195 . 9 1 1 A 24 24 ARG C C 24 176.136 176.234 -0.098 1
1 199 . 9 1 1 A 25 25 ARG N N 25 127.212 125.609 1.603 1
1 200 . 9 1 1 A 25 25 ARG H H 25 8.379 8.320 0.059 1
1 201 . 9 1 1 A 25 25 ARG CA C 25 58.968 58.821 0.147 1
1 202 . 9 1 1 A 25 25 ARG HA H 25 3.047 3.264 -0.217 1
1 203 . 9 1 1 A 25 25 ARG CB C 25 28.874 29.480 -0.606 1
1 209 . 9 1 1 A 25 25 ARG C C 25 178.039 177.622 0.417 1
1 213 . 9 1 1 A 26 26 LEU N N 26 117.424 120.283 -2.859 1
1 214 . 9 1 1 A 26 26 LEU H H 26 8.321 7.993 0.328 1
1 215 . 9 1 1 A 26 26 LEU CA C 26 57.922 58.267 -0.345 1
1 216 . 9 1 1 A 26 26 LEU HA H 26 4.008 3.916 0.092 1
1 217 . 9 1 1 A 26 26 LEU CB C 26 42.295 41.998 0.297 1
1 229 . 9 1 1 A 26 26 LEU C C 26 178.591 178.105 0.486 1
1 231 . 9 1 1 A 27 27 ASP N N 27 116.153 118.762 -2.609 1
1 232 . 9 1 1 A 27 27 ASP H H 27 6.677 8.073 -1.396 1
1 233 . 9 1 1 A 27 27 ASP CA C 27 56.775 57.570 -0.795 1
1 234 . 9 1 1 A 27 27 ASP HA H 27 4.419 4.214 0.205 1
1 235 . 9 1 1 A 27 27 ASP CB C 27 40.901 41.655 -0.754 1
1 237 . 9 1 1 A 27 27 ASP C C 27 178.564 177.953 0.611 1
1 239 . 9 1 1 A 28 28 LEU N N 28 122.965 120.171 2.794 1
1 240 . 9 1 1 A 28 28 LEU H H 28 7.010 7.723 -0.713 1
1 241 . 9 1 1 A 28 28 LEU CA C 28 57.793 57.580 0.213 1
1 242 . 9 1 1 A 28 28 LEU HA H 28 3.620 3.314 0.306 1
1 243 . 9 1 1 A 28 28 LEU CB C 28 40.261 41.559 -1.298 1
1 255 . 9 1 1 A 28 28 LEU C C 28 177.807 178.270 -0.463 1
1 257 . 9 1 1 A 29 29 ASP N N 29 120.296 117.605 2.691 1
1 258 . 9 1 1 A 29 29 ASP H H 29 8.371 8.688 -0.317 1
1 259 . 9 1 1 A 29 29 ASP CA C 29 57.703 57.363 0.340 1
1 260 . 9 1 1 A 29 29 ASP HA H 29 4.299 4.200 0.099 1
1 261 . 9 1 1 A 29 29 ASP CB C 29 39.968 40.601 -0.633 1
1 263 . 9 1 1 A 29 29 ASP C C 29 179.252 178.603 0.649 1
1 265 . 9 1 1 A 30 30 PHE N N 30 118.906 122.103 -3.197 1
1 266 . 9 1 1 A 30 30 PHE H H 30 7.830 7.593 0.237 1
1 267 . 9 1 1 A 30 30 PHE CA C 30 60.984 60.053 0.931 1
1 268 . 9 1 1 A 30 30 PHE HA H 30 4.238 4.157 0.081 1
1 269 . 9 1 1 A 30 30 PHE CB C 30 38.859 39.635 -0.776 1
1 281 . 9 1 1 A 30 30 PHE C C 30 178.386 177.436 0.950 1
1 283 . 9 1 1 A 31 31 HIS N N 31 119.537 118.563 0.974 1
1 284 . 9 1 1 A 31 31 HIS H H 31 7.773 8.419 -0.646 1
1 285 . 9 1 1 A 31 31 HIS CA C 31 58.968 59.895 -0.927 1
1 286 . 9 1 1 A 31 31 HIS HA H 31 4.244 4.250 -0.006 1
1 287 . 9 1 1 A 31 31 HIS CB C 31 28.055 29.709 -1.654 1
1 293 . 9 1 1 A 31 31 HIS C C 31 176.042 177.365 -1.323 1
1 295 . 9 1 1 A 32 32 GLN N N 32 114.850 117.326 -2.476 1
1 296 . 9 1 1 A 32 32 GLN H H 32 8.297 8.149 0.148 1
1 297 . 9 1 1 A 32 32 GLN CA C 32 59.097 58.968 0.129 1
1 298 . 9 1 1 A 32 32 GLN HA H 32 3.694 3.783 -0.089 1
1 299 . 9 1 1 A 32 32 GLN CB C 32 28.158 28.289 -0.131 1
1 306 . 9 1 1 A 32 32 GLN C C 32 177.287 178.702 -1.415 1
1 309 . 9 1 1 A 33 33 ARG N N 33 117.557 120.097 -2.540 1
1 310 . 9 1 1 A 33 33 ARG H H 33 7.132 8.002 -0.870 1
1 311 . 9 1 1 A 33 33 ARG CA C 33 58.358 58.989 -0.631 1
1 312 . 9 1 1 A 33 33 ARG HA H 33 4.101 3.883 0.218 1
1 313 . 9 1 1 A 33 33 ARG CB C 33 29.730 29.603 0.127 1
1 319 . 9 1 1 A 33 33 ARG C C 33 178.499 178.754 -0.255 1
1 323 . 9 1 1 A 34 34 VAL N N 34 116.405 116.835 -0.430 1
1 324 . 9 1 1 A 34 34 VAL H H 34 7.885 7.819 0.066 1
1 325 . 9 1 1 A 34 34 VAL CA C 34 63.968 65.343 -1.375 1
1 326 . 9 1 1 A 34 34 VAL HA H 34 3.874 3.668 0.206 1
1 327 . 9 1 1 A 34 34 VAL CB C 34 31.122 31.255 -0.133 1
1 337 . 9 1 1 A 34 34 VAL C C 34 177.300 178.067 -0.767 1
1 338 . 9 1 1 A 35 35 HIS N N 35 117.405 119.748 -2.343 1
1 339 . 9 1 1 A 35 35 HIS H H 35 7.235 7.469 -0.234 1
1 340 . 9 1 1 A 35 35 HIS CA C 35 55.330 59.147 -3.817 1
1 341 . 9 1 1 A 35 35 HIS HA H 35 4.857 4.292 0.565 1
1 342 . 9 1 1 A 35 35 HIS CB C 35 28.661 30.615 -1.954 1
1 348 . 9 1 1 A 35 35 HIS C C 35 175.854 176.081 -0.227 1
1 350 . 9 1 1 A 36 36 THR N N 36 112.155 113.279 -1.124 1
1 351 . 9 1 1 A 36 36 THR H H 36 7.788 7.720 0.068 1
1 352 . 9 1 1 A 36 36 THR CA C 36 62.772 62.629 0.143 1
1 353 . 9 1 1 A 36 36 THR HA H 36 4.328 4.410 -0.082 1
1 354 . 9 1 1 A 36 36 THR CB C 36 69.799 69.467 0.332 1
1 360 . 9 1 1 A 36 36 THR C C 36 175.542 173.924 1.618 1
1 361 . 9 1 1 A 37 37 GLY N N 37 110.545 113.971 -3.426 1
1 362 . 9 1 1 A 37 37 GLY H H 37 8.233 8.371 -0.138 1
1 363 . 9 1 1 A 37 37 GLY CA C 37 45.526 44.689 0.837 1
1 364 . 9 1 1 A 37 37 GLY HA3 H 37 4.024 4.129 -0.105 1
1 365 . 9 1 1 A 37 37 GLY C C 37 174.293 172.587 1.706 1
1 366 . 9 1 1 A 37 37 GLY HA2 H 37 3.942 4.122 -0.180 1
1 367 . 9 1 1 A 38 38 GLU N N 38 120.757 123.869 -3.112 1
1 368 . 9 1 1 A 38 38 GLU H H 38 8.087 8.411 -0.324 1
1 369 . 9 1 1 A 38 38 GLU CA C 38 56.756 55.450 1.306 1
1 370 . 9 1 1 A 38 38 GLU HA H 38 4.226 4.883 -0.657 1
1 371 . 9 1 1 A 38 38 GLU CB C 38 30.420 30.701 -0.281 1
1 375 . 9 1 1 A 38 38 GLU C C 38 176.480 175.670 0.810 1
1 378 . 9 1 1 A 39 39 LYS N N 39 122.154 126.957 -4.803 1
1 379 . 9 1 1 A 39 39 LYS H H 39 8.322 8.935 -0.613 1
1 380 . 9 1 1 A 39 39 LYS CA C 39 56.239 57.475 -1.236 1
1 381 . 9 1 1 A 39 39 LYS HA H 39 4.315 4.453 -0.138 1
1 382 . 9 1 1 A 39 39 LYS CB C 39 32.799 34.634 -1.835 1
1 390 . 9 1 1 A 39 39 LYS C C 39 176.535 176.128 0.407 1
1 395 . 9 1 1 A 40 40 LEU N N 40 123.630 116.421 7.209 1
1 396 . 9 1 1 A 40 40 LEU H H 40 8.299 7.673 0.626 1
1 397 . 9 1 1 A 40 40 LEU CA C 40 55.167 53.117 2.050 1
1 398 . 9 1 1 A 40 40 LEU HA H 40 4.398 4.850 -0.452 1
1 399 . 9 1 1 A 40 40 LEU CB C 40 42.364 43.872 -1.508 1
1 411 . 9 1 1 A 40 40 LEU C C 40 177.392 176.085 1.307 1
1 413 . 9 1 1 A 41 41 SER N N 41 116.506 117.915 -1.409 1
1 414 . 9 1 1 A 41 41 SER H H 41 8.307 8.640 -0.333 1
1 415 . 9 1 1 A 41 41 SER CA C 41 58.290 57.556 0.734 1
1 416 . 9 1 1 A 41 41 SER HA H 41 4.449 4.593 -0.144 1
1 417 . 9 1 1 A 41 41 SER CB C 41 64.054 64.806 -0.752 1
1 419 . 9 1 1 A 41 41 SER C C 41 174.470 173.828 0.642 1
1 421 . 9 1 1 A 42 42 GLY N N 42 110.630 109.902 0.728 1
1 422 . 9 1 1 A 42 42 GLY H H 42 8.215 8.169 0.046 1
1 423 . 9 1 1 A 42 42 GLY CA C 42 44.768 45.948 -1.180 1
1 424 . 9 1 1 A 42 42 GLY HA3 H 42 4.145 4.036 0.109 1
1 425 . 9 1 1 A 42 42 GLY C C 42 171.726 175.095 -3.369 1
1 426 . 9 1 1 A 42 42 GLY HA2 H 42 4.145 4.035 0.110 1
1 427 . 9 1 1 A 43 43 PRO CA C 43 63.300 63.632 -0.332 1
1 428 . 9 1 1 A 43 43 PRO HA H 43 4.487 4.464 0.023 1
1 429 . 9 1 1 A 43 43 PRO CB C 43 32.225 31.845 0.380 1
1 435 . 9 1 1 A 43 43 PRO C C 43 177.377 176.364 1.013 1
1 439 . 9 1 1 A 44 44 SER N N 44 116.384 117.142 -0.758 1
1 440 . 9 1 1 A 44 44 SER H H 44 8.538 7.691 0.847 1
1 441 . 9 1 1 A 44 44 SER CA C 44 58.396 60.220 -1.824 1
1 442 . 9 1 1 A 44 44 SER HA H 44 4.462 4.353 0.109 1
1 443 . 9 1 1 A 44 44 SER CB C 44 63.785 63.834 -0.049 1
1 445 . 9 1 1 A 44 44 SER C C 44 174.636 175.696 -1.060 1
1 447 . 9 1 1 A 45 45 SER N N 45 117.830 120.358 -2.528 1
1 448 . 9 1 1 A 45 45 SER H H 45 8.331 8.800 -0.469 1
1 449 . 9 1 1 A 45 45 SER CA C 45 58.388 62.513 -4.125 1
1 450 . 9 1 1 A 45 45 SER HA H 45 4.452 4.065 0.387 1
1 451 . 9 1 1 A 45 45 SER CB C 45 64.109 63.154 0.955 1
1 453 . 9 1 1 A 45 45 SER C C 45 173.898 175.449 -1.551 1
1 4 . 10 1 1 A 9 9 GLY CA C 9 45.254 45.785 -0.531 1
1 5 . 10 1 1 A 9 9 GLY HA3 H 9 3.953 4.026 -0.073 1
1 6 . 10 1 1 A 9 9 GLY C C 9 174.042 171.816 2.226 1
1 7 . 10 1 1 A 9 9 GLY HA2 H 9 3.953 4.025 -0.072 1
1 8 . 10 1 1 A 10 10 GLU N N 10 120.168 125.737 -5.569 1
1 9 . 10 1 1 A 10 10 GLU H H 10 8.189 8.687 -0.498 1
1 10 . 10 1 1 A 10 10 GLU CA C 10 56.864 55.490 1.374 1
1 11 . 10 1 1 A 10 10 GLU HA H 10 4.190 4.710 -0.520 1
1 12 . 10 1 1 A 10 10 GLU CB C 10 30.408 31.142 -0.734 1
1 16 . 10 1 1 A 10 10 GLU C C 10 176.310 176.149 0.161 1
1 19 . 10 1 1 A 11 11 LYS N N 11 121.384 122.349 -0.965 1
1 20 . 10 1 1 A 11 11 LYS H H 11 8.303 8.883 -0.580 1
1 21 . 10 1 1 A 11 11 LYS CA C 11 53.617 53.673 -0.056 1
1 22 . 10 1 1 A 11 11 LYS HA H 11 4.442 4.607 -0.165 1
1 23 . 10 1 1 A 11 11 LYS CB C 11 32.516 32.285 0.231 1
1 31 . 10 1 1 A 11 11 LYS C C 11 174.008 176.517 -2.509 1
1 36 . 10 1 1 A 12 12 PRO CA C 12 63.810 64.930 -1.120 1
1 37 . 10 1 1 A 12 12 PRO HA H 12 4.209 4.296 -0.087 1
1 38 . 10 1 1 A 12 12 PRO CB C 12 32.136 31.640 0.496 1
1 44 . 10 1 1 A 12 12 PRO C C 12 176.465 175.819 0.646 1
1 48 . 10 1 1 A 13 13 TYR N N 13 118.430 118.304 0.126 1
1 49 . 10 1 1 A 13 13 TYR H H 13 7.828 7.286 0.542 1
1 50 . 10 1 1 A 13 13 TYR CA C 13 57.575 57.445 0.130 1
1 51 . 10 1 1 A 13 13 TYR HA H 13 4.633 5.024 -0.391 1
1 52 . 10 1 1 A 13 13 TYR CB C 13 38.137 40.890 -2.753 1
1 62 . 10 1 1 A 13 13 TYR C C 13 174.444 175.382 -0.938 1
1 64 . 10 1 1 A 14 14 LYS N N 14 124.304 121.019 3.285 1
1 65 . 10 1 1 A 14 14 LYS H H 14 8.454 8.910 -0.456 1
1 66 . 10 1 1 A 14 14 LYS CA C 14 54.800 54.184 0.616 1
1 67 . 10 1 1 A 14 14 LYS HA H 14 5.039 5.360 -0.321 1
1 68 . 10 1 1 A 14 14 LYS CB C 14 35.164 36.288 -1.124 1
1 76 . 10 1 1 A 14 14 LYS C C 14 175.455 175.255 0.200 1
1 81 . 10 1 1 A 15 15 CYS N N 15 126.669 123.368 3.301 1
1 82 . 10 1 1 A 15 15 CYS H H 15 9.138 9.169 -0.031 1
1 83 . 10 1 1 A 15 15 CYS CA C 15 59.488 59.914 -0.426 1
1 84 . 10 1 1 A 15 15 CYS HA H 15 4.611 4.638 -0.027 1
1 85 . 10 1 1 A 15 15 CYS CB C 15 29.705 28.498 1.207 1
1 87 . 10 1 1 A 15 15 CYS C C 15 177.944 175.059 2.885 1
1 89 . 10 1 1 A 16 16 VAL N N 16 130.449 125.126 5.323 1
1 90 . 10 1 1 A 16 16 VAL H H 16 9.093 8.588 0.505 1
1 91 . 10 1 1 A 16 16 VAL CA C 16 64.724 63.283 1.441 1
1 92 . 10 1 1 A 16 16 VAL HA H 16 3.962 4.210 -0.248 1
1 93 . 10 1 1 A 16 16 VAL CB C 16 31.834 32.879 -1.045 1
1 103 . 10 1 1 A 16 16 VAL C C 16 176.285 177.457 -1.172 1
1 104 . 10 1 1 A 17 17 GLU N N 17 121.787 120.616 1.171 1
1 105 . 10 1 1 A 17 17 GLU H H 17 8.559 7.541 1.018 1
1 106 . 10 1 1 A 17 17 GLU CA C 17 58.471 58.562 -0.091 1
1 107 . 10 1 1 A 17 17 GLU HA H 17 4.214 4.045 0.169 1
1 108 . 10 1 1 A 17 17 GLU CB C 17 29.377 29.642 -0.265 1
1 112 . 10 1 1 A 17 17 GLU C C 17 177.492 177.838 -0.346 1
1 115 . 10 1 1 A 18 18 CYS N N 18 114.939 115.049 -0.110 1
1 116 . 10 1 1 A 18 18 CYS H H 18 8.082 8.008 0.074 1
1 117 . 10 1 1 A 18 18 CYS CA C 18 58.471 59.493 -1.022 1
1 118 . 10 1 1 A 18 18 CYS HA H 18 5.192 4.735 0.457 1
1 119 . 10 1 1 A 18 18 CYS CB C 18 32.509 30.250 2.259 1
1 121 . 10 1 1 A 18 18 CYS C C 18 176.460 175.664 0.796 1
1 123 . 10 1 1 A 19 19 GLY N N 19 113.538 110.348 3.190 1
1 124 . 10 1 1 A 19 19 GLY H H 19 8.196 8.141 0.055 1
1 125 . 10 1 1 A 19 19 GLY CA C 19 46.242 45.115 1.127 1
1 126 . 10 1 1 A 19 19 GLY HA3 H 19 4.259 4.061 0.198 1
1 127 . 10 1 1 A 19 19 GLY C C 19 173.676 174.616 -0.940 1
1 128 . 10 1 1 A 19 19 GLY HA2 H 19 3.798 4.054 -0.256 1
1 129 . 10 1 1 A 20 20 LYS N N 20 123.263 122.683 0.580 1
1 130 . 10 1 1 A 20 20 LYS H H 20 7.926 7.549 0.377 1
1 131 . 10 1 1 A 20 20 LYS CA C 20 58.523 56.813 1.710 1
1 132 . 10 1 1 A 20 20 LYS HA H 20 3.981 4.234 -0.253 1
1 133 . 10 1 1 A 20 20 LYS CB C 20 33.810 33.487 0.323 1
1 141 . 10 1 1 A 20 20 LYS C C 20 175.052 175.824 -0.772 1
1 146 . 10 1 1 A 21 21 GLY N N 21 108.411 111.272 -2.861 1
1 147 . 10 1 1 A 21 21 GLY H H 21 7.976 8.356 -0.380 1
1 148 . 10 1 1 A 21 21 GLY CA C 21 44.194 44.290 -0.096 1
1 149 . 10 1 1 A 21 21 GLY HA3 H 21 4.999 4.367 0.632 1
1 150 . 10 1 1 A 21 21 GLY C C 21 172.339 171.427 0.912 1
1 151 . 10 1 1 A 21 21 GLY HA2 H 21 3.313 4.262 -0.949 1
1 152 . 10 1 1 A 22 22 TYR N N 22 118.701 123.611 -4.910 1
1 153 . 10 1 1 A 22 22 TYR H H 22 8.712 9.046 -0.334 1
1 154 . 10 1 1 A 22 22 TYR CA C 22 58.193 56.473 1.720 1
1 155 . 10 1 1 A 22 22 TYR HA H 22 4.627 5.065 -0.438 1
1 156 . 10 1 1 A 22 22 TYR CB C 22 43.318 41.612 1.706 1
1 166 . 10 1 1 A 22 22 TYR C C 22 175.114 176.260 -1.146 1
1 168 . 10 1 1 A 23 23 LYS N N 23 120.476 123.685 -3.209 1
1 169 . 10 1 1 A 23 23 LYS H H 23 9.060 8.700 0.360 1
1 170 . 10 1 1 A 23 23 LYS CA C 23 58.595 58.350 0.245 1
1 171 . 10 1 1 A 23 23 LYS HA H 23 4.450 4.322 0.128 1
1 172 . 10 1 1 A 23 23 LYS CB C 23 33.830 32.781 1.049 1
1 180 . 10 1 1 A 23 23 LYS C C 23 176.227 177.146 -0.919 1
1 185 . 10 1 1 A 24 24 ARG N N 24 114.342 120.191 -5.849 1
1 186 . 10 1 1 A 24 24 ARG H H 24 7.929 7.945 -0.016 1
1 187 . 10 1 1 A 24 24 ARG CA C 24 53.954 54.924 -0.970 1
1 188 . 10 1 1 A 24 24 ARG HA H 24 4.786 4.648 0.138 1
1 189 . 10 1 1 A 24 24 ARG CB C 24 32.890 31.660 1.230 1
1 195 . 10 1 1 A 24 24 ARG C C 24 176.136 175.938 0.198 1
1 199 . 10 1 1 A 25 25 ARG N N 25 127.212 127.068 0.144 1
1 200 . 10 1 1 A 25 25 ARG H H 25 8.379 8.103 0.276 1
1 201 . 10 1 1 A 25 25 ARG CA C 25 58.968 59.252 -0.284 1
1 202 . 10 1 1 A 25 25 ARG HA H 25 3.047 3.401 -0.354 1
1 203 . 10 1 1 A 25 25 ARG CB C 25 28.874 29.299 -0.425 1
1 209 . 10 1 1 A 25 25 ARG C C 25 178.039 177.781 0.258 1
1 213 . 10 1 1 A 26 26 LEU N N 26 117.424 120.517 -3.093 1
1 214 . 10 1 1 A 26 26 LEU H H 26 8.321 8.044 0.277 1
1 215 . 10 1 1 A 26 26 LEU CA C 26 57.922 58.085 -0.163 1
1 216 . 10 1 1 A 26 26 LEU HA H 26 4.008 3.938 0.070 1
1 217 . 10 1 1 A 26 26 LEU CB C 26 42.295 41.680 0.615 1
1 229 . 10 1 1 A 26 26 LEU C C 26 178.591 178.000 0.591 1
1 231 . 10 1 1 A 27 27 ASP N N 27 116.153 118.061 -1.908 1
1 232 . 10 1 1 A 27 27 ASP H H 27 6.677 8.416 -1.739 1
1 233 . 10 1 1 A 27 27 ASP CA C 27 56.775 57.019 -0.244 1
1 234 . 10 1 1 A 27 27 ASP HA H 27 4.419 4.433 -0.014 1
1 235 . 10 1 1 A 27 27 ASP CB C 27 40.901 40.673 0.228 1
1 237 . 10 1 1 A 27 27 ASP C C 27 178.564 178.599 -0.035 1
1 239 . 10 1 1 A 28 28 LEU N N 28 122.965 121.190 1.775 1
1 240 . 10 1 1 A 28 28 LEU H H 28 7.010 7.489 -0.479 1
1 241 . 10 1 1 A 28 28 LEU CA C 28 57.793 58.009 -0.216 1
1 242 . 10 1 1 A 28 28 LEU HA H 28 3.620 3.171 0.449 1
1 243 . 10 1 1 A 28 28 LEU CB C 28 40.261 41.434 -1.173 1
1 255 . 10 1 1 A 28 28 LEU C C 28 177.807 177.980 -0.173 1
1 257 . 10 1 1 A 29 29 ASP N N 29 120.296 118.808 1.488 1
1 258 . 10 1 1 A 29 29 ASP H H 29 8.371 8.432 -0.061 1
1 259 . 10 1 1 A 29 29 ASP CA C 29 57.703 57.088 0.615 1
1 260 . 10 1 1 A 29 29 ASP HA H 29 4.299 4.285 0.014 1
1 261 . 10 1 1 A 29 29 ASP CB C 29 39.968 41.093 -1.125 1
1 263 . 10 1 1 A 29 29 ASP C C 29 179.252 178.288 0.964 1
1 265 . 10 1 1 A 30 30 PHE N N 30 118.906 119.655 -0.749 1
1 266 . 10 1 1 A 30 30 PHE H H 30 7.830 7.699 0.131 1
1 267 . 10 1 1 A 30 30 PHE CA C 30 60.984 60.088 0.896 1
1 268 . 10 1 1 A 30 30 PHE HA H 30 4.238 4.187 0.051 1
1 269 . 10 1 1 A 30 30 PHE CB C 30 38.859 39.348 -0.489 1
1 281 . 10 1 1 A 30 30 PHE C C 30 178.386 177.432 0.954 1
1 283 . 10 1 1 A 31 31 HIS N N 31 119.537 118.752 0.785 1
1 284 . 10 1 1 A 31 31 HIS H H 31 7.773 8.498 -0.725 1
1 285 . 10 1 1 A 31 31 HIS CA C 31 58.968 59.994 -1.026 1
1 286 . 10 1 1 A 31 31 HIS HA H 31 4.244 4.322 -0.078 1
1 287 . 10 1 1 A 31 31 HIS CB C 31 28.055 29.767 -1.712 1
1 293 . 10 1 1 A 31 31 HIS C C 31 176.042 177.009 -0.967 1
1 295 . 10 1 1 A 32 32 GLN N N 32 114.850 117.328 -2.478 1
1 296 . 10 1 1 A 32 32 GLN H H 32 8.297 8.197 0.100 1
1 297 . 10 1 1 A 32 32 GLN CA C 32 59.097 59.046 0.051 1
1 298 . 10 1 1 A 32 32 GLN HA H 32 3.694 3.780 -0.086 1
1 299 . 10 1 1 A 32 32 GLN CB C 32 28.158 28.232 -0.074 1
1 306 . 10 1 1 A 32 32 GLN C C 32 177.287 178.537 -1.250 1
1 309 . 10 1 1 A 33 33 ARG N N 33 117.557 120.258 -2.701 1
1 310 . 10 1 1 A 33 33 ARG H H 33 7.132 7.994 -0.862 1
1 311 . 10 1 1 A 33 33 ARG CA C 33 58.358 59.008 -0.650 1
1 312 . 10 1 1 A 33 33 ARG HA H 33 4.101 3.894 0.207 1
1 313 . 10 1 1 A 33 33 ARG CB C 33 29.730 29.725 0.005 1
1 319 . 10 1 1 A 33 33 ARG C C 33 178.499 178.462 0.037 1
1 323 . 10 1 1 A 34 34 VAL N N 34 116.405 117.038 -0.633 1
1 324 . 10 1 1 A 34 34 VAL H H 34 7.885 8.002 -0.117 1
1 325 . 10 1 1 A 34 34 VAL CA C 34 63.968 65.548 -1.580 1
1 326 . 10 1 1 A 34 34 VAL HA H 34 3.874 3.695 0.179 1
1 327 . 10 1 1 A 34 34 VAL CB C 34 31.122 31.246 -0.124 1
1 337 . 10 1 1 A 34 34 VAL C C 34 177.300 178.005 -0.705 1
1 338 . 10 1 1 A 35 35 HIS N N 35 117.405 119.888 -2.483 1
1 339 . 10 1 1 A 35 35 HIS H H 35 7.235 7.506 -0.271 1
1 340 . 10 1 1 A 35 35 HIS CA C 35 55.330 59.076 -3.746 1
1 341 . 10 1 1 A 35 35 HIS HA H 35 4.857 4.334 0.523 1
1 342 . 10 1 1 A 35 35 HIS CB C 35 28.661 30.596 -1.935 1
1 348 . 10 1 1 A 35 35 HIS C C 35 175.854 175.663 0.191 1
1 350 . 10 1 1 A 36 36 THR N N 36 112.155 113.073 -0.918 1
1 351 . 10 1 1 A 36 36 THR H H 36 7.788 7.457 0.331 1
1 352 . 10 1 1 A 36 36 THR CA C 36 62.772 61.297 1.475 1
1 353 . 10 1 1 A 36 36 THR HA H 36 4.328 4.605 -0.277 1
1 354 . 10 1 1 A 36 36 THR CB C 36 69.799 70.462 -0.663 1
1 360 . 10 1 1 A 36 36 THR C C 36 175.542 173.779 1.763 1
1 361 . 10 1 1 A 37 37 GLY N N 37 110.545 113.848 -3.303 1
1 362 . 10 1 1 A 37 37 GLY H H 37 8.233 8.347 -0.114 1
1 363 . 10 1 1 A 37 37 GLY CA C 37 45.526 45.970 -0.444 1
1 364 . 10 1 1 A 37 37 GLY HA3 H 37 4.024 4.076 -0.052 1
1 365 . 10 1 1 A 37 37 GLY C C 37 174.293 173.614 0.679 1
1 366 . 10 1 1 A 37 37 GLY HA2 H 37 3.942 4.074 -0.132 1
1 367 . 10 1 1 A 38 38 GLU N N 38 120.757 118.400 2.357 1
1 368 . 10 1 1 A 38 38 GLU H H 38 8.087 8.092 -0.005 1
1 369 . 10 1 1 A 38 38 GLU CA C 38 56.756 55.847 0.909 1
1 370 . 10 1 1 A 38 38 GLU HA H 38 4.226 4.498 -0.272 1
1 371 . 10 1 1 A 38 38 GLU CB C 38 30.420 30.652 -0.232 1
1 375 . 10 1 1 A 38 38 GLU C C 38 176.480 176.096 0.384 1
1 378 . 10 1 1 A 39 39 LYS N N 39 122.154 121.280 0.874 1
1 379 . 10 1 1 A 39 39 LYS H H 39 8.322 8.395 -0.073 1
1 380 . 10 1 1 A 39 39 LYS CA C 39 56.239 55.403 0.836 1
1 381 . 10 1 1 A 39 39 LYS HA H 39 4.315 4.847 -0.532 1
1 382 . 10 1 1 A 39 39 LYS CB C 39 32.799 34.073 -1.274 1
1 390 . 10 1 1 A 39 39 LYS C C 39 176.535 176.610 -0.075 1
1 395 . 10 1 1 A 40 40 LEU N N 40 123.630 120.298 3.332 1
1 396 . 10 1 1 A 40 40 LEU H H 40 8.299 8.614 -0.315 1
1 397 . 10 1 1 A 40 40 LEU CA C 40 55.167 54.842 0.325 1
1 398 . 10 1 1 A 40 40 LEU HA H 40 4.398 4.509 -0.111 1
1 399 . 10 1 1 A 40 40 LEU CB C 40 42.364 43.155 -0.791 1
1 411 . 10 1 1 A 40 40 LEU C C 40 177.392 177.217 0.175 1
1 413 . 10 1 1 A 41 41 SER N N 41 116.506 116.998 -0.492 1
1 414 . 10 1 1 A 41 41 SER H H 41 8.307 7.560 0.747 1
1 415 . 10 1 1 A 41 41 SER CA C 41 58.290 58.770 -0.480 1
1 416 . 10 1 1 A 41 41 SER HA H 41 4.449 4.336 0.113 1
1 417 . 10 1 1 A 41 41 SER CB C 41 64.054 63.441 0.613 1
1 419 . 10 1 1 A 41 41 SER C C 41 174.470 174.623 -0.153 1
1 421 . 10 1 1 A 42 42 GLY N N 42 110.630 111.138 -0.508 1
1 422 . 10 1 1 A 42 42 GLY H H 42 8.215 8.655 -0.440 1
1 423 . 10 1 1 A 42 42 GLY CA C 42 44.768 45.833 -1.065 1
1 424 . 10 1 1 A 42 42 GLY HA3 H 42 4.145 4.508 -0.363 1
1 425 . 10 1 1 A 42 42 GLY C C 42 171.726 173.459 -1.733 1
1 426 . 10 1 1 A 42 42 GLY HA2 H 42 4.145 4.508 -0.363 1
1 427 . 10 1 1 A 43 43 PRO CA C 43 63.300 64.171 -0.871 1
1 428 . 10 1 1 A 43 43 PRO HA H 43 4.487 4.512 -0.025 1
1 429 . 10 1 1 A 43 43 PRO CB C 43 32.225 31.716 0.509 1
1 435 . 10 1 1 A 43 43 PRO C C 43 177.377 177.982 -0.605 1
1 439 . 10 1 1 A 44 44 SER N N 44 116.384 113.158 3.226 1
1 440 . 10 1 1 A 44 44 SER H H 44 8.538 8.168 0.370 1
1 441 . 10 1 1 A 44 44 SER CA C 44 58.396 60.378 -1.982 1
1 442 . 10 1 1 A 44 44 SER HA H 44 4.462 4.521 -0.059 1
1 443 . 10 1 1 A 44 44 SER CB C 44 63.785 64.575 -0.790 1
1 445 . 10 1 1 A 44 44 SER C C 44 174.636 173.929 0.707 1
1 447 . 10 1 1 A 45 45 SER N N 45 117.830 115.546 2.284 1
1 448 . 10 1 1 A 45 45 SER H H 45 8.331 7.828 0.503 1
1 449 . 10 1 1 A 45 45 SER CA C 45 58.388 57.550 0.838 1
1 450 . 10 1 1 A 45 45 SER HA H 45 4.452 4.540 -0.088 1
1 451 . 10 1 1 A 45 45 SER CB C 45 64.109 64.101 0.008 1
1 453 . 10 1 1 A 45 45 SER C C 45 173.898 175.695 -1.797 1
1 4 . 11 1 1 A 9 9 GLY CA C 9 45.254 44.348 0.906 1
1 5 . 11 1 1 A 9 9 GLY HA3 H 9 3.953 4.196 -0.243 1
1 6 . 11 1 1 A 9 9 GLY C C 9 174.042 171.802 2.240 1
1 7 . 11 1 1 A 9 9 GLY HA2 H 9 3.953 4.191 -0.238 1
1 8 . 11 1 1 A 10 10 GLU N N 10 120.168 121.383 -1.215 1
1 9 . 11 1 1 A 10 10 GLU H H 10 8.189 8.539 -0.350 1
1 10 . 11 1 1 A 10 10 GLU CA C 10 56.864 55.089 1.775 1
1 11 . 11 1 1 A 10 10 GLU HA H 10 4.190 4.769 -0.579 1
1 12 . 11 1 1 A 10 10 GLU CB C 10 30.408 31.148 -0.740 1
1 16 . 11 1 1 A 10 10 GLU C C 10 176.310 175.083 1.227 1
