data_16033_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 16033
_Entry.PDB_ID 2KAX
_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 31
_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 14 . 1 1 1 A 2 2 GLU H H 2 8.722 8.445 0.277 1
1 15 . 1 1 1 A 2 2 GLU HA H 2 4.557 4.012 0.545 1
1 20 . 1 1 1 A 2 2 GLU C C 2 175.827 175.153 0.674 1
1 21 . 1 1 1 A 2 2 GLU CA C 2 58.063 57.803 0.260 1
1 22 . 1 1 1 A 2 2 GLU CB C 2 33.147 27.152 5.995 1
1 24 . 1 1 1 A 2 2 GLU N N 2 124.627 117.943 6.684 1
1 25 . 1 1 1 A 3 3 THR H H 3 8.670 7.732 0.938 1
1 26 . 1 1 1 A 3 3 THR HA H 3 4.616 4.634 -0.018 1
1 31 . 1 1 1 A 3 3 THR CA C 3 61.734 60.289 1.445 1
1 32 . 1 1 1 A 3 3 THR CB C 3 70.590 68.867 1.723 1
1 34 . 1 1 1 A 3 3 THR N N 3 116.274 111.620 4.654 1
1 35 . 1 1 1 A 4 4 PRO HA H 4 4.161 4.382 -0.221 1
1 42 . 1 1 1 A 4 4 PRO C C 4 172.227 177.915 -5.688 1
1 43 . 1 1 1 A 4 4 PRO CA C 4 68.211 65.487 2.724 1
1 44 . 1 1 1 A 4 4 PRO CB C 4 33.796 32.008 1.788 1
1 47 . 1 1 1 A 5 5 LEU H H 5 9.207 7.725 1.482 1
1 48 . 1 1 1 A 5 5 LEU HA H 5 4.038 4.042 -0.004 1
1 58 . 1 1 1 A 5 5 LEU C C 5 174.327 178.261 -3.934 1
1 59 . 1 1 1 A 5 5 LEU CA C 5 59.483 57.416 2.067 1
1 60 . 1 1 1 A 5 5 LEU CB C 5 43.877 41.661 2.216 1
1 64 . 1 1 1 A 5 5 LEU N N 5 119.157 117.744 1.413 1
1 65 . 1 1 1 A 6 6 GLU H H 6 7.661 8.017 -0.356 1
1 66 . 1 1 1 A 6 6 GLU HA H 6 3.755 3.903 -0.148 1
1 71 . 1 1 1 A 6 6 GLU C C 6 172.727 179.139 -6.412 1
1 72 . 1 1 1 A 6 6 GLU CA C 6 61.953 59.851 2.102 1
1 73 . 1 1 1 A 6 6 GLU CB C 6 31.354 29.167 2.187 1
1 75 . 1 1 1 A 6 6 GLU N N 6 119.837 119.316 0.521 1
1 76 . 1 1 1 A 7 7 LYS H H 7 8.430 7.972 0.458 1
1 77 . 1 1 1 A 7 7 LYS HA H 7 3.921 4.078 -0.157 1
1 86 . 1 1 1 A 7 7 LYS C C 7 172.927 179.271 -6.344 1
1 87 . 1 1 1 A 7 7 LYS CA C 7 61.312 59.050 2.262 1
1 88 . 1 1 1 A 7 7 LYS CB C 7 33.861 31.659 2.202 1
1 92 . 1 1 1 A 7 7 LYS N N 7 119.023 119.411 -0.388 1
1 93 . 1 1 1 A 8 8 ALA H H 8 8.079 7.850 0.229 1
1 94 . 1 1 1 A 8 8 ALA HA H 8 4.085 4.042 0.043 1
1 98 . 1 1 1 A 8 8 ALA C C 8 173.027 180.049 -7.022 1
1 99 . 1 1 1 A 8 8 ALA CA C 8 56.967 55.253 1.714 1
1 100 . 1 1 1 A 8 8 ALA CB C 8 20.140 18.694 1.446 1
1 101 . 1 1 1 A 8 8 ALA N N 8 123.824 122.449 1.375 1
1 102 . 1 1 1 A 9 9 LEU H H 9 8.032 8.436 -0.404 1
1 103 . 1 1 1 A 9 9 LEU HA H 9 4.061 3.994 0.067 1
1 113 . 1 1 1 A 9 9 LEU C C 9 172.527 179.206 -6.679 1
1 114 . 1 1 1 A 9 9 LEU CA C 9 60.071 58.056 2.015 1
1 115 . 1 1 1 A 9 9 LEU CB C 9 42.714 41.810 0.904 1
1 119 . 1 1 1 A 9 9 LEU N N 9 118.643 117.933 0.710 1
1 120 . 1 1 1 A 10 10 THR H H 10 8.686 8.293 0.393 1
1 121 . 1 1 1 A 10 10 THR HA H 10 3.798 3.972 -0.174 1
1 126 . 1 1 1 A 10 10 THR C C 10 175.127 176.726 -1.599 1
1 127 . 1 1 1 A 10 10 THR CA C 10 69.282 66.517 2.765 1
1 128 . 1 1 1 A 10 10 THR CB C 10 70.132 68.655 1.477 1
1 130 . 1 1 1 A 10 10 THR N N 10 117.087 115.477 1.610 1
1 131 . 1 1 1 A 11 11 THR H H 11 8.628 8.196 0.432 1
1 132 . 1 1 1 A 11 11 THR HA H 11 3.961 3.961 0.000 1
1 137 . 1 1 1 A 11 11 THR C C 11 174.427 176.723 -2.296 1
1 138 . 1 1 1 A 11 11 THR CA C 11 68.408 66.953 1.455 1
1 139 . 1 1 1 A 11 11 THR CB C 11 69.107 68.477 0.630 1
1 141 . 1 1 1 A 11 11 THR N N 11 120.770 116.988 3.782 1
1 142 . 1 1 1 A 12 12 MET H H 12 8.390 8.344 0.046 1
1 143 . 1 1 1 A 12 12 MET HA H 12 3.956 4.368 -0.412 1
1 151 . 1 1 1 A 12 12 MET C C 12 175.127 178.518 -3.391 1
1 152 . 1 1 1 A 12 12 MET CA C 12 62.750 57.665 5.085 1
1 153 . 1 1 1 A 12 12 MET CB C 12 34.952 32.562 2.390 1
1 156 . 1 1 1 A 12 12 MET N N 12 124.388 119.051 5.337 1
1 157 . 1 1 1 A 13 13 VAL H H 13 8.104 8.704 -0.600 1
1 158 . 1 1 1 A 13 13 VAL HA H 13 3.576 4.315 -0.739 1
1 166 . 1 1 1 A 13 13 VAL C C 13 175.327 178.490 -3.163 1
1 167 . 1 1 1 A 13 13 VAL CA C 13 68.958 66.153 2.805 1
1 168 . 1 1 1 A 13 13 VAL CB C 13 33.703 31.628 2.075 1
1 171 . 1 1 1 A 13 13 VAL N N 13 121.753 116.841 4.912 1
1 172 . 1 1 1 A 14 14 THR H H 14 9.186 8.532 0.654 1
1 173 . 1 1 1 A 14 14 THR HA H 14 3.774 3.994 -0.220 1
1 178 . 1 1 1 A 14 14 THR C C 14 173.927 177.200 -3.273 1
1 179 . 1 1 1 A 14 14 THR CA C 14 67.955 66.002 1.953 1
1 180 . 1 1 1 A 14 14 THR CB C 14 70.504 68.316 2.188 1
1 182 . 1 1 1 A 14 14 THR N N 14 114.911 116.724 -1.813 1
1 183 . 1 1 1 A 15 15 THR H H 15 8.453 8.312 0.141 1
1 184 . 1 1 1 A 15 15 THR HA H 15 3.859 4.213 -0.354 1
1 190 . 1 1 1 A 15 15 THR C C 15 178.127 176.759 1.368 1
1 191 . 1 1 1 A 15 15 THR CA C 15 69.609 65.734 3.875 1
1 192 . 1 1 1 A 15 15 THR CB C 15 70.511 68.480 2.031 1
1 194 . 1 1 1 A 15 15 THR N N 15 118.791 113.153 5.638 1
1 195 . 1 1 1 A 16 16 PHE H H 16 7.207 8.393 -1.186 1
1 196 . 1 1 1 A 16 16 PHE HA H 16 3.572 4.117 -0.545 1
1 203 . 1 1 1 A 16 16 PHE C C 16 178.527 177.662 0.865 1
1 204 . 1 1 1 A 16 16 PHE CA C 16 64.090 61.566 2.524 1
1 205 . 1 1 1 A 16 16 PHE CB C 16 41.091 39.100 1.991 1
1 206 . 1 1 1 A 16 16 PHE N N 16 121.331 124.739 -3.408 1
1 207 . 1 1 1 A 17 17 HIS H H 17 8.393 8.649 -0.256 1
1 208 . 1 1 1 A 17 17 HIS HA H 17 5.329 4.306 1.023 1
1 211 . 1 1 1 A 17 17 HIS C C 17 174.627 176.934 -2.307 1
1 212 . 1 1 1 A 17 17 HIS CA C 17 56.667 59.474 -2.807 1
1 213 . 1 1 1 A 17 17 HIS CB C 17 32.397 30.158 2.239 1
1 214 . 1 1 1 A 17 17 HIS N N 17 117.858 118.891 -1.033 1
1 215 . 1 1 1 A 18 18 LYS H H 18 7.767 7.953 -0.186 1
1 216 . 1 1 1 A 18 18 LYS HA H 18 3.553 3.921 -0.368 1
1 225 . 1 1 1 A 18 18 LYS C C 18 175.527 177.079 -1.552 1
1 226 . 1 1 1 A 18 18 LYS CA C 18 61.301 58.662 2.639 1
1 227 . 1 1 1 A 18 18 LYS CB C 18 33.523 32.147 1.376 1
1 231 . 1 1 1 A 18 18 LYS N N 18 120.691 118.876 1.815 1
1 232 . 1 1 1 A 19 19 TYR H H 19 7.079 7.878 -0.799 1
1 233 . 1 1 1 A 19 19 TYR HA H 19 3.993 4.581 -0.588 1
1 240 . 1 1 1 A 19 19 TYR C C 19 174.227 176.793 -2.566 1
1 241 . 1 1 1 A 19 19 TYR CA C 19 61.287 58.703 2.584 1
1 242 . 1 1 1 A 19 19 TYR CB C 19 42.066 39.998 2.068 1
1 243 . 1 1 1 A 19 19 TYR N N 19 114.592 116.508 -1.916 1
1 244 . 1 1 1 A 20 20 SER H H 20 9.708 8.298 1.410 1
1 245 . 1 1 1 A 20 20 SER HA H 20 4.117 4.223 -0.106 1
1 248 . 1 1 1 A 20 20 SER C C 20 175.227 176.563 -1.336 1
1 249 . 1 1 1 A 20 20 SER CA C 20 60.135 61.077 -0.942 1
1 250 . 1 1 1 A 20 20 SER CB C 20 63.159 62.857 0.302 1
1 251 . 1 1 1 A 20 20 SER N N 20 121.764 114.369 7.395 1
1 252 . 1 1 1 A 21 21 GLY H H 21 8.146 7.732 0.414 1
1 253 . 1 1 1 A 21 21 GLY HA2 H 21 3.956 3.751 0.205 1
1 254 . 1 1 1 A 21 21 GLY HA3 H 21 3.571 3.945 -0.374 1
1 255 . 1 1 1 A 21 21 GLY C C 21 177.927 174.664 3.263 1
1 256 . 1 1 1 A 21 21 GLY CA C 21 46.646 45.539 1.107 1