1 19 . 11 1 1 A 11 11 LYS N N 11 121.384 127.006 -5.622 1
1 20 . 11 1 1 A 11 11 LYS H H 11 8.303 8.861 -0.558 1
1 21 . 11 1 1 A 11 11 LYS CA C 11 53.617 53.406 0.211 1
1 22 . 11 1 1 A 11 11 LYS HA H 11 4.442 4.727 -0.285 1
1 23 . 11 1 1 A 11 11 LYS CB C 11 32.516 32.995 -0.479 1
1 31 . 11 1 1 A 11 11 LYS C C 11 174.008 176.587 -2.579 1
1 36 . 11 1 1 A 12 12 PRO CA C 12 63.810 64.973 -1.163 1
1 37 . 11 1 1 A 12 12 PRO HA H 12 4.209 4.254 -0.045 1
1 38 . 11 1 1 A 12 12 PRO CB C 12 32.136 31.533 0.603 1
1 44 . 11 1 1 A 12 12 PRO C C 12 176.465 175.879 0.586 1
1 48 . 11 1 1 A 13 13 TYR N N 13 118.430 118.215 0.215 1
1 49 . 11 1 1 A 13 13 TYR H H 13 7.828 7.774 0.054 1
1 50 . 11 1 1 A 13 13 TYR CA C 13 57.575 58.048 -0.473 1
1 51 . 11 1 1 A 13 13 TYR HA H 13 4.633 4.872 -0.239 1
1 52 . 11 1 1 A 13 13 TYR CB C 13 38.137 40.166 -2.029 1
1 62 . 11 1 1 A 13 13 TYR C C 13 174.444 176.097 -1.653 1
1 64 . 11 1 1 A 14 14 LYS N N 14 124.304 121.240 3.064 1
1 65 . 11 1 1 A 14 14 LYS H H 14 8.454 8.954 -0.500 1
1 66 . 11 1 1 A 14 14 LYS CA C 14 54.800 54.118 0.682 1
1 67 . 11 1 1 A 14 14 LYS HA H 14 5.039 4.924 0.115 1
1 68 . 11 1 1 A 14 14 LYS CB C 14 35.164 36.421 -1.257 1
1 76 . 11 1 1 A 14 14 LYS C C 14 175.455 175.262 0.193 1
1 81 . 11 1 1 A 15 15 CYS N N 15 126.669 122.875 3.794 1
1 82 . 11 1 1 A 15 15 CYS H H 15 9.138 8.702 0.436 1
1 83 . 11 1 1 A 15 15 CYS CA C 15 59.488 59.720 -0.232 1
1 84 . 11 1 1 A 15 15 CYS HA H 15 4.611 4.631 -0.020 1
1 85 . 11 1 1 A 15 15 CYS CB C 15 29.705 28.495 1.210 1
1 87 . 11 1 1 A 15 15 CYS C C 15 177.944 175.069 2.875 1
1 89 . 11 1 1 A 16 16 VAL N N 16 130.449 124.927 5.522 1
1 90 . 11 1 1 A 16 16 VAL H H 16 9.093 8.658 0.435 1
1 91 . 11 1 1 A 16 16 VAL CA C 16 64.724 63.266 1.458 1
1 92 . 11 1 1 A 16 16 VAL HA H 16 3.962 4.228 -0.266 1
1 93 . 11 1 1 A 16 16 VAL CB C 16 31.834 32.892 -1.058 1
1 103 . 11 1 1 A 16 16 VAL C C 16 176.285 177.437 -1.152 1
1 104 . 11 1 1 A 17 17 GLU N N 17 121.787 120.614 1.173 1
1 105 . 11 1 1 A 17 17 GLU H H 17 8.559 7.626 0.933 1
1 106 . 11 1 1 A 17 17 GLU CA C 17 58.471 58.587 -0.116 1
1 107 . 11 1 1 A 17 17 GLU HA H 17 4.214 4.072 0.142 1
1 108 . 11 1 1 A 17 17 GLU CB C 17 29.377 29.758 -0.381 1
1 112 . 11 1 1 A 17 17 GLU C C 17 177.492 177.873 -0.381 1
1 115 . 11 1 1 A 18 18 CYS N N 18 114.939 115.232 -0.293 1
1 116 . 11 1 1 A 18 18 CYS H H 18 8.082 7.960 0.122 1
1 117 . 11 1 1 A 18 18 CYS CA C 18 58.471 59.459 -0.988 1
1 118 . 11 1 1 A 18 18 CYS HA H 18 5.192 4.722 0.470 1
1 119 . 11 1 1 A 18 18 CYS CB C 18 32.509 30.317 2.192 1
1 121 . 11 1 1 A 18 18 CYS C C 18 176.460 175.717 0.743 1
1 123 . 11 1 1 A 19 19 GLY N N 19 113.538 110.372 3.166 1
1 124 . 11 1 1 A 19 19 GLY H H 19 8.196 8.069 0.127 1
1 125 . 11 1 1 A 19 19 GLY CA C 19 46.242 45.287 0.955 1
1 126 . 11 1 1 A 19 19 GLY HA3 H 19 4.259 4.029 0.230 1
1 127 . 11 1 1 A 19 19 GLY C C 19 173.676 174.506 -0.830 1
1 128 . 11 1 1 A 19 19 GLY HA2 H 19 3.798 4.023 -0.225 1
1 129 . 11 1 1 A 20 20 LYS N N 20 123.263 122.125 1.138 1
1 130 . 11 1 1 A 20 20 LYS H H 20 7.926 7.531 0.395 1
1 131 . 11 1 1 A 20 20 LYS CA C 20 58.523 56.161 2.362 1
1 132 . 11 1 1 A 20 20 LYS HA H 20 3.981 4.237 -0.256 1
1 133 . 11 1 1 A 20 20 LYS CB C 20 33.810 33.405 0.405 1
1 141 . 11 1 1 A 20 20 LYS C C 20 175.052 175.838 -0.786 1
1 146 . 11 1 1 A 21 21 GLY N N 21 108.411 109.692 -1.281 1
1 147 . 11 1 1 A 21 21 GLY H H 21 7.976 8.306 -0.330 1
1 148 . 11 1 1 A 21 21 GLY CA C 21 44.194 44.403 -0.209 1
1 149 . 11 1 1 A 21 21 GLY HA3 H 21 4.999 4.360 0.639 1
1 150 . 11 1 1 A 21 21 GLY C C 21 172.339 171.374 0.965 1
1 151 . 11 1 1 A 21 21 GLY HA2 H 21 3.313 4.267 -0.954 1
1 152 . 11 1 1 A 22 22 TYR N N 22 118.701 124.000 -5.299 1
1 153 . 11 1 1 A 22 22 TYR H H 22 8.712 9.277 -0.565 1
1 154 . 11 1 1 A 22 22 TYR CA C 22 58.193 56.450 1.743 1
1 155 . 11 1 1 A 22 22 TYR HA H 22 4.627 5.052 -0.425 1
1 156 . 11 1 1 A 22 22 TYR CB C 22 43.318 41.507 1.811 1
1 166 . 11 1 1 A 22 22 TYR C C 22 175.114 176.053 -0.939 1
1 168 . 11 1 1 A 23 23 LYS N N 23 120.476 125.984 -5.508 1
1 169 . 11 1 1 A 23 23 LYS H H 23 9.060 8.920 0.140 1
1 170 . 11 1 1 A 23 23 LYS CA C 23 58.595 59.267 -0.672 1
1 171 . 11 1 1 A 23 23 LYS HA H 23 4.450 4.199 0.251 1
1 172 . 11 1 1 A 23 23 LYS CB C 23 33.830 32.520 1.310 1
1 180 . 11 1 1 A 23 23 LYS C C 23 176.227 176.090 0.137 1
1 185 . 11 1 1 A 24 24 ARG N N 24 114.342 119.211 -4.869 1
1 186 . 11 1 1 A 24 24 ARG H H 24 7.929 7.852 0.077 1
1 187 . 11 1 1 A 24 24 ARG CA C 24 53.954 54.447 -0.493 1
1 188 . 11 1 1 A 24 24 ARG HA H 24 4.786 4.786 0.000 1
1 189 . 11 1 1 A 24 24 ARG CB C 24 32.890 33.124 -0.234 1
1 195 . 11 1 1 A 24 24 ARG C C 24 176.136 175.871 0.265 1
1 199 . 11 1 1 A 25 25 ARG N N 25 127.212 125.396 1.816 1
1 200 . 11 1 1 A 25 25 ARG H H 25 8.379 8.388 -0.009 1
1 201 . 11 1 1 A 25 25 ARG CA C 25 58.968 58.350 0.618 1
1 202 . 11 1 1 A 25 25 ARG HA H 25 3.047 3.389 -0.342 1
1 203 . 11 1 1 A 25 25 ARG CB C 25 28.874 29.293 -0.419 1
1 209 . 11 1 1 A 25 25 ARG C C 25 178.039 177.327 0.712 1
1 213 . 11 1 1 A 26 26 LEU N N 26 117.424 120.789 -3.365 1
1 214 . 11 1 1 A 26 26 LEU H H 26 8.321 8.045 0.276 1
1 215 . 11 1 1 A 26 26 LEU CA C 26 57.922 57.887 0.035 1
1 216 . 11 1 1 A 26 26 LEU HA H 26 4.008 3.988 0.020 1
1 217 . 11 1 1 A 26 26 LEU CB C 26 42.295 41.321 0.974 1
1 229 . 11 1 1 A 26 26 LEU C C 26 178.591 178.059 0.532 1
1 231 . 11 1 1 A 27 27 ASP N N 27 116.153 118.852 -2.699 1
1 232 . 11 1 1 A 27 27 ASP H H 27 6.677 8.073 -1.396 1
1 233 . 11 1 1 A 27 27 ASP CA C 27 56.775 56.903 -0.128 1
1 234 . 11 1 1 A 27 27 ASP HA H 27 4.419 4.359 0.060 1
1 235 . 11 1 1 A 27 27 ASP CB C 27 40.901 40.725 0.176 1
1 237 . 11 1 1 A 27 27 ASP C C 27 178.564 178.541 0.023 1
1 239 . 11 1 1 A 28 28 LEU N N 28 122.965 121.146 1.819 1
1 240 . 11 1 1 A 28 28 LEU H H 28 7.010 7.503 -0.493 1
1 241 . 11 1 1 A 28 28 LEU CA C 28 57.793 57.697 0.096 1
1 242 . 11 1 1 A 28 28 LEU HA H 28 3.620 3.202 0.418 1
1 243 . 11 1 1 A 28 28 LEU CB C 28 40.261 41.204 -0.943 1
1 255 . 11 1 1 A 28 28 LEU C C 28 177.807 178.103 -0.296 1
1 257 . 11 1 1 A 29 29 ASP N N 29 120.296 119.024 1.272 1
1 258 . 11 1 1 A 29 29 ASP H H 29 8.371 8.452 -0.081 1
1 259 . 11 1 1 A 29 29 ASP CA C 29 57.703 57.006 0.697 1
1 260 . 11 1 1 A 29 29 ASP HA H 29 4.299 4.281 0.018 1
1 261 . 11 1 1 A 29 29 ASP CB C 29 39.968 41.416 -1.448 1
1 263 . 11 1 1 A 29 29 ASP C C 29 179.252 178.233 1.019 1
1 265 . 11 1 1 A 30 30 PHE N N 30 118.906 120.170 -1.264 1
1 266 . 11 1 1 A 30 30 PHE H H 30 7.830 7.720 0.110 1
1 267 . 11 1 1 A 30 30 PHE CA C 30 60.984 60.004 0.980 1
1 268 . 11 1 1 A 30 30 PHE HA H 30 4.238 4.154 0.084 1
1 269 . 11 1 1 A 30 30 PHE CB C 30 38.859 39.714 -0.855 1
1 281 . 11 1 1 A 30 30 PHE C C 30 178.386 177.459 0.927 1
1 283 . 11 1 1 A 31 31 HIS N N 31 119.537 118.654 0.883 1
1 284 . 11 1 1 A 31 31 HIS H H 31 7.773 8.393 -0.620 1
1 285 . 11 1 1 A 31 31 HIS CA C 31 58.968 59.873 -0.905 1
1 286 . 11 1 1 A 31 31 HIS HA H 31 4.244 4.273 -0.029 1
1 287 . 11 1 1 A 31 31 HIS CB C 31 28.055 29.915 -1.860 1
1 293 . 11 1 1 A 31 31 HIS C C 31 176.042 177.445 -1.403 1
1 295 . 11 1 1 A 32 32 GLN N N 32 114.850 117.626 -2.776 1
1 296 . 11 1 1 A 32 32 GLN H H 32 8.297 8.119 0.178 1
1 297 . 11 1 1 A 32 32 GLN CA C 32 59.097 58.995 0.102 1
1 298 . 11 1 1 A 32 32 GLN HA H 32 3.694 3.850 -0.156 1
1 299 . 11 1 1 A 32 32 GLN CB C 32 28.158 28.248 -0.090 1
1 306 . 11 1 1 A 32 32 GLN C C 32 177.287 178.784 -1.497 1
1 309 . 11 1 1 A 33 33 ARG N N 33 117.557 120.313 -2.756 1
1 310 . 11 1 1 A 33 33 ARG H H 33 7.132 8.145 -1.013 1
1 311 . 11 1 1 A 33 33 ARG CA C 33 58.358 58.730 -0.372 1
1 312 . 11 1 1 A 33 33 ARG HA H 33 4.101 3.956 0.145 1
1 313 . 11 1 1 A 33 33 ARG CB C 33 29.730 29.765 -0.035 1
1 319 . 11 1 1 A 33 33 ARG C C 33 178.499 178.818 -0.319 1
1 323 . 11 1 1 A 34 34 VAL N N 34 116.405 116.328 0.077 1
1 324 . 11 1 1 A 34 34 VAL H H 34 7.885 7.690 0.195 1
1 325 . 11 1 1 A 34 34 VAL CA C 34 63.968 65.251 -1.283 1
1 326 . 11 1 1 A 34 34 VAL HA H 34 3.874 3.662 0.212 1
1 327 . 11 1 1 A 34 34 VAL CB C 34 31.122 31.186 -0.064 1
1 337 . 11 1 1 A 34 34 VAL C C 34 177.300 178.021 -0.721 1
1 338 . 11 1 1 A 35 35 HIS N N 35 117.405 120.633 -3.228 1
1 339 . 11 1 1 A 35 35 HIS H H 35 7.235 7.595 -0.360 1
1 340 . 11 1 1 A 35 35 HIS CA C 35 55.330 59.651 -4.321 1
1 341 . 11 1 1 A 35 35 HIS HA H 35 4.857 4.239 0.618 1
1 342 . 11 1 1 A 35 35 HIS CB C 35 28.661 30.744 -2.083 1
1 348 . 11 1 1 A 35 35 HIS C C 35 175.854 178.203 -2.349 1
1 350 . 11 1 1 A 36 36 THR N N 36 112.155 112.440 -0.285 1
1 351 . 11 1 1 A 36 36 THR H H 36 7.788 8.022 -0.234 1
1 352 . 11 1 1 A 36 36 THR CA C 36 62.772 63.813 -1.041 1
1 353 . 11 1 1 A 36 36 THR HA H 36 4.328 4.057 0.271 1
1 354 . 11 1 1 A 36 36 THR CB C 36 69.799 69.088 0.711 1
1 360 . 11 1 1 A 36 36 THR C C 36 175.542 175.326 0.216 1
1 361 . 11 1 1 A 37 37 GLY N N 37 110.545 109.084 1.461 1
1 362 . 11 1 1 A 37 37 GLY H H 37 8.233 7.463 0.770 1
1 363 . 11 1 1 A 37 37 GLY CA C 37 45.526 45.503 0.023 1
1 364 . 11 1 1 A 37 37 GLY HA3 H 37 4.024 3.976 0.048 1
1 365 . 11 1 1 A 37 37 GLY C C 37 174.293 174.679 -0.386 1
1 366 . 11 1 1 A 37 37 GLY HA2 H 37 3.942 3.973 -0.031 1
1 367 . 11 1 1 A 38 38 GLU N N 38 120.757 121.788 -1.031 1
1 368 . 11 1 1 A 38 38 GLU H H 38 8.087 8.061 0.026 1
1 369 . 11 1 1 A 38 38 GLU CA C 38 56.756 59.540 -2.784 1
1 370 . 11 1 1 A 38 38 GLU HA H 38 4.226 3.928 0.298 1
1 371 . 11 1 1 A 38 38 GLU CB C 38 30.420 29.249 1.171 1
1 375 . 11 1 1 A 38 38 GLU C C 38 176.480 178.702 -2.222 1
1 378 . 11 1 1 A 39 39 LYS N N 39 122.154 118.762 3.392 1
1 379 . 11 1 1 A 39 39 LYS H H 39 8.322 7.743 0.579 1
1 380 . 11 1 1 A 39 39 LYS CA C 39 56.239 59.260 -3.021 1
1 381 . 11 1 1 A 39 39 LYS HA H 39 4.315 4.024 0.291 1
1 382 . 11 1 1 A 39 39 LYS CB C 39 32.799 32.060 0.739 1
1 390 . 11 1 1 A 39 39 LYS C C 39 176.535 177.408 -0.873 1
1 395 . 11 1 1 A 40 40 LEU N N 40 123.630 120.269 3.361 1
1 396 . 11 1 1 A 40 40 LEU H H 40 8.299 7.505 0.794 1
1 397 . 11 1 1 A 40 40 LEU CA C 40 55.167 55.439 -0.272 1
1 398 . 11 1 1 A 40 40 LEU HA H 40 4.398 4.341 0.057 1
1 399 . 11 1 1 A 40 40 LEU CB C 40 42.364 42.577 -0.213 1
1 411 . 11 1 1 A 40 40 LEU C C 40 177.392 176.134 1.258 1
1 413 . 11 1 1 A 41 41 SER N N 41 116.506 124.115 -7.609 1
1 414 . 11 1 1 A 41 41 SER H H 41 8.307 8.990 -0.683 1
1 415 . 11 1 1 A 41 41 SER CA C 41 58.290 59.404 -1.114 1
1 416 . 11 1 1 A 41 41 SER HA H 41 4.449 4.577 -0.128 1
1 417 . 11 1 1 A 41 41 SER CB C 41 64.054 65.716 -1.662 1
1 419 . 11 1 1 A 41 41 SER C C 41 174.470 174.402 0.068 1
1 421 . 11 1 1 A 42 42 GLY N N 42 110.630 107.789 2.841 1
1 422 . 11 1 1 A 42 42 GLY H H 42 8.215 7.316 0.899 1
1 423 . 11 1 1 A 42 42 GLY CA C 42 44.768 45.580 -0.812 1
1 424 . 11 1 1 A 42 42 GLY HA3 H 42 4.145 4.123 0.022 1
1 425 . 11 1 1 A 42 42 GLY C C 42 171.726 172.163 -0.437 1
1 426 . 11 1 1 A 42 42 GLY HA2 H 42 4.145 4.123 0.022 1
1 427 . 11 1 1 A 43 43 PRO CA C 43 63.300 62.495 0.805 1
1 428 . 11 1 1 A 43 43 PRO HA H 43 4.487 4.641 -0.154 1
1 429 . 11 1 1 A 43 43 PRO CB C 43 32.225 33.292 -1.067 1
1 435 . 11 1 1 A 43 43 PRO C C 43 177.377 175.915 1.462 1
1 439 . 11 1 1 A 44 44 SER N N 44 116.384 113.375 3.009 1
1 440 . 11 1 1 A 44 44 SER H H 44 8.538 8.365 0.173 1
1 441 . 11 1 1 A 44 44 SER CA C 44 58.396 56.913 1.483 1
1 442 . 11 1 1 A 44 44 SER HA H 44 4.462 5.063 -0.601 1
1 443 . 11 1 1 A 44 44 SER CB C 44 63.785 65.970 -2.185 1
1 445 . 11 1 1 A 44 44 SER C C 44 174.636 172.390 2.246 1
1 447 . 11 1 1 A 45 45 SER N N 45 117.830 120.334 -2.504 1
1 448 . 11 1 1 A 45 45 SER H H 45 8.331 8.782 -0.451 1
1 449 . 11 1 1 A 45 45 SER CA C 45 58.388 57.690 0.698 1
1 450 . 11 1 1 A 45 45 SER HA H 45 4.452 4.834 -0.382 1
1 451 . 11 1 1 A 45 45 SER CB C 45 64.109 63.956 0.153 1
1 453 . 11 1 1 A 45 45 SER C C 45 173.898 174.532 -0.634 1
1 4 . 12 1 1 A 9 9 GLY CA C 9 45.254 45.657 -0.403 1
1 5 . 12 1 1 A 9 9 GLY HA3 H 9 3.953 4.188 -0.235 1
1 6 . 12 1 1 A 9 9 GLY C C 9 174.042 174.321 -0.279 1
1 7 . 12 1 1 A 9 9 GLY HA2 H 9 3.953 4.188 -0.235 1
1 8 . 12 1 1 A 10 10 GLU N N 10 120.168 118.120 2.048 1
1 9 . 12 1 1 A 10 10 GLU H H 10 8.189 8.110 0.079 1
1 10 . 12 1 1 A 10 10 GLU CA C 10 56.864 57.226 -0.362 1
1 11 . 12 1 1 A 10 10 GLU HA H 10 4.190 4.035 0.155 1
1 12 . 12 1 1 A 10 10 GLU CB C 10 30.408 28.170 2.238 1
1 16 . 12 1 1 A 10 10 GLU C C 10 176.310 175.711 0.599 1
1 19 . 12 1 1 A 11 11 LYS N N 11 121.384 119.608 1.776 1
1 20 . 12 1 1 A 11 11 LYS H H 11 8.303 7.971 0.332 1
1 21 . 12 1 1 A 11 11 LYS CA C 11 53.617 55.190 -1.573 1
1 22 . 12 1 1 A 11 11 LYS HA H 11 4.442 4.312 0.130 1
1 23 . 12 1 1 A 11 11 LYS CB C 11 32.516 32.097 0.419 1
1 31 . 12 1 1 A 11 11 LYS C C 11 174.008 176.709 -2.701 1
1 36 . 12 1 1 A 12 12 PRO CA C 12 63.810 64.981 -1.171 1
1 37 . 12 1 1 A 12 12 PRO HA H 12 4.209 4.257 -0.048 1
1 38 . 12 1 1 A 12 12 PRO CB C 12 32.136 31.610 0.526 1
1 44 . 12 1 1 A 12 12 PRO C C 12 176.465 175.790 0.675 1
1 48 . 12 1 1 A 13 13 TYR N N 13 118.430 118.271 0.159 1
1 49 . 12 1 1 A 13 13 TYR H H 13 7.828 7.278 0.550 1
1 50 . 12 1 1 A 13 13 TYR CA C 13 57.575 57.555 0.020 1
1 51 . 12 1 1 A 13 13 TYR HA H 13 4.633 5.038 -0.405 1
1 52 . 12 1 1 A 13 13 TYR CB C 13 38.137 40.897 -2.760 1
1 62 . 12 1 1 A 13 13 TYR C C 13 174.444 175.152 -0.708 1
1 64 . 12 1 1 A 14 14 LYS N N 14 124.304 120.845 3.459 1
1 65 . 12 1 1 A 14 14 LYS H H 14 8.454 8.897 -0.443 1
1 66 . 12 1 1 A 14 14 LYS CA C 14 54.800 54.254 0.546 1
1 67 . 12 1 1 A 14 14 LYS HA H 14 5.039 5.396 -0.357 1
1 68 . 12 1 1 A 14 14 LYS CB C 14 35.164 36.687 -1.523 1
1 76 . 12 1 1 A 14 14 LYS C C 14 175.455 174.816 0.639 1
1 81 . 12 1 1 A 15 15 CYS N N 15 126.669 121.514 5.155 1
1 82 . 12 1 1 A 15 15 CYS H H 15 9.138 9.118 0.020 1
1 83 . 12 1 1 A 15 15 CYS CA C 15 59.488 59.138 0.350 1
1 84 . 12 1 1 A 15 15 CYS HA H 15 4.611 4.761 -0.150 1
1 85 . 12 1 1 A 15 15 CYS CB C 15 29.705 29.291 0.414 1
1 87 . 12 1 1 A 15 15 CYS C C 15 177.944 175.012 2.932 1
1 89 . 12 1 1 A 16 16 VAL N N 16 130.449 124.989 5.460 1
1 90 . 12 1 1 A 16 16 VAL H H 16 9.093 8.598 0.495 1
1 91 . 12 1 1 A 16 16 VAL CA C 16 64.724 63.352 1.372 1
1 92 . 12 1 1 A 16 16 VAL HA H 16 3.962 4.198 -0.236 1
1 93 . 12 1 1 A 16 16 VAL CB C 16 31.834 32.764 -0.930 1
1 103 . 12 1 1 A 16 16 VAL C C 16 176.285 177.559 -1.274 1
1 104 . 12 1 1 A 17 17 GLU N N 17 121.787 120.569 1.218 1
1 105 . 12 1 1 A 17 17 GLU H H 17 8.559 7.629 0.930 1
1 106 . 12 1 1 A 17 17 GLU CA C 17 58.471 58.725 -0.254 1
1 107 . 12 1 1 A 17 17 GLU HA H 17 4.214 4.039 0.175 1
1 108 . 12 1 1 A 17 17 GLU CB C 17 29.377 29.788 -0.411 1
1 112 . 12 1 1 A 17 17 GLU C C 17 177.492 177.995 -0.503 1
1 115 . 12 1 1 A 18 18 CYS N N 18 114.939 114.828 0.111 1
1 116 . 12 1 1 A 18 18 CYS H H 18 8.082 7.982 0.100 1
1 117 . 12 1 1 A 18 18 CYS CA C 18 58.471 59.535 -1.064 1
1 118 . 12 1 1 A 18 18 CYS HA H 18 5.192 4.677 0.515 1
1 119 . 12 1 1 A 18 18 CYS CB C 18 32.509 29.882 2.627 1
1 121 . 12 1 1 A 18 18 CYS C C 18 176.460 175.453 1.007 1
1 123 . 12 1 1 A 19 19 GLY N N 19 113.538 110.310 3.228 1
1 124 . 12 1 1 A 19 19 GLY H H 19 8.196 8.221 -0.025 1
1 125 . 12 1 1 A 19 19 GLY CA C 19 46.242 45.239 1.003 1
1 126 . 12 1 1 A 19 19 GLY HA3 H 19 4.259 4.027 0.232 1
1 127 . 12 1 1 A 19 19 GLY C C 19 173.676 174.616 -0.940 1
1 128 . 12 1 1 A 19 19 GLY HA2 H 19 3.798 4.020 -0.222 1
1 129 . 12 1 1 A 20 20 LYS N N 20 123.263 122.509 0.754 1
1 130 . 12 1 1 A 20 20 LYS H H 20 7.926 7.520 0.406 1
1 131 . 12 1 1 A 20 20 LYS CA C 20 58.523 56.559 1.964 1
1 132 . 12 1 1 A 20 20 LYS HA H 20 3.981 4.180 -0.199 1
1 133 . 12 1 1 A 20 20 LYS CB C 20 33.810 33.681 0.129 1
1 141 . 12 1 1 A 20 20 LYS C C 20 175.052 175.680 -0.628 1
1 146 . 12 1 1 A 21 21 GLY N N 21 108.411 111.408 -2.997 1
1 147 . 12 1 1 A 21 21 GLY H H 21 7.976 8.348 -0.372 1
1 148 . 12 1 1 A 21 21 GLY CA C 21 44.194 44.207 -0.013 1
1 149 . 12 1 1 A 21 21 GLY HA3 H 21 4.999 4.279 0.720 1
1 150 . 12 1 1 A 21 21 GLY C C 21 172.339 171.412 0.927 1
1 151 . 12 1 1 A 21 21 GLY HA2 H 21 3.313 4.196 -0.883 1
1 152 . 12 1 1 A 22 22 TYR N N 22 118.701 123.868 -5.167 1
1 153 . 12 1 1 A 22 22 TYR H H 22 8.712 9.317 -0.605 1
1 154 . 12 1 1 A 22 22 TYR CA C 22 58.193 56.861 1.332 1
1 155 . 12 1 1 A 22 22 TYR HA H 22 4.627 5.008 -0.381 1
1 156 . 12 1 1 A 22 22 TYR CB C 22 43.318 41.532 1.786 1
1 166 . 12 1 1 A 22 22 TYR C C 22 175.114 176.114 -1.000 1
1 168 . 12 1 1 A 23 23 LYS N N 23 120.476 125.339 -4.863 1
1 169 . 12 1 1 A 23 23 LYS H H 23 9.060 8.928 0.132 1
1 170 . 12 1 1 A 23 23 LYS CA C 23 58.595 59.085 -0.490 1
1 171 . 12 1 1 A 23 23 LYS HA H 23 4.450 4.240 0.210 1
1 172 . 12 1 1 A 23 23 LYS CB C 23 33.830 32.786 1.044 1
1 180 . 12 1 1 A 23 23 LYS C C 23 176.227 176.029 0.198 1
1 185 . 12 1 1 A 24 24 ARG N N 24 114.342 119.353 -5.011 1
1 186 . 12 1 1 A 24 24 ARG H H 24 7.929 7.843 0.086 1
1 187 . 12 1 1 A 24 24 ARG CA C 24 53.954 54.831 -0.877 1
1 188 . 12 1 1 A 24 24 ARG HA H 24 4.786 4.829 -0.043 1
1 189 . 12 1 1 A 24 24 ARG CB C 24 32.890 33.018 -0.128 1
1 195 . 12 1 1 A 24 24 ARG C C 24 176.136 176.052 0.084 1
1 199 . 12 1 1 A 25 25 ARG N N 25 127.212 126.166 1.046 1
1 200 . 12 1 1 A 25 25 ARG H H 25 8.379 8.509 -0.130 1
1 201 . 12 1 1 A 25 25 ARG CA C 25 58.968 58.766 0.202 1
1 202 . 12 1 1 A 25 25 ARG HA H 25 3.047 3.382 -0.335 1
1 203 . 12 1 1 A 25 25 ARG CB C 25 28.874 29.188 -0.314 1
1 209 . 12 1 1 A 25 25 ARG C C 25 178.039 177.358 0.681 1
1 213 . 12 1 1 A 26 26 LEU N N 26 117.424 120.891 -3.467 1
1 214 . 12 1 1 A 26 26 LEU H H 26 8.321 7.991 0.330 1
1 215 . 12 1 1 A 26 26 LEU CA C 26 57.922 57.834 0.088 1
1 216 . 12 1 1 A 26 26 LEU HA H 26 4.008 4.009 -0.001 1
1 217 . 12 1 1 A 26 26 LEU CB C 26 42.295 41.188 1.107 1
1 229 . 12 1 1 A 26 26 LEU C C 26 178.591 178.061 0.530 1
1 231 . 12 1 1 A 27 27 ASP N N 27 116.153 118.966 -2.813 1
1 232 . 12 1 1 A 27 27 ASP H H 27 6.677 8.101 -1.424 1
1 233 . 12 1 1 A 27 27 ASP CA C 27 56.775 57.048 -0.273 1
1 234 . 12 1 1 A 27 27 ASP HA H 27 4.419 4.386 0.033 1
1 235 . 12 1 1 A 27 27 ASP CB C 27 40.901 40.671 0.230 1
1 237 . 12 1 1 A 27 27 ASP C C 27 178.564 178.639 -0.075 1
1 239 . 12 1 1 A 28 28 LEU N N 28 122.965 120.294 2.671 1
1 240 . 12 1 1 A 28 28 LEU H H 28 7.010 7.517 -0.507 1
1 241 . 12 1 1 A 28 28 LEU CA C 28 57.793 57.470 0.323 1
1 242 . 12 1 1 A 28 28 LEU HA H 28 3.620 3.374 0.246 1
1 243 . 12 1 1 A 28 28 LEU CB C 28 40.261 41.441 -1.180 1
1 255 . 12 1 1 A 28 28 LEU C C 28 177.807 177.832 -0.025 1
1 257 . 12 1 1 A 29 29 ASP N N 29 120.296 119.097 1.199 1
1 258 . 12 1 1 A 29 29 ASP H H 29 8.371 8.455 -0.084 1
1 259 . 12 1 1 A 29 29 ASP CA C 29 57.703 57.100 0.603 1
1 260 . 12 1 1 A 29 29 ASP HA H 29 4.299 4.289 0.010 1
1 261 . 12 1 1 A 29 29 ASP CB C 29 39.968 41.525 -1.557 1
1 263 . 12 1 1 A 29 29 ASP C C 29 179.252 178.281 0.971 1
1 265 . 12 1 1 A 30 30 PHE N N 30 118.906 119.791 -0.885 1
1 266 . 12 1 1 A 30 30 PHE H H 30 7.830 7.646 0.184 1
1 267 . 12 1 1 A 30 30 PHE CA C 30 60.984 60.004 0.980 1
1 268 . 12 1 1 A 30 30 PHE HA H 30 4.238 4.147 0.091 1
1 269 . 12 1 1 A 30 30 PHE CB C 30 38.859 39.677 -0.818 1
1 281 . 12 1 1 A 30 30 PHE C C 30 178.386 177.465 0.921 1
1 283 . 12 1 1 A 31 31 HIS N N 31 119.537 118.757 0.780 1
1 284 . 12 1 1 A 31 31 HIS H H 31 7.773 8.520 -0.747 1
1 285 . 12 1 1 A 31 31 HIS CA C 31 58.968 59.764 -0.796 1
1 286 . 12 1 1 A 31 31 HIS HA H 31 4.244 4.275 -0.031 1
1 287 . 12 1 1 A 31 31 HIS CB C 31 28.055 29.806 -1.751 1
1 293 . 12 1 1 A 31 31 HIS C C 31 176.042 177.438 -1.396 1
1 295 . 12 1 1 A 32 32 GLN N N 32 114.850 117.415 -2.565 1
1 296 . 12 1 1 A 32 32 GLN H H 32 8.297 8.310 -0.013 1
1 297 . 12 1 1 A 32 32 GLN CA C 32 59.097 59.062 0.035 1
1 298 . 12 1 1 A 32 32 GLN HA H 32 3.694 3.900 -0.206 1
1 299 . 12 1 1 A 32 32 GLN CB C 32 28.158 28.273 -0.115 1
1 306 . 12 1 1 A 32 32 GLN C C 32 177.287 178.643 -1.356 1
1 309 . 12 1 1 A 33 33 ARG N N 33 117.557 120.158 -2.601 1
1 310 . 12 1 1 A 33 33 ARG H H 33 7.132 8.074 -0.942 1
1 311 . 12 1 1 A 33 33 ARG CA C 33 58.358 59.053 -0.695 1
1 312 . 12 1 1 A 33 33 ARG HA H 33 4.101 4.194 -0.093 1
1 313 . 12 1 1 A 33 33 ARG CB C 33 29.730 29.606 0.124 1
1 319 . 12 1 1 A 33 33 ARG C C 33 178.499 179.106 -0.607 1
1 323 . 12 1 1 A 34 34 VAL N N 34 116.405 116.440 -0.035 1
1 324 . 12 1 1 A 34 34 VAL H H 34 7.885 7.853 0.032 1
1 325 . 12 1 1 A 34 34 VAL CA C 34 63.968 65.390 -1.422 1
1 326 . 12 1 1 A 34 34 VAL HA H 34 3.874 3.741 0.133 1
1 327 . 12 1 1 A 34 34 VAL CB C 34 31.122 31.196 -0.074 1
1 337 . 12 1 1 A 34 34 VAL C C 34 177.300 177.341 -0.041 1
1 338 . 12 1 1 A 35 35 HIS N N 35 117.405 119.463 -2.058 1
1 339 . 12 1 1 A 35 35 HIS H H 35 7.235 7.418 -0.183 1
1 340 . 12 1 1 A 35 35 HIS CA C 35 55.330 57.855 -2.525 1
1 341 . 12 1 1 A 35 35 HIS HA H 35 4.857 4.418 0.439 1
1 342 . 12 1 1 A 35 35 HIS CB C 35 28.661 31.053 -2.392 1
1 348 . 12 1 1 A 35 35 HIS C C 35 175.854 175.549 0.305 1
1 350 . 12 1 1 A 36 36 THR N N 36 112.155 107.348 4.807 1
1 351 . 12 1 1 A 36 36 THR H H 36 7.788 7.582 0.206 1
1 352 . 12 1 1 A 36 36 THR CA C 36 62.772 62.543 0.229 1
1 353 . 12 1 1 A 36 36 THR HA H 36 4.328 4.260 0.068 1
1 354 . 12 1 1 A 36 36 THR CB C 36 69.799 68.494 1.305 1
1 360 . 12 1 1 A 36 36 THR C C 36 175.542 175.206 0.336 1
1 361 . 12 1 1 A 37 37 GLY N N 37 110.545 114.150 -3.605 1
1 362 . 12 1 1 A 37 37 GLY H H 37 8.233 8.279 -0.046 1
1 363 . 12 1 1 A 37 37 GLY CA C 37 45.526 45.565 -0.039 1
1 364 . 12 1 1 A 37 37 GLY HA3 H 37 4.024 4.078 -0.054 1
1 365 . 12 1 1 A 37 37 GLY C C 37 174.293 174.091 0.202 1
1 366 . 12 1 1 A 37 37 GLY HA2 H 37 3.942 4.069 -0.127 1
1 367 . 12 1 1 A 38 38 GLU N N 38 120.757 119.315 1.442 1
1 368 . 12 1 1 A 38 38 GLU H H 38 8.087 7.928 0.159 1
1 369 . 12 1 1 A 38 38 GLU CA C 38 56.756 55.011 1.745 1
1 370 . 12 1 1 A 38 38 GLU HA H 38 4.226 4.672 -0.446 1
1 371 . 12 1 1 A 38 38 GLU CB C 38 30.420 31.626 -1.206 1
1 375 . 12 1 1 A 38 38 GLU C C 38 176.480 176.277 0.203 1
1 378 . 12 1 1 A 39 39 LYS N N 39 122.154 123.712 -1.558 1
1 379 . 12 1 1 A 39 39 LYS H H 39 8.322 9.036 -0.714 1
1 380 . 12 1 1 A 39 39 LYS CA C 39 56.239 56.072 0.167 1
1 381 . 12 1 1 A 39 39 LYS HA H 39 4.315 4.506 -0.191 1
1 382 . 12 1 1 A 39 39 LYS CB C 39 32.799 31.957 0.842 1
1 390 . 12 1 1 A 39 39 LYS C C 39 176.535 176.719 -0.184 1
1 395 . 12 1 1 A 40 40 LEU N N 40 123.630 119.891 3.739 1
1 396 . 12 1 1 A 40 40 LEU H H 40 8.299 7.651 0.648 1
1 397 . 12 1 1 A 40 40 LEU CA C 40 55.167 56.507 -1.340 1
1 398 . 12 1 1 A 40 40 LEU HA H 40 4.398 4.320 0.078 1
1 399 . 12 1 1 A 40 40 LEU CB C 40 42.364 42.927 -0.563 1
1 411 . 12 1 1 A 40 40 LEU C C 40 177.392 177.207 0.185 1
1 413 . 12 1 1 A 41 41 SER N N 41 116.506 113.343 3.163 1
1 414 . 12 1 1 A 41 41 SER H H 41 8.307 7.931 0.376 1
1 415 . 12 1 1 A 41 41 SER CA C 41 58.290 59.697 -1.407 1
1 416 . 12 1 1 A 41 41 SER HA H 41 4.449 4.242 0.207 1
1 417 . 12 1 1 A 41 41 SER CB C 41 64.054 62.873 1.181 1
1 419 . 12 1 1 A 41 41 SER C C 41 174.470 174.203 0.267 1
1 421 . 12 1 1 A 42 42 GLY N N 42 110.630 113.340 -2.710 1
1 422 . 12 1 1 A 42 42 GLY H H 42 8.215 8.219 -0.004 1
1 423 . 12 1 1 A 42 42 GLY CA C 42 44.768 46.112 -1.344 1
1 424 . 12 1 1 A 42 42 GLY HA3 H 42 4.145 4.032 0.113 1
1 425 . 12 1 1 A 42 42 GLY C C 42 171.726 173.796 -2.070 1
1 426 . 12 1 1 A 42 42 GLY HA2 H 42 4.145 4.031 0.114 1
1 427 . 12 1 1 A 43 43 PRO CA C 43 63.300 62.388 0.912 1
1 428 . 12 1 1 A 43 43 PRO HA H 43 4.487 4.422 0.065 1
1 429 . 12 1 1 A 43 43 PRO CB C 43 32.225 32.812 -0.587 1
1 435 . 12 1 1 A 43 43 PRO C C 43 177.377 177.509 -0.132 1
1 439 . 12 1 1 A 44 44 SER N N 44 116.384 117.330 -0.946 1
1 440 . 12 1 1 A 44 44 SER H H 44 8.538 8.971 -0.433 1
1 441 . 12 1 1 A 44 44 SER CA C 44 58.396 61.345 -2.949 1
1 442 . 12 1 1 A 44 44 SER HA H 44 4.462 4.212 0.250 1
1 443 . 12 1 1 A 44 44 SER CB C 44 63.785 62.976 0.809 1
1 445 . 12 1 1 A 44 44 SER C C 44 174.636 175.333 -0.697 1
1 447 . 12 1 1 A 45 45 SER N N 45 117.830 116.642 1.188 1
1 448 . 12 1 1 A 45 45 SER H H 45 8.331 7.706 0.625 1
1 449 . 12 1 1 A 45 45 SER CA C 45 58.388 58.599 -0.211 1
1 450 . 12 1 1 A 45 45 SER HA H 45 4.452 4.304 0.148 1
1 451 . 12 1 1 A 45 45 SER CB C 45 64.109 64.003 0.106 1
1 453 . 12 1 1 A 45 45 SER C C 45 173.898 175.452 -1.554 1
1 4 . 13 1 1 A 9 9 GLY CA C 9 45.254 45.610 -0.356 1
1 5 . 13 1 1 A 9 9 GLY HA3 H 9 3.953 4.170 -0.217 1
1 6 . 13 1 1 A 9 9 GLY C C 9 174.042 172.613 1.429 1
1 7 . 13 1 1 A 9 9 GLY HA2 H 9 3.953 4.169 -0.216 1
1 8 . 13 1 1 A 10 10 GLU N N 10 120.168 125.342 -5.174 1
1 9 . 13 1 1 A 10 10 GLU H H 10 8.189 8.876 -0.687 1
1 10 . 13 1 1 A 10 10 GLU CA C 10 56.864 56.044 0.820 1
1 11 . 13 1 1 A 10 10 GLU HA H 10 4.190 4.666 -0.476 1
1 12 . 13 1 1 A 10 10 GLU CB C 10 30.408 30.864 -0.456 1
1 16 . 13 1 1 A 10 10 GLU C C 10 176.310 176.270 0.040 1
1 19 . 13 1 1 A 11 11 LYS N N 11 121.384 125.634 -4.250 1
1 20 . 13 1 1 A 11 11 LYS H H 11 8.303 8.970 -0.667 1
1 21 . 13 1 1 A 11 11 LYS CA C 11 53.617 53.954 -0.337 1
1 22 . 13 1 1 A 11 11 LYS HA H 11 4.442 4.630 -0.188 1
1 23 . 13 1 1 A 11 11 LYS CB C 11 32.516 32.248 0.268 1
1 31 . 13 1 1 A 11 11 LYS C C 11 174.008 176.578 -2.570 1
1 36 . 13 1 1 A 12 12 PRO CA C 12 63.810 64.943 -1.133 1
1 37 . 13 1 1 A 12 12 PRO HA H 12 4.209 4.244 -0.035 1
1 38 . 13 1 1 A 12 12 PRO CB C 12 32.136 31.474 0.662 1
1 44 . 13 1 1 A 12 12 PRO C C 12 176.465 175.855 0.610 1
1 48 . 13 1 1 A 13 13 TYR N N 13 118.430 118.211 0.219 1
1 49 . 13 1 1 A 13 13 TYR H H 13 7.828 7.196 0.632 1
1 50 . 13 1 1 A 13 13 TYR CA C 13 57.575 57.821 -0.246 1
1 51 . 13 1 1 A 13 13 TYR HA H 13 4.633 4.904 -0.271 1
1 52 . 13 1 1 A 13 13 TYR CB C 13 38.137 40.352 -2.215 1
1 62 . 13 1 1 A 13 13 TYR C C 13 174.444 175.689 -1.245 1
1 64 . 13 1 1 A 14 14 LYS N N 14 124.304 121.233 3.071 1
1 65 . 13 1 1 A 14 14 LYS H H 14 8.454 8.935 -0.481 1
1 66 . 13 1 1 A 14 14 LYS CA C 14 54.800 54.297 0.503 1
1 67 . 13 1 1 A 14 14 LYS HA H 14 5.039 5.214 -0.175 1
1 68 . 13 1 1 A 14 14 LYS CB C 14 35.164 36.213 -1.049 1
1 76 . 13 1 1 A 14 14 LYS C C 14 175.455 175.289 0.166 1
1 81 . 13 1 1 A 15 15 CYS N N 15 126.669 123.785 2.884 1
1 82 . 13 1 1 A 15 15 CYS H H 15 9.138 8.777 0.361 1
1 83 . 13 1 1 A 15 15 CYS CA C 15 59.488 59.800 -0.312 1
1 84 . 13 1 1 A 15 15 CYS HA H 15 4.611 4.564 0.047 1
1 85 . 13 1 1 A 15 15 CYS CB C 15 29.705 28.902 0.803 1
1 87 . 13 1 1 A 15 15 CYS C C 15 177.944 175.245 2.699 1
1 89 . 13 1 1 A 16 16 VAL N N 16 130.449 124.810 5.639 1
1 90 . 13 1 1 A 16 16 VAL H H 16 9.093 8.669 0.424 1
1 91 . 13 1 1 A 16 16 VAL CA C 16 64.724 63.305 1.419 1
1 92 . 13 1 1 A 16 16 VAL HA H 16 3.962 4.191 -0.229 1
1 93 . 13 1 1 A 16 16 VAL CB C 16 31.834 32.785 -0.951 1
1 103 . 13 1 1 A 16 16 VAL C C 16 176.285 177.493 -1.208 1
1 104 . 13 1 1 A 17 17 GLU N N 17 121.787 120.604 1.183 1
1 105 . 13 1 1 A 17 17 GLU H H 17 8.559 7.574 0.985 1
1 106 . 13 1 1 A 17 17 GLU CA C 17 58.471 58.592 -0.121 1
1 107 . 13 1 1 A 17 17 GLU HA H 17 4.214 4.019 0.195 1
1 108 . 13 1 1 A 17 17 GLU CB C 17 29.377 29.569 -0.192 1
1 112 . 13 1 1 A 17 17 GLU C C 17 177.492 177.754 -0.262 1
1 115 . 13 1 1 A 18 18 CYS N N 18 114.939 115.165 -0.226 1
1 116 . 13 1 1 A 18 18 CYS H H 18 8.082 8.056 0.026 1
1 117 . 13 1 1 A 18 18 CYS CA C 18 58.471 59.512 -1.041 1
1 118 . 13 1 1 A 18 18 CYS HA H 18 5.192 4.697 0.495 1
1 119 . 13 1 1 A 18 18 CYS CB C 18 32.509 30.102 2.407 1
1 121 . 13 1 1 A 18 18 CYS C C 18 176.460 175.574 0.886 1
1 123 . 13 1 1 A 19 19 GLY N N 19 113.538 110.367 3.171 1
1 124 . 13 1 1 A 19 19 GLY H H 19 8.196 8.126 0.070 1
1 125 . 13 1 1 A 19 19 GLY CA C 19 46.242 45.219 1.023 1
1 126 . 13 1 1 A 19 19 GLY HA3 H 19 4.259 4.011 0.248 1
1 127 . 13 1 1 A 19 19 GLY C C 19 173.676 174.606 -0.930 1
1 128 . 13 1 1 A 19 19 GLY HA2 H 19 3.798 4.004 -0.206 1
1 129 . 13 1 1 A 20 20 LYS N N 20 123.263 122.373 0.890 1
1 130 . 13 1 1 A 20 20 LYS H H 20 7.926 7.568 0.358 1
1 131 . 13 1 1 A 20 20 LYS CA C 20 58.523 56.211 2.312 1
1 132 . 13 1 1 A 20 20 LYS HA H 20 3.981 4.284 -0.303 1
1 133 . 13 1 1 A 20 20 LYS CB C 20 33.810 33.671 0.139 1
1 141 . 13 1 1 A 20 20 LYS C C 20 175.052 175.837 -0.785 1
1 146 . 13 1 1 A 21 21 GLY N N 21 108.411 110.108 -1.697 1
1 147 . 13 1 1 A 21 21 GLY H H 21 7.976 8.386 -0.410 1
1 148 . 13 1 1 A 21 21 GLY CA C 21 44.194 44.379 -0.185 1
1 149 . 13 1 1 A 21 21 GLY HA3 H 21 4.999 4.500 0.499 1
1 150 . 13 1 1 A 21 21 GLY C C 21 172.339 171.603 0.736 1
1 151 . 13 1 1 A 21 21 GLY HA2 H 21 3.313 4.385 -1.072 1
1 152 . 13 1 1 A 22 22 TYR N N 22 118.701 122.593 -3.892 1
1 153 . 13 1 1 A 22 22 TYR H H 22 8.712 9.219 -0.507 1
1 154 . 13 1 1 A 22 22 TYR CA C 22 58.193 56.573 1.620 1
1 155 . 13 1 1 A 22 22 TYR HA H 22 4.627 5.060 -0.433 1
1 156 . 13 1 1 A 22 22 TYR CB C 22 43.318 43.245 0.073 1
1 166 . 13 1 1 A 22 22 TYR C C 22 175.114 175.637 -0.523 1
1 168 . 13 1 1 A 23 23 LYS N N 23 120.476 123.711 -3.235 1
1 169 . 13 1 1 A 23 23 LYS H H 23 9.060 8.835 0.225 1
1 170 . 13 1 1 A 23 23 LYS CA C 23 58.595 57.877 0.718 1
1 171 . 13 1 1 A 23 23 LYS HA H 23 4.450 4.431 0.019 1
1 172 . 13 1 1 A 23 23 LYS CB C 23 33.830 33.529 0.301 1
1 180 . 13 1 1 A 23 23 LYS C C 23 176.227 176.278 -0.051 1
1 185 . 13 1 1 A 24 24 ARG N N 24 114.342 119.800 -5.458 1
1 186 . 13 1 1 A 24 24 ARG H H 24 7.929 7.842 0.087 1
1 187 . 13 1 1 A 24 24 ARG CA C 24 53.954 54.743 -0.789 1
1 188 . 13 1 1 A 24 24 ARG HA H 24 4.786 4.538 0.248 1
1 189 . 13 1 1 A 24 24 ARG CB C 24 32.890 31.297 1.593 1
1 195 . 13 1 1 A 24 24 ARG C C 24 176.136 175.857 0.279 1
1 199 . 13 1 1 A 25 25 ARG N N 25 127.212 126.753 0.459 1
1 200 . 13 1 1 A 25 25 ARG H H 25 8.379 7.959 0.420 1
1 201 . 13 1 1 A 25 25 ARG CA C 25 58.968 59.121 -0.153 1
1 202 . 13 1 1 A 25 25 ARG HA H 25 3.047 3.337 -0.290 1
1 203 . 13 1 1 A 25 25 ARG CB C 25 28.874 29.575 -0.701 1
1 209 . 13 1 1 A 25 25 ARG C C 25 178.039 177.544 0.495 1
1 213 . 13 1 1 A 26 26 LEU N N 26 117.424 120.776 -3.352 1
1 214 . 13 1 1 A 26 26 LEU H H 26 8.321 7.976 0.345 1
1 215 . 13 1 1 A 26 26 LEU CA C 26 57.922 57.955 -0.033 1
1 216 . 13 1 1 A 26 26 LEU HA H 26 4.008 4.001 0.007 1
1 217 . 13 1 1 A 26 26 LEU CB C 26 42.295 41.158 1.137 1
1 229 . 13 1 1 A 26 26 LEU C C 26 178.591 178.037 0.554 1
1 231 . 13 1 1 A 27 27 ASP N N 27 116.153 118.991 -2.838 1
1 232 . 13 1 1 A 27 27 ASP H H 27 6.677 8.537 -1.860 1
1 233 . 13 1 1 A 27 27 ASP CA C 27 56.775 57.696 -0.921 1
1 234 . 13 1 1 A 27 27 ASP HA H 27 4.419 4.258 0.161 1
1 235 . 13 1 1 A 27 27 ASP CB C 27 40.901 41.803 -0.902 1
1 237 . 13 1 1 A 27 27 ASP C C 27 178.564 178.010 0.554 1
1 239 . 13 1 1 A 28 28 LEU N N 28 122.965 120.151 2.814 1
1 240 . 13 1 1 A 28 28 LEU H H 28 7.010 7.525 -0.515 1
1 241 . 13 1 1 A 28 28 LEU CA C 28 57.793 57.548 0.245 1
1 242 . 13 1 1 A 28 28 LEU HA H 28 3.620 3.104 0.516 1
1 243 . 13 1 1 A 28 28 LEU CB C 28 40.261 41.185 -0.924 1
1 255 . 13 1 1 A 28 28 LEU C C 28 177.807 178.039 -0.232 1
1 257 . 13 1 1 A 29 29 ASP N N 29 120.296 119.002 1.294 1
1 258 . 13 1 1 A 29 29 ASP H H 29 8.371 8.359 0.012 1
1 259 . 13 1 1 A 29 29 ASP CA C 29 57.703 56.894 0.809 1
1 260 . 13 1 1 A 29 29 ASP HA H 29 4.299 4.305 -0.006 1
1 261 . 13 1 1 A 29 29 ASP CB C 29 39.968 41.317 -1.349 1
1 263 . 13 1 1 A 29 29 ASP C C 29 179.252 178.198 1.054 1
1 265 . 13 1 1 A 30 30 PHE N N 30 118.906 120.099 -1.193 1
1 266 . 13 1 1 A 30 30 PHE H H 30 7.830 7.700 0.130 1
1 267 . 13 1 1 A 30 30 PHE CA C 30 60.984 59.718 1.266 1
1 268 . 13 1 1 A 30 30 PHE HA H 30 4.238 4.166 0.072 1
1 269 . 13 1 1 A 30 30 PHE CB C 30 38.859 39.819 -0.960 1
1 281 . 13 1 1 A 30 30 PHE C C 30 178.386 177.462 0.924 1
1 283 . 13 1 1 A 31 31 HIS N N 31 119.537 118.815 0.722 1
1 284 . 13 1 1 A 31 31 HIS H H 31 7.773 8.362 -0.589 1
1 285 . 13 1 1 A 31 31 HIS CA C 31 58.968 59.969 -1.001 1
1 286 . 13 1 1 A 31 31 HIS HA H 31 4.244 4.242 0.002 1
1 287 . 13 1 1 A 31 31 HIS CB C 31 28.055 29.751 -1.696 1
1 293 . 13 1 1 A 31 31 HIS C C 31 176.042 177.349 -1.307 1
1 295 . 13 1 1 A 32 32 GLN N N 32 114.850 117.298 -2.448 1
1 296 . 13 1 1 A 32 32 GLN H H 32 8.297 8.011 0.286 1
1 297 . 13 1 1 A 32 32 GLN CA C 32 59.097 59.029 0.068 1
1 298 . 13 1 1 A 32 32 GLN HA H 32 3.694 3.783 -0.089 1
1 299 . 13 1 1 A 32 32 GLN CB C 32 28.158 28.280 -0.122 1
1 306 . 13 1 1 A 32 32 GLN C C 32 177.287 178.592 -1.305 1
1 309 . 13 1 1 A 33 33 ARG N N 33 117.557 120.198 -2.641 1
1 310 . 13 1 1 A 33 33 ARG H H 33 7.132 8.063 -0.931 1
1 311 . 13 1 1 A 33 33 ARG CA C 33 58.358 58.651 -0.293 1
1 312 . 13 1 1 A 33 33 ARG HA H 33 4.101 4.059 0.042 1
1 313 . 13 1 1 A 33 33 ARG CB C 33 29.730 29.698 0.032 1
1 319 . 13 1 1 A 33 33 ARG C C 33 178.499 178.848 -0.349 1
1 323 . 13 1 1 A 34 34 VAL N N 34 116.405 116.782 -0.377 1
1 324 . 13 1 1 A 34 34 VAL H H 34 7.885 7.802 0.083 1
1 325 . 13 1 1 A 34 34 VAL CA C 34 63.968 65.243 -1.275 1
1 326 . 13 1 1 A 34 34 VAL HA H 34 3.874 3.673 0.201 1
1 327 . 13 1 1 A 34 34 VAL CB C 34 31.122 31.238 -0.116 1
1 337 . 13 1 1 A 34 34 VAL C C 34 177.300 178.098 -0.798 1
1 338 . 13 1 1 A 35 35 HIS N N 35 117.405 119.916 -2.511 1
1 339 . 13 1 1 A 35 35 HIS H H 35 7.235 7.656 -0.421 1
1 340 . 13 1 1 A 35 35 HIS CA C 35 55.330 59.685 -4.355 1
1 341 . 13 1 1 A 35 35 HIS HA H 35 4.857 4.267 0.590 1
1 342 . 13 1 1 A 35 35 HIS CB C 35 28.661 30.048 -1.387 1
1 348 . 13 1 1 A 35 35 HIS C C 35 175.854 175.872 -0.018 1
1 350 . 13 1 1 A 36 36 THR N N 36 112.155 111.043 1.112 1
1 351 . 13 1 1 A 36 36 THR H H 36 7.788 7.983 -0.195 1
1 352 . 13 1 1 A 36 36 THR CA C 36 62.772 61.469 1.303 1
1 353 . 13 1 1 A 36 36 THR HA H 36 4.328 4.272 0.056 1
1 354 . 13 1 1 A 36 36 THR CB C 36 69.799 68.106 1.693 1
1 360 . 13 1 1 A 36 36 THR C C 36 175.542 174.747 0.795 1
1 361 . 13 1 1 A 37 37 GLY N N 37 110.545 112.078 -1.533 1
1 362 . 13 1 1 A 37 37 GLY H H 37 8.233 8.428 -0.195 1
1 363 . 13 1 1 A 37 37 GLY CA C 37 45.526 45.335 0.191 1
1 364 . 13 1 1 A 37 37 GLY HA3 H 37 4.024 3.952 0.072 1
1 365 . 13 1 1 A 37 37 GLY C C 37 174.293 173.555 0.738 1
1 366 . 13 1 1 A 37 37 GLY HA2 H 37 3.942 3.941 0.001 1
1 367 . 13 1 1 A 38 38 GLU N N 38 120.757 115.487 5.270 1
1 368 . 13 1 1 A 38 38 GLU H H 38 8.087 7.876 0.211 1
1 369 . 13 1 1 A 38 38 GLU CA C 38 56.756 57.486 -0.730 1
1 370 . 13 1 1 A 38 38 GLU HA H 38 4.226 3.922 0.304 1
1 371 . 13 1 1 A 38 38 GLU CB C 38 30.420 27.117 3.303 1
1 375 . 13 1 1 A 38 38 GLU C C 38 176.480 175.769 0.711 1
1 378 . 13 1 1 A 39 39 LYS N N 39 122.154 115.844 6.310 1
1 379 . 13 1 1 A 39 39 LYS H H 39 8.322 7.981 0.341 1
1 380 . 13 1 1 A 39 39 LYS CA C 39 56.239 55.174 1.065 1
1 381 . 13 1 1 A 39 39 LYS HA H 39 4.315 4.705 -0.390 1
1 382 . 13 1 1 A 39 39 LYS CB C 39 32.799 32.341 0.458 1
1 390 . 13 1 1 A 39 39 LYS C C 39 176.535 177.181 -0.646 1
1 395 . 13 1 1 A 40 40 LEU N N 40 123.630 122.500 1.130 1
1 396 . 13 1 1 A 40 40 LEU H H 40 8.299 7.771 0.528 1
1 397 . 13 1 1 A 40 40 LEU CA C 40 55.167 55.833 -0.666 1
1 398 . 13 1 1 A 40 40 LEU HA H 40 4.398 4.292 0.106 1
1 399 . 13 1 1 A 40 40 LEU CB C 40 42.364 42.861 -0.497 1
1 411 . 13 1 1 A 40 40 LEU C C 40 177.392 176.207 1.185 1
1 413 . 13 1 1 A 41 41 SER N N 41 116.506 112.695 3.811 1
1 414 . 13 1 1 A 41 41 SER H H 41 8.307 8.109 0.198 1
1 415 . 13 1 1 A 41 41 SER CA C 41 58.290 59.541 -1.251 1
1 416 . 13 1 1 A 41 41 SER HA H 41 4.449 4.198 0.251 1
1 417 . 13 1 1 A 41 41 SER CB C 41 64.054 61.206 2.848 1
1 419 . 13 1 1 A 41 41 SER C C 41 174.470 174.161 0.309 1
1 421 . 13 1 1 A 42 42 GLY N N 42 110.630 106.540 4.090 1
1 422 . 13 1 1 A 42 42 GLY H H 42 8.215 8.234 -0.019 1
1 423 . 13 1 1 A 42 42 GLY CA C 42 44.768 45.425 -0.657 1
1 424 . 13 1 1 A 42 42 GLY HA3 H 42 4.145 4.097 0.048 1
1 425 . 13 1 1 A 42 42 GLY C C 42 171.726 173.940 -2.214 1
1 426 . 13 1 1 A 42 42 GLY HA2 H 42 4.145 4.097 0.048 1
1 427 . 13 1 1 A 43 43 PRO CA C 43 63.300 64.734 -1.434 1
1 428 . 13 1 1 A 43 43 PRO HA H 43 4.487 4.449 0.038 1
1 429 . 13 1 1 A 43 43 PRO CB C 43 32.225 32.000 0.225 1
1 435 . 13 1 1 A 43 43 PRO C C 43 177.377 176.739 0.638 1
1 439 . 13 1 1 A 44 44 SER N N 44 116.384 112.685 3.699 1
1 440 . 13 1 1 A 44 44 SER H H 44 8.538 7.749 0.789 1
1 441 . 13 1 1 A 44 44 SER CA C 44 58.396 57.975 0.421 1
1 442 . 13 1 1 A 44 44 SER HA H 44 4.462 4.569 -0.107 1
1 443 . 13 1 1 A 44 44 SER CB C 44 63.785 65.437 -1.652 1
1 445 . 13 1 1 A 44 44 SER C C 44 174.636 173.505 1.131 1
1 447 . 13 1 1 A 45 45 SER N N 45 117.830 123.649 -5.819 1
1 448 . 13 1 1 A 45 45 SER H H 45 8.331 9.196 -0.865 1
1 449 . 13 1 1 A 45 45 SER CA C 45 58.388 59.224 -0.836 1
1 450 . 13 1 1 A 45 45 SER HA H 45 4.452 4.072 0.380 1
1 451 . 13 1 1 A 45 45 SER CB C 45 64.109 62.517 1.592 1
1 453 . 13 1 1 A 45 45 SER C C 45 173.898 173.339 0.559 1
1 4 . 14 1 1 A 9 9 GLY CA C 9 45.254 45.202 0.052 1
1 5 . 14 1 1 A 9 9 GLY HA3 H 9 3.953 4.134 -0.181 1
1 6 . 14 1 1 A 9 9 GLY C C 9 174.042 174.208 -0.166 1
1 7 . 14 1 1 A 9 9 GLY HA2 H 9 3.953 4.134 -0.181 1
1 8 . 14 1 1 A 10 10 GLU N N 10 120.168 122.888 -2.720 1
1 9 . 14 1 1 A 10 10 GLU H H 10 8.189 8.291 -0.102 1
1 10 . 14 1 1 A 10 10 GLU CA C 10 56.864 57.212 -0.348 1
1 11 . 14 1 1 A 10 10 GLU HA H 10 4.190 4.198 -0.008 1
1 12 . 14 1 1 A 10 10 GLU CB C 10 30.408 30.883 -0.475 1
1 16 . 14 1 1 A 10 10 GLU C C 10 176.310 175.598 0.712 1
1 19 . 14 1 1 A 11 11 LYS N N 11 121.384 122.035 -0.651 1
1 20 . 14 1 1 A 11 11 LYS H H 11 8.303 8.613 -0.310 1
1 21 . 14 1 1 A 11 11 LYS CA C 11 53.617 53.267 0.350 1
1 22 . 14 1 1 A 11 11 LYS HA H 11 4.442 4.680 -0.238 1
1 23 . 14 1 1 A 11 11 LYS CB C 11 32.516 33.084 -0.568 1
1 31 . 14 1 1 A 11 11 LYS C C 11 174.008 176.466 -2.458 1
1 36 . 14 1 1 A 12 12 PRO CA C 12 63.810 65.013 -1.203 1
1 37 . 14 1 1 A 12 12 PRO HA H 12 4.209 4.265 -0.056 1
1 38 . 14 1 1 A 12 12 PRO CB C 12 32.136 31.613 0.523 1
1 44 . 14 1 1 A 12 12 PRO C C 12 176.465 175.902 0.563 1
1 48 . 14 1 1 A 13 13 TYR N N 13 118.430 118.263 0.167 1
1 49 . 14 1 1 A 13 13 TYR H H 13 7.828 7.374 0.454 1
1 50 . 14 1 1 A 13 13 TYR CA C 13 57.575 57.611 -0.036 1
1 51 . 14 1 1 A 13 13 TYR HA H 13 4.633 5.042 -0.409 1
1 52 . 14 1 1 A 13 13 TYR CB C 13 38.137 40.967 -2.830 1
1 62 . 14 1 1 A 13 13 TYR C C 13 174.444 175.429 -0.985 1
1 64 . 14 1 1 A 14 14 LYS N N 14 124.304 121.185 3.119 1
1 65 . 14 1 1 A 14 14 LYS H H 14 8.454 8.870 -0.416 1
1 66 . 14 1 1 A 14 14 LYS CA C 14 54.800 54.244 0.556 1
1 67 . 14 1 1 A 14 14 LYS HA H 14 5.039 5.239 -0.200 1
1 68 . 14 1 1 A 14 14 LYS CB C 14 35.164 36.202 -1.038 1
1 76 . 14 1 1 A 14 14 LYS C C 14 175.455 175.433 0.022 1
1 81 . 14 1 1 A 15 15 CYS N N 15 126.669 123.844 2.825 1
1 82 . 14 1 1 A 15 15 CYS H H 15 9.138 9.151 -0.013 1
1 83 . 14 1 1 A 15 15 CYS CA C 15 59.488 59.687 -0.199 1
1 84 . 14 1 1 A 15 15 CYS HA H 15 4.611 4.625 -0.014 1
1 85 . 14 1 1 A 15 15 CYS CB C 15 29.705 28.798 0.907 1
1 87 . 14 1 1 A 15 15 CYS C C 15 177.944 175.212 2.732 1
1 89 . 14 1 1 A 16 16 VAL N N 16 130.449 124.407 6.042 1
1 90 . 14 1 1 A 16 16 VAL H H 16 9.093 8.704 0.389 1
1 91 . 14 1 1 A 16 16 VAL CA C 16 64.724 63.547 1.177 1
1 92 . 14 1 1 A 16 16 VAL HA H 16 3.962 4.161 -0.199 1
1 93 . 14 1 1 A 16 16 VAL CB C 16 31.834 32.745 -0.911 1
1 103 . 14 1 1 A 16 16 VAL C C 16 176.285 177.542 -1.257 1
1 104 . 14 1 1 A 17 17 GLU N N 17 121.787 120.760 1.027 1
1 105 . 14 1 1 A 17 17 GLU H H 17 8.559 7.763 0.796 1
1 106 . 14 1 1 A 17 17 GLU CA C 17 58.471 58.775 -0.304 1
1 107 . 14 1 1 A 17 17 GLU HA H 17 4.214 3.977 0.237 1
1 108 . 14 1 1 A 17 17 GLU CB C 17 29.377 29.615 -0.238 1
1 112 . 14 1 1 A 17 17 GLU C C 17 177.492 178.089 -0.597 1
1 115 . 14 1 1 A 18 18 CYS N N 18 114.939 114.927 0.012 1
1 116 . 14 1 1 A 18 18 CYS H H 18 8.082 7.975 0.107 1
1 117 . 14 1 1 A 18 18 CYS CA C 18 58.471 59.546 -1.075 1
1 118 . 14 1 1 A 18 18 CYS HA H 18 5.192 4.638 0.554 1
1 119 . 14 1 1 A 18 18 CYS CB C 18 32.509 29.812 2.697 1
1 121 . 14 1 1 A 18 18 CYS C C 18 176.460 175.510 0.950 1
1 123 . 14 1 1 A 19 19 GLY N N 19 113.538 110.429 3.109 1
1 124 . 14 1 1 A 19 19 GLY H H 19 8.196 8.293 -0.097 1
1 125 . 14 1 1 A 19 19 GLY CA C 19 46.242 45.303 0.939 1
1 126 . 14 1 1 A 19 19 GLY HA3 H 19 4.259 4.034 0.225 1