1 257 . 1 1 1 A 21 21 GLY N N 21 106.982 108.950 -1.968 1
1 258 . 1 1 1 A 22 22 ARG H H 22 7.007 7.637 -0.630 1
1 259 . 1 1 1 A 22 22 ARG HA H 22 3.815 4.222 -0.407 1
1 266 . 1 1 1 A 22 22 ARG C C 22 175.927 175.872 0.055 1
1 267 . 1 1 1 A 22 22 ARG CA C 22 60.766 57.863 2.903 1
1 268 . 1 1 1 A 22 22 ARG CB C 22 32.302 30.972 1.330 1
1 271 . 1 1 1 A 22 22 ARG N N 22 118.055 119.437 -1.382 1
1 272 . 1 1 1 A 23 23 GLU H H 23 7.551 7.606 -0.055 1
1 273 . 1 1 1 A 23 23 GLU HA H 23 4.436 4.752 -0.316 1
1 278 . 1 1 1 A 23 23 GLU C C 23 177.727 177.294 0.433 1
1 279 . 1 1 1 A 23 23 GLU CA C 23 56.853 54.218 2.635 1
1 280 . 1 1 1 A 23 23 GLU CB C 23 33.988 32.744 1.244 1
1 282 . 1 1 1 A 23 23 GLU N N 23 114.631 116.769 -2.138 1
1 283 . 1 1 1 A 24 24 GLY H H 24 8.376 8.631 -0.255 1
1 284 . 1 1 1 A 24 24 GLY HA2 H 24 3.771 3.847 -0.076 1
1 285 . 1 1 1 A 24 24 GLY HA3 H 24 3.567 3.877 -0.310 1
1 286 . 1 1 1 A 24 24 GLY C C 24 177.127 173.828 3.299 1
1 287 . 1 1 1 A 24 24 GLY CA C 24 47.718 45.671 2.047 1
1 288 . 1 1 1 A 24 24 GLY N N 24 107.626 110.466 -2.840 1
1 289 . 1 1 1 A 25 25 SER H H 25 8.443 7.663 0.780 1
1 290 . 1 1 1 A 25 25 SER HA H 25 4.314 4.964 -0.650 1
1 293 . 1 1 1 A 25 25 SER C C 25 175.527 172.934 2.593 1
1 294 . 1 1 1 A 25 25 SER CA C 25 59.146 56.937 2.209 1
1 295 . 1 1 1 A 25 25 SER CB C 25 65.573 65.174 0.399 1
1 296 . 1 1 1 A 25 25 SER N N 25 119.000 114.663 4.337 1
1 297 . 1 1 1 A 26 26 LYS H H 26 8.821 8.783 0.038 1
1 298 . 1 1 1 A 26 26 LYS HA H 26 4.307 4.589 -0.282 1
1 307 . 1 1 1 A 26 26 LYS C C 26 176.027 177.322 -1.295 1
1 308 . 1 1 1 A 26 26 LYS CA C 26 59.180 56.534 2.646 1
1 309 . 1 1 1 A 26 26 LYS CB C 26 33.211 32.973 0.238 1
1 313 . 1 1 1 A 26 26 LYS N N 26 126.125 126.996 -0.871 1
1 314 . 1 1 1 A 27 27 LEU H H 27 8.237 7.854 0.383 1
1 315 . 1 1 1 A 27 27 LEU HA H 27 4.534 4.604 -0.070 1
1 325 . 1 1 1 A 27 27 LEU C C 27 175.627 176.992 -1.365 1
1 326 . 1 1 1 A 27 27 LEU CA C 27 56.384 55.264 1.120 1
1 327 . 1 1 1 A 27 27 LEU CB C 27 44.218 43.097 1.121 1
1 331 . 1 1 1 A 27 27 LEU N N 27 117.484 117.825 -0.341 1
1 332 . 1 1 1 A 28 28 THR H H 28 7.386 7.832 -0.446 1
1 333 . 1 1 1 A 28 28 THR HA H 28 5.517 5.604 -0.087 1
1 338 . 1 1 1 A 28 28 THR C C 28 180.227 173.302 6.925 1
1 339 . 1 1 1 A 28 28 THR CA C 28 61.014 60.310 0.704 1
1 340 . 1 1 1 A 28 28 THR CB C 28 75.348 72.612 2.736 1
1 342 . 1 1 1 A 28 28 THR N N 28 106.230 108.045 -1.815 1
1 343 . 1 1 1 A 29 29 LEU H H 29 8.721 8.492 0.229 1
1 344 . 1 1 1 A 29 29 LEU HA H 29 4.713 4.634 0.079 1
1 354 . 1 1 1 A 29 29 LEU C C 29 176.927 175.358 1.569 1
1 355 . 1 1 1 A 29 29 LEU CA C 29 55.163 54.275 0.888 1
1 356 . 1 1 1 A 29 29 LEU CB C 29 46.059 43.065 2.994 1
1 360 . 1 1 1 A 29 29 LEU N N 29 116.728 117.205 -0.477 1
1 361 . 1 1 1 A 30 30 SER H H 30 8.866 8.666 0.200 1
1 362 . 1 1 1 A 30 30 SER HA H 30 4.942 4.933 0.009 1
1 365 . 1 1 1 A 30 30 SER C C 30 176.327 176.150 0.177 1
1 366 . 1 1 1 A 30 30 SER CA C 30 59.032 57.097 1.935 1
1 367 . 1 1 1 A 30 30 SER CB C 30 67.150 64.996 2.154 1
1 368 . 1 1 1 A 30 30 SER N N 30 117.110 114.908 2.202 1
1 369 . 1 1 1 A 31 31 ARG H H 31 8.393 8.852 -0.459 1
1 370 . 1 1 1 A 31 31 ARG HA H 31 3.695 3.952 -0.257 1
1 377 . 1 1 1 A 31 31 ARG C C 31 174.127 178.828 -4.701 1
1 378 . 1 1 1 A 31 31 ARG CA C 31 62.776 60.053 2.723 1
1 379 . 1 1 1 A 31 31 ARG CB C 31 31.601 29.928 1.673 1
1 382 . 1 1 1 A 31 31 ARG N N 31 121.109 122.198 -1.089 1
1 383 . 1 1 1 A 32 32 LYS H H 32 8.264 8.178 0.086 1
1 384 . 1 1 1 A 32 32 LYS HA H 32 3.912 3.966 -0.054 1
1 393 . 1 1 1 A 32 32 LYS C C 32 172.827 178.646 -5.819 1
1 394 . 1 1 1 A 32 32 LYS CA C 32 61.591 59.544 2.047 1
1 395 . 1 1 1 A 32 32 LYS CB C 32 34.116 32.157 1.959 1
1 399 . 1 1 1 A 32 32 LYS N N 32 118.536 120.115 -1.579 1
1 400 . 1 1 1 A 33 33 GLU H H 33 7.790 7.550 0.240 1
1 401 . 1 1 1 A 33 33 GLU HA H 33 4.049 4.072 -0.023 1
1 406 . 1 1 1 A 33 33 GLU C C 33 174.327 178.646 -4.319 1
1 407 . 1 1 1 A 33 33 GLU CA C 33 60.634 58.670 1.964 1
1 408 . 1 1 1 A 33 33 GLU CB C 33 31.617 29.335 2.282 1
1 410 . 1 1 1 A 33 33 GLU N N 33 121.557 118.802 2.755 1
1 411 . 1 1 1 A 34 34 LEU H H 34 8.388 7.875 0.513 1
1 412 . 1 1 1 A 34 34 LEU HA H 34 3.844 3.772 0.072 1
1 422 . 1 1 1 A 34 34 LEU C C 34 174.927 178.396 -3.469 1
1 423 . 1 1 1 A 34 34 LEU CA C 34 59.173 57.752 1.421 1
1 424 . 1 1 1 A 34 34 LEU CB C 34 42.053 41.470 0.583 1
1 428 . 1 1 1 A 34 34 LEU N N 34 120.999 121.442 -0.443 1
1 429 . 1 1 1 A 35 35 LYS H H 35 7.817 7.927 -0.110 1
1 430 . 1 1 1 A 35 35 LYS HA H 35 3.478 3.896 -0.418 1
1 439 . 1 1 1 A 35 35 LYS C C 35 174.627 178.442 -3.815 1
1 440 . 1 1 1 A 35 35 LYS CA C 35 62.312 59.959 2.353 1
1 441 . 1 1 1 A 35 35 LYS CB C 35 33.814 32.364 1.450 1
1 445 . 1 1 1 A 35 35 LYS N N 35 118.738 118.736 0.002 1
1 446 . 1 1 1 A 36 36 GLU H H 36 7.208 7.365 -0.157 1
1 447 . 1 1 1 A 36 36 GLU HA H 36 3.801 4.112 -0.311 1
1 452 . 1 1 1 A 36 36 GLU C C 36 175.227 178.352 -3.125 1
1 453 . 1 1 1 A 36 36 GLU CA C 36 61.015 58.732 2.283 1
1 454 . 1 1 1 A 36 36 GLU CB C 36 30.770 29.409 1.361 1
1 456 . 1 1 1 A 36 36 GLU N N 36 118.771 118.829 -0.058 1
1 457 . 1 1 1 A 37 37 LEU H H 37 8.038 8.079 -0.041 1
1 458 . 1 1 1 A 37 37 LEU HA H 37 3.178 3.264 -0.086 1
1 468 . 1 1 1 A 37 37 LEU C C 37 172.927 178.184 -5.257 1
1 469 . 1 1 1 A 37 37 LEU CA C 37 60.915 57.967 2.948 1
1 470 . 1 1 1 A 37 37 LEU CB C 37 43.352 41.040 2.312 1
1 474 . 1 1 1 A 37 37 LEU N N 37 121.767 120.333 1.434 1
1 475 . 1 1 1 A 38 38 ILE H H 38 8.224 7.993 0.231 1
1 476 . 1 1 1 A 38 38 ILE HA H 38 3.234 3.396 -0.162 1
1 486 . 1 1 1 A 38 38 ILE C C 38 174.727 178.197 -3.470 1
1 487 . 1 1 1 A 38 38 ILE CA C 38 66.464 65.646 0.818 1
1 488 . 1 1 1 A 38 38 ILE CB C 38 38.799 37.800 0.999 1
1 492 . 1 1 1 A 38 38 ILE N N 38 119.417 119.987 -0.570 1
1 493 . 1 1 1 A 39 39 LYS H H 39 7.700 7.600 0.100 1
1 494 . 1 1 1 A 39 39 LYS HA H 39 3.894 4.168 -0.274 1
1 503 . 1 1 1 A 39 39 LYS C C 39 173.727 179.105 -5.378 1
1 504 . 1 1 1 A 39 39 LYS CA C 39 61.015 59.003 2.012 1
1 505 . 1 1 1 A 39 39 LYS CB C 39 34.100 32.408 1.692 1
1 509 . 1 1 1 A 39 39 LYS N N 39 117.277 119.328 -2.051 1
1 510 . 1 1 1 A 40 40 LYS H H 40 8.170 7.856 0.314 1
1 511 . 1 1 1 A 40 40 LYS HA H 40 4.226 4.107 0.119 1
1 520 . 1 1 1 A 40 40 LYS C C 40 173.427 178.631 -5.204 1
1 521 . 1 1 1 A 40 40 LYS CA C 40 59.251 59.313 -0.062 1
1 522 . 1 1 1 A 40 40 LYS CB C 40 35.528 32.813 2.715 1
1 526 . 1 1 1 A 40 40 LYS N N 40 115.146 119.192 -4.046 1
1 527 . 1 1 1 A 41 41 GLU H H 41 8.778 8.382 0.396 1