1 127 . 14 1 1 A 19 19 GLY C C 19 173.676 174.532 -0.856 1
1 128 . 14 1 1 A 19 19 GLY HA2 H 19 3.798 4.024 -0.226 1
1 129 . 14 1 1 A 20 20 LYS N N 20 123.263 120.456 2.807 1
1 130 . 14 1 1 A 20 20 LYS H H 20 7.926 7.460 0.466 1
1 131 . 14 1 1 A 20 20 LYS CA C 20 58.523 56.685 1.838 1
1 132 . 14 1 1 A 20 20 LYS HA H 20 3.981 4.333 -0.352 1
1 133 . 14 1 1 A 20 20 LYS CB C 20 33.810 34.244 -0.434 1
1 141 . 14 1 1 A 20 20 LYS C C 20 175.052 175.494 -0.442 1
1 146 . 14 1 1 A 21 21 GLY N N 21 108.411 108.059 0.352 1
1 147 . 14 1 1 A 21 21 GLY H H 21 7.976 8.410 -0.434 1
1 148 . 14 1 1 A 21 21 GLY CA C 21 44.194 44.454 -0.260 1
1 149 . 14 1 1 A 21 21 GLY HA3 H 21 4.999 4.354 0.645 1
1 150 . 14 1 1 A 21 21 GLY C C 21 172.339 171.478 0.861 1
1 151 . 14 1 1 A 21 21 GLY HA2 H 21 3.313 4.255 -0.942 1
1 152 . 14 1 1 A 22 22 TYR N N 22 118.701 124.505 -5.804 1
1 153 . 14 1 1 A 22 22 TYR H H 22 8.712 9.367 -0.655 1
1 154 . 14 1 1 A 22 22 TYR CA C 22 58.193 57.160 1.033 1
1 155 . 14 1 1 A 22 22 TYR HA H 22 4.627 5.045 -0.418 1
1 156 . 14 1 1 A 22 22 TYR CB C 22 43.318 41.324 1.994 1
1 166 . 14 1 1 A 22 22 TYR C C 22 175.114 176.308 -1.194 1
1 168 . 14 1 1 A 23 23 LYS N N 23 120.476 125.627 -5.151 1
1 169 . 14 1 1 A 23 23 LYS H H 23 9.060 8.938 0.122 1
1 170 . 14 1 1 A 23 23 LYS CA C 23 58.595 59.563 -0.968 1
1 171 . 14 1 1 A 23 23 LYS HA H 23 4.450 4.147 0.303 1
1 172 . 14 1 1 A 23 23 LYS CB C 23 33.830 32.465 1.365 1
1 180 . 14 1 1 A 23 23 LYS C C 23 176.227 176.200 0.027 1
1 185 . 14 1 1 A 24 24 ARG N N 24 114.342 114.646 -0.304 1
1 186 . 14 1 1 A 24 24 ARG H H 24 7.929 7.669 0.260 1
1 187 . 14 1 1 A 24 24 ARG CA C 24 53.954 54.914 -0.960 1
1 188 . 14 1 1 A 24 24 ARG HA H 24 4.786 4.928 -0.142 1
1 189 . 14 1 1 A 24 24 ARG CB C 24 32.890 32.590 0.300 1
1 195 . 14 1 1 A 24 24 ARG C C 24 176.136 176.144 -0.008 1
1 199 . 14 1 1 A 25 25 ARG N N 25 127.212 120.973 6.239 1
1 200 . 14 1 1 A 25 25 ARG H H 25 8.379 7.970 0.409 1
1 201 . 14 1 1 A 25 25 ARG CA C 25 58.968 58.756 0.212 1
1 202 . 14 1 1 A 25 25 ARG HA H 25 3.047 3.361 -0.314 1
1 203 . 14 1 1 A 25 25 ARG CB C 25 28.874 29.254 -0.380 1
1 209 . 14 1 1 A 25 25 ARG C C 25 178.039 177.648 0.391 1
1 213 . 14 1 1 A 26 26 LEU N N 26 117.424 120.467 -3.043 1
1 214 . 14 1 1 A 26 26 LEU H H 26 8.321 7.961 0.360 1
1 215 . 14 1 1 A 26 26 LEU CA C 26 57.922 58.446 -0.524 1
1 216 . 14 1 1 A 26 26 LEU HA H 26 4.008 3.924 0.084 1
1 217 . 14 1 1 A 26 26 LEU CB C 26 42.295 41.984 0.311 1
1 229 . 14 1 1 A 26 26 LEU C C 26 178.591 178.229 0.362 1
1 231 . 14 1 1 A 27 27 ASP N N 27 116.153 118.593 -2.440 1
1 232 . 14 1 1 A 27 27 ASP H H 27 6.677 8.090 -1.413 1
1 233 . 14 1 1 A 27 27 ASP CA C 27 56.775 57.652 -0.877 1
1 234 . 14 1 1 A 27 27 ASP HA H 27 4.419 4.238 0.181 1
1 235 . 14 1 1 A 27 27 ASP CB C 27 40.901 41.589 -0.688 1
1 237 . 14 1 1 A 27 27 ASP C C 27 178.564 177.992 0.572 1
1 239 . 14 1 1 A 28 28 LEU N N 28 122.965 120.257 2.708 1
1 240 . 14 1 1 A 28 28 LEU H H 28 7.010 7.593 -0.583 1
1 241 . 14 1 1 A 28 28 LEU CA C 28 57.793 58.135 -0.342 1
1 242 . 14 1 1 A 28 28 LEU HA H 28 3.620 3.127 0.493 1
1 243 . 14 1 1 A 28 28 LEU CB C 28 40.261 41.386 -1.125 1
1 255 . 14 1 1 A 28 28 LEU C C 28 177.807 178.047 -0.240 1
1 257 . 14 1 1 A 29 29 ASP N N 29 120.296 118.791 1.505 1
1 258 . 14 1 1 A 29 29 ASP H H 29 8.371 8.526 -0.155 1
1 259 . 14 1 1 A 29 29 ASP CA C 29 57.703 57.115 0.588 1
1 260 . 14 1 1 A 29 29 ASP HA H 29 4.299 4.266 0.033 1
1 261 . 14 1 1 A 29 29 ASP CB C 29 39.968 41.550 -1.582 1
1 263 . 14 1 1 A 29 29 ASP C C 29 179.252 178.283 0.969 1
1 265 . 14 1 1 A 30 30 PHE N N 30 118.906 119.550 -0.644 1
1 266 . 14 1 1 A 30 30 PHE H H 30 7.830 7.589 0.241 1
1 267 . 14 1 1 A 30 30 PHE CA C 30 60.984 60.049 0.935 1
1 268 . 14 1 1 A 30 30 PHE HA H 30 4.238 4.181 0.057 1
1 269 . 14 1 1 A 30 30 PHE CB C 30 38.859 39.255 -0.396 1
1 281 . 14 1 1 A 30 30 PHE C C 30 178.386 177.419 0.967 1
1 283 . 14 1 1 A 31 31 HIS N N 31 119.537 118.587 0.950 1
1 284 . 14 1 1 A 31 31 HIS H H 31 7.773 8.526 -0.753 1
1 285 . 14 1 1 A 31 31 HIS CA C 31 58.968 59.845 -0.877 1
1 286 . 14 1 1 A 31 31 HIS HA H 31 4.244 4.277 -0.033 1
1 287 . 14 1 1 A 31 31 HIS CB C 31 28.055 29.787 -1.732 1
1 293 . 14 1 1 A 31 31 HIS C C 31 176.042 177.401 -1.359 1
1 295 . 14 1 1 A 32 32 GLN N N 32 114.850 117.349 -2.499 1
1 296 . 14 1 1 A 32 32 GLN H H 32 8.297 8.145 0.152 1
1 297 . 14 1 1 A 32 32 GLN CA C 32 59.097 58.887 0.210 1
1 298 . 14 1 1 A 32 32 GLN HA H 32 3.694 3.810 -0.116 1
1 299 . 14 1 1 A 32 32 GLN CB C 32 28.158 28.246 -0.088 1
1 306 . 14 1 1 A 32 32 GLN C C 32 177.287 178.500 -1.213 1
1 309 . 14 1 1 A 33 33 ARG N N 33 117.557 120.148 -2.591 1
1 310 . 14 1 1 A 33 33 ARG H H 33 7.132 8.108 -0.976 1
1 311 . 14 1 1 A 33 33 ARG CA C 33 58.358 58.807 -0.449 1
1 312 . 14 1 1 A 33 33 ARG HA H 33 4.101 3.996 0.105 1
1 313 . 14 1 1 A 33 33 ARG CB C 33 29.730 29.816 -0.086 1
1 319 . 14 1 1 A 33 33 ARG C C 33 178.499 178.758 -0.259 1
1 323 . 14 1 1 A 34 34 VAL N N 34 116.405 116.455 -0.050 1
1 324 . 14 1 1 A 34 34 VAL H H 34 7.885 7.873 0.012 1
1 325 . 14 1 1 A 34 34 VAL CA C 34 63.968 65.242 -1.274 1
1 326 . 14 1 1 A 34 34 VAL HA H 34 3.874 3.658 0.216 1
1 327 . 14 1 1 A 34 34 VAL CB C 34 31.122 31.162 -0.040 1
1 337 . 14 1 1 A 34 34 VAL C C 34 177.300 178.012 -0.712 1
1 338 . 14 1 1 A 35 35 HIS N N 35 117.405 120.708 -3.303 1
1 339 . 14 1 1 A 35 35 HIS H H 35 7.235 7.513 -0.278 1
1 340 . 14 1 1 A 35 35 HIS CA C 35 55.330 59.931 -4.601 1
1 341 . 14 1 1 A 35 35 HIS HA H 35 4.857 4.241 0.616 1
1 342 . 14 1 1 A 35 35 HIS CB C 35 28.661 30.670 -2.009 1
1 348 . 14 1 1 A 35 35 HIS C C 35 175.854 178.327 -2.473 1
1 350 . 14 1 1 A 36 36 THR N N 36 112.155 114.280 -2.125 1
1 351 . 14 1 1 A 36 36 THR H H 36 7.788 8.425 -0.637 1
1 352 . 14 1 1 A 36 36 THR CA C 36 62.772 65.204 -2.432 1
1 353 . 14 1 1 A 36 36 THR HA H 36 4.328 4.061 0.267 1
1 354 . 14 1 1 A 36 36 THR CB C 36 69.799 68.246 1.553 1
1 360 . 14 1 1 A 36 36 THR C C 36 175.542 175.992 -0.450 1
1 361 . 14 1 1 A 37 37 GLY N N 37 110.545 108.099 2.446 1
1 362 . 14 1 1 A 37 37 GLY H H 37 8.233 7.699 0.534 1
1 363 . 14 1 1 A 37 37 GLY CA C 37 45.526 45.624 -0.098 1
1 364 . 14 1 1 A 37 37 GLY HA3 H 37 4.024 3.821 0.203 1
1 365 . 14 1 1 A 37 37 GLY C C 37 174.293 173.291 1.002 1
1 366 . 14 1 1 A 37 37 GLY HA2 H 37 3.942 3.812 0.130 1
1 367 . 14 1 1 A 38 38 GLU N N 38 120.757 122.672 -1.915 1
1 368 . 14 1 1 A 38 38 GLU H H 38 8.087 8.075 0.012 1
1 369 . 14 1 1 A 38 38 GLU CA C 38 56.756 54.997 1.759 1
1 370 . 14 1 1 A 38 38 GLU HA H 38 4.226 4.903 -0.677 1
1 371 . 14 1 1 A 38 38 GLU CB C 38 30.420 32.526 -2.106 1
1 375 . 14 1 1 A 38 38 GLU C C 38 176.480 175.614 0.866 1
1 378 . 14 1 1 A 39 39 LYS N N 39 122.154 123.499 -1.345 1
1 379 . 14 1 1 A 39 39 LYS H H 39 8.322 8.899 -0.577 1
1 380 . 14 1 1 A 39 39 LYS CA C 39 56.239 54.087 2.152 1
1 381 . 14 1 1 A 39 39 LYS HA H 39 4.315 5.410 -1.095 1
1 382 . 14 1 1 A 39 39 LYS CB C 39 32.799 37.009 -4.210 1
1 390 . 14 1 1 A 39 39 LYS C C 39 176.535 174.633 1.902 1
1 395 . 14 1 1 A 40 40 LEU N N 40 123.630 116.654 6.976 1
1 396 . 14 1 1 A 40 40 LEU H H 40 8.299 8.835 -0.536 1
1 397 . 14 1 1 A 40 40 LEU CA C 40 55.167 53.857 1.310 1
1 398 . 14 1 1 A 40 40 LEU HA H 40 4.398 4.939 -0.541 1
1 399 . 14 1 1 A 40 40 LEU CB C 40 42.364 44.671 -2.307 1
1 411 . 14 1 1 A 40 40 LEU C C 40 177.392 174.232 3.160 1
1 413 . 14 1 1 A 41 41 SER N N 41 116.506 116.094 0.412 1
1 414 . 14 1 1 A 41 41 SER H H 41 8.307 8.695 -0.388 1
1 415 . 14 1 1 A 41 41 SER CA C 41 58.290 57.623 0.667 1
1 416 . 14 1 1 A 41 41 SER HA H 41 4.449 4.863 -0.414 1
1 417 . 14 1 1 A 41 41 SER CB C 41 64.054 64.037 0.017 1
1 419 . 14 1 1 A 41 41 SER C C 41 174.470 173.933 0.537 1
1 421 . 14 1 1 A 42 42 GLY N N 42 110.630 111.982 -1.352 1
1 422 . 14 1 1 A 42 42 GLY H H 42 8.215 8.133 0.082 1
1 423 . 14 1 1 A 42 42 GLY CA C 42 44.768 46.053 -1.285 1
1 424 . 14 1 1 A 42 42 GLY HA3 H 42 4.145 4.040 0.105 1
1 425 . 14 1 1 A 42 42 GLY C C 42 171.726 174.836 -3.110 1
1 426 . 14 1 1 A 42 42 GLY HA2 H 42 4.145 4.040 0.105 1
1 427 . 14 1 1 A 43 43 PRO CA C 43 63.300 64.942 -1.642 1
1 428 . 14 1 1 A 43 43 PRO HA H 43 4.487 4.305 0.182 1
1 429 . 14 1 1 A 43 43 PRO CB C 43 32.225 31.631 0.594 1
1 435 . 14 1 1 A 43 43 PRO C C 43 177.377 177.054 0.323 1
1 439 . 14 1 1 A 44 44 SER N N 44 116.384 109.913 6.471 1
1 440 . 14 1 1 A 44 44 SER H H 44 8.538 8.207 0.331 1
1 441 . 14 1 1 A 44 44 SER CA C 44 58.396 56.900 1.496 1
1 442 . 14 1 1 A 44 44 SER HA H 44 4.462 4.718 -0.256 1
1 443 . 14 1 1 A 44 44 SER CB C 44 63.785 64.266 -0.481 1
1 445 . 14 1 1 A 44 44 SER C C 44 174.636 173.250 1.386 1
1 447 . 14 1 1 A 45 45 SER N N 45 117.830 118.474 -0.644 1
1 448 . 14 1 1 A 45 45 SER H H 45 8.331 8.811 -0.480 1
1 449 . 14 1 1 A 45 45 SER CA C 45 58.388 56.751 1.637 1
1 450 . 14 1 1 A 45 45 SER HA H 45 4.452 5.058 -0.606 1
1 451 . 14 1 1 A 45 45 SER CB C 45 64.109 66.881 -2.772 1
1 453 . 14 1 1 A 45 45 SER C C 45 173.898 173.409 0.489 1
1 4 . 15 1 1 A 9 9 GLY CA C 9 45.254 44.972 0.282 1
1 5 . 15 1 1 A 9 9 GLY HA3 H 9 3.953 4.071 -0.118 1
1 6 . 15 1 1 A 9 9 GLY C C 9 174.042 173.953 0.089 1
1 7 . 15 1 1 A 9 9 GLY HA2 H 9 3.953 4.070 -0.117 1
1 8 . 15 1 1 A 10 10 GLU N N 10 120.168 122.658 -2.490 1
1 9 . 15 1 1 A 10 10 GLU H H 10 8.189 8.516 -0.327 1
1 10 . 15 1 1 A 10 10 GLU CA C 10 56.864 56.630 0.234 1
1 11 . 15 1 1 A 10 10 GLU HA H 10 4.190 4.166 0.024 1
1 12 . 15 1 1 A 10 10 GLU CB C 10 30.408 29.786 0.622 1
1 16 . 15 1 1 A 10 10 GLU C C 10 176.310 176.091 0.219 1
1 19 . 15 1 1 A 11 11 LYS N N 11 121.384 122.725 -1.341 1
1 20 . 15 1 1 A 11 11 LYS H H 11 8.303 8.991 -0.688 1
1 21 . 15 1 1 A 11 11 LYS CA C 11 53.617 53.977 -0.360 1
1 22 . 15 1 1 A 11 11 LYS HA H 11 4.442 4.630 -0.188 1
1 23 . 15 1 1 A 11 11 LYS CB C 11 32.516 32.301 0.215 1
1 31 . 15 1 1 A 11 11 LYS C C 11 174.008 176.597 -2.589 1
1 36 . 15 1 1 A 12 12 PRO CA C 12 63.810 64.921 -1.111 1
1 37 . 15 1 1 A 12 12 PRO HA H 12 4.209 4.243 -0.034 1
1 38 . 15 1 1 A 12 12 PRO CB C 12 32.136 31.604 0.532 1
1 44 . 15 1 1 A 12 12 PRO C C 12 176.465 175.825 0.640 1
1 48 . 15 1 1 A 13 13 TYR N N 13 118.430 118.638 -0.208 1
1 49 . 15 1 1 A 13 13 TYR H H 13 7.828 7.224 0.604 1
1 50 . 15 1 1 A 13 13 TYR CA C 13 57.575 57.633 -0.058 1
1 51 . 15 1 1 A 13 13 TYR HA H 13 4.633 4.883 -0.250 1
1 52 . 15 1 1 A 13 13 TYR CB C 13 38.137 40.708 -2.571 1
1 62 . 15 1 1 A 13 13 TYR C C 13 174.444 175.722 -1.278 1
1 64 . 15 1 1 A 14 14 LYS N N 14 124.304 120.337 3.967 1
1 65 . 15 1 1 A 14 14 LYS H H 14 8.454 8.870 -0.416 1
1 66 . 15 1 1 A 14 14 LYS CA C 14 54.800 54.300 0.500 1
1 67 . 15 1 1 A 14 14 LYS HA H 14 5.039 5.311 -0.272 1
1 68 . 15 1 1 A 14 14 LYS CB C 14 35.164 36.234 -1.070 1
1 76 . 15 1 1 A 14 14 LYS C C 14 175.455 175.336 0.119 1
1 81 . 15 1 1 A 15 15 CYS N N 15 126.669 123.780 2.889 1
1 82 . 15 1 1 A 15 15 CYS H H 15 9.138 8.839 0.299 1
1 83 . 15 1 1 A 15 15 CYS CA C 15 59.488 59.623 -0.135 1
1 84 . 15 1 1 A 15 15 CYS HA H 15 4.611 4.629 -0.018 1
1 85 . 15 1 1 A 15 15 CYS CB C 15 29.705 28.962 0.743 1
1 87 . 15 1 1 A 15 15 CYS C C 15 177.944 175.055 2.889 1
1 89 . 15 1 1 A 16 16 VAL N N 16 130.449 124.129 6.320 1
1 90 . 15 1 1 A 16 16 VAL H H 16 9.093 8.588 0.505 1
1 91 . 15 1 1 A 16 16 VAL CA C 16 64.724 63.534 1.190 1
1 92 . 15 1 1 A 16 16 VAL HA H 16 3.962 4.185 -0.223 1
1 93 . 15 1 1 A 16 16 VAL CB C 16 31.834 32.885 -1.051 1
1 103 . 15 1 1 A 16 16 VAL C C 16 176.285 177.489 -1.204 1
1 104 . 15 1 1 A 17 17 GLU N N 17 121.787 120.785 1.002 1
1 105 . 15 1 1 A 17 17 GLU H H 17 8.559 7.766 0.793 1
1 106 . 15 1 1 A 17 17 GLU CA C 17 58.471 58.703 -0.232 1
1 107 . 15 1 1 A 17 17 GLU HA H 17 4.214 3.946 0.268 1
1 108 . 15 1 1 A 17 17 GLU CB C 17 29.377 29.410 -0.033 1
1 112 . 15 1 1 A 17 17 GLU C C 17 177.492 177.806 -0.314 1
1 115 . 15 1 1 A 18 18 CYS N N 18 114.939 115.136 -0.197 1
1 116 . 15 1 1 A 18 18 CYS H H 18 8.082 7.977 0.105 1
1 117 . 15 1 1 A 18 18 CYS CA C 18 58.471 59.535 -1.064 1
1 118 . 15 1 1 A 18 18 CYS HA H 18 5.192 4.670 0.522 1
1 119 . 15 1 1 A 18 18 CYS CB C 18 32.509 29.940 2.569 1
1 121 . 15 1 1 A 18 18 CYS C C 18 176.460 175.515 0.945 1
1 123 . 15 1 1 A 19 19 GLY N N 19 113.538 110.368 3.170 1
1 124 . 15 1 1 A 19 19 GLY H H 19 8.196 8.287 -0.091 1
1 125 . 15 1 1 A 19 19 GLY CA C 19 46.242 45.275 0.967 1
1 126 . 15 1 1 A 19 19 GLY HA3 H 19 4.259 4.042 0.217 1
1 127 . 15 1 1 A 19 19 GLY C C 19 173.676 174.682 -1.006 1
1 128 . 15 1 1 A 19 19 GLY HA2 H 19 3.798 4.030 -0.232 1
1 129 . 15 1 1 A 20 20 LYS N N 20 123.263 120.352 2.911 1
1 130 . 15 1 1 A 20 20 LYS H H 20 7.926 7.293 0.633 1
1 131 . 15 1 1 A 20 20 LYS CA C 20 58.523 56.581 1.942 1
1 132 . 15 1 1 A 20 20 LYS HA H 20 3.981 4.345 -0.364 1
1 133 . 15 1 1 A 20 20 LYS CB C 20 33.810 34.263 -0.453 1
1 141 . 15 1 1 A 20 20 LYS C C 20 175.052 175.473 -0.421 1
1 146 . 15 1 1 A 21 21 GLY N N 21 108.411 107.928 0.483 1
1 147 . 15 1 1 A 21 21 GLY H H 21 7.976 8.232 -0.256 1
1 148 . 15 1 1 A 21 21 GLY CA C 21 44.194 44.329 -0.135 1
1 149 . 15 1 1 A 21 21 GLY HA3 H 21 4.999 4.392 0.607 1
1 150 . 15 1 1 A 21 21 GLY C C 21 172.339 171.295 1.044 1
1 151 . 15 1 1 A 21 21 GLY HA2 H 21 3.313 4.298 -0.985 1
1 152 . 15 1 1 A 22 22 TYR N N 22 118.701 123.755 -5.054 1
1 153 . 15 1 1 A 22 22 TYR H H 22 8.712 9.044 -0.332 1
1 154 . 15 1 1 A 22 22 TYR CA C 22 58.193 56.642 1.551 1
1 155 . 15 1 1 A 22 22 TYR HA H 22 4.627 5.053 -0.426 1
1 156 . 15 1 1 A 22 22 TYR CB C 22 43.318 41.909 1.409 1
1 166 . 15 1 1 A 22 22 TYR C C 22 175.114 176.167 -1.053 1
1 168 . 15 1 1 A 23 23 LYS N N 23 120.476 125.156 -4.680 1
1 169 . 15 1 1 A 23 23 LYS H H 23 9.060 8.953 0.107 1
1 170 . 15 1 1 A 23 23 LYS CA C 23 58.595 58.600 -0.005 1
1 171 . 15 1 1 A 23 23 LYS HA H 23 4.450 4.228 0.222 1
1 172 . 15 1 1 A 23 23 LYS CB C 23 33.830 33.016 0.814 1
1 180 . 15 1 1 A 23 23 LYS C C 23 176.227 176.075 0.152 1
1 185 . 15 1 1 A 24 24 ARG N N 24 114.342 119.195 -4.853 1
1 186 . 15 1 1 A 24 24 ARG H H 24 7.929 7.891 0.038 1
1 187 . 15 1 1 A 24 24 ARG CA C 24 53.954 54.820 -0.866 1
1 188 . 15 1 1 A 24 24 ARG HA H 24 4.786 4.932 -0.146 1
1 189 . 15 1 1 A 24 24 ARG CB C 24 32.890 33.173 -0.283 1
1 195 . 15 1 1 A 24 24 ARG C C 24 176.136 176.279 -0.143 1
1 199 . 15 1 1 A 25 25 ARG N N 25 127.212 126.179 1.033 1
1 200 . 15 1 1 A 25 25 ARG H H 25 8.379 8.719 -0.340 1
1 201 . 15 1 1 A 25 25 ARG CA C 25 58.968 58.695 0.273 1
1 202 . 15 1 1 A 25 25 ARG HA H 25 3.047 3.192 -0.145 1
1 203 . 15 1 1 A 25 25 ARG CB C 25 28.874 29.252 -0.378 1
1 209 . 15 1 1 A 25 25 ARG C C 25 178.039 177.494 0.545 1
1 213 . 15 1 1 A 26 26 LEU N N 26 117.424 120.769 -3.345 1
1 214 . 15 1 1 A 26 26 LEU H H 26 8.321 8.149 0.172 1
1 215 . 15 1 1 A 26 26 LEU CA C 26 57.922 57.956 -0.034 1
1 216 . 15 1 1 A 26 26 LEU HA H 26 4.008 3.976 0.032 1
1 217 . 15 1 1 A 26 26 LEU CB C 26 42.295 41.209 1.086 1
1 229 . 15 1 1 A 26 26 LEU C C 26 178.591 177.992 0.599 1
1 231 . 15 1 1 A 27 27 ASP N N 27 116.153 118.838 -2.685 1
1 232 . 15 1 1 A 27 27 ASP H H 27 6.677 8.179 -1.502 1
1 233 . 15 1 1 A 27 27 ASP CA C 27 56.775 56.989 -0.214 1
1 234 . 15 1 1 A 27 27 ASP HA H 27 4.419 4.403 0.016 1
1 235 . 15 1 1 A 27 27 ASP CB C 27 40.901 40.559 0.342 1
1 237 . 15 1 1 A 27 27 ASP C C 27 178.564 178.665 -0.101 1
1 239 . 15 1 1 A 28 28 LEU N N 28 122.965 120.801 2.164 1
1 240 . 15 1 1 A 28 28 LEU H H 28 7.010 7.543 -0.533 1
1 241 . 15 1 1 A 28 28 LEU CA C 28 57.793 57.482 0.311 1
1 242 . 15 1 1 A 28 28 LEU HA H 28 3.620 3.063 0.557 1
1 243 . 15 1 1 A 28 28 LEU CB C 28 40.261 41.550 -1.289 1
1 255 . 15 1 1 A 28 28 LEU C C 28 177.807 177.824 -0.017 1
1 257 . 15 1 1 A 29 29 ASP N N 29 120.296 118.913 1.383 1
1 258 . 15 1 1 A 29 29 ASP H H 29 8.371 8.460 -0.089 1
1 259 . 15 1 1 A 29 29 ASP CA C 29 57.703 56.999 0.704 1
1 260 . 15 1 1 A 29 29 ASP HA H 29 4.299 4.300 -0.001 1
1 261 . 15 1 1 A 29 29 ASP CB C 29 39.968 41.316 -1.348 1
1 263 . 15 1 1 A 29 29 ASP C C 29 179.252 178.168 1.084 1
1 265 . 15 1 1 A 30 30 PHE N N 30 118.906 120.257 -1.351 1
1 266 . 15 1 1 A 30 30 PHE H H 30 7.830 7.653 0.177 1
1 267 . 15 1 1 A 30 30 PHE CA C 30 60.984 59.929 1.055 1
1 268 . 15 1 1 A 30 30 PHE HA H 30 4.238 4.138 0.100 1
1 269 . 15 1 1 A 30 30 PHE CB C 30 38.859 39.817 -0.958 1
1 281 . 15 1 1 A 30 30 PHE C C 30 178.386 177.461 0.925 1
1 283 . 15 1 1 A 31 31 HIS N N 31 119.537 118.718 0.819 1
1 284 . 15 1 1 A 31 31 HIS H H 31 7.773 8.360 -0.587 1
1 285 . 15 1 1 A 31 31 HIS CA C 31 58.968 59.821 -0.853 1
1 286 . 15 1 1 A 31 31 HIS HA H 31 4.244 4.190 0.054 1
1 287 . 15 1 1 A 31 31 HIS CB C 31 28.055 29.623 -1.568 1
1 293 . 15 1 1 A 31 31 HIS C C 31 176.042 177.327 -1.285 1
1 295 . 15 1 1 A 32 32 GLN N N 32 114.850 117.243 -2.393 1
1 296 . 15 1 1 A 32 32 GLN H H 32 8.297 8.076 0.221 1
1 297 . 15 1 1 A 32 32 GLN CA C 32 59.097 59.055 0.042 1
1 298 . 15 1 1 A 32 32 GLN HA H 32 3.694 3.807 -0.113 1
1 299 . 15 1 1 A 32 32 GLN CB C 32 28.158 28.300 -0.142 1
1 306 . 15 1 1 A 32 32 GLN C C 32 177.287 178.468 -1.181 1
1 309 . 15 1 1 A 33 33 ARG N N 33 117.557 120.184 -2.627 1
1 310 . 15 1 1 A 33 33 ARG H H 33 7.132 7.963 -0.831 1
1 311 . 15 1 1 A 33 33 ARG CA C 33 58.358 58.710 -0.352 1
1 312 . 15 1 1 A 33 33 ARG HA H 33 4.101 4.069 0.032 1
1 313 . 15 1 1 A 33 33 ARG CB C 33 29.730 29.701 0.029 1
1 319 . 15 1 1 A 33 33 ARG C C 33 178.499 178.831 -0.332 1
1 323 . 15 1 1 A 34 34 VAL N N 34 116.405 116.699 -0.294 1
1 324 . 15 1 1 A 34 34 VAL H H 34 7.885 7.874 0.011 1
1 325 . 15 1 1 A 34 34 VAL CA C 34 63.968 65.220 -1.252 1
1 326 . 15 1 1 A 34 34 VAL HA H 34 3.874 3.646 0.228 1
1 327 . 15 1 1 A 34 34 VAL CB C 34 31.122 31.181 -0.059 1
1 337 . 15 1 1 A 34 34 VAL C C 34 177.300 178.119 -0.819 1
1 338 . 15 1 1 A 35 35 HIS N N 35 117.405 120.499 -3.094 1
1 339 . 15 1 1 A 35 35 HIS H H 35 7.235 7.564 -0.329 1
1 340 . 15 1 1 A 35 35 HIS CA C 35 55.330 59.886 -4.556 1
1 341 . 15 1 1 A 35 35 HIS HA H 35 4.857 4.158 0.699 1
1 342 . 15 1 1 A 35 35 HIS CB C 35 28.661 30.496 -1.835 1
1 348 . 15 1 1 A 35 35 HIS C C 35 175.854 178.383 -2.529 1
1 350 . 15 1 1 A 36 36 THR N N 36 112.155 113.209 -1.054 1
1 351 . 15 1 1 A 36 36 THR H H 36 7.788 8.382 -0.594 1
1 352 . 15 1 1 A 36 36 THR CA C 36 62.772 65.321 -2.549 1
1 353 . 15 1 1 A 36 36 THR HA H 36 4.328 3.981 0.347 1
1 354 . 15 1 1 A 36 36 THR CB C 36 69.799 67.889 1.910 1
1 360 . 15 1 1 A 36 36 THR C C 36 175.542 175.801 -0.259 1
1 361 . 15 1 1 A 37 37 GLY N N 37 110.545 108.393 2.152 1
1 362 . 15 1 1 A 37 37 GLY H H 37 8.233 8.280 -0.047 1
1 363 . 15 1 1 A 37 37 GLY CA C 37 45.526 46.673 -1.147 1
1 364 . 15 1 1 A 37 37 GLY HA3 H 37 4.024 3.808 0.216 1
1 365 . 15 1 1 A 37 37 GLY C C 37 174.293 173.383 0.910 1
1 366 . 15 1 1 A 37 37 GLY HA2 H 37 3.942 3.790 0.152 1
1 367 . 15 1 1 A 38 38 GLU N N 38 120.757 123.224 -2.467 1
1 368 . 15 1 1 A 38 38 GLU H H 38 8.087 8.063 0.024 1
1 369 . 15 1 1 A 38 38 GLU CA C 38 56.756 54.716 2.040 1
1 370 . 15 1 1 A 38 38 GLU HA H 38 4.226 4.718 -0.492 1
1 371 . 15 1 1 A 38 38 GLU CB C 38 30.420 31.958 -1.538 1
1 375 . 15 1 1 A 38 38 GLU C C 38 176.480 175.922 0.558 1
1 378 . 15 1 1 A 39 39 LYS N N 39 122.154 124.898 -2.744 1
1 379 . 15 1 1 A 39 39 LYS H H 39 8.322 8.495 -0.173 1
1 380 . 15 1 1 A 39 39 LYS CA C 39 56.239 56.807 -0.568 1
1 381 . 15 1 1 A 39 39 LYS HA H 39 4.315 4.134 0.181 1
1 382 . 15 1 1 A 39 39 LYS CB C 39 32.799 32.716 0.083 1
1 390 . 15 1 1 A 39 39 LYS C C 39 176.535 176.136 0.399 1
1 395 . 15 1 1 A 40 40 LEU N N 40 123.630 118.650 4.980 1
1 396 . 15 1 1 A 40 40 LEU H H 40 8.299 8.977 -0.678 1
1 397 . 15 1 1 A 40 40 LEU CA C 40 55.167 55.993 -0.826 1
1 398 . 15 1 1 A 40 40 LEU HA H 40 4.398 3.890 0.508 1
1 399 . 15 1 1 A 40 40 LEU CB C 40 42.364 40.507 1.857 1
1 411 . 15 1 1 A 40 40 LEU C C 40 177.392 177.452 -0.060 1
1 413 . 15 1 1 A 41 41 SER N N 41 116.506 114.380 2.126 1
1 414 . 15 1 1 A 41 41 SER H H 41 8.307 8.156 0.151 1
1 415 . 15 1 1 A 41 41 SER CA C 41 58.290 61.496 -3.206 1
1 416 . 15 1 1 A 41 41 SER HA H 41 4.449 4.217 0.232 1
1 417 . 15 1 1 A 41 41 SER CB C 41 64.054 63.040 1.014 1
1 419 . 15 1 1 A 41 41 SER C C 41 174.470 174.947 -0.477 1
1 421 . 15 1 1 A 42 42 GLY N N 42 110.630 107.971 2.659 1
1 422 . 15 1 1 A 42 42 GLY H H 42 8.215 7.407 0.808 1
1 423 . 15 1 1 A 42 42 GLY CA C 42 44.768 45.933 -1.165 1
1 424 . 15 1 1 A 42 42 GLY HA3 H 42 4.145 3.986 0.159 1
1 425 . 15 1 1 A 42 42 GLY C C 42 171.726 174.274 -2.548 1
1 426 . 15 1 1 A 42 42 GLY HA2 H 42 4.145 3.985 0.160 1
1 427 . 15 1 1 A 43 43 PRO CA C 43 63.300 62.289 1.011 1
1 428 . 15 1 1 A 43 43 PRO HA H 43 4.487 4.531 -0.044 1
1 429 . 15 1 1 A 43 43 PRO CB C 43 32.225 29.811 2.414 1
1 435 . 15 1 1 A 43 43 PRO C C 43 177.377 177.580 -0.203 1
1 439 . 15 1 1 A 44 44 SER N N 44 116.384 121.615 -5.231 1
1 440 . 15 1 1 A 44 44 SER H H 44 8.538 8.346 0.192 1
1 441 . 15 1 1 A 44 44 SER CA C 44 58.396 61.398 -3.002 1
1 442 . 15 1 1 A 44 44 SER HA H 44 4.462 4.169 0.293 1
1 443 . 15 1 1 A 44 44 SER CB C 44 63.785 63.053 0.732 1
1 445 . 15 1 1 A 44 44 SER C C 44 174.636 175.446 -0.810 1
1 447 . 15 1 1 A 45 45 SER N N 45 117.830 116.320 1.510 1
1 448 . 15 1 1 A 45 45 SER H H 45 8.331 8.176 0.155 1
1 449 . 15 1 1 A 45 45 SER CA C 45 58.388 57.512 0.876 1
1 450 . 15 1 1 A 45 45 SER HA H 45 4.452 4.452 0.000 1
1 451 . 15 1 1 A 45 45 SER CB C 45 64.109 62.122 1.987 1
1 453 . 15 1 1 A 45 45 SER C C 45 173.898 173.899 -0.001 1
1 4 . 16 1 1 A 9 9 GLY CA C 9 45.254 46.917 -1.663 1
1 5 . 16 1 1 A 9 9 GLY HA3 H 9 3.953 3.910 0.043 1
1 6 . 16 1 1 A 9 9 GLY C C 9 174.042 174.435 -0.393 1
1 7 . 16 1 1 A 9 9 GLY HA2 H 9 3.953 3.910 0.043 1
1 8 . 16 1 1 A 10 10 GLU N N 10 120.168 116.824 3.344 1
1 9 . 16 1 1 A 10 10 GLU H H 10 8.189 8.478 -0.289 1
1 10 . 16 1 1 A 10 10 GLU CA C 10 56.864 57.170 -0.306 1
1 11 . 16 1 1 A 10 10 GLU HA H 10 4.190 4.037 0.153 1
1 12 . 16 1 1 A 10 10 GLU CB C 10 30.408 27.369 3.039 1
1 16 . 16 1 1 A 10 10 GLU C C 10 176.310 175.914 0.396 1
1 19 . 16 1 1 A 11 11 LYS N N 11 121.384 119.302 2.082 1
1 20 . 16 1 1 A 11 11 LYS H H 11 8.303 7.794 0.509 1
1 21 . 16 1 1 A 11 11 LYS CA C 11 53.617 55.207 -1.590 1
1 22 . 16 1 1 A 11 11 LYS HA H 11 4.442 4.295 0.147 1
1 23 . 16 1 1 A 11 11 LYS CB C 11 32.516 32.248 0.268 1
1 31 . 16 1 1 A 11 11 LYS C C 11 174.008 176.949 -2.941 1
1 36 . 16 1 1 A 12 12 PRO CA C 12 63.810 64.858 -1.048 1
1 37 . 16 1 1 A 12 12 PRO HA H 12 4.209 4.241 -0.032 1
1 38 . 16 1 1 A 12 12 PRO CB C 12 32.136 31.684 0.452 1
1 44 . 16 1 1 A 12 12 PRO C C 12 176.465 175.793 0.672 1
1 48 . 16 1 1 A 13 13 TYR N N 13 118.430 118.243 0.187 1
1 49 . 16 1 1 A 13 13 TYR H H 13 7.828 7.366 0.462 1
1 50 . 16 1 1 A 13 13 TYR CA C 13 57.575 57.129 0.446 1
1 51 . 16 1 1 A 13 13 TYR HA H 13 4.633 5.300 -0.667 1
1 52 . 16 1 1 A 13 13 TYR CB C 13 38.137 41.547 -3.410 1
1 62 . 16 1 1 A 13 13 TYR C C 13 174.444 174.960 -0.516 1
1 64 . 16 1 1 A 14 14 LYS N N 14 124.304 120.888 3.416 1
1 65 . 16 1 1 A 14 14 LYS H H 14 8.454 8.801 -0.347 1
1 66 . 16 1 1 A 14 14 LYS CA C 14 54.800 54.095 0.705 1
1 67 . 16 1 1 A 14 14 LYS HA H 14 5.039 5.417 -0.378 1
1 68 . 16 1 1 A 14 14 LYS CB C 14 35.164 36.264 -1.100 1
1 76 . 16 1 1 A 14 14 LYS C C 14 175.455 175.320 0.135 1
1 81 . 16 1 1 A 15 15 CYS N N 15 126.669 123.373 3.296 1
1 82 . 16 1 1 A 15 15 CYS H H 15 9.138 8.966 0.172 1
1 83 . 16 1 1 A 15 15 CYS CA C 15 59.488 59.765 -0.277 1
1 84 . 16 1 1 A 15 15 CYS HA H 15 4.611 4.622 -0.011 1
1 85 . 16 1 1 A 15 15 CYS CB C 15 29.705 28.787 0.918 1
1 87 . 16 1 1 A 15 15 CYS C C 15 177.944 175.056 2.888 1
1 89 . 16 1 1 A 16 16 VAL N N 16 130.449 124.787 5.662 1
1 90 . 16 1 1 A 16 16 VAL H H 16 9.093 8.696 0.397 1
1 91 . 16 1 1 A 16 16 VAL CA C 16 64.724 63.680 1.044 1
1 92 . 16 1 1 A 16 16 VAL HA H 16 3.962 4.181 -0.219 1
1 93 . 16 1 1 A 16 16 VAL CB C 16 31.834 32.848 -1.014 1
1 103 . 16 1 1 A 16 16 VAL C C 16 176.285 177.399 -1.114 1
1 104 . 16 1 1 A 17 17 GLU N N 17 121.787 120.755 1.032 1
1 105 . 16 1 1 A 17 17 GLU H H 17 8.559 7.643 0.916 1
1 106 . 16 1 1 A 17 17 GLU CA C 17 58.471 58.836 -0.365 1
1 107 . 16 1 1 A 17 17 GLU HA H 17 4.214 3.970 0.244 1
1 108 . 16 1 1 A 17 17 GLU CB C 17 29.377 29.545 -0.168 1
1 112 . 16 1 1 A 17 17 GLU C C 17 177.492 178.137 -0.645 1
1 115 . 16 1 1 A 18 18 CYS N N 18 114.939 114.902 0.037 1
1 116 . 16 1 1 A 18 18 CYS H H 18 8.082 7.916 0.166 1
1 117 . 16 1 1 A 18 18 CYS CA C 18 58.471 59.556 -1.085 1
1 118 . 16 1 1 A 18 18 CYS HA H 18 5.192 4.653 0.539 1
1 119 . 16 1 1 A 18 18 CYS CB C 18 32.509 29.826 2.683 1
1 121 . 16 1 1 A 18 18 CYS C C 18 176.460 175.460 1.000 1
1 123 . 16 1 1 A 19 19 GLY N N 19 113.538 110.376 3.162 1
1 124 . 16 1 1 A 19 19 GLY H H 19 8.196 8.191 0.005 1
1 125 . 16 1 1 A 19 19 GLY CA C 19 46.242 45.364 0.878 1
1 126 . 16 1 1 A 19 19 GLY HA3 H 19 4.259 4.046 0.213 1
1 127 . 16 1 1 A 19 19 GLY C C 19 173.676 174.665 -0.989 1
1 128 . 16 1 1 A 19 19 GLY HA2 H 19 3.798 4.039 -0.241 1
1 129 . 16 1 1 A 20 20 LYS N N 20 123.263 122.083 1.180 1
1 130 . 16 1 1 A 20 20 LYS H H 20 7.926 7.555 0.371 1
1 131 . 16 1 1 A 20 20 LYS CA C 20 58.523 56.050 2.473 1
1 132 . 16 1 1 A 20 20 LYS HA H 20 3.981 4.335 -0.354 1
1 133 . 16 1 1 A 20 20 LYS CB C 20 33.810 33.711 0.099 1
1 141 . 16 1 1 A 20 20 LYS C C 20 175.052 176.032 -0.980 1
1 146 . 16 1 1 A 21 21 GLY N N 21 108.411 109.968 -1.557 1
1 147 . 16 1 1 A 21 21 GLY H H 21 7.976 8.429 -0.453 1
1 148 . 16 1 1 A 21 21 GLY CA C 21 44.194 44.470 -0.276 1
1 149 . 16 1 1 A 21 21 GLY HA3 H 21 4.999 4.460 0.539 1
1 150 . 16 1 1 A 21 21 GLY C C 21 172.339 171.521 0.818 1
1 151 . 16 1 1 A 21 21 GLY HA2 H 21 3.313 4.358 -1.045 1
1 152 . 16 1 1 A 22 22 TYR N N 22 118.701 123.275 -4.574 1
1 153 . 16 1 1 A 22 22 TYR H H 22 8.712 9.548 -0.836 1
1 154 . 16 1 1 A 22 22 TYR CA C 22 58.193 56.454 1.739 1
1 155 . 16 1 1 A 22 22 TYR HA H 22 4.627 5.002 -0.375 1
1 156 . 16 1 1 A 22 22 TYR CB C 22 43.318 42.415 0.903 1
1 166 . 16 1 1 A 22 22 TYR C C 22 175.114 175.913 -0.799 1
1 168 . 16 1 1 A 23 23 LYS N N 23 120.476 124.214 -3.738 1
1 169 . 16 1 1 A 23 23 LYS H H 23 9.060 8.959 0.101 1
1 170 . 16 1 1 A 23 23 LYS CA C 23 58.595 58.540 0.055 1
1 171 . 16 1 1 A 23 23 LYS HA H 23 4.450 4.244 0.206 1
1 172 . 16 1 1 A 23 23 LYS CB C 23 33.830 33.077 0.753 1
1 180 . 16 1 1 A 23 23 LYS C C 23 176.227 176.179 0.048 1
1 185 . 16 1 1 A 24 24 ARG N N 24 114.342 119.346 -5.004 1
1 186 . 16 1 1 A 24 24 ARG H H 24 7.929 7.909 0.020 1
1 187 . 16 1 1 A 24 24 ARG CA C 24 53.954 54.670 -0.716 1
1 188 . 16 1 1 A 24 24 ARG HA H 24 4.786 4.831 -0.045 1
1 189 . 16 1 1 A 24 24 ARG CB C 24 32.890 32.947 -0.057 1
1 195 . 16 1 1 A 24 24 ARG C C 24 176.136 176.221 -0.085 1
1 199 . 16 1 1 A 25 25 ARG N N 25 127.212 126.390 0.822 1
1 200 . 16 1 1 A 25 25 ARG H H 25 8.379 8.529 -0.150 1
1 201 . 16 1 1 A 25 25 ARG CA C 25 58.968 58.721 0.247 1
1 202 . 16 1 1 A 25 25 ARG HA H 25 3.047 3.189 -0.142 1
1 203 . 16 1 1 A 25 25 ARG CB C 25 28.874 29.252 -0.378 1
1 209 . 16 1 1 A 25 25 ARG C C 25 178.039 177.662 0.377 1
1 213 . 16 1 1 A 26 26 LEU N N 26 117.424 120.211 -2.787 1
1 214 . 16 1 1 A 26 26 LEU H H 26 8.321 8.018 0.303 1
1 215 . 16 1 1 A 26 26 LEU CA C 26 57.922 57.958 -0.036 1
1 216 . 16 1 1 A 26 26 LEU HA H 26 4.008 3.979 0.029 1
1 217 . 16 1 1 A 26 26 LEU CB C 26 42.295 41.595 0.700 1
1 229 . 16 1 1 A 26 26 LEU C C 26 178.591 178.133 0.458 1
1 231 . 16 1 1 A 27 27 ASP N N 27 116.153 118.974 -2.821 1
1 232 . 16 1 1 A 27 27 ASP H H 27 6.677 7.886 -1.209 1
1 233 . 16 1 1 A 27 27 ASP CA C 27 56.775 56.894 -0.119 1
1 234 . 16 1 1 A 27 27 ASP HA H 27 4.419 4.326 0.093 1
1 235 . 16 1 1 A 27 27 ASP CB C 27 40.901 40.749 0.152 1
1 237 . 16 1 1 A 27 27 ASP C C 27 178.564 178.676 -0.112 1
1 239 . 16 1 1 A 28 28 LEU N N 28 122.965 120.859 2.106 1
1 240 . 16 1 1 A 28 28 LEU H H 28 7.010 7.588 -0.578 1
1 241 . 16 1 1 A 28 28 LEU CA C 28 57.793 57.995 -0.202 1
1 242 . 16 1 1 A 28 28 LEU HA H 28 3.620 3.303 0.317 1
1 243 . 16 1 1 A 28 28 LEU CB C 28 40.261 41.183 -0.922 1
1 255 . 16 1 1 A 28 28 LEU C C 28 177.807 178.110 -0.303 1
1 257 . 16 1 1 A 29 29 ASP N N 29 120.296 118.832 1.464 1
1 258 . 16 1 1 A 29 29 ASP H H 29 8.371 8.415 -0.044 1
1 259 . 16 1 1 A 29 29 ASP CA C 29 57.703 57.068 0.635 1
1 260 . 16 1 1 A 29 29 ASP HA H 29 4.299 4.289 0.010 1
1 261 . 16 1 1 A 29 29 ASP CB C 29 39.968 41.044 -1.076 1
1 263 . 16 1 1 A 29 29 ASP C C 29 179.252 178.295 0.957 1
1 265 . 16 1 1 A 30 30 PHE N N 30 118.906 120.055 -1.149 1
1 266 . 16 1 1 A 30 30 PHE H H 30 7.830 7.761 0.069 1
1 267 . 16 1 1 A 30 30 PHE CA C 30 60.984 60.231 0.753 1
1 268 . 16 1 1 A 30 30 PHE HA H 30 4.238 4.154 0.084 1
1 269 . 16 1 1 A 30 30 PHE CB C 30 38.859 39.603 -0.744 1
1 281 . 16 1 1 A 30 30 PHE C C 30 178.386 177.487 0.899 1
1 283 . 16 1 1 A 31 31 HIS N N 31 119.537 118.669 0.868 1
1 284 . 16 1 1 A 31 31 HIS H H 31 7.773 8.531 -0.758 1
1 285 . 16 1 1 A 31 31 HIS CA C 31 58.968 59.943 -0.975 1
1 286 . 16 1 1 A 31 31 HIS HA H 31 4.244 4.307 -0.063 1
1 287 . 16 1 1 A 31 31 HIS CB C 31 28.055 29.519 -1.464 1
1 293 . 16 1 1 A 31 31 HIS C C 31 176.042 177.206 -1.164 1
1 295 . 16 1 1 A 32 32 GLN N N 32 114.850 117.298 -2.448 1
1 296 . 16 1 1 A 32 32 GLN H H 32 8.297 8.145 0.152 1
1 297 . 16 1 1 A 32 32 GLN CA C 32 59.097 58.960 0.137 1
1 298 . 16 1 1 A 32 32 GLN HA H 32 3.694 3.822 -0.128 1
1 299 . 16 1 1 A 32 32 GLN CB C 32 28.158 28.318 -0.160 1
1 306 . 16 1 1 A 32 32 GLN C C 32 177.287 178.338 -1.051 1
1 309 . 16 1 1 A 33 33 ARG N N 33 117.557 120.285 -2.728 1
1 310 . 16 1 1 A 33 33 ARG H H 33 7.132 8.046 -0.914 1
1 311 . 16 1 1 A 33 33 ARG CA C 33 58.358 59.017 -0.659 1
1 312 . 16 1 1 A 33 33 ARG HA H 33 4.101 3.966 0.135 1
1 313 . 16 1 1 A 33 33 ARG CB C 33 29.730 29.523 0.207 1
1 319 . 16 1 1 A 33 33 ARG C C 33 178.499 179.077 -0.578 1
1 323 . 16 1 1 A 34 34 VAL N N 34 116.405 116.385 0.020 1
1 324 . 16 1 1 A 34 34 VAL H H 34 7.885 8.045 -0.160 1
1 325 . 16 1 1 A 34 34 VAL CA C 34 63.968 65.281 -1.313 1
1 326 . 16 1 1 A 34 34 VAL HA H 34 3.874 3.735 0.139 1
1 327 . 16 1 1 A 34 34 VAL CB C 34 31.122 31.219 -0.097 1
1 337 . 16 1 1 A 34 34 VAL C C 34 177.300 177.400 -0.100 1
1 338 . 16 1 1 A 35 35 HIS N N 35 117.405 119.522 -2.117 1
1 339 . 16 1 1 A 35 35 HIS H H 35 7.235 7.398 -0.163 1
1 340 . 16 1 1 A 35 35 HIS CA C 35 55.330 57.897 -2.567 1
1 341 . 16 1 1 A 35 35 HIS HA H 35 4.857 4.447 0.410 1
1 342 . 16 1 1 A 35 35 HIS CB C 35 28.661 31.209 -2.548 1
1 348 . 16 1 1 A 35 35 HIS C C 35 175.854 176.327 -0.473 1
1 350 . 16 1 1 A 36 36 THR N N 36 112.155 111.985 0.170 1
1 351 . 16 1 1 A 36 36 THR H H 36 7.788 7.396 0.392 1
1 352 . 16 1 1 A 36 36 THR CA C 36 62.772 60.948 1.824 1
1 353 . 16 1 1 A 36 36 THR HA H 36 4.328 4.390 -0.062 1
1 354 . 16 1 1 A 36 36 THR CB C 36 69.799 68.709 1.090 1
1 360 . 16 1 1 A 36 36 THR C C 36 175.542 173.718 1.824 1
1 361 . 16 1 1 A 37 37 GLY N N 37 110.545 114.989 -4.444 1
1 362 . 16 1 1 A 37 37 GLY H H 37 8.233 8.228 0.005 1
1 363 . 16 1 1 A 37 37 GLY CA C 37 45.526 46.033 -0.507 1
1 364 . 16 1 1 A 37 37 GLY HA3 H 37 4.024 4.076 -0.052 1
1 365 . 16 1 1 A 37 37 GLY C C 37 174.293 173.844 0.449 1
1 366 . 16 1 1 A 37 37 GLY HA2 H 37 3.942 4.076 -0.134 1
1 367 . 16 1 1 A 38 38 GLU N N 38 120.757 122.123 -1.366 1
1 368 . 16 1 1 A 38 38 GLU H H 38 8.087 8.159 -0.072 1
1 369 . 16 1 1 A 38 38 GLU CA C 38 56.756 57.435 -0.679 1
1 370 . 16 1 1 A 38 38 GLU HA H 38 4.226 4.346 -0.120 1
1 371 . 16 1 1 A 38 38 GLU CB C 38 30.420 30.877 -0.457 1
1 375 . 16 1 1 A 38 38 GLU C C 38 176.480 176.056 0.424 1
1 378 . 16 1 1 A 39 39 LYS N N 39 122.154 121.629 0.525 1
1 379 . 16 1 1 A 39 39 LYS H H 39 8.322 7.614 0.708 1
1 380 . 16 1 1 A 39 39 LYS CA C 39 56.239 56.372 -0.133 1
1 381 . 16 1 1 A 39 39 LYS HA H 39 4.315 4.280 0.035 1
1 382 . 16 1 1 A 39 39 LYS CB C 39 32.799 33.026 -0.227 1
1 390 . 16 1 1 A 39 39 LYS C C 39 176.535 176.296 0.239 1
1 395 . 16 1 1 A 40 40 LEU N N 40 123.630 122.097 1.533 1
1 396 . 16 1 1 A 40 40 LEU H H 40 8.299 8.475 -0.176 1
1 397 . 16 1 1 A 40 40 LEU CA C 40 55.167 55.093 0.074 1
1 398 . 16 1 1 A 40 40 LEU HA H 40 4.398 4.209 0.189 1
1 399 . 16 1 1 A 40 40 LEU CB C 40 42.364 42.734 -0.370 1
1 411 . 16 1 1 A 40 40 LEU C C 40 177.392 176.724 0.668 1
1 413 . 16 1 1 A 41 41 SER N N 41 116.506 114.562 1.944 1
1 414 . 16 1 1 A 41 41 SER H H 41 8.307 8.594 -0.287 1
1 415 . 16 1 1 A 41 41 SER CA C 41 58.290 57.513 0.777 1
1 416 . 16 1 1 A 41 41 SER HA H 41 4.449 4.720 -0.271 1
1 417 . 16 1 1 A 41 41 SER CB C 41 64.054 64.459 -0.405 1
1 419 . 16 1 1 A 41 41 SER C C 41 174.470 174.794 -0.324 1
1 421 . 16 1 1 A 42 42 GLY N N 42 110.630 108.594 2.036 1
1 422 . 16 1 1 A 42 42 GLY H H 42 8.215 8.507 -0.292 1
1 423 . 16 1 1 A 42 42 GLY CA C 42 44.768 46.556 -1.788 1
1 424 . 16 1 1 A 42 42 GLY HA3 H 42 4.145 4.481 -0.336 1
1 425 . 16 1 1 A 42 42 GLY C C 42 171.726 172.365 -0.639 1
1 426 . 16 1 1 A 42 42 GLY HA2 H 42 4.145 4.478 -0.333 1
1 427 . 16 1 1 A 43 43 PRO CA C 43 63.300 62.475 0.825 1
1 428 . 16 1 1 A 43 43 PRO HA H 43 4.487 4.475 0.012 1
1 429 . 16 1 1 A 43 43 PRO CB C 43 32.225 30.942 1.283 1
1 435 . 16 1 1 A 43 43 PRO C C 43 177.377 176.752 0.625 1
1 439 . 16 1 1 A 44 44 SER N N 44 116.384 117.664 -1.280 1
1 440 . 16 1 1 A 44 44 SER H H 44 8.538 8.495 0.043 1
1 441 . 16 1 1 A 44 44 SER CA C 44 58.396 58.056 0.340 1
1 442 . 16 1 1 A 44 44 SER HA H 44 4.462 4.733 -0.271 1
1 443 . 16 1 1 A 44 44 SER CB C 44 63.785 64.888 -1.103 1
1 445 . 16 1 1 A 44 44 SER C C 44 174.636 175.519 -0.883 1
1 447 . 16 1 1 A 45 45 SER N N 45 117.830 115.413 2.417 1
1 448 . 16 1 1 A 45 45 SER H H 45 8.331 8.128 0.203 1
1 449 . 16 1 1 A 45 45 SER CA C 45 58.388 59.509 -1.121 1
1 450 . 16 1 1 A 45 45 SER HA H 45 4.452 4.606 -0.154 1
1 451 . 16 1 1 A 45 45 SER CB C 45 64.109 64.868 -0.759 1
1 453 . 16 1 1 A 45 45 SER C C 45 173.898 175.376 -1.478 1
1 4 . 17 1 1 A 9 9 GLY CA C 9 45.254 44.820 0.434 1
1 5 . 17 1 1 A 9 9 GLY HA3 H 9 3.953 3.994 -0.041 1
1 6 . 17 1 1 A 9 9 GLY C C 9 174.042 172.713 1.329 1
1 7 . 17 1 1 A 9 9 GLY HA2 H 9 3.953 3.986 -0.033 1
1 8 . 17 1 1 A 10 10 GLU N N 10 120.168 118.792 1.376 1
1 9 . 17 1 1 A 10 10 GLU H H 10 8.189 8.572 -0.383 1
1 10 . 17 1 1 A 10 10 GLU CA C 10 56.864 55.036 1.828 1
1 11 . 17 1 1 A 10 10 GLU HA H 10 4.190 5.051 -0.861 1
1 12 . 17 1 1 A 10 10 GLU CB C 10 30.408 33.282 -2.874 1
1 16 . 17 1 1 A 10 10 GLU C C 10 176.310 175.174 1.136 1
1 19 . 17 1 1 A 11 11 LYS N N 11 121.384 124.682 -3.298 1
1 20 . 17 1 1 A 11 11 LYS H H 11 8.303 8.450 -0.147 1
1 21 . 17 1 1 A 11 11 LYS CA C 11 53.617 53.200 0.417 1
1 22 . 17 1 1 A 11 11 LYS HA H 11 4.442 4.815 -0.373 1
1 23 . 17 1 1 A 11 11 LYS CB C 11 32.516 33.853 -1.337 1
1 31 . 17 1 1 A 11 11 LYS C C 11 174.008 176.304 -2.296 1
1 36 . 17 1 1 A 12 12 PRO CA C 12 63.810 64.972 -1.162 1
1 37 . 17 1 1 A 12 12 PRO HA H 12 4.209 4.253 -0.044 1
1 38 . 17 1 1 A 12 12 PRO CB C 12 32.136 31.617 0.519 1
1 44 . 17 1 1 A 12 12 PRO C C 12 176.465 175.898 0.567 1
1 48 . 17 1 1 A 13 13 TYR N N 13 118.430 118.172 0.258 1
1 49 . 17 1 1 A 13 13 TYR H H 13 7.828 7.743 0.085 1
1 50 . 17 1 1 A 13 13 TYR CA C 13 57.575 58.191 -0.616 1
1 51 . 17 1 1 A 13 13 TYR HA H 13 4.633 4.846 -0.213 1
1 52 . 17 1 1 A 13 13 TYR CB C 13 38.137 40.188 -2.051 1
1 62 . 17 1 1 A 13 13 TYR C C 13 174.444 175.970 -1.526 1
1 64 . 17 1 1 A 14 14 LYS N N 14 124.304 121.229 3.075 1
1 65 . 17 1 1 A 14 14 LYS H H 14 8.454 8.933 -0.479 1
1 66 . 17 1 1 A 14 14 LYS CA C 14 54.800 54.253 0.547 1
1 67 . 17 1 1 A 14 14 LYS HA H 14 5.039 5.261 -0.222 1
1 68 . 17 1 1 A 14 14 LYS CB C 14 35.164 36.462 -1.298 1
1 76 . 17 1 1 A 14 14 LYS C C 14 175.455 175.260 0.195 1
1 81 . 17 1 1 A 15 15 CYS N N 15 126.669 122.752 3.917 1
1 82 . 17 1 1 A 15 15 CYS H H 15 9.138 8.991 0.147 1
1 83 . 17 1 1 A 15 15 CYS CA C 15 59.488 59.670 -0.182 1
1 84 . 17 1 1 A 15 15 CYS HA H 15 4.611 4.686 -0.075 1
1 85 . 17 1 1 A 15 15 CYS CB C 15 29.705 28.572 1.133 1
1 87 . 17 1 1 A 15 15 CYS C C 15 177.944 175.142 2.802 1
1 89 . 17 1 1 A 16 16 VAL N N 16 130.449 124.942 5.507 1
1 90 . 17 1 1 A 16 16 VAL H H 16 9.093 8.579 0.514 1
1 91 . 17 1 1 A 16 16 VAL CA C 16 64.724 63.465 1.259 1
1 92 . 17 1 1 A 16 16 VAL HA H 16 3.962 4.190 -0.228 1
1 93 . 17 1 1 A 16 16 VAL CB C 16 31.834 32.905 -1.071 1
1 103 . 17 1 1 A 16 16 VAL C C 16 176.285 177.525 -1.240 1
1 104 . 17 1 1 A 17 17 GLU N N 17 121.787 120.585 1.202 1
1 105 . 17 1 1 A 17 17 GLU H H 17 8.559 7.658 0.901 1
1 106 . 17 1 1 A 17 17 GLU CA C 17 58.471 58.664 -0.193 1
1 107 . 17 1 1 A 17 17 GLU HA H 17 4.214 3.979 0.235 1
1 108 . 17 1 1 A 17 17 GLU CB C 17 29.377 29.559 -0.182 1
1 112 . 17 1 1 A 17 17 GLU C C 17 177.492 177.842 -0.350 1
1 115 . 17 1 1 A 18 18 CYS N N 18 114.939 115.140 -0.201 1
1 116 . 17 1 1 A 18 18 CYS H H 18 8.082 8.010 0.072 1
1 117 . 17 1 1 A 18 18 CYS CA C 18 58.471 59.507 -1.036 1
1 118 . 17 1 1 A 18 18 CYS HA H 18 5.192 4.682 0.510 1
1 119 . 17 1 1 A 18 18 CYS CB C 18 32.509 30.129 2.380 1
1 121 . 17 1 1 A 18 18 CYS C C 18 176.460 175.568 0.892 1
1 123 . 17 1 1 A 19 19 GLY N N 19 113.538 110.385 3.153 1
1 124 . 17 1 1 A 19 19 GLY H H 19 8.196 8.280 -0.084 1
1 125 . 17 1 1 A 19 19 GLY CA C 19 46.242 45.286 0.956 1
1 126 . 17 1 1 A 19 19 GLY HA3 H 19 4.259 4.051 0.208 1
1 127 . 17 1 1 A 19 19 GLY C C 19 173.676 174.556 -0.880 1
1 128 . 17 1 1 A 19 19 GLY HA2 H 19 3.798 4.040 -0.242 1
1 129 . 17 1 1 A 20 20 LYS N N 20 123.263 122.191 1.072 1
1 130 . 17 1 1 A 20 20 LYS H H 20 7.926 7.577 0.349 1
1 131 . 17 1 1 A 20 20 LYS CA C 20 58.523 56.157 2.366 1
1 132 . 17 1 1 A 20 20 LYS HA H 20 3.981 4.311 -0.330 1
1 133 . 17 1 1 A 20 20 LYS CB C 20 33.810 33.480 0.330 1
1 141 . 17 1 1 A 20 20 LYS C C 20 175.052 175.814 -0.762 1
1 146 . 17 1 1 A 21 21 GLY N N 21 108.411 110.224 -1.813 1
1 147 . 17 1 1 A 21 21 GLY H H 21 7.976 8.345 -0.369 1
1 148 . 17 1 1 A 21 21 GLY CA C 21 44.194 44.289 -0.095 1
1 149 . 17 1 1 A 21 21 GLY HA3 H 21 4.999 4.394 0.605 1
1 150 . 17 1 1 A 21 21 GLY C C 21 172.339 171.528 0.811 1
1 151 . 17 1 1 A 21 21 GLY HA2 H 21 3.313 4.287 -0.974 1
1 152 . 17 1 1 A 22 22 TYR N N 22 118.701 123.192 -4.491 1
1 153 . 17 1 1 A 22 22 TYR H H 22 8.712 9.128 -0.416 1
1 154 . 17 1 1 A 22 22 TYR CA C 22 58.193 56.491 1.702 1
1 155 . 17 1 1 A 22 22 TYR HA H 22 4.627 4.984 -0.357 1
1 156 . 17 1 1 A 22 22 TYR CB C 22 43.318 41.712 1.606 1
1 166 . 17 1 1 A 22 22 TYR C C 22 175.114 176.290 -1.176 1
1 168 . 17 1 1 A 23 23 LYS N N 23 120.476 123.124 -2.648 1
1 169 . 17 1 1 A 23 23 LYS H H 23 9.060 8.796 0.264 1
1 170 . 17 1 1 A 23 23 LYS CA C 23 58.595 59.311 -0.716 1
1 171 . 17 1 1 A 23 23 LYS HA H 23 4.450 4.240 0.210 1
1 172 . 17 1 1 A 23 23 LYS CB C 23 33.830 32.088 1.742 1
1 180 . 17 1 1 A 23 23 LYS C C 23 176.227 176.665 -0.438 1
1 185 . 17 1 1 A 24 24 ARG N N 24 114.342 116.472 -2.130 1
1 186 . 17 1 1 A 24 24 ARG H H 24 7.929 7.786 0.143 1
1 187 . 17 1 1 A 24 24 ARG CA C 24 53.954 54.667 -0.713 1
1 188 . 17 1 1 A 24 24 ARG HA H 24 4.786 4.760 0.026 1
1 189 . 17 1 1 A 24 24 ARG CB C 24 32.890 32.557 0.333 1
1 195 . 17 1 1 A 24 24 ARG C C 24 176.136 176.165 -0.029 1
1 199 . 17 1 1 A 25 25 ARG N N 25 127.212 120.568 6.644 1
1 200 . 17 1 1 A 25 25 ARG H H 25 8.379 8.364 0.015 1
1 201 . 17 1 1 A 25 25 ARG CA C 25 58.968 57.859 1.109 1
1 202 . 17 1 1 A 25 25 ARG HA H 25 3.047 3.616 -0.569 1
1 203 . 17 1 1 A 25 25 ARG CB C 25 28.874 29.294 -0.420 1
1 209 . 17 1 1 A 25 25 ARG C C 25 178.039 177.110 0.929 1
1 213 . 17 1 1 A 26 26 LEU N N 26 117.424 121.050 -3.626 1
1 214 . 17 1 1 A 26 26 LEU H H 26 8.321 7.833 0.488 1
1 215 . 17 1 1 A 26 26 LEU CA C 26 57.922 57.783 0.139 1
1 216 . 17 1 1 A 26 26 LEU HA H 26 4.008 4.002 0.006 1
1 217 . 17 1 1 A 26 26 LEU CB C 26 42.295 41.406 0.889 1
1 229 . 17 1 1 A 26 26 LEU C C 26 178.591 177.927 0.664 1
1 231 . 17 1 1 A 27 27 ASP N N 27 116.153 118.781 -2.628 1
1 232 . 17 1 1 A 27 27 ASP H H 27 6.677 8.232 -1.555 1
1 233 . 17 1 1 A 27 27 ASP CA C 27 56.775 56.993 -0.218 1
1 234 . 17 1 1 A 27 27 ASP HA H 27 4.419 4.448 -0.029 1
1 235 . 17 1 1 A 27 27 ASP CB C 27 40.901 40.859 0.042 1