1 528 . 1 1 1 A 41 41 GLU HA H 41 4.629 4.252 0.377 1
1 533 . 1 1 1 A 41 41 GLU C C 41 175.527 175.927 -0.400 1
1 534 . 1 1 1 A 41 41 GLU CA C 41 57.177 57.769 -0.592 1
1 535 . 1 1 1 A 41 41 GLU CB C 41 31.656 30.465 1.191 1
1 537 . 1 1 1 A 41 41 GLU N N 41 113.604 117.722 -4.118 1
1 538 . 1 1 1 A 42 42 LEU H H 42 7.610 7.661 -0.051 1
1 539 . 1 1 1 A 42 42 LEU HA H 42 4.475 4.595 -0.120 1
1 549 . 1 1 1 A 42 42 LEU C C 42 177.227 175.029 2.198 1
1 550 . 1 1 1 A 42 42 LEU CA C 42 56.047 53.994 2.053 1
1 551 . 1 1 1 A 42 42 LEU CB C 42 45.748 43.467 2.281 1
1 555 . 1 1 1 A 42 42 LEU N N 42 118.997 119.829 -0.832 1
1 556 . 1 1 1 A 43 43 CYS H H 43 8.501 8.836 -0.335 1
1 557 . 1 1 1 A 43 43 CYS HA H 43 4.397 4.548 -0.151 1
1 560 . 1 1 1 A 43 43 CYS C C 43 177.327 174.406 2.921 1
1 561 . 1 1 1 A 43 43 CYS CA C 43 60.023 59.025 0.998 1
1 562 . 1 1 1 A 43 43 CYS CB C 43 27.915 27.696 0.219 1
1 563 . 1 1 1 A 43 43 CYS N N 43 119.622 124.537 -4.915 1
1 564 . 1 1 1 A 44 44 LEU H H 44 8.200 8.377 -0.177 1
1 565 . 1 1 1 A 44 44 LEU HA H 44 3.979 4.493 -0.514 1
1 575 . 1 1 1 A 44 44 LEU C C 44 173.927 177.467 -3.540 1
1 576 . 1 1 1 A 44 44 LEU CA C 44 57.244 55.511 1.733 1
1 577 . 1 1 1 A 44 44 LEU CB C 44 43.622 44.863 -1.241 1
1 581 . 1 1 1 A 44 44 LEU N N 44 121.955 126.238 -4.283 1
1 582 . 1 1 1 A 45 45 GLY H H 45 8.244 8.041 0.203 1
1 583 . 1 1 1 A 45 45 GLY HA2 H 45 3.849 3.888 -0.039 1
1 584 . 1 1 1 A 45 45 GLY HA3 H 45 3.789 3.929 -0.140 1
1 585 . 1 1 1 A 45 45 GLY C C 45 178.027 174.794 3.233 1
1 586 . 1 1 1 A 45 45 GLY CA C 45 47.023 46.767 0.256 1
1 587 . 1 1 1 A 45 45 GLY N N 45 107.702 107.023 0.679 1
1 588 . 1 1 1 A 46 46 GLU H H 46 8.286 7.713 0.573 1
1 589 . 1 1 1 A 46 46 GLU HA H 46 4.039 4.532 -0.493 1
1 594 . 1 1 1 A 46 46 GLU C C 46 175.127 177.368 -2.241 1
1 595 . 1 1 1 A 46 46 GLU CA C 46 59.176 56.559 2.617 1
1 596 . 1 1 1 A 46 46 GLU CB C 46 31.361 31.928 -0.567 1
1 598 . 1 1 1 A 46 46 GLU N N 46 119.602 119.290 0.312 1
1 599 . 1 1 1 A 47 47 MET H H 47 8.048 8.538 -0.490 1
1 600 . 1 1 1 A 47 47 MET HA H 47 4.229 4.259 -0.030 1
1 608 . 1 1 1 A 47 47 MET C C 47 175.727 175.826 -0.099 1
1 609 . 1 1 1 A 47 47 MET CA C 47 58.183 58.414 -0.231 1
1 610 . 1 1 1 A 47 47 MET CB C 47 34.087 33.384 0.703 1
1 613 . 1 1 1 A 47 47 MET N N 47 119.617 118.489 1.128 1
1 614 . 1 1 1 A 48 48 LYS H H 48 8.221 7.801 0.420 1
1 615 . 1 1 1 A 48 48 LYS HA H 48 4.217 4.877 -0.660 1
1 624 . 1 1 1 A 48 48 LYS C C 48 174.927 174.637 0.290 1
1 625 . 1 1 1 A 48 48 LYS CA C 48 58.304 54.943 3.361 1
1 626 . 1 1 1 A 48 48 LYS CB C 48 34.548 36.000 -1.452 1
1 630 . 1 1 1 A 48 48 LYS N N 48 120.987 117.504 3.483 1
1 631 . 1 1 1 A 49 49 GLU H H 49 8.346 9.010 -0.664 1
1 632 . 1 1 1 A 49 49 GLU HA H 49 3.922 4.547 -0.625 1
1 637 . 1 1 1 A 49 49 GLU C C 49 174.427 176.354 -1.927 1
1 638 . 1 1 1 A 49 49 GLU CA C 49 60.298 57.117 3.181 1
1 639 . 1 1 1 A 49 49 GLU CB C 49 31.065 30.824 0.241 1
1 641 . 1 1 1 A 49 49 GLU N N 49 121.867 121.738 0.129 1
1 642 . 1 1 1 A 50 50 SER H H 50 8.348 8.175 0.173 1
1 643 . 1 1 1 A 50 50 SER HA H 50 4.172 4.314 -0.142 1
1 647 . 1 1 1 A 50 50 SER C C 50 176.027 175.122 0.905 1
1 648 . 1 1 1 A 50 50 SER CA C 50 62.548 60.687 1.861 1
1 649 . 1 1 1 A 50 50 SER CB C 50 64.840 62.747 2.093 1
1 650 . 1 1 1 A 50 50 SER N N 50 115.695 116.072 -0.377 1
1 651 . 1 1 1 A 51 51 SER H H 51 7.980 8.845 -0.865 1
1 652 . 1 1 1 A 51 51 SER HA H 51 4.258 4.090 0.168 1
1 655 . 1 1 1 A 51 51 SER C C 51 174.427 175.033 -0.606 1
1 656 . 1 1 1 A 51 51 SER CA C 51 62.828 61.177 1.651 1
1 657 . 1 1 1 A 51 51 SER CB C 51 64.749 61.074 3.675 1
1 658 . 1 1 1 A 51 51 SER N N 51 117.126 116.409 0.717 1
1 659 . 1 1 1 A 52 52 ILE H H 52 7.365 8.016 -0.651 1
1 660 . 1 1 1 A 52 52 ILE HA H 52 4.038 3.920 0.118 1
1 670 . 1 1 1 A 52 52 ILE C C 52 175.627 177.586 -1.959 1
1 671 . 1 1 1 A 52 52 ILE CA C 52 64.609 64.394 0.215 1
1 672 . 1 1 1 A 52 52 ILE CB C 52 39.272 37.680 1.592 1
1 676 . 1 1 1 A 52 52 ILE N N 52 117.484 120.417 -2.933 1
1 677 . 1 1 1 A 53 53 ASP H H 53 7.681 8.235 -0.554 1
1 678 . 1 1 1 A 53 53 ASP HA H 53 4.214 4.397 -0.183 1
1 681 . 1 1 1 A 53 53 ASP C C 53 174.027 177.888 -3.861 1
1 682 . 1 1 1 A 53 53 ASP CA C 53 59.799 57.388 2.411 1
1 683 . 1 1 1 A 53 53 ASP CB C 53 42.927 41.397 1.530 1
1 684 . 1 1 1 A 53 53 ASP N N 53 121.969 121.539 0.430 1
1 685 . 1 1 1 A 54 54 ASP H H 54 8.227 7.614 0.613 1
1 686 . 1 1 1 A 54 54 ASP HA H 54 4.231 4.394 -0.163 1
1 689 . 1 1 1 A 54 54 ASP C C 54 172.927 178.665 -5.738 1
1 690 . 1 1 1 A 54 54 ASP CA C 54 59.507 56.658 2.849 1
1 691 . 1 1 1 A 54 54 ASP CB C 54 41.818 41.046 0.772 1
1 692 . 1 1 1 A 54 54 ASP N N 54 118.083 120.009 -1.926 1
1 693 . 1 1 1 A 55 55 LEU H H 55 7.650 8.134 -0.484 1
1 694 . 1 1 1 A 55 55 LEU HA H 55 4.016 3.728 0.288 1
1 704 . 1 1 1 A 55 55 LEU C C 55 171.927 179.203 -7.276 1
1 705 . 1 1 1 A 55 55 LEU CA C 55 59.965 57.846 2.119 1
1 706 . 1 1 1 A 55 55 LEU CB C 55 43.370 41.281 2.089 1
1 710 . 1 1 1 A 55 55 LEU N N 55 121.634 119.811 1.823 1
1 711 . 1 1 1 A 56 56 MET H H 56 8.429 8.285 0.144 1
1 712 . 1 1 1 A 56 56 MET HA H 56 4.325 4.253 0.072 1
1 720 . 1 1 1 A 56 56 MET C C 56 172.527 178.541 -6.014 1
1 721 . 1 1 1 A 56 56 MET CA C 56 59.221 59.090 0.131 1
1 722 . 1 1 1 A 56 56 MET CB C 56 34.106 32.551 1.555 1
1 725 . 1 1 1 A 56 56 MET N N 56 118.696 117.484 1.212 1
1 726 . 1 1 1 A 57 57 LYS H H 57 8.249 7.653 0.596 1
1 727 . 1 1 1 A 57 57 LYS HA H 57 3.996 4.186 -0.190 1
1 736 . 1 1 1 A 57 57 LYS C C 57 172.527 177.783 -5.256 1
1 737 . 1 1 1 A 57 57 LYS CA C 57 60.872 58.667 2.205 1
1 738 . 1 1 1 A 57 57 LYS CB C 57 33.853 32.370 1.483 1
1 742 . 1 1 1 A 57 57 LYS N N 57 119.855 119.555 0.300 1
1 743 . 1 1 1 A 58 58 SER H H 58 7.729 8.110 -0.381 1
1 744 . 1 1 1 A 58 58 SER HA H 58 4.125 4.373 -0.248 1
1 747 . 1 1 1 A 58 58 SER C C 58 176.527 176.137 0.390 1
1 748 . 1 1 1 A 58 58 SER CA C 58 63.029 60.991 2.038 1
1 749 . 1 1 1 A 58 58 SER CB C 58 64.686 63.150 1.536 1
1 750 . 1 1 1 A 58 58 SER N N 58 115.984 116.692 -0.708 1
1 751 . 1 1 1 A 59 59 LEU H H 59 7.288 7.710 -0.422 1
1 752 . 1 1 1 A 59 59 LEU HA H 59 4.058 4.051 0.007 1
1 762 . 1 1 1 A 59 59 LEU C C 59 175.827 179.258 -3.431 1
1 763 . 1 1 1 A 59 59 LEU CA C 59 57.364 57.974 -0.610 1
1 764 . 1 1 1 A 59 59 LEU CB C 59 42.712 41.888 0.824 1
1 768 . 1 1 1 A 59 59 LEU N N 59 120.622 121.953 -1.331 1
1 769 . 1 1 1 A 60 60 ASP H H 60 7.431 7.757 -0.326 1
1 770 . 1 1 1 A 60 60 ASP HA H 60 4.386 4.573 -0.187 1
1 773 . 1 1 1 A 60 60 ASP C C 60 175.927 178.275 -2.348 1