1 237 . 17 1 1 A 27 27 ASP C C 27 178.564 178.591 -0.027 1
1 239 . 17 1 1 A 28 28 LEU N N 28 122.965 120.981 1.984 1
1 240 . 17 1 1 A 28 28 LEU H H 28 7.010 7.417 -0.407 1
1 241 . 17 1 1 A 28 28 LEU CA C 28 57.793 57.803 -0.010 1
1 242 . 17 1 1 A 28 28 LEU HA H 28 3.620 3.193 0.427 1
1 243 . 17 1 1 A 28 28 LEU CB C 28 40.261 41.404 -1.143 1
1 255 . 17 1 1 A 28 28 LEU C C 28 177.807 177.931 -0.124 1
1 257 . 17 1 1 A 29 29 ASP N N 29 120.296 118.872 1.424 1
1 258 . 17 1 1 A 29 29 ASP H H 29 8.371 8.343 0.028 1
1 259 . 17 1 1 A 29 29 ASP CA C 29 57.703 57.059 0.644 1
1 260 . 17 1 1 A 29 29 ASP HA H 29 4.299 4.310 -0.011 1
1 261 . 17 1 1 A 29 29 ASP CB C 29 39.968 41.070 -1.102 1
1 263 . 17 1 1 A 29 29 ASP C C 29 179.252 178.067 1.185 1
1 265 . 17 1 1 A 30 30 PHE N N 30 118.906 120.002 -1.096 1
1 266 . 17 1 1 A 30 30 PHE H H 30 7.830 7.551 0.279 1
1 267 . 17 1 1 A 30 30 PHE CA C 30 60.984 60.334 0.650 1
1 268 . 17 1 1 A 30 30 PHE HA H 30 4.238 4.116 0.122 1
1 269 . 17 1 1 A 30 30 PHE CB C 30 38.859 39.442 -0.583 1
1 281 . 17 1 1 A 30 30 PHE C C 30 178.386 177.493 0.893 1
1 283 . 17 1 1 A 31 31 HIS N N 31 119.537 118.624 0.913 1
1 284 . 17 1 1 A 31 31 HIS H H 31 7.773 8.459 -0.686 1
1 285 . 17 1 1 A 31 31 HIS CA C 31 58.968 60.141 -1.173 1
1 286 . 17 1 1 A 31 31 HIS HA H 31 4.244 4.242 0.002 1
1 287 . 17 1 1 A 31 31 HIS CB C 31 28.055 29.424 -1.369 1
1 293 . 17 1 1 A 31 31 HIS C C 31 176.042 177.278 -1.236 1
1 295 . 17 1 1 A 32 32 GLN N N 32 114.850 117.584 -2.734 1
1 296 . 17 1 1 A 32 32 GLN H H 32 8.297 8.054 0.243 1
1 297 . 17 1 1 A 32 32 GLN CA C 32 59.097 58.972 0.125 1
1 298 . 17 1 1 A 32 32 GLN HA H 32 3.694 3.797 -0.103 1
1 299 . 17 1 1 A 32 32 GLN CB C 32 28.158 28.300 -0.142 1
1 306 . 17 1 1 A 32 32 GLN C C 32 177.287 178.663 -1.376 1
1 309 . 17 1 1 A 33 33 ARG N N 33 117.557 120.249 -2.692 1
1 310 . 17 1 1 A 33 33 ARG H H 33 7.132 8.139 -1.007 1
1 311 . 17 1 1 A 33 33 ARG CA C 33 58.358 58.829 -0.471 1
1 312 . 17 1 1 A 33 33 ARG HA H 33 4.101 4.137 -0.036 1
1 313 . 17 1 1 A 33 33 ARG CB C 33 29.730 29.799 -0.069 1
1 319 . 17 1 1 A 33 33 ARG C C 33 178.499 178.735 -0.236 1
1 323 . 17 1 1 A 34 34 VAL N N 34 116.405 116.369 0.036 1
1 324 . 17 1 1 A 34 34 VAL H H 34 7.885 7.656 0.229 1
1 325 . 17 1 1 A 34 34 VAL CA C 34 63.968 65.292 -1.324 1
1 326 . 17 1 1 A 34 34 VAL HA H 34 3.874 3.684 0.190 1
1 327 . 17 1 1 A 34 34 VAL CB C 34 31.122 31.314 -0.192 1
1 337 . 17 1 1 A 34 34 VAL C C 34 177.300 178.075 -0.775 1
1 338 . 17 1 1 A 35 35 HIS N N 35 117.405 120.044 -2.639 1
1 339 . 17 1 1 A 35 35 HIS H H 35 7.235 7.726 -0.491 1
1 340 . 17 1 1 A 35 35 HIS CA C 35 55.330 59.448 -4.118 1
1 341 . 17 1 1 A 35 35 HIS HA H 35 4.857 4.259 0.598 1
1 342 . 17 1 1 A 35 35 HIS CB C 35 28.661 30.570 -1.909 1
1 348 . 17 1 1 A 35 35 HIS C C 35 175.854 175.773 0.081 1
1 350 . 17 1 1 A 36 36 THR N N 36 112.155 109.539 2.616 1
1 351 . 17 1 1 A 36 36 THR H H 36 7.788 7.660 0.128 1
1 352 . 17 1 1 A 36 36 THR CA C 36 62.772 62.228 0.544 1
1 353 . 17 1 1 A 36 36 THR HA H 36 4.328 4.255 0.073 1
1 354 . 17 1 1 A 36 36 THR CB C 36 69.799 68.039 1.760 1
1 360 . 17 1 1 A 36 36 THR C C 36 175.542 174.741 0.801 1
1 361 . 17 1 1 A 37 37 GLY N N 37 110.545 112.469 -1.924 1
1 362 . 17 1 1 A 37 37 GLY H H 37 8.233 7.938 0.295 1
1 363 . 17 1 1 A 37 37 GLY CA C 37 45.526 45.448 0.078 1
1 364 . 17 1 1 A 37 37 GLY HA3 H 37 4.024 4.015 0.009 1
1 365 . 17 1 1 A 37 37 GLY C C 37 174.293 174.830 -0.537 1
1 366 . 17 1 1 A 37 37 GLY HA2 H 37 3.942 4.013 -0.071 1
1 367 . 17 1 1 A 38 38 GLU N N 38 120.757 121.474 -0.717 1
1 368 . 17 1 1 A 38 38 GLU H H 38 8.087 7.474 0.613 1
1 369 . 17 1 1 A 38 38 GLU CA C 38 56.756 57.548 -0.792 1
1 370 . 17 1 1 A 38 38 GLU HA H 38 4.226 4.305 -0.079 1
1 371 . 17 1 1 A 38 38 GLU CB C 38 30.420 30.219 0.201 1
1 375 . 17 1 1 A 38 38 GLU C C 38 176.480 176.252 0.228 1
1 378 . 17 1 1 A 39 39 LYS N N 39 122.154 123.520 -1.366 1
1 379 . 17 1 1 A 39 39 LYS H H 39 8.322 8.751 -0.429 1
1 380 . 17 1 1 A 39 39 LYS CA C 39 56.239 56.280 -0.041 1
1 381 . 17 1 1 A 39 39 LYS HA H 39 4.315 4.269 0.046 1
1 382 . 17 1 1 A 39 39 LYS CB C 39 32.799 33.537 -0.738 1
1 390 . 17 1 1 A 39 39 LYS C C 39 176.535 177.467 -0.932 1
1 395 . 17 1 1 A 40 40 LEU N N 40 123.630 124.760 -1.130 1
1 396 . 17 1 1 A 40 40 LEU H H 40 8.299 8.953 -0.654 1
1 397 . 17 1 1 A 40 40 LEU CA C 40 55.167 55.652 -0.485 1
1 398 . 17 1 1 A 40 40 LEU HA H 40 4.398 4.058 0.340 1
1 399 . 17 1 1 A 40 40 LEU CB C 40 42.364 39.849 2.515 1
1 411 . 17 1 1 A 40 40 LEU C C 40 177.392 176.606 0.786 1
1 413 . 17 1 1 A 41 41 SER N N 41 116.506 116.437 0.069 1
1 414 . 17 1 1 A 41 41 SER H H 41 8.307 7.868 0.439 1
1 415 . 17 1 1 A 41 41 SER CA C 41 58.290 58.877 -0.587 1
1 416 . 17 1 1 A 41 41 SER HA H 41 4.449 4.358 0.091 1
1 417 . 17 1 1 A 41 41 SER CB C 41 64.054 63.541 0.513 1
1 419 . 17 1 1 A 41 41 SER C C 41 174.470 174.629 -0.159 1
1 421 . 17 1 1 A 42 42 GLY N N 42 110.630 109.343 1.287 1
1 422 . 17 1 1 A 42 42 GLY H H 42 8.215 8.425 -0.210 1
1 423 . 17 1 1 A 42 42 GLY CA C 42 44.768 45.431 -0.663 1
1 424 . 17 1 1 A 42 42 GLY HA3 H 42 4.145 4.411 -0.266 1
1 425 . 17 1 1 A 42 42 GLY C C 42 171.726 172.420 -0.694 1
1 426 . 17 1 1 A 42 42 GLY HA2 H 42 4.145 4.409 -0.264 1
1 427 . 17 1 1 A 43 43 PRO CA C 43 63.300 62.648 0.652 1
1 428 . 17 1 1 A 43 43 PRO HA H 43 4.487 4.621 -0.134 1
1 429 . 17 1 1 A 43 43 PRO CB C 43 32.225 31.391 0.834 1
1 435 . 17 1 1 A 43 43 PRO C C 43 177.377 176.423 0.954 1
1 439 . 17 1 1 A 44 44 SER N N 44 116.384 119.508 -3.124 1
1 440 . 17 1 1 A 44 44 SER H H 44 8.538 8.731 -0.193 1
1 441 . 17 1 1 A 44 44 SER CA C 44 58.396 59.208 -0.812 1
1 442 . 17 1 1 A 44 44 SER HA H 44 4.462 4.625 -0.163 1
1 443 . 17 1 1 A 44 44 SER CB C 44 63.785 65.442 -1.657 1
1 445 . 17 1 1 A 44 44 SER C C 44 174.636 174.105 0.531 1
1 447 . 17 1 1 A 45 45 SER N N 45 117.830 115.860 1.970 1
1 448 . 17 1 1 A 45 45 SER H H 45 8.331 7.840 0.491 1
1 449 . 17 1 1 A 45 45 SER CA C 45 58.388 60.204 -1.816 1
1 450 . 17 1 1 A 45 45 SER HA H 45 4.452 4.325 0.127 1
1 451 . 17 1 1 A 45 45 SER CB C 45 64.109 62.179 1.930 1
1 453 . 17 1 1 A 45 45 SER C C 45 173.898 175.453 -1.555 1
1 4 . 18 1 1 A 9 9 GLY CA C 9 45.254 44.654 0.600 1
1 5 . 18 1 1 A 9 9 GLY HA3 H 9 3.953 4.001 -0.048 1
1 6 . 18 1 1 A 9 9 GLY C C 9 174.042 172.145 1.897 1
1 7 . 18 1 1 A 9 9 GLY HA2 H 9 3.953 3.998 -0.045 1
1 8 . 18 1 1 A 10 10 GLU N N 10 120.168 122.039 -1.871 1
1 9 . 18 1 1 A 10 10 GLU H H 10 8.189 8.556 -0.367 1
1 10 . 18 1 1 A 10 10 GLU CA C 10 56.864 54.935 1.929 1
1 11 . 18 1 1 A 10 10 GLU HA H 10 4.190 5.201 -1.011 1
1 12 . 18 1 1 A 10 10 GLU CB C 10 30.408 32.910 -2.502 1
1 16 . 18 1 1 A 10 10 GLU C C 10 176.310 174.902 1.408 1
1 19 . 18 1 1 A 11 11 LYS N N 11 121.384 126.180 -4.796 1
1 20 . 18 1 1 A 11 11 LYS H H 11 8.303 8.415 -0.112 1
1 21 . 18 1 1 A 11 11 LYS CA C 11 53.617 53.200 0.417 1
1 22 . 18 1 1 A 11 11 LYS HA H 11 4.442 4.751 -0.309 1
1 23 . 18 1 1 A 11 11 LYS CB C 11 32.516 33.640 -1.124 1
1 31 . 18 1 1 A 11 11 LYS C C 11 174.008 176.223 -2.215 1
1 36 . 18 1 1 A 12 12 PRO CA C 12 63.810 64.922 -1.112 1
1 37 . 18 1 1 A 12 12 PRO HA H 12 4.209 4.273 -0.064 1
1 38 . 18 1 1 A 12 12 PRO CB C 12 32.136 31.584 0.552 1
1 44 . 18 1 1 A 12 12 PRO C C 12 176.465 175.905 0.560 1
1 48 . 18 1 1 A 13 13 TYR N N 13 118.430 118.203 0.227 1
1 49 . 18 1 1 A 13 13 TYR H H 13 7.828 7.734 0.094 1
1 50 . 18 1 1 A 13 13 TYR CA C 13 57.575 57.451 0.124 1
1 51 . 18 1 1 A 13 13 TYR HA H 13 4.633 5.111 -0.478 1
1 52 . 18 1 1 A 13 13 TYR CB C 13 38.137 41.148 -3.011 1
1 62 . 18 1 1 A 13 13 TYR C C 13 174.444 175.063 -0.619 1
1 64 . 18 1 1 A 14 14 LYS N N 14 124.304 120.755 3.549 1
1 65 . 18 1 1 A 14 14 LYS H H 14 8.454 8.655 -0.201 1
1 66 . 18 1 1 A 14 14 LYS CA C 14 54.800 54.341 0.459 1
1 67 . 18 1 1 A 14 14 LYS HA H 14 5.039 5.307 -0.268 1
1 68 . 18 1 1 A 14 14 LYS CB C 14 35.164 36.312 -1.148 1
1 76 . 18 1 1 A 14 14 LYS C C 14 175.455 175.191 0.264 1
1 81 . 18 1 1 A 15 15 CYS N N 15 126.669 123.310 3.359 1
1 82 . 18 1 1 A 15 15 CYS H H 15 9.138 9.091 0.047 1
1 83 . 18 1 1 A 15 15 CYS CA C 15 59.488 59.647 -0.159 1
1 84 . 18 1 1 A 15 15 CYS HA H 15 4.611 4.649 -0.038 1
1 85 . 18 1 1 A 15 15 CYS CB C 15 29.705 28.491 1.214 1
1 87 . 18 1 1 A 15 15 CYS C C 15 177.944 174.903 3.041 1
1 89 . 18 1 1 A 16 16 VAL N N 16 130.449 124.390 6.059 1
1 90 . 18 1 1 A 16 16 VAL H H 16 9.093 8.559 0.534 1
1 91 . 18 1 1 A 16 16 VAL CA C 16 64.724 63.595 1.129 1
1 92 . 18 1 1 A 16 16 VAL HA H 16 3.962 4.198 -0.236 1
1 93 . 18 1 1 A 16 16 VAL CB C 16 31.834 33.072 -1.238 1
1 103 . 18 1 1 A 16 16 VAL C C 16 176.285 177.505 -1.220 1
1 104 . 18 1 1 A 17 17 GLU N N 17 121.787 120.786 1.001 1
1 105 . 18 1 1 A 17 17 GLU H H 17 8.559 7.625 0.934 1
1 106 . 18 1 1 A 17 17 GLU CA C 17 58.471 58.704 -0.233 1
1 107 . 18 1 1 A 17 17 GLU HA H 17 4.214 3.957 0.257 1
1 108 . 18 1 1 A 17 17 GLU CB C 17 29.377 29.349 0.028 1
1 112 . 18 1 1 A 17 17 GLU C C 17 177.492 177.869 -0.377 1
1 115 . 18 1 1 A 18 18 CYS N N 18 114.939 115.146 -0.207 1
1 116 . 18 1 1 A 18 18 CYS H H 18 8.082 7.949 0.133 1
1 117 . 18 1 1 A 18 18 CYS CA C 18 58.471 59.455 -0.984 1
1 118 . 18 1 1 A 18 18 CYS HA H 18 5.192 4.696 0.496 1
1 119 . 18 1 1 A 18 18 CYS CB C 18 32.509 30.316 2.193 1
1 121 . 18 1 1 A 18 18 CYS C C 18 176.460 175.651 0.809 1
1 123 . 18 1 1 A 19 19 GLY N N 19 113.538 110.437 3.101 1
1 124 . 18 1 1 A 19 19 GLY H H 19 8.196 8.210 -0.014 1
1 125 . 18 1 1 A 19 19 GLY CA C 19 46.242 45.295 0.947 1
1 126 . 18 1 1 A 19 19 GLY HA3 H 19 4.259 4.038 0.221 1
1 127 . 18 1 1 A 19 19 GLY C C 19 173.676 174.643 -0.967 1
1 128 . 18 1 1 A 19 19 GLY HA2 H 19 3.798 4.029 -0.231 1
1 129 . 18 1 1 A 20 20 LYS N N 20 123.263 122.529 0.734 1
1 130 . 18 1 1 A 20 20 LYS H H 20 7.926 7.516 0.410 1
1 131 . 18 1 1 A 20 20 LYS CA C 20 58.523 56.612 1.911 1
1 132 . 18 1 1 A 20 20 LYS HA H 20 3.981 4.212 -0.231 1
1 133 . 18 1 1 A 20 20 LYS CB C 20 33.810 33.683 0.127 1
1 141 . 18 1 1 A 20 20 LYS C C 20 175.052 175.726 -0.674 1
1 146 . 18 1 1 A 21 21 GLY N N 21 108.411 111.377 -2.966 1
1 147 . 18 1 1 A 21 21 GLY H H 21 7.976 8.317 -0.341 1
1 148 . 18 1 1 A 21 21 GLY CA C 21 44.194 44.437 -0.243 1
1 149 . 18 1 1 A 21 21 GLY HA3 H 21 4.999 4.249 0.750 1
1 150 . 18 1 1 A 21 21 GLY C C 21 172.339 171.687 0.652 1
1 151 . 18 1 1 A 21 21 GLY HA2 H 21 3.313 4.171 -0.858 1
1 152 . 18 1 1 A 22 22 TYR N N 22 118.701 124.487 -5.786 1
1 153 . 18 1 1 A 22 22 TYR H H 22 8.712 9.014 -0.302 1
1 154 . 18 1 1 A 22 22 TYR CA C 22 58.193 57.113 1.080 1
1 155 . 18 1 1 A 22 22 TYR HA H 22 4.627 5.050 -0.423 1
1 156 . 18 1 1 A 22 22 TYR CB C 22 43.318 40.993 2.325 1
1 166 . 18 1 1 A 22 22 TYR C C 22 175.114 176.371 -1.257 1
1 168 . 18 1 1 A 23 23 LYS N N 23 120.476 124.343 -3.867 1
1 169 . 18 1 1 A 23 23 LYS H H 23 9.060 8.782 0.278 1
1 170 . 18 1 1 A 23 23 LYS CA C 23 58.595 59.587 -0.992 1
1 171 . 18 1 1 A 23 23 LYS HA H 23 4.450 4.128 0.322 1
1 172 . 18 1 1 A 23 23 LYS CB C 23 33.830 32.400 1.430 1
1 180 . 18 1 1 A 23 23 LYS C C 23 176.227 176.737 -0.510 1
1 185 . 18 1 1 A 24 24 ARG N N 24 114.342 115.843 -1.501 1
1 186 . 18 1 1 A 24 24 ARG H H 24 7.929 7.682 0.247 1
1 187 . 18 1 1 A 24 24 ARG CA C 24 53.954 54.663 -0.709 1
1 188 . 18 1 1 A 24 24 ARG HA H 24 4.786 4.964 -0.178 1
1 189 . 18 1 1 A 24 24 ARG CB C 24 32.890 32.965 -0.075 1
1 195 . 18 1 1 A 24 24 ARG C C 24 176.136 175.993 0.143 1
1 199 . 18 1 1 A 25 25 ARG N N 25 127.212 120.592 6.620 1
1 200 . 18 1 1 A 25 25 ARG H H 25 8.379 8.196 0.183 1
1 201 . 18 1 1 A 25 25 ARG CA C 25 58.968 58.108 0.860 1
1 202 . 18 1 1 A 25 25 ARG HA H 25 3.047 3.472 -0.425 1
1 203 . 18 1 1 A 25 25 ARG CB C 25 28.874 29.338 -0.464 1
1 209 . 18 1 1 A 25 25 ARG C C 25 178.039 177.569 0.470 1
1 213 . 18 1 1 A 26 26 LEU N N 26 117.424 120.309 -2.885 1
1 214 . 18 1 1 A 26 26 LEU H H 26 8.321 7.966 0.355 1
1 215 . 18 1 1 A 26 26 LEU CA C 26 57.922 58.183 -0.261 1
1 216 . 18 1 1 A 26 26 LEU HA H 26 4.008 3.922 0.086 1
1 217 . 18 1 1 A 26 26 LEU CB C 26 42.295 41.903 0.392 1
1 229 . 18 1 1 A 26 26 LEU C C 26 178.591 178.050 0.541 1
1 231 . 18 1 1 A 27 27 ASP N N 27 116.153 118.826 -2.673 1
1 232 . 18 1 1 A 27 27 ASP H H 27 6.677 8.015 -1.338 1
1 233 . 18 1 1 A 27 27 ASP CA C 27 56.775 56.932 -0.157 1
1 234 . 18 1 1 A 27 27 ASP HA H 27 4.419 4.448 -0.029 1
1 235 . 18 1 1 A 27 27 ASP CB C 27 40.901 40.873 0.028 1
1 237 . 18 1 1 A 27 27 ASP C C 27 178.564 178.474 0.090 1
1 239 . 18 1 1 A 28 28 LEU N N 28 122.965 120.931 2.034 1
1 240 . 18 1 1 A 28 28 LEU H H 28 7.010 7.452 -0.442 1
1 241 . 18 1 1 A 28 28 LEU CA C 28 57.793 58.044 -0.251 1
1 242 . 18 1 1 A 28 28 LEU HA H 28 3.620 3.143 0.477 1
1 243 . 18 1 1 A 28 28 LEU CB C 28 40.261 41.492 -1.231 1
1 255 . 18 1 1 A 28 28 LEU C C 28 177.807 177.887 -0.080 1
1 257 . 18 1 1 A 29 29 ASP N N 29 120.296 118.828 1.468 1
1 258 . 18 1 1 A 29 29 ASP H H 29 8.371 8.462 -0.091 1
1 259 . 18 1 1 A 29 29 ASP CA C 29 57.703 57.124 0.579 1
1 260 . 18 1 1 A 29 29 ASP HA H 29 4.299 4.288 0.011 1
1 261 . 18 1 1 A 29 29 ASP CB C 29 39.968 40.969 -1.001 1
1 263 . 18 1 1 A 29 29 ASP C C 29 179.252 178.076 1.176 1
1 265 . 18 1 1 A 30 30 PHE N N 30 118.906 119.633 -0.727 1
1 266 . 18 1 1 A 30 30 PHE H H 30 7.830 7.544 0.286 1
1 267 . 18 1 1 A 30 30 PHE CA C 30 60.984 60.405 0.579 1
1 268 . 18 1 1 A 30 30 PHE HA H 30 4.238 4.142 0.096 1
1 269 . 18 1 1 A 30 30 PHE CB C 30 38.859 38.932 -0.073 1
1 281 . 18 1 1 A 30 30 PHE C C 30 178.386 177.498 0.888 1
1 283 . 18 1 1 A 31 31 HIS N N 31 119.537 118.750 0.787 1
1 284 . 18 1 1 A 31 31 HIS H H 31 7.773 8.493 -0.720 1
1 285 . 18 1 1 A 31 31 HIS CA C 31 58.968 59.969 -1.001 1
1 286 . 18 1 1 A 31 31 HIS HA H 31 4.244 4.285 -0.041 1
1 287 . 18 1 1 A 31 31 HIS CB C 31 28.055 29.593 -1.538 1
1 293 . 18 1 1 A 31 31 HIS C C 31 176.042 177.173 -1.131 1
1 295 . 18 1 1 A 32 32 GLN N N 32 114.850 117.533 -2.683 1
1 296 . 18 1 1 A 32 32 GLN H H 32 8.297 8.227 0.070 1
1 297 . 18 1 1 A 32 32 GLN CA C 32 59.097 58.989 0.108 1
1 298 . 18 1 1 A 32 32 GLN HA H 32 3.694 3.857 -0.163 1
1 299 . 18 1 1 A 32 32 GLN CB C 32 28.158 28.287 -0.129 1
1 306 . 18 1 1 A 32 32 GLN C C 32 177.287 178.725 -1.438 1
1 309 . 18 1 1 A 33 33 ARG N N 33 117.557 120.047 -2.490 1
1 310 . 18 1 1 A 33 33 ARG H H 33 7.132 8.160 -1.028 1
1 311 . 18 1 1 A 33 33 ARG CA C 33 58.358 58.924 -0.566 1
1 312 . 18 1 1 A 33 33 ARG HA H 33 4.101 4.217 -0.116 1
1 313 . 18 1 1 A 33 33 ARG CB C 33 29.730 29.967 -0.237 1
1 319 . 18 1 1 A 33 33 ARG C C 33 178.499 178.818 -0.319 1
1 323 . 18 1 1 A 34 34 VAL N N 34 116.405 116.806 -0.401 1
1 324 . 18 1 1 A 34 34 VAL H H 34 7.885 7.840 0.045 1
1 325 . 18 1 1 A 34 34 VAL CA C 34 63.968 65.250 -1.282 1
1 326 . 18 1 1 A 34 34 VAL HA H 34 3.874 3.683 0.191 1
1 327 . 18 1 1 A 34 34 VAL CB C 34 31.122 31.248 -0.126 1
1 337 . 18 1 1 A 34 34 VAL C C 34 177.300 178.074 -0.774 1
1 338 . 18 1 1 A 35 35 HIS N N 35 117.405 120.294 -2.889 1
1 339 . 18 1 1 A 35 35 HIS H H 35 7.235 7.751 -0.516 1
1 340 . 18 1 1 A 35 35 HIS CA C 35 55.330 59.632 -4.302 1
1 341 . 18 1 1 A 35 35 HIS HA H 35 4.857 4.269 0.588 1
1 342 . 18 1 1 A 35 35 HIS CB C 35 28.661 30.481 -1.820 1
1 348 . 18 1 1 A 35 35 HIS C C 35 175.854 175.597 0.257 1
1 350 . 18 1 1 A 36 36 THR N N 36 112.155 111.442 0.713 1
1 351 . 18 1 1 A 36 36 THR H H 36 7.788 7.752 0.036 1
1 352 . 18 1 1 A 36 36 THR CA C 36 62.772 61.845 0.927 1
1 353 . 18 1 1 A 36 36 THR HA H 36 4.328 4.222 0.106 1
1 354 . 18 1 1 A 36 36 THR CB C 36 69.799 68.687 1.112 1
1 360 . 18 1 1 A 36 36 THR C C 36 175.542 175.133 0.409 1
1 361 . 18 1 1 A 37 37 GLY N N 37 110.545 111.614 -1.069 1
1 362 . 18 1 1 A 37 37 GLY H H 37 8.233 8.836 -0.603 1
1 363 . 18 1 1 A 37 37 GLY CA C 37 45.526 46.524 -0.998 1
1 364 . 18 1 1 A 37 37 GLY HA3 H 37 4.024 4.012 0.012 1
1 365 . 18 1 1 A 37 37 GLY C C 37 174.293 173.701 0.592 1
1 366 . 18 1 1 A 37 37 GLY HA2 H 37 3.942 4.004 -0.062 1
1 367 . 18 1 1 A 38 38 GLU N N 38 120.757 119.915 0.842 1
1 368 . 18 1 1 A 38 38 GLU H H 38 8.087 7.775 0.312 1
1 369 . 18 1 1 A 38 38 GLU CA C 38 56.756 55.575 1.181 1
1 370 . 18 1 1 A 38 38 GLU HA H 38 4.226 4.574 -0.348 1
1 371 . 18 1 1 A 38 38 GLU CB C 38 30.420 29.546 0.874 1
1 375 . 18 1 1 A 38 38 GLU C C 38 176.480 175.009 1.471 1
1 378 . 18 1 1 A 39 39 LYS N N 39 122.154 122.549 -0.395 1
1 379 . 18 1 1 A 39 39 LYS H H 39 8.322 7.908 0.414 1
1 380 . 18 1 1 A 39 39 LYS CA C 39 56.239 54.361 1.878 1
1 381 . 18 1 1 A 39 39 LYS HA H 39 4.315 4.689 -0.374 1
1 382 . 18 1 1 A 39 39 LYS CB C 39 32.799 36.020 -3.221 1
1 390 . 18 1 1 A 39 39 LYS C C 39 176.535 176.950 -0.415 1
1 395 . 18 1 1 A 40 40 LEU N N 40 123.630 122.792 0.838 1
1 396 . 18 1 1 A 40 40 LEU H H 40 8.299 8.512 -0.213 1
1 397 . 18 1 1 A 40 40 LEU CA C 40 55.167 58.101 -2.934 1
1 398 . 18 1 1 A 40 40 LEU HA H 40 4.398 3.901 0.497 1
1 399 . 18 1 1 A 40 40 LEU CB C 40 42.364 41.693 0.671 1
1 411 . 18 1 1 A 40 40 LEU C C 40 177.392 177.259 0.133 1
1 413 . 18 1 1 A 41 41 SER N N 41 116.506 116.286 0.220 1
1 414 . 18 1 1 A 41 41 SER H H 41 8.307 7.505 0.802 1
1 415 . 18 1 1 A 41 41 SER CA C 41 58.290 59.099 -0.809 1
1 416 . 18 1 1 A 41 41 SER HA H 41 4.449 4.271 0.178 1
1 417 . 18 1 1 A 41 41 SER CB C 41 64.054 63.687 0.367 1
1 419 . 18 1 1 A 41 41 SER C C 41 174.470 174.012 0.458 1
1 421 . 18 1 1 A 42 42 GLY N N 42 110.630 109.473 1.157 1
1 422 . 18 1 1 A 42 42 GLY H H 42 8.215 8.354 -0.139 1
1 423 . 18 1 1 A 42 42 GLY CA C 42 44.768 46.128 -1.360 1
1 424 . 18 1 1 A 42 42 GLY HA3 H 42 4.145 4.025 0.120 1
1 425 . 18 1 1 A 42 42 GLY C C 42 171.726 173.662 -1.936 1
1 426 . 18 1 1 A 42 42 GLY HA2 H 42 4.145 4.025 0.120 1
1 427 . 18 1 1 A 43 43 PRO CA C 43 63.300 63.118 0.182 1
1 428 . 18 1 1 A 43 43 PRO HA H 43 4.487 4.280 0.207 1
1 429 . 18 1 1 A 43 43 PRO CB C 43 32.225 32.498 -0.273 1
1 435 . 18 1 1 A 43 43 PRO C C 43 177.377 177.129 0.248 1
1 439 . 18 1 1 A 44 44 SER N N 44 116.384 117.428 -1.044 1
1 440 . 18 1 1 A 44 44 SER H H 44 8.538 8.942 -0.404 1
1 441 . 18 1 1 A 44 44 SER CA C 44 58.396 59.262 -0.866 1
1 442 . 18 1 1 A 44 44 SER HA H 44 4.462 4.214 0.248 1
1 443 . 18 1 1 A 44 44 SER CB C 44 63.785 62.841 0.944 1
1 445 . 18 1 1 A 44 44 SER C C 44 174.636 174.123 0.513 1
1 447 . 18 1 1 A 45 45 SER N N 45 117.830 115.346 2.484 1
1 448 . 18 1 1 A 45 45 SER H H 45 8.331 7.946 0.385 1
1 449 . 18 1 1 A 45 45 SER CA C 45 58.388 59.675 -1.287 1
1 450 . 18 1 1 A 45 45 SER HA H 45 4.452 4.627 -0.175 1
1 451 . 18 1 1 A 45 45 SER CB C 45 64.109 65.618 -1.509 1
1 453 . 18 1 1 A 45 45 SER C C 45 173.898 174.772 -0.874 1
1 4 . 19 1 1 A 9 9 GLY CA C 9 45.254 44.410 0.844 1
1 5 . 19 1 1 A 9 9 GLY HA3 H 9 3.953 4.064 -0.111 1
1 6 . 19 1 1 A 9 9 GLY C C 9 174.042 172.210 1.832 1
1 7 . 19 1 1 A 9 9 GLY HA2 H 9 3.953 4.061 -0.108 1
1 8 . 19 1 1 A 10 10 GLU N N 10 120.168 121.354 -1.186 1
1 9 . 19 1 1 A 10 10 GLU H H 10 8.189 8.482 -0.293 1
1 10 . 19 1 1 A 10 10 GLU CA C 10 56.864 55.110 1.754 1
1 11 . 19 1 1 A 10 10 GLU HA H 10 4.190 5.049 -0.859 1
1 12 . 19 1 1 A 10 10 GLU CB C 10 30.408 32.354 -1.946 1
1 16 . 19 1 1 A 10 10 GLU C C 10 176.310 174.969 1.341 1
1 19 . 19 1 1 A 11 11 LYS N N 11 121.384 126.324 -4.940 1
1 20 . 19 1 1 A 11 11 LYS H H 11 8.303 8.752 -0.449 1
1 21 . 19 1 1 A 11 11 LYS CA C 11 53.617 53.280 0.337 1
1 22 . 19 1 1 A 11 11 LYS HA H 11 4.442 4.763 -0.321 1
1 23 . 19 1 1 A 11 11 LYS CB C 11 32.516 33.444 -0.928 1
1 31 . 19 1 1 A 11 11 LYS C C 11 174.008 176.458 -2.450 1
1 36 . 19 1 1 A 12 12 PRO CA C 12 63.810 65.026 -1.216 1
1 37 . 19 1 1 A 12 12 PRO HA H 12 4.209 4.257 -0.048 1
1 38 . 19 1 1 A 12 12 PRO CB C 12 32.136 31.569 0.567 1
1 44 . 19 1 1 A 12 12 PRO C C 12 176.465 175.883 0.582 1
1 48 . 19 1 1 A 13 13 TYR N N 13 118.430 118.199 0.231 1
1 49 . 19 1 1 A 13 13 TYR H H 13 7.828 7.745 0.083 1
1 50 . 19 1 1 A 13 13 TYR CA C 13 57.575 57.826 -0.251 1
1 51 . 19 1 1 A 13 13 TYR HA H 13 4.633 4.901 -0.268 1
1 52 . 19 1 1 A 13 13 TYR CB C 13 38.137 40.244 -2.107 1
1 62 . 19 1 1 A 13 13 TYR C C 13 174.444 175.737 -1.293 1
1 64 . 19 1 1 A 14 14 LYS N N 14 124.304 121.191 3.113 1
1 65 . 19 1 1 A 14 14 LYS H H 14 8.454 8.942 -0.488 1
1 66 . 19 1 1 A 14 14 LYS CA C 14 54.800 54.154 0.646 1
1 67 . 19 1 1 A 14 14 LYS HA H 14 5.039 5.328 -0.289 1
1 68 . 19 1 1 A 14 14 LYS CB C 14 35.164 36.292 -1.128 1
1 76 . 19 1 1 A 14 14 LYS C C 14 175.455 175.283 0.172 1
1 81 . 19 1 1 A 15 15 CYS N N 15 126.669 123.179 3.490 1
1 82 . 19 1 1 A 15 15 CYS H H 15 9.138 9.492 -0.354 1
1 83 . 19 1 1 A 15 15 CYS CA C 15 59.488 59.677 -0.189 1
1 84 . 19 1 1 A 15 15 CYS HA H 15 4.611 4.672 -0.061 1
1 85 . 19 1 1 A 15 15 CYS CB C 15 29.705 28.565 1.140 1
1 87 . 19 1 1 A 15 15 CYS C C 15 177.944 174.937 3.007 1
1 89 . 19 1 1 A 16 16 VAL N N 16 130.449 124.868 5.581 1
1 90 . 19 1 1 A 16 16 VAL H H 16 9.093 8.575 0.518 1
1 91 . 19 1 1 A 16 16 VAL CA C 16 64.724 63.287 1.437 1
1 92 . 19 1 1 A 16 16 VAL HA H 16 3.962 4.188 -0.226 1
1 93 . 19 1 1 A 16 16 VAL CB C 16 31.834 32.834 -1.000 1
1 103 . 19 1 1 A 16 16 VAL C C 16 176.285 177.577 -1.292 1
1 104 . 19 1 1 A 17 17 GLU N N 17 121.787 120.519 1.268 1
1 105 . 19 1 1 A 17 17 GLU H H 17 8.559 7.783 0.776 1
1 106 . 19 1 1 A 17 17 GLU CA C 17 58.471 58.621 -0.150 1
1 107 . 19 1 1 A 17 17 GLU HA H 17 4.214 3.996 0.218 1
1 108 . 19 1 1 A 17 17 GLU CB C 17 29.377 29.549 -0.172 1
1 112 . 19 1 1 A 17 17 GLU C C 17 177.492 177.929 -0.437 1
1 115 . 19 1 1 A 18 18 CYS N N 18 114.939 114.844 0.095 1
1 116 . 19 1 1 A 18 18 CYS H H 18 8.082 7.925 0.157 1
1 117 . 19 1 1 A 18 18 CYS CA C 18 58.471 59.264 -0.793 1
1 118 . 19 1 1 A 18 18 CYS HA H 18 5.192 4.691 0.501 1
1 119 . 19 1 1 A 18 18 CYS CB C 18 32.509 30.449 2.060 1
1 121 . 19 1 1 A 18 18 CYS C C 18 176.460 175.805 0.655 1
1 123 . 19 1 1 A 19 19 GLY N N 19 113.538 110.295 3.243 1
1 124 . 19 1 1 A 19 19 GLY H H 19 8.196 8.157 0.039 1
1 125 . 19 1 1 A 19 19 GLY CA C 19 46.242 45.096 1.146 1
1 126 . 19 1 1 A 19 19 GLY HA3 H 19 4.259 4.033 0.226 1
1 127 . 19 1 1 A 19 19 GLY C C 19 173.676 174.542 -0.866 1
1 128 . 19 1 1 A 19 19 GLY HA2 H 19 3.798 4.022 -0.224 1
1 129 . 19 1 1 A 20 20 LYS N N 20 123.263 122.627 0.636 1
1 130 . 19 1 1 A 20 20 LYS H H 20 7.926 7.603 0.323 1
1 131 . 19 1 1 A 20 20 LYS CA C 20 58.523 56.766 1.757 1
1 132 . 19 1 1 A 20 20 LYS HA H 20 3.981 4.221 -0.240 1
1 133 . 19 1 1 A 20 20 LYS CB C 20 33.810 33.569 0.241 1
1 141 . 19 1 1 A 20 20 LYS C C 20 175.052 175.703 -0.651 1
1 146 . 19 1 1 A 21 21 GLY N N 21 108.411 111.486 -3.075 1
1 147 . 19 1 1 A 21 21 GLY H H 21 7.976 8.307 -0.331 1
1 148 . 19 1 1 A 21 21 GLY CA C 21 44.194 44.079 0.115 1
1 149 . 19 1 1 A 21 21 GLY HA3 H 21 4.999 4.317 0.682 1
1 150 . 19 1 1 A 21 21 GLY C C 21 172.339 171.460 0.879 1
1 151 . 19 1 1 A 21 21 GLY HA2 H 21 3.313 4.217 -0.904 1
1 152 . 19 1 1 A 22 22 TYR N N 22 118.701 122.680 -3.979 1
1 153 . 19 1 1 A 22 22 TYR H H 22 8.712 8.710 0.002 1
1 154 . 19 1 1 A 22 22 TYR CA C 22 58.193 56.426 1.767 1
1 155 . 19 1 1 A 22 22 TYR HA H 22 4.627 4.960 -0.333 1
1 156 . 19 1 1 A 22 22 TYR CB C 22 43.318 41.956 1.362 1
1 166 . 19 1 1 A 22 22 TYR C C 22 175.114 176.032 -0.918 1
1 168 . 19 1 1 A 23 23 LYS N N 23 120.476 125.145 -4.669 1
1 169 . 19 1 1 A 23 23 LYS H H 23 9.060 8.883 0.177 1
1 170 . 19 1 1 A 23 23 LYS CA C 23 58.595 59.445 -0.850 1
1 171 . 19 1 1 A 23 23 LYS HA H 23 4.450 4.194 0.256 1
1 172 . 19 1 1 A 23 23 LYS CB C 23 33.830 32.627 1.203 1
1 180 . 19 1 1 A 23 23 LYS C C 23 176.227 175.837 0.390 1
1 185 . 19 1 1 A 24 24 ARG N N 24 114.342 119.073 -4.731 1
1 186 . 19 1 1 A 24 24 ARG H H 24 7.929 7.860 0.069 1
1 187 . 19 1 1 A 24 24 ARG CA C 24 53.954 53.932 0.022 1
1 188 . 19 1 1 A 24 24 ARG HA H 24 4.786 4.757 0.029 1
1 189 . 19 1 1 A 24 24 ARG CB C 24 32.890 32.985 -0.095 1
1 195 . 19 1 1 A 24 24 ARG C C 24 176.136 175.835 0.301 1
1 199 . 19 1 1 A 25 25 ARG N N 25 127.212 124.855 2.357 1
1 200 . 19 1 1 A 25 25 ARG H H 25 8.379 8.265 0.114 1
1 201 . 19 1 1 A 25 25 ARG CA C 25 58.968 58.487 0.481 1
1 202 . 19 1 1 A 25 25 ARG HA H 25 3.047 3.246 -0.199 1
1 203 . 19 1 1 A 25 25 ARG CB C 25 28.874 29.441 -0.567 1
1 209 . 19 1 1 A 25 25 ARG C C 25 178.039 177.745 0.294 1
1 213 . 19 1 1 A 26 26 LEU N N 26 117.424 120.573 -3.149 1
1 214 . 19 1 1 A 26 26 LEU H H 26 8.321 7.948 0.373 1
1 215 . 19 1 1 A 26 26 LEU CA C 26 57.922 58.292 -0.370 1
1 216 . 19 1 1 A 26 26 LEU HA H 26 4.008 3.922 0.086 1
1 217 . 19 1 1 A 26 26 LEU CB C 26 42.295 42.004 0.291 1
1 229 . 19 1 1 A 26 26 LEU C C 26 178.591 177.787 0.804 1
1 231 . 19 1 1 A 27 27 ASP N N 27 116.153 118.490 -2.337 1
1 232 . 19 1 1 A 27 27 ASP H H 27 6.677 8.194 -1.517 1
1 233 . 19 1 1 A 27 27 ASP CA C 27 56.775 56.891 -0.116 1
1 234 . 19 1 1 A 27 27 ASP HA H 27 4.419 4.333 0.086 1
1 235 . 19 1 1 A 27 27 ASP CB C 27 40.901 40.765 0.136 1
1 237 . 19 1 1 A 27 27 ASP C C 27 178.564 178.524 0.040 1
1 239 . 19 1 1 A 28 28 LEU N N 28 122.965 120.797 2.168 1
1 240 . 19 1 1 A 28 28 LEU H H 28 7.010 7.450 -0.440 1
1 241 . 19 1 1 A 28 28 LEU CA C 28 57.793 57.425 0.368 1
1 242 . 19 1 1 A 28 28 LEU HA H 28 3.620 2.970 0.650 1
1 243 . 19 1 1 A 28 28 LEU CB C 28 40.261 41.119 -0.858 1
1 255 . 19 1 1 A 28 28 LEU C C 28 177.807 178.244 -0.437 1
1 257 . 19 1 1 A 29 29 ASP N N 29 120.296 117.638 2.658 1
1 258 . 19 1 1 A 29 29 ASP H H 29 8.371 8.595 -0.224 1
1 259 . 19 1 1 A 29 29 ASP CA C 29 57.703 57.403 0.300 1
1 260 . 19 1 1 A 29 29 ASP HA H 29 4.299 4.223 0.076 1
1 261 . 19 1 1 A 29 29 ASP CB C 29 39.968 40.473 -0.505 1
1 263 . 19 1 1 A 29 29 ASP C C 29 179.252 178.287 0.965 1
1 265 . 19 1 1 A 30 30 PHE N N 30 118.906 121.935 -3.029 1
1 266 . 19 1 1 A 30 30 PHE H H 30 7.830 7.779 0.051 1
1 267 . 19 1 1 A 30 30 PHE CA C 30 60.984 59.756 1.228 1
1 268 . 19 1 1 A 30 30 PHE HA H 30 4.238 4.137 0.101 1
1 269 . 19 1 1 A 30 30 PHE CB C 30 38.859 39.431 -0.572 1
1 281 . 19 1 1 A 30 30 PHE C C 30 178.386 177.525 0.861 1
1 283 . 19 1 1 A 31 31 HIS N N 31 119.537 119.185 0.352 1
1 284 . 19 1 1 A 31 31 HIS H H 31 7.773 8.218 -0.445 1
1 285 . 19 1 1 A 31 31 HIS CA C 31 58.968 59.867 -0.899 1
1 286 . 19 1 1 A 31 31 HIS HA H 31 4.244 4.281 -0.037 1
1 287 . 19 1 1 A 31 31 HIS CB C 31 28.055 29.718 -1.663 1
1 293 . 19 1 1 A 31 31 HIS C C 31 176.042 177.380 -1.338 1
1 295 . 19 1 1 A 32 32 GLN N N 32 114.850 117.263 -2.413 1
1 296 . 19 1 1 A 32 32 GLN H H 32 8.297 8.021 0.276 1
1 297 . 19 1 1 A 32 32 GLN CA C 32 59.097 59.038 0.059 1
1 298 . 19 1 1 A 32 32 GLN HA H 32 3.694 3.788 -0.094 1
1 299 . 19 1 1 A 32 32 GLN CB C 32 28.158 28.316 -0.158 1
1 306 . 19 1 1 A 32 32 GLN C C 32 177.287 178.639 -1.352 1
1 309 . 19 1 1 A 33 33 ARG N N 33 117.557 120.440 -2.883 1
1 310 . 19 1 1 A 33 33 ARG H H 33 7.132 8.069 -0.937 1
1 311 . 19 1 1 A 33 33 ARG CA C 33 58.358 58.895 -0.537 1
1 312 . 19 1 1 A 33 33 ARG HA H 33 4.101 4.065 0.036 1
1 313 . 19 1 1 A 33 33 ARG CB C 33 29.730 29.808 -0.078 1
1 319 . 19 1 1 A 33 33 ARG C C 33 178.499 178.855 -0.356 1
1 323 . 19 1 1 A 34 34 VAL N N 34 116.405 116.504 -0.099 1
1 324 . 19 1 1 A 34 34 VAL H H 34 7.885 7.948 -0.063 1
1 325 . 19 1 1 A 34 34 VAL CA C 34 63.968 65.304 -1.336 1
1 326 . 19 1 1 A 34 34 VAL HA H 34 3.874 3.725 0.149 1
1 327 . 19 1 1 A 34 34 VAL CB C 34 31.122 31.077 0.045 1
1 337 . 19 1 1 A 34 34 VAL C C 34 177.300 177.608 -0.308 1
1 338 . 19 1 1 A 35 35 HIS N N 35 117.405 120.355 -2.950 1
1 339 . 19 1 1 A 35 35 HIS H H 35 7.235 7.824 -0.589 1
1 340 . 19 1 1 A 35 35 HIS CA C 35 55.330 59.452 -4.122 1
1 341 . 19 1 1 A 35 35 HIS HA H 35 4.857 4.406 0.451 1
1 342 . 19 1 1 A 35 35 HIS CB C 35 28.661 30.900 -2.239 1
1 348 . 19 1 1 A 35 35 HIS C C 35 175.854 178.095 -2.241 1
1 350 . 19 1 1 A 36 36 THR N N 36 112.155 112.838 -0.683 1
1 351 . 19 1 1 A 36 36 THR H H 36 7.788 8.381 -0.593 1
1 352 . 19 1 1 A 36 36 THR CA C 36 62.772 65.443 -2.671 1
1 353 . 19 1 1 A 36 36 THR HA H 36 4.328 3.909 0.419 1
1 354 . 19 1 1 A 36 36 THR CB C 36 69.799 67.956 1.843 1
1 360 . 19 1 1 A 36 36 THR C C 36 175.542 175.783 -0.241 1
1 361 . 19 1 1 A 37 37 GLY N N 37 110.545 111.081 -0.536 1
1 362 . 19 1 1 A 37 37 GLY H H 37 8.233 8.026 0.207 1
1 363 . 19 1 1 A 37 37 GLY CA C 37 45.526 44.434 1.092 1
1 364 . 19 1 1 A 37 37 GLY HA3 H 37 4.024 4.051 -0.027 1
1 365 . 19 1 1 A 37 37 GLY C C 37 174.293 173.064 1.229 1
1 366 . 19 1 1 A 37 37 GLY HA2 H 37 3.942 4.045 -0.103 1
1 367 . 19 1 1 A 38 38 GLU N N 38 120.757 120.715 0.042 1
1 368 . 19 1 1 A 38 38 GLU H H 38 8.087 8.512 -0.425 1
1 369 . 19 1 1 A 38 38 GLU CA C 38 56.756 55.430 1.326 1
1 370 . 19 1 1 A 38 38 GLU HA H 38 4.226 4.938 -0.712 1
1 371 . 19 1 1 A 38 38 GLU CB C 38 30.420 29.860 0.560 1
1 375 . 19 1 1 A 38 38 GLU C C 38 176.480 175.104 1.376 1
1 378 . 19 1 1 A 39 39 LYS N N 39 122.154 124.851 -2.697 1
1 379 . 19 1 1 A 39 39 LYS H H 39 8.322 8.295 0.027 1
1 380 . 19 1 1 A 39 39 LYS CA C 39 56.239 55.986 0.253 1
1 381 . 19 1 1 A 39 39 LYS HA H 39 4.315 4.847 -0.532 1
1 382 . 19 1 1 A 39 39 LYS CB C 39 32.799 36.512 -3.713 1
1 390 . 19 1 1 A 39 39 LYS C C 39 176.535 173.993 2.542 1
1 395 . 19 1 1 A 40 40 LEU N N 40 123.630 126.492 -2.862 1
1 396 . 19 1 1 A 40 40 LEU H H 40 8.299 8.933 -0.634 1
1 397 . 19 1 1 A 40 40 LEU CA C 40 55.167 54.139 1.028 1
1 398 . 19 1 1 A 40 40 LEU HA H 40 4.398 4.913 -0.515 1
1 399 . 19 1 1 A 40 40 LEU CB C 40 42.364 44.338 -1.974 1
1 411 . 19 1 1 A 40 40 LEU C C 40 177.392 175.277 2.115 1
1 413 . 19 1 1 A 41 41 SER N N 41 116.506 117.363 -0.857 1
1 414 . 19 1 1 A 41 41 SER H H 41 8.307 8.870 -0.563 1
1 415 . 19 1 1 A 41 41 SER CA C 41 58.290 56.767 1.523 1
1 416 . 19 1 1 A 41 41 SER HA H 41 4.449 5.507 -1.058 1
1 417 . 19 1 1 A 41 41 SER CB C 41 64.054 64.664 -0.610 1
1 419 . 19 1 1 A 41 41 SER C C 41 174.470 173.701 0.769 1
1 421 . 19 1 1 A 42 42 GLY N N 42 110.630 110.057 0.573 1
1 422 . 19 1 1 A 42 42 GLY H H 42 8.215 8.371 -0.156 1
1 423 . 19 1 1 A 42 42 GLY CA C 42 44.768 46.077 -1.309 1
1 424 . 19 1 1 A 42 42 GLY HA3 H 42 4.145 4.073 0.072 1
1 425 . 19 1 1 A 42 42 GLY C C 42 171.726 173.928 -2.202 1
1 426 . 19 1 1 A 42 42 GLY HA2 H 42 4.145 4.069 0.076 1
1 427 . 19 1 1 A 43 43 PRO CA C 43 63.300 62.862 0.438 1
1 428 . 19 1 1 A 43 43 PRO HA H 43 4.487 4.601 -0.114 1
1 429 . 19 1 1 A 43 43 PRO CB C 43 32.225 31.677 0.548 1
1 435 . 19 1 1 A 43 43 PRO C C 43 177.377 175.846 1.531 1
1 439 . 19 1 1 A 44 44 SER N N 44 116.384 118.867 -2.483 1
1 440 . 19 1 1 A 44 44 SER H H 44 8.538 8.754 -0.216 1
1 441 . 19 1 1 A 44 44 SER CA C 44 58.396 58.037 0.359 1
1 442 . 19 1 1 A 44 44 SER HA H 44 4.462 4.811 -0.349 1
1 443 . 19 1 1 A 44 44 SER CB C 44 63.785 66.997 -3.212 1
1 445 . 19 1 1 A 44 44 SER C C 44 174.636 174.447 0.189 1
1 447 . 19 1 1 A 45 45 SER N N 45 117.830 118.917 -1.087 1
1 448 . 19 1 1 A 45 45 SER H H 45 8.331 8.629 -0.298 1
1 449 . 19 1 1 A 45 45 SER CA C 45 58.388 59.873 -1.485 1
1 450 . 19 1 1 A 45 45 SER HA H 45 4.452 4.199 0.253 1
1 451 . 19 1 1 A 45 45 SER CB C 45 64.109 64.441 -0.332 1
1 453 . 19 1 1 A 45 45 SER C C 45 173.898 175.555 -1.657 1
1 4 . 20 1 1 A 9 9 GLY CA C 9 45.254 44.219 1.035 1
1 5 . 20 1 1 A 9 9 GLY HA3 H 9 3.953 4.193 -0.240 1
1 6 . 20 1 1 A 9 9 GLY C C 9 174.042 172.885 1.157 1
1 7 . 20 1 1 A 9 9 GLY HA2 H 9 3.953 4.189 -0.236 1
1 8 . 20 1 1 A 10 10 GLU N N 10 120.168 117.136 3.032 1
1 9 . 20 1 1 A 10 10 GLU H H 10 8.189 8.759 -0.570 1
1 10 . 20 1 1 A 10 10 GLU CA C 10 56.864 54.926 1.938 1
1 11 . 20 1 1 A 10 10 GLU HA H 10 4.190 5.035 -0.845 1
1 12 . 20 1 1 A 10 10 GLU CB C 10 30.408 31.912 -1.504 1
1 16 . 20 1 1 A 10 10 GLU C C 10 176.310 175.119 1.191 1
1 19 . 20 1 1 A 11 11 LYS N N 11 121.384 124.798 -3.414 1
1 20 . 20 1 1 A 11 11 LYS H H 11 8.303 8.626 -0.323 1
1 21 . 20 1 1 A 11 11 LYS CA C 11 53.617 52.714 0.903 1
1 22 . 20 1 1 A 11 11 LYS HA H 11 4.442 4.808 -0.366 1
1 23 . 20 1 1 A 11 11 LYS CB C 11 32.516 34.001 -1.485 1
1 31 . 20 1 1 A 11 11 LYS C C 11 174.008 176.154 -2.146 1
1 36 . 20 1 1 A 12 12 PRO CA C 12 63.810 64.955 -1.145 1
1 37 . 20 1 1 A 12 12 PRO HA H 12 4.209 4.258 -0.049 1
1 38 . 20 1 1 A 12 12 PRO CB C 12 32.136 31.604 0.532 1
1 44 . 20 1 1 A 12 12 PRO C C 12 176.465 175.875 0.590 1
1 48 . 20 1 1 A 13 13 TYR N N 13 118.430 118.231 0.199 1
1 49 . 20 1 1 A 13 13 TYR H H 13 7.828 7.769 0.059 1
1 50 . 20 1 1 A 13 13 TYR CA C 13 57.575 58.026 -0.451 1
1 51 . 20 1 1 A 13 13 TYR HA H 13 4.633 4.884 -0.251 1
1 52 . 20 1 1 A 13 13 TYR CB C 13 38.137 39.973 -1.836 1
1 62 . 20 1 1 A 13 13 TYR C C 13 174.444 176.005 -1.561 1
1 64 . 20 1 1 A 14 14 LYS N N 14 124.304 121.406 2.898 1
1 65 . 20 1 1 A 14 14 LYS H H 14 8.454 8.951 -0.497 1
1 66 . 20 1 1 A 14 14 LYS CA C 14 54.800 54.073 0.727 1
1 67 . 20 1 1 A 14 14 LYS HA H 14 5.039 5.229 -0.190 1
1 68 . 20 1 1 A 14 14 LYS CB C 14 35.164 36.106 -0.942 1
1 76 . 20 1 1 A 14 14 LYS C C 14 175.455 175.359 0.096 1
1 81 . 20 1 1 A 15 15 CYS N N 15 126.669 123.361 3.308 1
1 82 . 20 1 1 A 15 15 CYS H H 15 9.138 8.857 0.281 1
1 83 . 20 1 1 A 15 15 CYS CA C 15 59.488 59.726 -0.238 1
1 84 . 20 1 1 A 15 15 CYS HA H 15 4.611 4.631 -0.020 1
1 85 . 20 1 1 A 15 15 CYS CB C 15 29.705 28.819 0.886 1
1 87 . 20 1 1 A 15 15 CYS C C 15 177.944 175.002 2.942 1
1 89 . 20 1 1 A 16 16 VAL N N 16 130.449 124.739 5.710 1
1 90 . 20 1 1 A 16 16 VAL H H 16 9.093 8.603 0.490 1
1 91 . 20 1 1 A 16 16 VAL CA C 16 64.724 63.502 1.222 1
1 92 . 20 1 1 A 16 16 VAL HA H 16 3.962 4.184 -0.222 1
1 93 . 20 1 1 A 16 16 VAL CB C 16 31.834 32.885 -1.051 1
1 103 . 20 1 1 A 16 16 VAL C C 16 176.285 177.492 -1.207 1
1 104 . 20 1 1 A 17 17 GLU N N 17 121.787 120.773 1.014 1
1 105 . 20 1 1 A 17 17 GLU H H 17 8.559 7.638 0.921 1
1 106 . 20 1 1 A 17 17 GLU CA C 17 58.471 58.805 -0.334 1
1 107 . 20 1 1 A 17 17 GLU HA H 17 4.214 3.993 0.221 1
1 108 . 20 1 1 A 17 17 GLU CB C 17 29.377 29.615 -0.238 1
1 112 . 20 1 1 A 17 17 GLU C C 17 177.492 177.989 -0.497 1
1 115 . 20 1 1 A 18 18 CYS N N 18 114.939 114.816 0.123 1
1 116 . 20 1 1 A 18 18 CYS H H 18 8.082 7.928 0.154 1
1 117 . 20 1 1 A 18 18 CYS CA C 18 58.471 59.561 -1.090 1
1 118 . 20 1 1 A 18 18 CYS HA H 18 5.192 4.638 0.554 1
1 119 . 20 1 1 A 18 18 CYS CB C 18 32.509 29.761 2.748 1
1 121 . 20 1 1 A 18 18 CYS C C 18 176.460 175.403 1.057 1
1 123 . 20 1 1 A 19 19 GLY N N 19 113.538 110.345 3.193 1
1 124 . 20 1 1 A 19 19 GLY H H 19 8.196 8.146 0.050 1
1 125 . 20 1 1 A 19 19 GLY CA C 19 46.242 45.281 0.961 1
1 126 . 20 1 1 A 19 19 GLY HA3 H 19 4.259 4.030 0.229 1
1 127 . 20 1 1 A 19 19 GLY C C 19 173.676 174.717 -1.041 1
1 128 . 20 1 1 A 19 19 GLY HA2 H 19 3.798 4.025 -0.227 1
1 129 . 20 1 1 A 20 20 LYS N N 20 123.263 120.352 2.911 1
1 130 . 20 1 1 A 20 20 LYS H H 20 7.926 7.298 0.628 1
1 131 . 20 1 1 A 20 20 LYS CA C 20 58.523 56.690 1.833 1
1 132 . 20 1 1 A 20 20 LYS HA H 20 3.981 4.359 -0.378 1
1 133 . 20 1 1 A 20 20 LYS CB C 20 33.810 34.324 -0.514 1
1 141 . 20 1 1 A 20 20 LYS C C 20 175.052 175.550 -0.498 1
1 146 . 20 1 1 A 21 21 GLY N N 21 108.411 107.997 0.414 1
1 147 . 20 1 1 A 21 21 GLY H H 21 7.976 8.367 -0.391 1
1 148 . 20 1 1 A 21 21 GLY CA C 21 44.194 44.435 -0.241 1
1 149 . 20 1 1 A 21 21 GLY HA3 H 21 4.999 4.377 0.622 1
1 150 . 20 1 1 A 21 21 GLY C C 21 172.339 171.318 1.021 1
1 151 . 20 1 1 A 21 21 GLY HA2 H 21 3.313 4.287 -0.974 1
1 152 . 20 1 1 A 22 22 TYR N N 22 118.701 124.261 -5.560 1
1 153 . 20 1 1 A 22 22 TYR H H 22 8.712 9.579 -0.867 1
1 154 . 20 1 1 A 22 22 TYR CA C 22 58.193 56.991 1.202 1
1 155 . 20 1 1 A 22 22 TYR HA H 22 4.627 5.000 -0.373 1
1 156 . 20 1 1 A 22 22 TYR CB C 22 43.318 41.424 1.894 1
1 166 . 20 1 1 A 22 22 TYR C C 22 175.114 176.204 -1.090 1
1 168 . 20 1 1 A 23 23 LYS N N 23 120.476 125.987 -5.511 1
1 169 . 20 1 1 A 23 23 LYS H H 23 9.060 8.980 0.080 1
1 170 . 20 1 1 A 23 23 LYS CA C 23 58.595 59.867 -1.272 1
1 171 . 20 1 1 A 23 23 LYS HA H 23 4.450 4.082 0.368 1
1 172 . 20 1 1 A 23 23 LYS CB C 23 33.830 32.430 1.400 1
1 180 . 20 1 1 A 23 23 LYS C C 23 176.227 176.211 0.016 1
1 185 . 20 1 1 A 24 24 ARG N N 24 114.342 119.177 -4.835 1
1 186 . 20 1 1 A 24 24 ARG H H 24 7.929 7.949 -0.020 1
1 187 . 20 1 1 A 24 24 ARG CA C 24 53.954 54.760 -0.806 1
1 188 . 20 1 1 A 24 24 ARG HA H 24 4.786 4.847 -0.061 1
1 189 . 20 1 1 A 24 24 ARG CB C 24 32.890 33.265 -0.375 1
1 195 . 20 1 1 A 24 24 ARG C C 24 176.136 176.796 -0.660 1
1 199 . 20 1 1 A 25 25 ARG N N 25 127.212 125.009 2.203 1
1 200 . 20 1 1 A 25 25 ARG H H 25 8.379 7.845 0.534 1
1 201 . 20 1 1 A 25 25 ARG CA C 25 58.968 58.398 0.570 1
1 202 . 20 1 1 A 25 25 ARG HA H 25 3.047 3.667 -0.620 1
1 203 . 20 1 1 A 25 25 ARG CB C 25 28.874 28.913 -0.039 1
1 209 . 20 1 1 A 25 25 ARG C C 25 178.039 177.962 0.077 1
1 213 . 20 1 1 A 26 26 LEU N N 26 117.424 122.069 -4.645 1
1 214 . 20 1 1 A 26 26 LEU H H 26 8.321 7.962 0.359 1
1 215 . 20 1 1 A 26 26 LEU CA C 26 57.922 58.266 -0.344 1
1 216 . 20 1 1 A 26 26 LEU HA H 26 4.008 3.970 0.038 1
1 217 . 20 1 1 A 26 26 LEU CB C 26 42.295 41.823 0.472 1
1 229 . 20 1 1 A 26 26 LEU C C 26 178.591 177.979 0.612 1
1 231 . 20 1 1 A 27 27 ASP N N 27 116.153 118.573 -2.420 1
1 232 . 20 1 1 A 27 27 ASP H H 27 6.677 7.839 -1.162 1
1 233 . 20 1 1 A 27 27 ASP CA C 27 56.775 57.178 -0.403 1
1 234 . 20 1 1 A 27 27 ASP HA H 27 4.419 4.453 -0.034 1
1 235 . 20 1 1 A 27 27 ASP CB C 27 40.901 40.607 0.294 1
1 237 . 20 1 1 A 27 27 ASP C C 27 178.564 178.501 0.063 1
1 239 . 20 1 1 A 28 28 LEU N N 28 122.965 121.024 1.941 1
1 240 . 20 1 1 A 28 28 LEU H H 28 7.010 7.525 -0.515 1
1 241 . 20 1 1 A 28 28 LEU CA C 28 57.793 58.105 -0.312 1
1 242 . 20 1 1 A 28 28 LEU HA H 28 3.620 3.271 0.349 1
1 243 . 20 1 1 A 28 28 LEU CB C 28 40.261 41.448 -1.187 1
1 255 . 20 1 1 A 28 28 LEU C C 28 177.807 178.100 -0.293 1
1 257 . 20 1 1 A 29 29 ASP N N 29 120.296 118.870 1.426 1
1 258 . 20 1 1 A 29 29 ASP H H 29 8.371 8.503 -0.132 1
1 259 . 20 1 1 A 29 29 ASP CA C 29 57.703 57.028 0.675 1
1 260 . 20 1 1 A 29 29 ASP HA H 29 4.299 4.311 -0.012 1
1 261 . 20 1 1 A 29 29 ASP CB C 29 39.968 41.661 -1.693 1
1 263 . 20 1 1 A 29 29 ASP C C 29 179.252 178.399 0.853 1
1 265 . 20 1 1 A 30 30 PHE N N 30 118.906 119.678 -0.772 1
1 266 . 20 1 1 A 30 30 PHE H H 30 7.830 7.611 0.219 1
1 267 . 20 1 1 A 30 30 PHE CA C 30 60.984 59.894 1.090 1
1 268 . 20 1 1 A 30 30 PHE HA H 30 4.238 4.160 0.078 1
1 269 . 20 1 1 A 30 30 PHE CB C 30 38.859 39.525 -0.666 1
1 281 . 20 1 1 A 30 30 PHE C C 30 178.386 177.438 0.948 1
1 283 . 20 1 1 A 31 31 HIS N N 31 119.537 118.743 0.794 1
1 284 . 20 1 1 A 31 31 HIS H H 31 7.773 8.455 -0.682 1
1 285 . 20 1 1 A 31 31 HIS CA C 31 58.968 59.777 -0.809 1
1 286 . 20 1 1 A 31 31 HIS HA H 31 4.244 4.280 -0.036 1
1 287 . 20 1 1 A 31 31 HIS CB C 31 28.055 29.819 -1.764 1
1 293 . 20 1 1 A 31 31 HIS C C 31 176.042 177.397 -1.355 1
1 295 . 20 1 1 A 32 32 GLN N N 32 114.850 117.155 -2.305 1
1 296 . 20 1 1 A 32 32 GLN H H 32 8.297 8.122 0.175 1
1 297 . 20 1 1 A 32 32 GLN CA C 32 59.097 58.940 0.157 1
1 298 . 20 1 1 A 32 32 GLN HA H 32 3.694 3.797 -0.103 1
1 299 . 20 1 1 A 32 32 GLN CB C 32 28.158 28.250 -0.092 1
1 306 . 20 1 1 A 32 32 GLN C C 32 177.287 178.598 -1.311 1
1 309 . 20 1 1 A 33 33 ARG N N 33 117.557 119.755 -2.198 1
1 310 . 20 1 1 A 33 33 ARG H H 33 7.132 8.183 -1.051 1
1 311 . 20 1 1 A 33 33 ARG CA C 33 58.358 58.762 -0.404 1
1 312 . 20 1 1 A 33 33 ARG HA H 33 4.101 4.137 -0.036 1
1 313 . 20 1 1 A 33 33 ARG CB C 33 29.730 29.867 -0.137 1
1 319 . 20 1 1 A 33 33 ARG C C 33 178.499 178.574 -0.075 1
1 323 . 20 1 1 A 34 34 VAL N N 34 116.405 116.531 -0.126 1
1 324 . 20 1 1 A 34 34 VAL H H 34 7.885 7.730 0.155 1
1 325 . 20 1 1 A 34 34 VAL CA C 34 63.968 65.205 -1.237 1
1 326 . 20 1 1 A 34 34 VAL HA H 34 3.874 3.686 0.188 1
1 327 . 20 1 1 A 34 34 VAL CB C 34 31.122 31.305 -0.183 1
1 337 . 20 1 1 A 34 34 VAL C C 34 177.300 178.088 -0.788 1
1 338 . 20 1 1 A 35 35 HIS N N 35 117.405 120.664 -3.259 1
1 339 . 20 1 1 A 35 35 HIS H H 35 7.235 7.908 -0.673 1
1 340 . 20 1 1 A 35 35 HIS CA C 35 55.330 59.784 -4.454 1
1 341 . 20 1 1 A 35 35 HIS HA H 35 4.857 4.173 0.684 1
1 342 . 20 1 1 A 35 35 HIS CB C 35 28.661 30.906 -2.245 1
1 348 . 20 1 1 A 35 35 HIS C C 35 175.854 177.595 -1.741 1