1 774 . 1 1 1 A 60 60 ASP CA C 60 57.012 56.296 0.716 1
1 775 . 1 1 1 A 60 60 ASP CB C 60 42.351 40.674 1.677 1
1 776 . 1 1 1 A 60 60 ASP N N 60 116.755 117.869 -1.114 1
1 777 . 1 1 1 A 61 61 LYS H H 61 7.243 7.843 -0.600 1
1 778 . 1 1 1 A 61 61 LYS HA H 61 4.223 4.048 0.175 1
1 787 . 1 1 1 A 61 61 LYS C C 61 176.527 177.354 -0.827 1
1 788 . 1 1 1 A 61 61 LYS CA C 61 57.287 58.698 -1.411 1
1 789 . 1 1 1 A 61 61 LYS CB C 61 34.683 32.270 2.413 1
1 793 . 1 1 1 A 61 61 LYS N N 61 119.913 119.918 -0.005 1
1 794 . 1 1 1 A 62 62 ASN H H 62 8.725 7.560 1.165 1
1 795 . 1 1 1 A 62 62 ASN HA H 62 4.462 4.876 -0.414 1
1 800 . 1 1 1 A 62 62 ASN C C 62 175.627 176.141 -0.514 1
1 801 . 1 1 1 A 62 62 ASN CA C 62 55.452 53.286 2.166 1
1 802 . 1 1 1 A 62 62 ASN CB C 62 39.336 40.900 -1.564 1
1 803 . 1 1 1 A 62 62 ASN N N 62 120.247 116.088 4.159 1
1 805 . 1 1 1 A 63 63 SER H H 63 8.061 8.132 -0.071 1
1 806 . 1 1 1 A 63 63 SER HA H 63 3.957 4.458 -0.501 1
1 809 . 1 1 1 A 63 63 SER C C 63 174.827 173.986 0.841 1
1 810 . 1 1 1 A 63 63 SER CA C 63 62.954 60.045 2.909 1
1 811 . 1 1 1 A 63 63 SER CB C 63 65.586 62.929 2.657 1
1 812 . 1 1 1 A 63 63 SER N N 63 113.249 113.909 -0.660 1
1 813 . 1 1 1 A 64 64 ASP H H 64 8.408 8.449 -0.041 1
1 814 . 1 1 1 A 64 64 ASP HA H 64 4.573 4.774 -0.201 1
1 817 . 1 1 1 A 64 64 ASP C C 64 176.027 175.694 0.333 1
1 818 . 1 1 1 A 64 64 ASP CA C 64 55.789 53.919 1.870 1
1 819 . 1 1 1 A 64 64 ASP CB C 64 42.365 41.723 0.642 1
1 820 . 1 1 1 A 64 64 ASP N N 64 117.587 118.203 -0.616 1
1 821 . 1 1 1 A 65 65 GLN H H 65 7.779 7.719 0.060 1
1 822 . 1 1 1 A 65 65 GLN HA H 65 4.026 4.705 -0.679 1
1 829 . 1 1 1 A 65 65 GLN C C 65 176.827 175.775 1.052 1
1 830 . 1 1 1 A 65 65 GLN CA C 65 58.241 54.415 3.826 1
1 831 . 1 1 1 A 65 65 GLN CB C 65 31.309 29.952 1.357 1
1 833 . 1 1 1 A 65 65 GLN N N 65 121.059 118.663 2.396 1
1 835 . 1 1 1 A 66 66 GLU H H 66 8.365 8.665 -0.300 1
1 836 . 1 1 1 A 66 66 GLU HA H 66 4.320 4.916 -0.596 1
1 841 . 1 1 1 A 66 66 GLU C C 66 176.227 176.379 -0.152 1
1 842 . 1 1 1 A 66 66 GLU CA C 66 58.238 56.999 1.239 1
1 843 . 1 1 1 A 66 66 GLU CB C 66 32.567 30.977 1.590 1
1 845 . 1 1 1 A 66 66 GLU N N 66 123.061 120.808 2.253 1
1 846 . 1 1 1 A 67 67 ILE H H 67 9.350 8.699 0.651 1
1 847 . 1 1 1 A 67 67 ILE HA H 67 4.543 4.962 -0.419 1
1 857 . 1 1 1 A 67 67 ILE C C 67 178.127 175.086 3.041 1
1 858 . 1 1 1 A 67 67 ILE CA C 67 61.173 58.972 2.201 1
1 859 . 1 1 1 A 67 67 ILE CB C 67 41.460 42.435 -0.975 1
1 863 . 1 1 1 A 67 67 ILE N N 67 121.809 118.201 3.608 1
1 864 . 1 1 1 A 68 68 ASP H H 68 8.140 8.558 -0.418 1
1 865 . 1 1 1 A 68 68 ASP HA H 68 5.408 5.208 0.200 1
1 868 . 1 1 1 A 68 68 ASP C C 68 176.127 176.543 -0.416 1
1 869 . 1 1 1 A 68 68 ASP CA C 68 53.471 52.355 1.116 1
1 870 . 1 1 1 A 68 68 ASP CB C 68 43.898 41.959 1.939 1
1 871 . 1 1 1 A 68 68 ASP N N 68 122.626 122.827 -0.201 1
1 872 . 1 1 1 A 69 69 PHE H H 69 9.486 9.072 0.414 1
1 873 . 1 1 1 A 69 69 PHE HA H 69 3.397 4.090 -0.693 1
1 880 . 1 1 1 A 69 69 PHE C C 69 174.727 177.774 -3.047 1
1 881 . 1 1 1 A 69 69 PHE CA C 69 63.764 61.377 2.387 1
1 882 . 1 1 1 A 69 69 PHE CB C 69 42.009 39.046 2.963 1
1 883 . 1 1 1 A 69 69 PHE N N 69 118.584 120.459 -1.875 1
1 884 . 1 1 1 A 70 70 LYS H H 70 7.510 8.302 -0.792 1
1 885 . 1 1 1 A 70 70 LYS HA H 70 3.633 4.037 -0.404 1
1 894 . 1 1 1 A 70 70 LYS C C 70 173.627 179.937 -6.310 1
1 895 . 1 1 1 A 70 70 LYS CA C 70 61.940 60.126 1.814 1
1 896 . 1 1 1 A 70 70 LYS CB C 70 33.189 32.468 0.721 1
1 900 . 1 1 1 A 70 70 LYS N N 70 117.327 119.158 -1.831 1
1 901 . 1 1 1 A 71 71 GLU H H 71 8.151 7.892 0.259 1
1 902 . 1 1 1 A 71 71 GLU HA H 71 3.930 4.210 -0.280 1
1 907 . 1 1 1 A 71 71 GLU C C 71 173.127 178.490 -5.363 1
1 908 . 1 1 1 A 71 71 GLU CA C 71 61.000 59.043 1.957 1
1 909 . 1 1 1 A 71 71 GLU CB C 71 31.639 29.710 1.929 1
1 911 . 1 1 1 A 71 71 GLU N N 71 120.925 118.420 2.505 1
1 912 . 1 1 1 A 72 72 TYR H H 72 8.454 7.690 0.764 1
1 913 . 1 1 1 A 72 72 TYR HA H 72 4.047 4.293 -0.246 1
1 920 . 1 1 1 A 72 72 TYR C C 72 177.227 178.002 -0.775 1
1 921 . 1 1 1 A 72 72 TYR CA C 72 62.068 61.078 0.990 1
1 922 . 1 1 1 A 72 72 TYR CB C 72 39.522 38.550 0.972 1
1 923 . 1 1 1 A 72 72 TYR N N 72 123.271 123.494 -0.223 1
1 924 . 1 1 1 A 73 73 SER H H 73 7.990 8.431 -0.441 1
1 925 . 1 1 1 A 73 73 SER HA H 73 3.245 4.006 -0.761 1
1 928 . 1 1 1 A 73 73 SER C C 73 174.327 176.573 -2.246 1
1 929 . 1 1 1 A 73 73 SER CA C 73 62.841 61.333 1.508 1
1 930 . 1 1 1 A 73 73 SER CB C 73 64.317 62.633 1.684 1
1 931 . 1 1 1 A 73 73 SER N N 73 115.432 114.524 0.908 1
1 932 . 1 1 1 A 74 74 VAL H H 74 8.112 8.211 -0.099 1
1 933 . 1 1 1 A 74 74 VAL HA H 74 3.375 3.806 -0.431 1
1 941 . 1 1 1 A 74 74 VAL C C 74 174.427 178.163 -3.736 1
1 942 . 1 1 1 A 74 74 VAL CA C 74 68.677 65.704 2.973 1
1 943 . 1 1 1 A 74 74 VAL CB C 74 33.164 31.592 1.572 1
1 946 . 1 1 1 A 74 74 VAL N N 74 123.807 119.314 4.493 1
1 947 . 1 1 1 A 75 75 PHE H H 75 8.149 8.298 -0.149 1
1 948 . 1 1 1 A 75 75 PHE HA H 75 3.878 4.232 -0.354 1
1 955 . 1 1 1 A 75 75 PHE C C 75 174.627 177.186 -2.559 1
1 956 . 1 1 1 A 75 75 PHE CA C 75 64.444 61.384 3.060 1
1 957 . 1 1 1 A 75 75 PHE CB C 75 40.823 39.031 1.792 1
1 958 . 1 1 1 A 75 75 PHE N N 75 122.351 123.943 -1.592 1
1 959 . 1 1 1 A 76 76 LEU H H 76 8.141 8.463 -0.322 1
1 960 . 1 1 1 A 76 76 LEU HA H 76 3.648 3.790 -0.142 1
1 970 . 1 1 1 A 76 76 LEU C C 76 173.327 179.244 -5.917 1
1 971 . 1 1 1 A 76 76 LEU CA C 76 59.810 58.134 1.676 1
1 972 . 1 1 1 A 76 76 LEU CB C 76 42.994 41.598 1.396 1
1 976 . 1 1 1 A 76 76 LEU N N 76 116.801 119.306 -2.505 1
1 977 . 1 1 1 A 77 77 THR H H 77 8.005 8.307 -0.302 1
1 978 . 1 1 1 A 77 77 THR HA H 77 3.561 3.856 -0.295 1
1 984 . 1 1 1 A 77 77 THR C C 77 176.427 175.616 0.811 1
1 985 . 1 1 1 A 77 77 THR CA C 77 69.876 66.491 3.385 1
1 986 . 1 1 1 A 77 77 THR CB C 77 71.163 68.511 2.652 1
1 988 . 1 1 1 A 77 77 THR N N 77 116.415 116.086 0.329 1
1 989 . 1 1 1 A 78 78 MET H H 78 8.059 8.785 -0.726 1
1 990 . 1 1 1 A 78 78 MET HA H 78 3.771 4.096 -0.325 1
1 995 . 1 1 1 A 78 78 MET C C 78 172.927 178.649 -5.722 1
1 996 . 1 1 1 A 78 78 MET CA C 78 60.751 58.416 2.335 1
1 997 . 1 1 1 A 78 78 MET CB C 78 33.255 32.263 0.992 1
1 999 . 1 1 1 A 78 78 MET N N 78 120.960 119.887 1.073 1
1 1000 . 1 1 1 A 79 79 LEU H H 79 8.007 8.561 -0.554 1
1 1001 . 1 1 1 A 79 79 LEU HA H 79 3.646 4.190 -0.544 1
1 1011 . 1 1 1 A 79 79 LEU C C 79 174.527 178.326 -3.799 1
1 1012 . 1 1 1 A 79 79 LEU CA C 79 59.756 58.012 1.744 1
1 1013 . 1 1 1 A 79 79 LEU CB C 79 42.961 41.751 1.210 1
1 1017 . 1 1 1 A 79 79 LEU N N 79 120.772 120.717 0.055 1
1 1018 . 1 1 1 A 80 80 CYS H H 80 8.268 8.224 0.044 1
1 1019 . 1 1 1 A 80 80 CYS HA H 80 3.344 3.265 0.079 1
1 1022 . 1 1 1 A 80 80 CYS C C 80 176.127 176.913 -0.786 1
1 1023 . 1 1 1 A 80 80 CYS CA C 80 64.083 62.536 1.547 1
1 1024 . 1 1 1 A 80 80 CYS CB C 80 28.199 26.665 1.534 1
1 1025 . 1 1 1 A 80 80 CYS N N 80 118.257 117.980 0.277 1
1 1026 . 1 1 1 A 81 81 MET H H 81 7.600 8.202 -0.602 1
1 1027 . 1 1 1 A 81 81 MET HA H 81 3.242 4.256 -1.014 1
1 1035 . 1 1 1 A 81 81 MET C C 81 176.227 177.247 -1.020 1
1 1036 . 1 1 1 A 81 81 MET CA C 81 60.091 57.162 2.929 1
1 1037 . 1 1 1 A 81 81 MET CB C 81 34.090 31.712 2.378 1
1 1040 . 1 1 1 A 81 81 MET N N 81 114.515 119.123 -4.608 1
1 1041 . 1 1 1 A 82 82 ALA H H 82 7.299 7.421 -0.122 1
1 1042 . 1 1 1 A 82 82 ALA HA H 82 4.121 4.210 -0.089 1
1 1046 . 1 1 1 A 82 82 ALA C C 82 173.827 177.362 -3.535 1
1 1047 . 1 1 1 A 82 82 ALA CA C 82 54.930 53.503 1.427 1
1 1048 . 1 1 1 A 82 82 ALA CB C 82 20.641 19.051 1.590 1
1 1049 . 1 1 1 A 82 82 ALA N N 82 118.977 120.508 -1.531 1
1 1050 . 1 1 1 A 83 83 TYR H H 83 7.623 7.224 0.399 1
1 1051 . 1 1 1 A 83 83 TYR HA H 83 4.771 4.866 -0.095 1
1 1058 . 1 1 1 A 83 83 TYR CA C 83 59.333 57.081 2.252 1
1 1059 . 1 1 1 A 83 83 TYR CB C 83 41.599 39.918 1.681 1
1 1060 . 1 1 1 A 83 83 TYR N N 83 113.311 112.948 0.363 1
1 1061 . 1 1 1 A 84 84 ASN HA H 84 4.534 4.712 -0.178 1
1 1064 . 1 1 1 A 84 84 ASN CA C 84 56.126 53.467 2.659 1
1 1065 . 1 1 1 A 84 84 ASN CB C 84 41.990 38.644 3.346 1
1 1066 . 1 1 1 A 85 85 ASP H H 85 8.681 8.475 0.206 1
1 1067 . 1 1 1 A 85 85 ASP HA H 85 4.086 4.290 -0.204 1
1 1070 . 1 1 1 A 85 85 ASP CA C 85 58.457 55.820 2.637 1
1 1071 . 1 1 1 A 85 85 ASP CB C 85 42.260 39.184 3.076 1
1 1072 . 1 1 1 A 85 85 ASP N N 85 126.079 120.244 5.835 1
1 1073 . 1 1 1 A 86 86 PHE H H 86 8.672 7.319 1.353 1
1 1074 . 1 1 1 A 86 86 PHE HA H 86 3.744 4.206 -0.462 1
1 1081 . 1 1 1 A 86 86 PHE C C 86 176.827 176.696 0.131 1
1 1082 . 1 1 1 A 86 86 PHE CA C 86 62.903 60.429 2.474 1
1 1083 . 1 1 1 A 86 86 PHE CB C 86 41.596 38.117 3.479 1
1 1084 . 1 1 1 A 86 86 PHE N N 86 121.950 117.328 4.622 1
1 1085 . 1 1 1 A 87 87 PHE H H 87 7.225 7.839 -0.614 1
1 1086 . 1 1 1 A 87 87 PHE HA H 87 3.836 4.930 -1.094 1
1 1093 . 1 1 1 A 87 87 PHE C C 87 176.927 175.364 1.563 1
1 1094 . 1 1 1 A 87 87 PHE CA C 87 60.422 57.388 3.034 1
1 1095 . 1 1 1 A 87 87 PHE CB C 87 41.081 39.808 1.273 1
1 1096 . 1 1 1 A 87 87 PHE N N 87 110.928 116.408 -5.480 1
1 1097 . 1 1 1 A 88 88 LEU H H 88 7.130 7.427 -0.297 1
1 1098 . 1 1 1 A 88 88 LEU HA H 88 4.169 4.625 -0.456 1
1 1108 . 1 1 1 A 88 88 LEU C C 88 175.027 176.734 -1.707 1
1 1109 . 1 1 1 A 88 88 LEU CA C 88 56.962 53.740 3.222 1
1 1110 . 1 1 1 A 88 88 LEU CB C 88 44.199 42.645 1.554 1
1 1114 . 1 1 1 A 88 88 LEU N N 88 119.732 120.855 -1.123 1
1 1115 . 1 1 1 A 89 89 GLU H H 89 8.097 8.974 -0.877 1
1 1116 . 1 1 1 A 89 89 GLU HA H 89 4.087 4.728 -0.641 1
1 1121 . 1 1 1 A 89 89 GLU C C 89 176.427 175.601 0.826 1
1 1122 . 1 1 1 A 89 89 GLU CA C 89 58.216 56.369 1.847 1
1 1123 . 1 1 1 A 89 89 GLU CB C 89 32.309 32.163 0.146 1
1 1125 . 1 1 1 A 89 89 GLU N N 89 121.626 118.680 2.946 1
1 1126 . 1 1 1 A 90 90 ASP H H 90 8.243 7.782 0.461 1
1 1127 . 1 1 1 A 90 90 ASP HA H 90 4.425 4.860 -0.435 1
1 1130 . 1 1 1 A 90 90 ASP C C 90 176.527 175.319 1.208 1
1 1131 . 1 1 1 A 90 90 ASP CA C 90 55.815 53.424 2.391 1
1 1132 . 1 1 1 A 90 90 ASP CB C 90 42.874 43.566 -0.692 1
1 1133 . 1 1 1 A 90 90 ASP N N 90 121.280 118.041 3.239 1
1 1134 . 1 1 1 A 91 91 ASN H H 91 8.267 8.782 -0.515 1
1 1135 . 1 1 1 A 91 91 ASN HA H 91 4.563 4.704 -0.141 1
1 1140 . 1 1 1 A 91 91 ASN C C 91 178.127 175.469 2.658 1
1 1141 . 1 1 1 A 91 91 ASN CA C 91 54.928 54.011 0.917 1
1 1142 . 1 1 1 A 91 91 ASN CB C 91 40.529 38.367 2.162 1
1 1143 . 1 1 1 A 91 91 ASN N N 91 119.209 121.341 -2.132 1
1 14 . 2 1 1 A 2 2 GLU H H 2 8.722 9.215 -0.493 1
1 15 . 2 1 1 A 2 2 GLU HA H 2 4.557 3.812 0.745 1
1 20 . 2 1 1 A 2 2 GLU C C 2 175.827 175.131 0.696 1
1 21 . 2 1 1 A 2 2 GLU CA C 2 58.063 57.427 0.636 1
1 22 . 2 1 1 A 2 2 GLU CB C 2 33.147 27.851 5.296 1
1 24 . 2 1 1 A 2 2 GLU N N 2 124.627 117.567 7.060 1
1 25 . 2 1 1 A 3 3 THR H H 3 8.670 7.753 0.917 1
1 26 . 2 1 1 A 3 3 THR HA H 3 4.616 4.837 -0.221 1
1 31 . 2 1 1 A 3 3 THR CA C 3 61.734 58.927 2.807 1
1 32 . 2 1 1 A 3 3 THR CB C 3 70.590 69.527 1.063 1
1 34 . 2 1 1 A 3 3 THR N N 3 116.274 109.544 6.730 1
1 35 . 2 1 1 A 4 4 PRO HA H 4 4.161 4.346 -0.185 1
1 42 . 2 1 1 A 4 4 PRO C C 4 172.227 177.577 -5.350 1
1 43 . 2 1 1 A 4 4 PRO CA C 4 68.211 65.150 3.061 1
1 44 . 2 1 1 A 4 4 PRO CB C 4 33.796 31.950 1.846 1
1 47 . 2 1 1 A 5 5 LEU H H 5 9.207 7.831 1.376 1
1 48 . 2 1 1 A 5 5 LEU HA H 5 4.038 4.079 -0.041 1
1 58 . 2 1 1 A 5 5 LEU C C 5 174.327 178.366 -4.039 1
1 59 . 2 1 1 A 5 5 LEU CA C 5 59.483 57.648 1.835 1
1 60 . 2 1 1 A 5 5 LEU CB C 5 43.877 41.632 2.245 1
1 64 . 2 1 1 A 5 5 LEU N N 5 119.157 117.926 1.231 1
1 65 . 2 1 1 A 6 6 GLU H H 6 7.661 8.475 -0.814 1
1 66 . 2 1 1 A 6 6 GLU HA H 6 3.755 4.099 -0.344 1
1 71 . 2 1 1 A 6 6 GLU C C 6 172.727 178.794 -6.067 1
1 72 . 2 1 1 A 6 6 GLU CA C 6 61.953 59.123 2.830 1
1 73 . 2 1 1 A 6 6 GLU CB C 6 31.354 28.970 2.384 1
1 75 . 2 1 1 A 6 6 GLU N N 6 119.837 117.021 2.816 1
1 76 . 2 1 1 A 7 7 LYS H H 7 8.430 7.916 0.514 1
1 77 . 2 1 1 A 7 7 LYS HA H 7 3.921 4.083 -0.162 1
1 86 . 2 1 1 A 7 7 LYS C C 7 172.927 179.189 -6.262 1
1 87 . 2 1 1 A 7 7 LYS CA C 7 61.312 58.778 2.534 1
1 88 . 2 1 1 A 7 7 LYS CB C 7 33.861 31.727 2.134 1
1 92 . 2 1 1 A 7 7 LYS N N 7 119.023 119.972 -0.949 1
1 93 . 2 1 1 A 8 8 ALA H H 8 8.079 8.297 -0.218 1
1 94 . 2 1 1 A 8 8 ALA HA H 8 4.085 4.101 -0.016 1
1 98 . 2 1 1 A 8 8 ALA C C 8 173.027 180.149 -7.122 1
1 99 . 2 1 1 A 8 8 ALA CA C 8 56.967 55.037 1.930 1
1 100 . 2 1 1 A 8 8 ALA CB C 8 20.140 18.254 1.886 1
1 101 . 2 1 1 A 8 8 ALA N N 8 123.824 122.393 1.431 1
1 102 . 2 1 1 A 9 9 LEU H H 9 8.032 8.295 -0.263 1
1 103 . 2 1 1 A 9 9 LEU HA H 9 4.061 4.055 0.006 1
1 113 . 2 1 1 A 9 9 LEU C C 9 172.527 179.361 -6.834 1
1 114 . 2 1 1 A 9 9 LEU CA C 9 60.071 57.973 2.098 1
1 115 . 2 1 1 A 9 9 LEU CB C 9 42.714 41.427 1.287 1
1 119 . 2 1 1 A 9 9 LEU N N 9 118.643 117.852 0.791 1
1 120 . 2 1 1 A 10 10 THR H H 10 8.686 8.305 0.381 1
1 121 . 2 1 1 A 10 10 THR HA H 10 3.798 3.926 -0.128 1
1 126 . 2 1 1 A 10 10 THR C C 10 175.127 176.436 -1.309 1
1 127 . 2 1 1 A 10 10 THR CA C 10 69.282 66.699 2.583 1
1 128 . 2 1 1 A 10 10 THR CB C 10 70.132 68.456 1.676 1