1 350 . 20 1 1 A 36 36 THR N N 36 112.155 110.715 1.440 1
1 351 . 20 1 1 A 36 36 THR H H 36 7.788 7.947 -0.159 1
1 352 . 20 1 1 A 36 36 THR CA C 36 62.772 63.275 -0.503 1
1 353 . 20 1 1 A 36 36 THR HA H 36 4.328 4.169 0.159 1
1 354 . 20 1 1 A 36 36 THR CB C 36 69.799 69.313 0.486 1
1 360 . 20 1 1 A 36 36 THR C C 36 175.542 174.542 1.000 1
1 361 . 20 1 1 A 37 37 GLY N N 37 110.545 110.320 0.225 1
1 362 . 20 1 1 A 37 37 GLY H H 37 8.233 7.862 0.371 1
1 363 . 20 1 1 A 37 37 GLY CA C 37 45.526 45.154 0.372 1
1 364 . 20 1 1 A 37 37 GLY HA3 H 37 4.024 3.969 0.055 1
1 365 . 20 1 1 A 37 37 GLY C C 37 174.293 173.428 0.865 1
1 366 . 20 1 1 A 37 37 GLY HA2 H 37 3.942 3.957 -0.015 1
1 367 . 20 1 1 A 38 38 GLU N N 38 120.757 122.504 -1.747 1
1 368 . 20 1 1 A 38 38 GLU H H 38 8.087 8.512 -0.425 1
1 369 . 20 1 1 A 38 38 GLU CA C 38 56.756 55.170 1.586 1
1 370 . 20 1 1 A 38 38 GLU HA H 38 4.226 4.919 -0.693 1
1 371 . 20 1 1 A 38 38 GLU CB C 38 30.420 31.577 -1.157 1
1 375 . 20 1 1 A 38 38 GLU C C 38 176.480 174.748 1.732 1
1 378 . 20 1 1 A 39 39 LYS N N 39 122.154 127.647 -5.493 1
1 379 . 20 1 1 A 39 39 LYS H H 39 8.322 8.685 -0.363 1
1 380 . 20 1 1 A 39 39 LYS CA C 39 56.239 54.887 1.352 1
1 381 . 20 1 1 A 39 39 LYS HA H 39 4.315 4.903 -0.588 1
1 382 . 20 1 1 A 39 39 LYS CB C 39 32.799 35.541 -2.742 1
1 390 . 20 1 1 A 39 39 LYS C C 39 176.535 176.193 0.342 1
1 395 . 20 1 1 A 40 40 LEU N N 40 123.630 123.040 0.590 1
1 396 . 20 1 1 A 40 40 LEU H H 40 8.299 8.705 -0.406 1
1 397 . 20 1 1 A 40 40 LEU CA C 40 55.167 54.689 0.478 1
1 398 . 20 1 1 A 40 40 LEU HA H 40 4.398 4.664 -0.266 1
1 399 . 20 1 1 A 40 40 LEU CB C 40 42.364 44.018 -1.654 1
1 411 . 20 1 1 A 40 40 LEU C C 40 177.392 176.569 0.823 1
1 413 . 20 1 1 A 41 41 SER N N 41 116.506 113.367 3.139 1
1 414 . 20 1 1 A 41 41 SER H H 41 8.307 7.817 0.490 1
1 415 . 20 1 1 A 41 41 SER CA C 41 58.290 56.575 1.715 1
1 416 . 20 1 1 A 41 41 SER HA H 41 4.449 4.737 -0.288 1
1 417 . 20 1 1 A 41 41 SER CB C 41 64.054 65.875 -1.821 1
1 419 . 20 1 1 A 41 41 SER C C 41 174.470 173.894 0.576 1
1 421 . 20 1 1 A 42 42 GLY N N 42 110.630 108.931 1.699 1
1 422 . 20 1 1 A 42 42 GLY H H 42 8.215 8.378 -0.163 1
1 423 . 20 1 1 A 42 42 GLY CA C 42 44.768 45.617 -0.849 1
1 424 . 20 1 1 A 42 42 GLY HA3 H 42 4.145 4.221 -0.076 1
1 425 . 20 1 1 A 42 42 GLY C C 42 171.726 173.985 -2.259 1
1 426 . 20 1 1 A 42 42 GLY HA2 H 42 4.145 4.220 -0.075 1
1 427 . 20 1 1 A 43 43 PRO CA C 43 63.300 64.641 -1.341 1
1 428 . 20 1 1 A 43 43 PRO HA H 43 4.487 4.469 0.018 1
1 429 . 20 1 1 A 43 43 PRO CB C 43 32.225 32.056 0.169 1
1 435 . 20 1 1 A 43 43 PRO C C 43 177.377 176.383 0.994 1
1 439 . 20 1 1 A 44 44 SER N N 44 116.384 115.313 1.071 1
1 440 . 20 1 1 A 44 44 SER H H 44 8.538 8.046 0.492 1
1 441 . 20 1 1 A 44 44 SER CA C 44 58.396 58.516 -0.120 1
1 442 . 20 1 1 A 44 44 SER HA H 44 4.462 4.894 -0.432 1
1 443 . 20 1 1 A 44 44 SER CB C 44 63.785 64.279 -0.494 1
1 445 . 20 1 1 A 44 44 SER C C 44 174.636 173.522 1.114 1
1 447 . 20 1 1 A 45 45 SER N N 45 117.830 120.845 -3.015 1
1 448 . 20 1 1 A 45 45 SER H H 45 8.331 8.939 -0.608 1
1 449 . 20 1 1 A 45 45 SER CA C 45 58.388 56.616 1.772 1
1 450 . 20 1 1 A 45 45 SER HA H 45 4.452 5.302 -0.850 1
1 451 . 20 1 1 A 45 45 SER CB C 45 64.109 66.400 -2.291 1
1 453 . 20 1 1 A 45 45 SER C C 45 173.898 173.195 0.703 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 37 1.159 1
2 1 1 1 "RMS(OBS, PRED)" CA 37 1.135 1
3 1 1 1 "RMS(OBS, PRED)" CB 32 1.268 1
4 1 1 1 "RMS(OBS, PRED)" H 34 0.509 1
5 1 1 1 "RMS(OBS, PRED)" HA 42 0.327 1
6 1 1 1 "RMS(OBS, PRED)" N 34 2.550 1
7 1 2 1 "RMS(OBS, PRED)" C 37 1.130 1
8 1 2 1 "RMS(OBS, PRED)" CA 37 1.014 1
9 1 2 1 "RMS(OBS, PRED)" CB 32 1.310 1
10 1 2 1 "RMS(OBS, PRED)" H 34 0.520 1
11 1 2 1 "RMS(OBS, PRED)" HA 42 0.299 1
12 1 2 1 "RMS(OBS, PRED)" N 34 3.545 1
13 1 3 1 "RMS(OBS, PRED)" C 37 1.197 1
14 1 3 1 "RMS(OBS, PRED)" CA 37 1.217 1
15 1 3 1 "RMS(OBS, PRED)" CB 32 1.310 1
16 1 3 1 "RMS(OBS, PRED)" H 34 0.479 1
17 1 3 1 "RMS(OBS, PRED)" HA 42 0.332 1
18 1 3 1 "RMS(OBS, PRED)" N 34 3.485 1
19 1 4 1 "RMS(OBS, PRED)" C 37 1.084 1
20 1 4 1 "RMS(OBS, PRED)" CA 37 1.141 1
21 1 4 1 "RMS(OBS, PRED)" CB 32 1.432 1
22 1 4 1 "RMS(OBS, PRED)" H 34 0.548 1
23 1 4 1 "RMS(OBS, PRED)" HA 42 0.337 1
24 1 4 1 "RMS(OBS, PRED)" N 34 2.784 1
25 1 5 1 "RMS(OBS, PRED)" C 37 1.251 1
26 1 5 1 "RMS(OBS, PRED)" CA 37 1.123 1
27 1 5 1 "RMS(OBS, PRED)" CB 32 1.324 1
28 1 5 1 "RMS(OBS, PRED)" H 34 0.491 1
29 1 5 1 "RMS(OBS, PRED)" HA 42 0.354 1
30 1 5 1 "RMS(OBS, PRED)" N 34 3.045 1
31 1 6 1 "RMS(OBS, PRED)" C 37 1.045 1
32 1 6 1 "RMS(OBS, PRED)" CA 37 1.244 1
33 1 6 1 "RMS(OBS, PRED)" CB 32 1.274 1
34 1 6 1 "RMS(OBS, PRED)" H 34 0.482 1
35 1 6 1 "RMS(OBS, PRED)" HA 42 0.312 1
36 1 6 1 "RMS(OBS, PRED)" N 34 2.853 1
37 1 7 1 "RMS(OBS, PRED)" C 37 1.172 1
38 1 7 1 "RMS(OBS, PRED)" CA 37 1.354 1
39 1 7 1 "RMS(OBS, PRED)" CB 32 1.435 1
40 1 7 1 "RMS(OBS, PRED)" H 34 0.489 1
41 1 7 1 "RMS(OBS, PRED)" HA 42 0.339 1
42 1 7 1 "RMS(OBS, PRED)" N 34 2.667 1
43 1 8 1 "RMS(OBS, PRED)" C 37 1.079 1
44 1 8 1 "RMS(OBS, PRED)" CA 37 1.371 1
45 1 8 1 "RMS(OBS, PRED)" CB 32 1.361 1
46 1 8 1 "RMS(OBS, PRED)" H 34 0.477 1
47 1 8 1 "RMS(OBS, PRED)" HA 42 0.345 1
48 1 8 1 "RMS(OBS, PRED)" N 34 2.926 1
49 1 9 1 "RMS(OBS, PRED)" C 37 1.300 1
50 1 9 1 "RMS(OBS, PRED)" CA 37 1.369 1
51 1 9 1 "RMS(OBS, PRED)" CB 32 1.249 1
52 1 9 1 "RMS(OBS, PRED)" H 34 0.501 1
53 1 9 1 "RMS(OBS, PRED)" HA 42 0.333 1
54 1 9 1 "RMS(OBS, PRED)" N 34 3.188 1
55 1 10 1 "RMS(OBS, PRED)" C 37 1.103 1
56 1 10 1 "RMS(OBS, PRED)" CA 37 1.124 1
57 1 10 1 "RMS(OBS, PRED)" CB 32 1.096 1
58 1 10 1 "RMS(OBS, PRED)" H 34 0.524 1
59 1 10 1 "RMS(OBS, PRED)" HA 42 0.313 1
60 1 10 1 "RMS(OBS, PRED)" N 34 2.784 1
61 1 11 1 "RMS(OBS, PRED)" C 37 1.271 1
62 1 11 1 "RMS(OBS, PRED)" CA 37 1.353 1
63 1 11 1 "RMS(OBS, PRED)" CB 32 1.184 1
64 1 11 1 "RMS(OBS, PRED)" H 34 0.539 1
65 1 11 1 "RMS(OBS, PRED)" HA 42 0.321 1
66 1 11 1 "RMS(OBS, PRED)" N 34 3.239 1
67 1 12 1 "RMS(OBS, PRED)" C 37 1.029 1
68 1 12 1 "RMS(OBS, PRED)" CA 37 1.113 1
69 1 12 1 "RMS(OBS, PRED)" CB 32 1.258 1
70 1 12 1 "RMS(OBS, PRED)" H 34 0.495 1
71 1 12 1 "RMS(OBS, PRED)" HA 42 0.284 1
72 1 12 1 "RMS(OBS, PRED)" N 34 2.992 1
73 1 13 1 "RMS(OBS, PRED)" C 37 1.056 1
74 1 13 1 "RMS(OBS, PRED)" CA 37 1.173 1
75 1 13 1 "RMS(OBS, PRED)" CB 32 1.337 1
76 1 13 1 "RMS(OBS, PRED)" H 34 0.574 1
77 1 13 1 "RMS(OBS, PRED)" HA 42 0.309 1
78 1 13 1 "RMS(OBS, PRED)" N 34 3.334 1
79 1 14 1 "RMS(OBS, PRED)" C 37 1.308 1
80 1 14 1 "RMS(OBS, PRED)" CA 37 1.325 1
81 1 14 1 "RMS(OBS, PRED)" CB 32 1.554 1
82 1 14 1 "RMS(OBS, PRED)" H 34 0.503 1
83 1 14 1 "RMS(OBS, PRED)" HA 42 0.387 1
84 1 14 1 "RMS(OBS, PRED)" N 34 3.205 1
85 1 15 1 "RMS(OBS, PRED)" C 37 1.115 1
86 1 15 1 "RMS(OBS, PRED)" CA 37 1.421 1
87 1 15 1 "RMS(OBS, PRED)" CB 32 1.297 1
88 1 15 1 "RMS(OBS, PRED)" H 34 0.498 1
89 1 15 1 "RMS(OBS, PRED)" HA 42 0.321 1
90 1 15 1 "RMS(OBS, PRED)" N 34 3.011 1
91 1 16 1 "RMS(OBS, PRED)" C 37 1.017 1
92 1 16 1 "RMS(OBS, PRED)" CA 37 1.066 1
93 1 16 1 "RMS(OBS, PRED)" CB 32 1.270 1
94 1 16 1 "RMS(OBS, PRED)" H 34 0.463 1
95 1 16 1 "RMS(OBS, PRED)" HA 42 0.299 1
96 1 16 1 "RMS(OBS, PRED)" N 34 2.626 1
97 1 17 1 "RMS(OBS, PRED)" C 37 1.042 1
98 1 17 1 "RMS(OBS, PRED)" CA 37 1.151 1
99 1 17 1 "RMS(OBS, PRED)" CB 32 1.356 1
100 1 17 1 "RMS(OBS, PRED)" H 34 0.504 1
101 1 17 1 "RMS(OBS, PRED)" HA 42 0.325 1
102 1 17 1 "RMS(OBS, PRED)" N 34 2.691 1
103 1 18 1 "RMS(OBS, PRED)" C 37 1.070 1
104 1 18 1 "RMS(OBS, PRED)" CA 37 1.277 1
105 1 18 1 "RMS(OBS, PRED)" CB 32 1.372 1
106 1 18 1 "RMS(OBS, PRED)" H 34 0.481 1
107 1 18 1 "RMS(OBS, PRED)" HA 42 0.354 1
108 1 18 1 "RMS(OBS, PRED)" N 34 2.798 1
109 1 19 1 "RMS(OBS, PRED)" C 37 1.333 1
110 1 19 1 "RMS(OBS, PRED)" CA 37 1.254 1
111 1 19 1 "RMS(OBS, PRED)" CB 32 1.422 1
112 1 19 1 "RMS(OBS, PRED)" H 34 0.476 1
113 1 19 1 "RMS(OBS, PRED)" HA 42 0.392 1
114 1 19 1 "RMS(OBS, PRED)" N 34 2.754 1
115 1 20 1 "RMS(OBS, PRED)" C 37 1.162 1
116 1 20 1 "RMS(OBS, PRED)" CA 37 1.255 1
117 1 20 1 "RMS(OBS, PRED)" CB 32 1.372 1
118 1 20 1 "RMS(OBS, PRED)" H 34 0.518 1
119 1 20 1 "RMS(OBS, PRED)" HA 42 0.392 1
120 1 20 1 "RMS(OBS, PRED)" N 34 2.996 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 4 . 1 1 A 9 9 GLY CA C 9 45.254 45.115 0.139 2
1 5 . 1 1 A 9 9 GLY HA3 H 9 3.953 4.082 -0.129 2
1 6 . 1 1 A 9 9 GLY C C 9 174.042 173.004 1.038 2
1 7 . 1 1 A 9 9 GLY HA2 H 9 3.953 4.079 -0.126 2
1 8 . 1 1 A 10 10 GLU N N 10 120.168 120.982 -0.814 2
1 9 . 1 1 A 10 10 GLU H H 10 8.189 8.529 -0.340 2
1 10 . 1 1 A 10 10 GLU CA C 10 56.864 55.808 1.056 2
1 11 . 1 1 A 10 10 GLU HA H 10 4.190 4.698 -0.508 2
1 12 . 1 1 A 10 10 GLU CB C 10 30.408 31.187 -0.779 2
1 16 . 1 1 A 10 10 GLU C C 10 176.310 175.499 0.811 2
1 19 . 1 1 A 11 11 LYS N N 11 121.384 123.868 -2.484 2
1 20 . 1 1 A 11 11 LYS H H 11 8.303 8.546 -0.243 2
1 21 . 1 1 A 11 11 LYS CA C 11 53.617 53.537 0.080 2
1 22 . 1 1 A 11 11 LYS HA H 11 4.442 4.673 -0.231 2
1 23 . 1 1 A 11 11 LYS CB C 11 32.516 33.207 -0.691 2
1 31 . 1 1 A 11 11 LYS C C 11 174.008 176.410 -2.402 2
1 36 . 1 1 A 12 12 PRO CA C 12 63.810 64.944 -1.134 2
1 37 . 1 1 A 12 12 PRO HA H 12 4.209 4.257 -0.048 2
1 38 . 1 1 A 12 12 PRO CB C 12 32.136 31.577 0.559 2
1 44 . 1 1 A 12 12 PRO C C 12 176.465 175.868 0.597 2
1 48 . 1 1 A 13 13 TYR N N 13 118.430 118.290 0.140 2
1 49 . 1 1 A 13 13 TYR H H 13 7.828 7.542 0.286 2
1 50 . 1 1 A 13 13 TYR CA C 13 57.575 57.707 -0.132 2
1 51 . 1 1 A 13 13 TYR HA H 13 4.633 4.984 -0.351 2
1 52 . 1 1 A 13 13 TYR CB C 13 38.137 40.656 -2.519 2
1 62 . 1 1 A 13 13 TYR C C 13 174.444 175.567 -1.123 2
1 64 . 1 1 A 14 14 LYS N N 14 124.304 121.079 3.225 2
1 65 . 1 1 A 14 14 LYS H H 14 8.454 8.899 -0.445 2
1 66 . 1 1 A 14 14 LYS CA C 14 54.800 54.197 0.603 2
1 67 . 1 1 A 14 14 LYS HA H 14 5.039 5.298 -0.259 2
1 68 . 1 1 A 14 14 LYS CB C 14 35.164 36.328 -1.164 2
1 76 . 1 1 A 14 14 LYS C C 14 175.455 175.291 0.164 2
1 81 . 1 1 A 15 15 CYS N N 15 126.669 123.291 3.378 2
1 82 . 1 1 A 15 15 CYS H H 15 9.138 9.101 0.037 2
1 83 . 1 1 A 15 15 CYS CA C 15 59.488 59.685 -0.197 2
1 84 . 1 1 A 15 15 CYS HA H 15 4.611 4.642 -0.031 2
1 85 . 1 1 A 15 15 CYS CB C 15 29.705 28.728 0.977 2
1 87 . 1 1 A 15 15 CYS C C 15 177.944 175.052 2.892 2
1 89 . 1 1 A 16 16 VAL N N 16 130.449 124.715 5.734 2
1 90 . 1 1 A 16 16 VAL H H 16 9.093 8.618 0.475 2
1 91 . 1 1 A 16 16 VAL CA C 16 64.724 63.438 1.286 2
1 92 . 1 1 A 16 16 VAL HA H 16 3.962 4.193 -0.231 2
1 93 . 1 1 A 16 16 VAL CB C 16 31.834 32.915 -1.081 2
1 103 . 1 1 A 16 16 VAL C C 16 176.285 177.471 -1.186 2
1 104 . 1 1 A 17 17 GLU N N 17 121.787 120.685 1.102 2
1 105 . 1 1 A 17 17 GLU H H 17 8.559 7.652 0.907 2
1 106 . 1 1 A 17 17 GLU CA C 17 58.471 58.671 -0.200 2
1 107 . 1 1 A 17 17 GLU HA H 17 4.214 4.000 0.214 2
1 108 . 1 1 A 17 17 GLU CB C 17 29.377 29.563 -0.186 2
1 112 . 1 1 A 17 17 GLU C C 17 177.492 177.915 -0.423 2
1 115 . 1 1 A 18 18 CYS N N 18 114.939 115.023 -0.084 2
1 116 . 1 1 A 18 18 CYS H H 18 8.082 7.978 0.104 2
1 117 . 1 1 A 18 18 CYS CA C 18 58.471 59.483 -1.012 2
1 118 . 1 1 A 18 18 CYS HA H 18 5.192 4.687 0.505 2
1 119 . 1 1 A 18 18 CYS CB C 18 32.509 30.083 2.426 2
1 121 . 1 1 A 18 18 CYS C C 18 176.460 175.600 0.860 2
1 123 . 1 1 A 19 19 GLY N N 19 113.538 110.363 3.175 2
1 124 . 1 1 A 19 19 GLY H H 19 8.196 8.223 -0.027 2
1 125 . 1 1 A 19 19 GLY CA C 19 46.242 45.285 0.957 2
1 126 . 1 1 A 19 19 GLY HA3 H 19 4.259 4.033 0.226 2
1 127 . 1 1 A 19 19 GLY C C 19 173.676 174.621 -0.945 2
1 128 . 1 1 A 19 19 GLY HA2 H 19 3.798 4.024 -0.226 2
1 129 . 1 1 A 20 20 LYS N N 20 123.263 121.570 1.693 2
1 130 . 1 1 A 20 20 LYS H H 20 7.926 7.494 0.432 2
1 131 . 1 1 A 20 20 LYS CA C 20 58.523 56.438 2.085 2
1 132 . 1 1 A 20 20 LYS HA H 20 3.981 4.301 -0.320 2
1 133 . 1 1 A 20 20 LYS CB C 20 33.810 33.857 -0.047 2
1 141 . 1 1 A 20 20 LYS C C 20 175.052 175.722 -0.670 2
1 146 . 1 1 A 21 21 GLY N N 21 108.411 109.857 -1.446 2
1 147 . 1 1 A 21 21 GLY H H 21 7.976 8.369 -0.393 2
1 148 . 1 1 A 21 21 GLY CA C 21 44.194 44.339 -0.145 2
1 149 . 1 1 A 21 21 GLY HA3 H 21 4.999 4.369 0.630 2
1 150 . 1 1 A 21 21 GLY C C 21 172.339 171.496 0.843 2
1 151 . 1 1 A 21 21 GLY HA2 H 21 3.313 4.270 -0.957 2
1 152 . 1 1 A 22 22 TYR N N 22 118.701 123.511 -4.810 2
1 153 . 1 1 A 22 22 TYR H H 22 8.712 9.152 -0.440 2
1 154 . 1 1 A 22 22 TYR CA C 22 58.193 56.666 1.527 2
1 155 . 1 1 A 22 22 TYR HA H 22 4.627 5.025 -0.398 2
1 156 . 1 1 A 22 22 TYR CB C 22 43.318 41.690 1.628 2
1 166 . 1 1 A 22 22 TYR C C 22 175.114 176.139 -1.025 2
1 168 . 1 1 A 23 23 LYS N N 23 120.476 124.852 -4.376 2
1 169 . 1 1 A 23 23 LYS H H 23 9.060 8.869 0.191 2
1 170 . 1 1 A 23 23 LYS CA C 23 58.595 59.160 -0.565 2
1 171 . 1 1 A 23 23 LYS HA H 23 4.450 4.200 0.250 2
1 172 . 1 1 A 23 23 LYS CB C 23 33.830 32.656 1.174 2
1 180 . 1 1 A 23 23 LYS C C 23 176.227 176.348 -0.121 2
1 185 . 1 1 A 24 24 ARG N N 24 114.342 118.579 -4.237 2
1 186 . 1 1 A 24 24 ARG H H 24 7.929 7.855 0.074 2
1 187 . 1 1 A 24 24 ARG CA C 24 53.954 54.651 -0.697 2
1 188 . 1 1 A 24 24 ARG HA H 24 4.786 4.807 -0.021 2
1 189 . 1 1 A 24 24 ARG CB C 24 32.890 32.712 0.177 2
1 195 . 1 1 A 24 24 ARG C C 24 176.136 176.131 0.005 2
1 199 . 1 1 A 25 25 ARG N N 25 127.212 124.938 2.274 2
1 200 . 1 1 A 25 25 ARG H H 25 8.379 8.295 0.084 2
1 201 . 1 1 A 25 25 ARG CA C 25 58.968 58.647 0.321 2
1 202 . 1 1 A 25 25 ARG HA H 25 3.047 3.363 -0.316 2
1 203 . 1 1 A 25 25 ARG CB C 25 28.874 29.312 -0.438 2
1 209 . 1 1 A 25 25 ARG C C 25 178.039 177.582 0.457 2
1 213 . 1 1 A 26 26 LEU N N 26 117.424 120.697 -3.273 2
1 214 . 1 1 A 26 26 LEU H H 26 8.321 8.013 0.308 2
1 215 . 1 1 A 26 26 LEU CA C 26 57.922 58.068 -0.146 2
1 216 . 1 1 A 26 26 LEU HA H 26 4.008 3.963 0.045 2
1 217 . 1 1 A 26 26 LEU CB C 26 42.295 41.585 0.710 2
1 229 . 1 1 A 26 26 LEU C C 26 178.591 178.024 0.567 2
1 231 . 1 1 A 27 27 ASP N N 27 116.153 118.698 -2.545 2
1 232 . 1 1 A 27 27 ASP H H 27 6.677 8.134 -1.457 2
1 233 . 1 1 A 27 27 ASP CA C 27 56.775 57.147 -0.372 2
1 234 . 1 1 A 27 27 ASP HA H 27 4.419 4.374 0.045 2
1 235 . 1 1 A 27 27 ASP CB C 27 40.901 40.972 -0.071 2
1 237 . 1 1 A 27 27 ASP C C 27 178.564 178.418 0.146 2
1 239 . 1 1 A 28 28 LEU N N 28 122.965 120.705 2.260 2
1 240 . 1 1 A 28 28 LEU H H 28 7.010 7.536 -0.526 2
1 241 . 1 1 A 28 28 LEU CA C 28 57.793 57.740 0.053 2
1 242 . 1 1 A 28 28 LEU HA H 28 3.620 3.185 0.435 2
1 243 . 1 1 A 28 28 LEU CB C 28 40.261 41.348 -1.087 2
1 255 . 1 1 A 28 28 LEU C C 28 177.807 177.993 -0.186 2
1 257 . 1 1 A 29 29 ASP N N 29 120.296 118.729 1.567 2
1 258 . 1 1 A 29 29 ASP H H 29 8.371 8.451 -0.080 2
1 259 . 1 1 A 29 29 ASP CA C 29 57.703 57.101 0.602 2
1 260 . 1 1 A 29 29 ASP HA H 29 4.299 4.278 0.021 2
1 261 . 1 1 A 29 29 ASP CB C 29 39.968 41.180 -1.212 2
1 263 . 1 1 A 29 29 ASP C C 29 179.252 178.252 1.000 2
1 265 . 1 1 A 30 30 PHE N N 30 118.906 120.193 -1.287 2
1 266 . 1 1 A 30 30 PHE H H 30 7.830 7.645 0.185 2
1 267 . 1 1 A 30 30 PHE CA C 30 60.984 60.031 0.953 2
1 268 . 1 1 A 30 30 PHE HA H 30 4.238 4.153 0.085 2
1 269 . 1 1 A 30 30 PHE CB C 30 38.859 39.560 -0.701 2
1 281 . 1 1 A 30 30 PHE C C 30 178.386 177.464 0.922 2
1 283 . 1 1 A 31 31 HIS N N 31 119.537 118.723 0.814 2
1 284 . 1 1 A 31 31 HIS H H 31 7.773 8.437 -0.664 2
1 285 . 1 1 A 31 31 HIS CA C 31 58.968 59.888 -0.920 2
1 286 . 1 1 A 31 31 HIS HA H 31 4.244 4.270 -0.026 2
1 287 . 1 1 A 31 31 HIS CB C 31 28.055 29.716 -1.661 2
1 293 . 1 1 A 31 31 HIS C C 31 176.042 177.347 -1.305 2
1 295 . 1 1 A 32 32 GLN N N 32 114.850 117.439 -2.589 2
1 296 . 1 1 A 32 32 GLN H H 32 8.297 8.134 0.163 2
1 297 . 1 1 A 32 32 GLN CA C 32 59.097 58.983 0.114 2
1 298 . 1 1 A 32 32 GLN HA H 32 3.694 3.827 -0.133 2
1 299 . 1 1 A 32 32 GLN CB C 32 28.158 28.278 -0.120 2
1 306 . 1 1 A 32 32 GLN C C 32 177.287 178.608 -1.321 2
1 309 . 1 1 A 33 33 ARG N N 33 117.557 120.250 -2.693 2
1 310 . 1 1 A 33 33 ARG H H 33 7.132 8.064 -0.932 2
1 311 . 1 1 A 33 33 ARG CA C 33 58.358 58.914 -0.556 2
1 312 . 1 1 A 33 33 ARG HA H 33 4.101 4.065 0.036 2
1 313 . 1 1 A 33 33 ARG CB C 33 29.730 29.703 0.027 2
1 319 . 1 1 A 33 33 ARG C C 33 178.499 178.793 -0.294 2
1 323 . 1 1 A 34 34 VAL N N 34 116.405 116.597 -0.192 2
1 324 . 1 1 A 34 34 VAL H H 34 7.885 7.846 0.039 2
1 325 . 1 1 A 34 34 VAL CA C 34 63.968 65.313 -1.345 2
1 326 . 1 1 A 34 34 VAL HA H 34 3.874 3.707 0.167 2
1 327 . 1 1 A 34 34 VAL CB C 34 31.122 31.215 -0.093 2
1 337 . 1 1 A 34 34 VAL C C 34 177.300 177.754 -0.454 2
1 338 . 1 1 A 35 35 HIS N N 35 117.405 120.086 -2.681 2
1 339 . 1 1 A 35 35 HIS H H 35 7.235 7.575 -0.340 2
1 340 . 1 1 A 35 35 HIS CA C 35 55.330 59.055 -3.725 2
1 341 . 1 1 A 35 35 HIS HA H 35 4.857 4.321 0.536 2
1 342 . 1 1 A 35 35 HIS CB C 35 28.661 30.735 -2.074 2
1 348 . 1 1 A 35 35 HIS C C 35 175.854 176.695 -0.841 2
1 350 . 1 1 A 36 36 THR N N 36 112.155 111.374 0.781 2
1 351 . 1 1 A 36 36 THR H H 36 7.788 7.837 -0.049 2
1 352 . 1 1 A 36 36 THR CA C 36 62.772 62.667 0.105 2
1 353 . 1 1 A 36 36 THR HA H 36 4.328 4.249 0.079 2
1 354 . 1 1 A 36 36 THR CB C 36 69.799 68.883 0.916 2
1 360 . 1 1 A 36 36 THR C C 36 175.542 174.805 0.737 2
1 361 . 1 1 A 37 37 GLY N N 37 110.545 111.764 -1.219 2
1 362 . 1 1 A 37 37 GLY H H 37 8.233 8.209 0.024 2
1 363 . 1 1 A 37 37 GLY CA C 37 45.526 45.835 -0.309 2
1 364 . 1 1 A 37 37 GLY HA3 H 37 4.024 4.006 0.018 2
1 365 . 1 1 A 37 37 GLY C C 37 174.293 173.721 0.572 2
1 366 . 1 1 A 37 37 GLY HA2 H 37 3.942 3.999 -0.057 2
1 367 . 1 1 A 38 38 GLU N N 38 120.757 121.410 -0.653 2
1 368 . 1 1 A 38 38 GLU H H 38 8.087 8.226 -0.139 2
1 369 . 1 1 A 38 38 GLU CA C 38 56.756 56.327 0.429 2
1 370 . 1 1 A 38 38 GLU HA H 38 4.226 4.480 -0.254 2
1 371 . 1 1 A 38 38 GLU CB C 38 30.420 30.261 0.159 2
1 375 . 1 1 A 38 38 GLU C C 38 176.480 175.905 0.575 2
1 378 . 1 1 A 39 39 LYS N N 39 122.154 122.980 -0.826 2
1 379 . 1 1 A 39 39 LYS H H 39 8.322 8.283 0.039 2
1 380 . 1 1 A 39 39 LYS CA C 39 56.239 56.082 0.157 2
1 381 . 1 1 A 39 39 LYS HA H 39 4.315 4.555 -0.240 2
1 382 . 1 1 A 39 39 LYS CB C 39 32.799 33.952 -1.153 2
1 390 . 1 1 A 39 39 LYS C C 39 176.535 176.168 0.367 2
1 395 . 1 1 A 40 40 LEU N N 40 123.630 122.411 1.219 2
1 396 . 1 1 A 40 40 LEU H H 40 8.299 8.394 -0.095 2
1 397 . 1 1 A 40 40 LEU CA C 40 55.167 55.415 -0.248 2
1 398 . 1 1 A 40 40 LEU HA H 40 4.398 4.382 0.016 2
1 399 . 1 1 A 40 40 LEU CB C 40 42.364 42.706 -0.342 2
1 411 . 1 1 A 40 40 LEU C C 40 177.392 176.436 0.956 2
1 413 . 1 1 A 41 41 SER N N 41 116.506 116.338 0.168 2
1 414 . 1 1 A 41 41 SER H H 41 8.307 8.271 0.036 2
1 415 . 1 1 A 41 41 SER CA C 41 58.290 58.197 0.093 2
1 416 . 1 1 A 41 41 SER HA H 41 4.449 4.629 -0.180 2
1 417 . 1 1 A 41 41 SER CB C 41 64.054 64.168 -0.114 2
1 419 . 1 1 A 41 41 SER C C 41 174.470 174.107 0.363 2
1 421 . 1 1 A 42 42 GLY N N 42 110.630 110.111 0.519 2
1 422 . 1 1 A 42 42 GLY H H 42 8.215 8.218 -0.003 2
1 423 . 1 1 A 42 42 GLY CA C 42 44.768 45.818 -1.050 2
1 424 . 1 1 A 42 42 GLY HA3 H 42 4.145 4.159 -0.014 2
1 425 . 1 1 A 42 42 GLY C C 42 171.726 173.737 -2.011 2
1 426 . 1 1 A 42 42 GLY HA2 H 42 4.145 4.158 -0.013 2
1 427 . 1 1 A 43 43 PRO CA C 43 63.300 63.263 0.037 2
1 428 . 1 1 A 43 43 PRO HA H 43 4.487 4.515 -0.028 2
1 429 . 1 1 A 43 43 PRO CB C 43 32.225 31.822 0.403 2
1 435 . 1 1 A 43 43 PRO C C 43 177.377 176.665 0.712 2
1 439 . 1 1 A 44 44 SER N N 44 116.384 115.488 0.896 2
1 440 . 1 1 A 44 44 SER H H 44 8.538 8.288 0.250 2
1 441 . 1 1 A 44 44 SER CA C 44 58.396 58.748 -0.352 2
1 442 . 1 1 A 44 44 SER HA H 44 4.462 4.559 -0.097 2
1 443 . 1 1 A 44 44 SER CB C 44 63.785 64.222 -0.437 2
1 445 . 1 1 A 44 44 SER C C 44 174.636 174.098 0.538 2
1 447 . 1 1 A 45 45 SER N N 45 117.830 117.829 0.001 2
1 448 . 1 1 A 45 45 SER H H 45 8.331 8.325 0.006 2
1 449 . 1 1 A 45 45 SER CA C 45 58.388 58.491 -0.103 2
1 450 . 1 1 A 45 45 SER HA H 45 4.452 4.617 -0.165 2
1 451 . 1 1 A 45 45 SER CB C 45 64.109 64.428 -0.319 2
1 453 . 1 1 A 45 45 SER C C 45 173.898 174.447 -0.549 2
stop_
save_