1 130 . 2 1 1 A 10 10 THR N N 10 117.087 116.012 1.075 1
1 131 . 2 1 1 A 11 11 THR H H 11 8.628 8.279 0.349 1
1 132 . 2 1 1 A 11 11 THR HA H 11 3.961 3.958 0.003 1
1 137 . 2 1 1 A 11 11 THR C C 11 174.427 176.657 -2.230 1
1 138 . 2 1 1 A 11 11 THR CA C 11 68.408 67.118 1.290 1
1 139 . 2 1 1 A 11 11 THR CB C 11 69.107 68.685 0.422 1
1 141 . 2 1 1 A 11 11 THR N N 11 120.770 117.287 3.483 1
1 142 . 2 1 1 A 12 12 MET H H 12 8.390 8.163 0.227 1
1 143 . 2 1 1 A 12 12 MET HA H 12 3.956 4.359 -0.403 1
1 151 . 2 1 1 A 12 12 MET C C 12 175.127 178.571 -3.444 1
1 152 . 2 1 1 A 12 12 MET CA C 12 62.750 58.218 4.532 1
1 153 . 2 1 1 A 12 12 MET CB C 12 34.952 32.961 1.991 1
1 156 . 2 1 1 A 12 12 MET N N 12 124.388 118.904 5.484 1
1 157 . 2 1 1 A 13 13 VAL H H 13 8.104 8.503 -0.399 1
1 158 . 2 1 1 A 13 13 VAL HA H 13 3.576 4.340 -0.764 1
1 166 . 2 1 1 A 13 13 VAL C C 13 175.327 178.286 -2.959 1
1 167 . 2 1 1 A 13 13 VAL CA C 13 68.958 66.053 2.905 1
1 168 . 2 1 1 A 13 13 VAL CB C 13 33.703 31.400 2.303 1
1 171 . 2 1 1 A 13 13 VAL N N 13 121.753 116.962 4.791 1
1 172 . 2 1 1 A 14 14 THR H H 14 9.186 8.194 0.992 1
1 173 . 2 1 1 A 14 14 THR HA H 14 3.774 4.065 -0.291 1
1 178 . 2 1 1 A 14 14 THR C C 14 173.927 176.349 -2.422 1
1 179 . 2 1 1 A 14 14 THR CA C 14 67.955 66.395 1.560 1
1 180 . 2 1 1 A 14 14 THR CB C 14 70.504 68.870 1.634 1
1 182 . 2 1 1 A 14 14 THR N N 14 114.911 117.004 -2.093 1
1 183 . 2 1 1 A 15 15 THR H H 15 8.453 8.231 0.222 1
1 184 . 2 1 1 A 15 15 THR HA H 15 3.859 4.208 -0.349 1
1 190 . 2 1 1 A 15 15 THR C C 15 178.127 176.779 1.348 1
1 191 . 2 1 1 A 15 15 THR CA C 15 69.609 65.732 3.877 1
1 192 . 2 1 1 A 15 15 THR CB C 15 70.511 68.130 2.381 1
1 194 . 2 1 1 A 15 15 THR N N 15 118.791 112.580 6.211 1
1 195 . 2 1 1 A 16 16 PHE H H 16 7.207 8.386 -1.179 1
1 196 . 2 1 1 A 16 16 PHE HA H 16 3.572 3.981 -0.409 1
1 203 . 2 1 1 A 16 16 PHE C C 16 178.527 177.613 0.914 1
1 204 . 2 1 1 A 16 16 PHE CA C 16 64.090 61.467 2.623 1
1 205 . 2 1 1 A 16 16 PHE CB C 16 41.091 39.114 1.977 1
1 206 . 2 1 1 A 16 16 PHE N N 16 121.331 123.299 -1.968 1
1 207 . 2 1 1 A 17 17 HIS H H 17 8.393 8.089 0.304 1
1 208 . 2 1 1 A 17 17 HIS HA H 17 5.329 4.430 0.899 1
1 211 . 2 1 1 A 17 17 HIS C C 17 174.627 177.523 -2.896 1
1 212 . 2 1 1 A 17 17 HIS CA C 17 56.667 59.283 -2.616 1
1 213 . 2 1 1 A 17 17 HIS CB C 17 32.397 29.873 2.524 1
1 214 . 2 1 1 A 17 17 HIS N N 17 117.858 117.038 0.820 1
1 215 . 2 1 1 A 18 18 LYS H H 18 7.767 8.340 -0.573 1
1 216 . 2 1 1 A 18 18 LYS HA H 18 3.553 3.877 -0.324 1
1 225 . 2 1 1 A 18 18 LYS C C 18 175.527 178.128 -2.601 1
1 226 . 2 1 1 A 18 18 LYS CA C 18 61.301 59.168 2.133 1
1 227 . 2 1 1 A 18 18 LYS CB C 18 33.523 32.279 1.244 1
1 231 . 2 1 1 A 18 18 LYS N N 18 120.691 120.862 -0.171 1
1 232 . 2 1 1 A 19 19 TYR H H 19 7.079 7.708 -0.629 1
1 233 . 2 1 1 A 19 19 TYR HA H 19 3.993 4.261 -0.268 1
1 240 . 2 1 1 A 19 19 TYR C C 19 174.227 177.813 -3.586 1
1 241 . 2 1 1 A 19 19 TYR CA C 19 61.287 60.222 1.065 1
1 242 . 2 1 1 A 19 19 TYR CB C 19 42.066 38.923 3.143 1
1 243 . 2 1 1 A 19 19 TYR N N 19 114.592 118.098 -3.506 1
1 244 . 2 1 1 A 20 20 SER H H 20 9.708 7.934 1.774 1
1 245 . 2 1 1 A 20 20 SER HA H 20 4.117 4.031 0.086 1
1 248 . 2 1 1 A 20 20 SER C C 20 175.227 176.833 -1.606 1
1 249 . 2 1 1 A 20 20 SER CA C 20 60.135 60.872 -0.737 1
1 250 . 2 1 1 A 20 20 SER CB C 20 63.159 62.692 0.467 1
1 251 . 2 1 1 A 20 20 SER N N 20 121.764 115.582 6.182 1
1 252 . 2 1 1 A 21 21 GLY H H 21 8.146 7.910 0.236 1
1 253 . 2 1 1 A 21 21 GLY HA2 H 21 3.956 3.842 0.114 1
1 254 . 2 1 1 A 21 21 GLY HA3 H 21 3.571 3.925 -0.354 1
1 255 . 2 1 1 A 21 21 GLY C C 21 177.927 174.721 3.206 1
1 256 . 2 1 1 A 21 21 GLY CA C 21 46.646 46.056 0.590 1
1 257 . 2 1 1 A 21 21 GLY N N 21 106.982 106.966 0.016 1
1 258 . 2 1 1 A 22 22 ARG H H 22 7.007 8.242 -1.235 1
1 259 . 2 1 1 A 22 22 ARG HA H 22 3.815 4.467 -0.652 1
1 266 . 2 1 1 A 22 22 ARG C C 22 175.927 175.781 0.146 1
1 267 . 2 1 1 A 22 22 ARG CA C 22 60.766 55.784 4.982 1
1 268 . 2 1 1 A 22 22 ARG CB C 22 32.302 31.716 0.586 1
1 271 . 2 1 1 A 22 22 ARG N N 22 118.055 117.365 0.690 1
1 272 . 2 1 1 A 23 23 GLU H H 23 7.551 7.675 -0.124 1
1 273 . 2 1 1 A 23 23 GLU HA H 23 4.436 4.683 -0.247 1
1 278 . 2 1 1 A 23 23 GLU C C 23 177.727 177.330 0.397 1
1 279 . 2 1 1 A 23 23 GLU CA C 23 56.853 54.810 2.043 1
1 280 . 2 1 1 A 23 23 GLU CB C 23 33.988 31.266 2.722 1
1 282 . 2 1 1 A 23 23 GLU N N 23 114.631 118.649 -4.018 1
1 283 . 2 1 1 A 24 24 GLY H H 24 8.376 8.467 -0.091 1
1 284 . 2 1 1 A 24 24 GLY HA2 H 24 3.771 3.946 -0.175 1
1 285 . 2 1 1 A 24 24 GLY HA3 H 24 3.567 3.988 -0.421 1
1 286 . 2 1 1 A 24 24 GLY C C 24 177.127 174.233 2.894 1
1 287 . 2 1 1 A 24 24 GLY CA C 24 47.718 46.233 1.485 1
1 288 . 2 1 1 A 24 24 GLY N N 24 107.626 110.630 -3.004 1
1 289 . 2 1 1 A 25 25 SER H H 25 8.443 7.614 0.829 1
1 290 . 2 1 1 A 25 25 SER HA H 25 4.314 4.591 -0.277 1
1 293 . 2 1 1 A 25 25 SER C C 25 175.527 173.477 2.050 1
1 294 . 2 1 1 A 25 25 SER CA C 25 59.146 57.200 1.946 1
1 295 . 2 1 1 A 25 25 SER CB C 25 65.573 65.069 0.504 1
1 296 . 2 1 1 A 25 25 SER N N 25 119.000 113.011 5.989 1
1 297 . 2 1 1 A 26 26 LYS H H 26 8.821 8.839 -0.018 1
1 298 . 2 1 1 A 26 26 LYS HA H 26 4.307 4.075 0.232 1
1 307 . 2 1 1 A 26 26 LYS C C 26 176.027 176.252 -0.225 1
1 308 . 2 1 1 A 26 26 LYS CA C 26 59.180 58.062 1.118 1
1 309 . 2 1 1 A 26 26 LYS CB C 26 33.211 31.657 1.554 1
1 313 . 2 1 1 A 26 26 LYS N N 26 126.125 123.951 2.174 1
1 314 . 2 1 1 A 27 27 LEU H H 27 8.237 7.710 0.527 1
1 315 . 2 1 1 A 27 27 LEU HA H 27 4.534 4.876 -0.342 1
1 325 . 2 1 1 A 27 27 LEU C C 27 175.627 176.395 -0.768 1
1 326 . 2 1 1 A 27 27 LEU CA C 27 56.384 54.512 1.872 1
1 327 . 2 1 1 A 27 27 LEU CB C 27 44.218 44.009 0.209 1
1 331 . 2 1 1 A 27 27 LEU N N 27 117.484 118.206 -0.722 1
1 332 . 2 1 1 A 28 28 THR H H 28 7.386 7.898 -0.512 1
1 333 . 2 1 1 A 28 28 THR HA H 28 5.517 5.646 -0.129 1
1 338 . 2 1 1 A 28 28 THR C C 28 180.227 172.705 7.522 1
1 339 . 2 1 1 A 28 28 THR CA C 28 61.014 60.088 0.926 1
1 340 . 2 1 1 A 28 28 THR CB C 28 75.348 72.879 2.469 1
1 342 . 2 1 1 A 28 28 THR N N 28 106.230 110.653 -4.423 1
1 343 . 2 1 1 A 29 29 LEU H H 29 8.721 8.381 0.340 1
1 344 . 2 1 1 A 29 29 LEU HA H 29 4.713 4.764 -0.051 1
1 354 . 2 1 1 A 29 29 LEU C C 29 176.927 175.410 1.517 1
1 355 . 2 1 1 A 29 29 LEU CA C 29 55.163 53.778 1.385 1
1 356 . 2 1 1 A 29 29 LEU CB C 29 46.059 44.157 1.902 1
1 360 . 2 1 1 A 29 29 LEU N N 29 116.728 117.607 -0.879 1
1 361 . 2 1 1 A 30 30 SER H H 30 8.866 9.161 -0.295 1
1 362 . 2 1 1 A 30 30 SER HA H 30 4.942 4.941 0.001 1
1 365 . 2 1 1 A 30 30 SER C C 30 176.327 176.067 0.260 1
1 366 . 2 1 1 A 30 30 SER CA C 30 59.032 57.239 1.793 1
1 367 . 2 1 1 A 30 30 SER CB C 30 67.150 64.821 2.329 1
1 368 . 2 1 1 A 30 30 SER N N 30 117.110 115.211 1.899 1
1 369 . 2 1 1 A 31 31 ARG H H 31 8.393 8.944 -0.551 1
1 370 . 2 1 1 A 31 31 ARG HA H 31 3.695 4.111 -0.416 1
1 377 . 2 1 1 A 31 31 ARG C C 31 174.127 178.231 -4.104 1
1 378 . 2 1 1 A 31 31 ARG CA C 31 62.776 58.309 4.467 1
1 379 . 2 1 1 A 31 31 ARG CB C 31 31.601 29.919 1.682 1
1 382 . 2 1 1 A 31 31 ARG N N 31 121.109 121.275 -0.166 1
1 383 . 2 1 1 A 32 32 LYS H H 32 8.264 7.891 0.373 1
1 384 . 2 1 1 A 32 32 LYS HA H 32 3.912 4.035 -0.123 1
1 393 . 2 1 1 A 32 32 LYS C C 32 172.827 178.463 -5.636 1
1 394 . 2 1 1 A 32 32 LYS CA C 32 61.591 59.425 2.166 1
1 395 . 2 1 1 A 32 32 LYS CB C 32 34.116 32.366 1.750 1
1 399 . 2 1 1 A 32 32 LYS N N 32 118.536 119.576 -1.040 1
1 400 . 2 1 1 A 33 33 GLU H H 33 7.790 8.057 -0.267 1
1 401 . 2 1 1 A 33 33 GLU HA H 33 4.049 4.153 -0.104 1
1 406 . 2 1 1 A 33 33 GLU C C 33 174.327 178.512 -4.185 1
1 407 . 2 1 1 A 33 33 GLU CA C 33 60.634 59.006 1.628 1
1 408 . 2 1 1 A 33 33 GLU CB C 33 31.617 29.316 2.301 1
1 410 . 2 1 1 A 33 33 GLU N N 33 121.557 119.628 1.929 1
1 411 . 2 1 1 A 34 34 LEU H H 34 8.388 7.856 0.532 1
1 412 . 2 1 1 A 34 34 LEU HA H 34 3.844 3.805 0.039 1
1 422 . 2 1 1 A 34 34 LEU C C 34 174.927 178.183 -3.256 1
1 423 . 2 1 1 A 34 34 LEU CA C 34 59.173 57.236 1.937 1
1 424 . 2 1 1 A 34 34 LEU CB C 34 42.053 41.669 0.384 1
1 428 . 2 1 1 A 34 34 LEU N N 34 120.999 121.313 -0.314 1
1 429 . 2 1 1 A 35 35 LYS H H 35 7.817 7.941 -0.124 1
1 430 . 2 1 1 A 35 35 LYS HA H 35 3.478 3.882 -0.404 1
1 439 . 2 1 1 A 35 35 LYS C C 35 174.627 178.582 -3.955 1
1 440 . 2 1 1 A 35 35 LYS CA C 35 62.312 58.901 3.411 1
1 441 . 2 1 1 A 35 35 LYS CB C 35 33.814 31.905 1.909 1
1 445 . 2 1 1 A 35 35 LYS N N 35 118.738 117.928 0.810 1
1 446 . 2 1 1 A 36 36 GLU H H 36 7.208 7.893 -0.685 1
1 447 . 2 1 1 A 36 36 GLU HA H 36 3.801 4.034 -0.233 1
1 452 . 2 1 1 A 36 36 GLU C C 36 175.227 178.105 -2.878 1
1 453 . 2 1 1 A 36 36 GLU CA C 36 61.015 59.032 1.983 1
1 454 . 2 1 1 A 36 36 GLU CB C 36 30.770 29.624 1.146 1
1 456 . 2 1 1 A 36 36 GLU N N 36 118.771 119.473 -0.702 1
1 457 . 2 1 1 A 37 37 LEU H H 37 8.038 7.616 0.422 1
1 458 . 2 1 1 A 37 37 LEU HA H 37 3.178 2.657 0.521 1
1 468 . 2 1 1 A 37 37 LEU C C 37 172.927 177.868 -4.941 1
1 469 . 2 1 1 A 37 37 LEU CA C 37 60.915 57.829 3.086 1
1 470 . 2 1 1 A 37 37 LEU CB C 37 43.352 40.868 2.484 1
1 474 . 2 1 1 A 37 37 LEU N N 37 121.767 120.096 1.671 1
1 475 . 2 1 1 A 38 38 ILE H H 38 8.224 7.699 0.525 1
1 476 . 2 1 1 A 38 38 ILE HA H 38 3.234 3.517 -0.283 1
1 486 . 2 1 1 A 38 38 ILE C C 38 174.727 178.435 -3.708 1
1 487 . 2 1 1 A 38 38 ILE CA C 38 66.464 65.110 1.354 1
1 488 . 2 1 1 A 38 38 ILE CB C 38 38.799 37.396 1.403 1
1 492 . 2 1 1 A 38 38 ILE N N 38 119.417 119.392 0.025 1
1 493 . 2 1 1 A 39 39 LYS H H 39 7.700 7.561 0.139 1
1 494 . 2 1 1 A 39 39 LYS HA H 39 3.894 4.073 -0.179 1
1 503 . 2 1 1 A 39 39 LYS C C 39 173.727 179.561 -5.834 1
1 504 . 2 1 1 A 39 39 LYS CA C 39 61.015 59.331 1.684 1
1 505 . 2 1 1 A 39 39 LYS CB C 39 34.100 32.117 1.983 1
1 509 . 2 1 1 A 39 39 LYS N N 39 117.277 120.319 -3.042 1
1 510 . 2 1 1 A 40 40 LYS H H 40 8.170 7.864 0.306 1
1 511 . 2 1 1 A 40 40 LYS HA H 40 4.226 4.107 0.119 1
1 520 . 2 1 1 A 40 40 LYS C C 40 173.427 179.690 -6.263 1
1 521 . 2 1 1 A 40 40 LYS CA C 40 59.251 59.739 -0.488 1
1 522 . 2 1 1 A 40 40 LYS CB C 40 35.528 32.353 3.175 1
1 526 . 2 1 1 A 40 40 LYS N N 40 115.146 119.352 -4.206 1
1 527 . 2 1 1 A 41 41 GLU H H 41 8.778 8.333 0.445 1
1 528 . 2 1 1 A 41 41 GLU HA H 41 4.629 4.195 0.434 1
1 533 . 2 1 1 A 41 41 GLU C C 41 175.527 176.607 -1.080 1
1 534 . 2 1 1 A 41 41 GLU CA C 41 57.177 59.362 -2.185 1
1 535 . 2 1 1 A 41 41 GLU CB C 41 31.656 29.997 1.659 1
1 537 . 2 1 1 A 41 41 GLU N N 41 113.604 119.300 -5.696 1
1 538 . 2 1 1 A 42 42 LEU H H 42 7.610 7.570 0.040 1
1 539 . 2 1 1 A 42 42 LEU HA H 42 4.475 4.696 -0.221 1
1 549 . 2 1 1 A 42 42 LEU C C 42 177.227 175.266 1.961 1
1 550 . 2 1 1 A 42 42 LEU CA C 42 56.047 54.375 1.672 1
1 551 . 2 1 1 A 42 42 LEU CB C 42 45.748 45.792 -0.044 1
1 555 . 2 1 1 A 42 42 LEU N N 42 118.997 119.238 -0.241 1
1 556 . 2 1 1 A 43 43 CYS H H 43 8.501 9.014 -0.513 1
1 557 . 2 1 1 A 43 43 CYS HA H 43 4.397 4.555 -0.158 1
1 560 . 2 1 1 A 43 43 CYS C C 43 177.327 174.676 2.651 1
1 561 . 2 1 1 A 43 43 CYS CA C 43 60.023 58.482 1.541 1
1 562 . 2 1 1 A 43 43 CYS CB C 43 27.915 25.799 2.116 1
1 563 . 2 1 1 A 43 43 CYS N N 43 119.622 125.264 -5.642 1
1 564 . 2 1 1 A 44 44 LEU H H 44 8.200 8.036 0.164 1
1 565 . 2 1 1 A 44 44 LEU HA H 44 3.979 3.924 0.055 1
1 575 . 2 1 1 A 44 44 LEU C C 44 173.927 179.374 -5.447 1
1 576 . 2 1 1 A 44 44 LEU CA C 44 57.244 58.407 -1.163 1
1 577 . 2 1 1 A 44 44 LEU CB C 44 43.622 41.974 1.648 1
1 581 . 2 1 1 A 44 44 LEU N N 44 121.955 123.962 -2.007 1
1 582 . 2 1 1 A 45 45 GLY H H 45 8.244 8.222 0.022 1
1 583 . 2 1 1 A 45 45 GLY HA2 H 45 3.849 3.891 -0.042 1
1 584 . 2 1 1 A 45 45 GLY HA3 H 45 3.789 3.929 -0.140 1
1 585 . 2 1 1 A 45 45 GLY C C 45 178.027 174.436 3.591 1
1 586 . 2 1 1 A 45 45 GLY CA C 45 47.023 46.583 0.440 1
1 587 . 2 1 1 A 45 45 GLY N N 45 107.702 105.946 1.756 1
1 588 . 2 1 1 A 46 46 GLU H H 46 8.286 8.089 0.197 1
1 589 . 2 1 1 A 46 46 GLU HA H 46 4.039 4.182 -0.143 1
1 594 . 2 1 1 A 46 46 GLU C C 46 175.127 175.244 -0.117 1
1 595 . 2 1 1 A 46 46 GLU CA C 46 59.176 56.139 3.037 1
1 596 . 2 1 1 A 46 46 GLU CB C 46 31.361 28.874 2.487 1
1 598 . 2 1 1 A 46 46 GLU N N 46 119.602 115.927 3.675 1
1 599 . 2 1 1 A 47 47 MET H H 47 8.048 7.813 0.235 1
1 600 . 2 1 1 A 47 47 MET HA H 47 4.229 4.511 -0.282 1
1 608 . 2 1 1 A 47 47 MET C C 47 175.727 175.180 0.547 1
1 609 . 2 1 1 A 47 47 MET CA C 47 58.183 55.685 2.498 1
1 610 . 2 1 1 A 47 47 MET CB C 47 34.087 35.142 -1.055 1
1 613 . 2 1 1 A 47 47 MET N N 47 119.617 117.070 2.547 1
1 614 . 2 1 1 A 48 48 LYS H H 48 8.221 7.944 0.277 1
1 615 . 2 1 1 A 48 48 LYS HA H 48 4.217 4.656 -0.439 1
1 624 . 2 1 1 A 48 48 LYS C C 48 174.927 175.777 -0.850 1
1 625 . 2 1 1 A 48 48 LYS CA C 48 58.304 54.879 3.425 1
1 626 . 2 1 1 A 48 48 LYS CB C 48 34.548 35.696 -1.148 1
1 630 . 2 1 1 A 48 48 LYS N N 48 120.987 117.684 3.303 1
1 631 . 2 1 1 A 49 49 GLU H H 49 8.346 8.320 0.026 1
1 632 . 2 1 1 A 49 49 GLU HA H 49 3.922 4.464 -0.542 1
1 637 . 2 1 1 A 49 49 GLU C C 49 174.427 177.997 -3.570 1
1 638 . 2 1 1 A 49 49 GLU CA C 49 60.298 57.195 3.103 1
1 639 . 2 1 1 A 49 49 GLU CB C 49 31.065 30.357 0.708 1
1 641 . 2 1 1 A 49 49 GLU N N 49 121.867 122.738 -0.871 1
1 642 . 2 1 1 A 50 50 SER H H 50 8.348 8.660 -0.312 1
1 643 . 2 1 1 A 50 50 SER HA H 50 4.172 4.241 -0.069 1
1 647 . 2 1 1 A 50 50 SER C C 50 176.027 176.307 -0.280 1
1 648 . 2 1 1 A 50 50 SER CA C 50 62.548 61.377 1.171 1
1 649 . 2 1 1 A 50 50 SER CB C 50 64.840 62.926 1.914 1
1 650 . 2 1 1 A 50 50 SER N N 50 115.695 116.704 -1.009 1
1 651 . 2 1 1 A 51 51 SER H H 51 7.980 8.394 -0.414 1
1 652 . 2 1 1 A 51 51 SER HA H 51 4.258 4.372 -0.114 1
1 655 . 2 1 1 A 51 51 SER C C 51 174.427 176.183 -1.756 1
1 656 . 2 1 1 A 51 51 SER CA C 51 62.828 60.463 2.365 1
1 657 . 2 1 1 A 51 51 SER CB C 51 64.749 63.258 1.491 1
1 658 . 2 1 1 A 51 51 SER N N 51 117.126 115.088 2.038 1
1 659 . 2 1 1 A 52 52 ILE H H 52 7.365 7.773 -0.408 1
1 660 . 2 1 1 A 52 52 ILE HA H 52 4.038 3.864 0.174 1
1 670 . 2 1 1 A 52 52 ILE C C 52 175.627 177.646 -2.019 1
1 671 . 2 1 1 A 52 52 ILE CA C 52 64.609 64.313 0.296 1
1 672 . 2 1 1 A 52 52 ILE CB C 52 39.272 37.512 1.760 1
1 676 . 2 1 1 A 52 52 ILE N N 52 117.484 119.844 -2.360 1
1 677 . 2 1 1 A 53 53 ASP H H 53 7.681 7.718 -0.037 1
1 678 . 2 1 1 A 53 53 ASP HA H 53 4.214 4.323 -0.109 1
1 681 . 2 1 1 A 53 53 ASP C C 53 174.027 177.953 -3.926 1
1 682 . 2 1 1 A 53 53 ASP CA C 53 59.799 57.412 2.387 1
1 683 . 2 1 1 A 53 53 ASP CB C 53 42.927 40.903 2.024 1
1 684 . 2 1 1 A 53 53 ASP N N 53 121.969 121.460 0.509 1
1 685 . 2 1 1 A 54 54 ASP H H 54 8.227 7.642 0.585 1
1 686 . 2 1 1 A 54 54 ASP HA H 54 4.231 4.297 -0.066 1
1 689 . 2 1 1 A 54 54 ASP C C 54 172.927 178.961 -6.034 1
1 690 . 2 1 1 A 54 54 ASP CA C 54 59.507 57.851 1.656 1
1 691 . 2 1 1 A 54 54 ASP CB C 54 41.818 41.774 0.044 1
1 692 . 2 1 1 A 54 54 ASP N N 54 118.083 119.849 -1.766 1
1 693 . 2 1 1 A 55 55 LEU H H 55 7.650 8.120 -0.470 1
1 694 . 2 1 1 A 55 55 LEU HA H 55 4.016 4.075 -0.059 1
1 704 . 2 1 1 A 55 55 LEU C C 55 171.927 179.335 -7.408 1
1 705 . 2 1 1 A 55 55 LEU CA C 55 59.965 57.907 2.058 1
1 706 . 2 1 1 A 55 55 LEU CB C 55 43.370 41.259 2.111 1
1 710 . 2 1 1 A 55 55 LEU N N 55 121.634 121.151 0.483 1
1 711 . 2 1 1 A 56 56 MET H H 56 8.429 8.262 0.167 1
1 712 . 2 1 1 A 56 56 MET HA H 56 4.325 4.122 0.203 1
1 720 . 2 1 1 A 56 56 MET C C 56 172.527 178.871 -6.344 1
1 721 . 2 1 1 A 56 56 MET CA C 56 59.221 59.011 0.210 1
1 722 . 2 1 1 A 56 56 MET CB C 56 34.106 32.224 1.882 1
1 725 . 2 1 1 A 56 56 MET N N 56 118.696 117.494 1.202 1
1 726 . 2 1 1 A 57 57 LYS H H 57 8.249 7.450 0.799 1
1 727 . 2 1 1 A 57 57 LYS HA H 57 3.996 4.224 -0.228 1
1 736 . 2 1 1 A 57 57 LYS C C 57 172.527 179.073 -6.546 1
1 737 . 2 1 1 A 57 57 LYS CA C 57 60.872 58.688 2.184 1
1 738 . 2 1 1 A 57 57 LYS CB C 57 33.853 32.554 1.299 1
1 742 . 2 1 1 A 57 57 LYS N N 57 119.855 119.123 0.732 1
1 743 . 2 1 1 A 58 58 SER H H 58 7.729 8.409 -0.680 1
1 744 . 2 1 1 A 58 58 SER HA H 58 4.125 4.386 -0.261 1
1 747 . 2 1 1 A 58 58 SER C C 58 176.527 176.634 -0.107 1
1 748 . 2 1 1 A 58 58 SER CA C 58 63.029 61.853 1.176 1
1 749 . 2 1 1 A 58 58 SER CB C 58 64.686 63.232 1.454 1
1 750 . 2 1 1 A 58 58 SER N N 58 115.984 116.901 -0.917 1
1 751 . 2 1 1 A 59 59 LEU H H 59 7.288 8.214 -0.926 1
1 752 . 2 1 1 A 59 59 LEU HA H 59 4.058 4.058 0.000 1
1 762 . 2 1 1 A 59 59 LEU C C 59 175.827 178.757 -2.930 1
1 763 . 2 1 1 A 59 59 LEU CA C 59 57.364 57.896 -0.532 1
1 764 . 2 1 1 A 59 59 LEU CB C 59 42.712 41.388 1.324 1
1 768 . 2 1 1 A 59 59 LEU N N 59 120.622 121.797 -1.175 1
1 769 . 2 1 1 A 60 60 ASP H H 60 7.431 8.224 -0.793 1
1 770 . 2 1 1 A 60 60 ASP HA H 60 4.386 4.426 -0.040 1
1 773 . 2 1 1 A 60 60 ASP C C 60 175.927 178.692 -2.765 1
1 774 . 2 1 1 A 60 60 ASP CA C 60 57.012 56.385 0.627 1
1 775 . 2 1 1 A 60 60 ASP CB C 60 42.351 40.300 2.051 1
1 776 . 2 1 1 A 60 60 ASP N N 60 116.755 119.859 -3.104 1
1 777 . 2 1 1 A 61 61 LYS H H 61 7.243 7.465 -0.222 1
1 778 . 2 1 1 A 61 61 LYS HA H 61 4.223 4.142 0.081 1
1 787 . 2 1 1 A 61 61 LYS C C 61 176.527 176.863 -0.336 1
1 788 . 2 1 1 A 61 61 LYS CA C 61 57.287 58.679 -1.392 1
1 789 . 2 1 1 A 61 61 LYS CB C 61 34.683 32.356 2.327 1
1 793 . 2 1 1 A 61 61 LYS N N 61 119.913 118.239 1.674 1
1 794 . 2 1 1 A 62 62 ASN H H 62 8.725 7.568 1.157 1
1 795 . 2 1 1 A 62 62 ASN HA H 62 4.462 5.053 -0.591 1
1 800 . 2 1 1 A 62 62 ASN C C 62 175.627 175.272 0.355 1
1 801 . 2 1 1 A 62 62 ASN CA C 62 55.452 52.253 3.199 1
1 802 . 2 1 1 A 62 62 ASN CB C 62 39.336 39.476 -0.140 1
1 803 . 2 1 1 A 62 62 ASN N N 62 120.247 115.832 4.415 1
1 805 . 2 1 1 A 63 63 SER H H 63 8.061 7.845 0.216 1
1 806 . 2 1 1 A 63 63 SER HA H 63 3.957 4.375 -0.418 1
1 809 . 2 1 1 A 63 63 SER C C 63 174.827 174.830 -0.003 1
1 810 . 2 1 1 A 63 63 SER CA C 63 62.954 61.229 1.725 1
1 811 . 2 1 1 A 63 63 SER CB C 63 65.586 62.727 2.859 1
1 812 . 2 1 1 A 63 63 SER N N 63 113.249 114.169 -0.920 1
1 813 . 2 1 1 A 64 64 ASP H H 64 8.408 7.876 0.532 1
1 814 . 2 1 1 A 64 64 ASP HA H 64 4.573 4.765 -0.192 1
1 817 . 2 1 1 A 64 64 ASP C C 64 176.027 174.526 1.501 1
1 818 . 2 1 1 A 64 64 ASP CA C 64 55.789 53.803 1.986 1
1 819 . 2 1 1 A 64 64 ASP CB C 64 42.365 41.435 0.930 1
1 820 . 2 1 1 A 64 64 ASP N N 64 117.587 119.050 -1.463 1
1 821 . 2 1 1 A 65 65 GLN H H 65 7.779 7.778 0.001 1
1 822 . 2 1 1 A 65 65 GLN HA H 65 4.026 4.872 -0.846 1
1 829 . 2 1 1 A 65 65 GLN C C 65 176.827 174.766 2.061 1
1 830 . 2 1 1 A 65 65 GLN CA C 65 58.241 54.445 3.796 1
1 831 . 2 1 1 A 65 65 GLN CB C 65 31.309 32.856 -1.547 1
1 833 . 2 1 1 A 65 65 GLN N N 65 121.059 116.019 5.040 1
1 835 . 2 1 1 A 66 66 GLU H H 66 8.365 8.641 -0.276 1
1 836 . 2 1 1 A 66 66 GLU HA H 66 4.320 4.965 -0.645 1
1 841 . 2 1 1 A 66 66 GLU C C 66 176.227 176.508 -0.281 1
1 842 . 2 1 1 A 66 66 GLU CA C 66 58.238 55.925 2.313 1
1 843 . 2 1 1 A 66 66 GLU CB C 66 32.567 31.496 1.071 1
1 845 . 2 1 1 A 66 66 GLU N N 66 123.061 120.694 2.367 1
1 846 . 2 1 1 A 67 67 ILE H H 67 9.350 9.166 0.184 1
1 847 . 2 1 1 A 67 67 ILE HA H 67 4.543 5.083 -0.540 1
1 857 . 2 1 1 A 67 67 ILE C C 67 178.127 175.348 2.779 1
1 858 . 2 1 1 A 67 67 ILE CA C 67 61.173 58.953 2.220 1
1 859 . 2 1 1 A 67 67 ILE CB C 67 41.460 41.560 -0.100 1
1 863 . 2 1 1 A 67 67 ILE N N 67 121.809 118.903 2.906 1
1 864 . 2 1 1 A 68 68 ASP H H 68 8.140 8.718 -0.578 1
1 865 . 2 1 1 A 68 68 ASP HA H 68 5.408 5.096 0.312 1
1 868 . 2 1 1 A 68 68 ASP C C 68 176.127 176.526 -0.399 1
1 869 . 2 1 1 A 68 68 ASP CA C 68 53.471 52.679 0.792 1
1 870 . 2 1 1 A 68 68 ASP CB C 68 43.898 41.206 2.692 1
1 871 . 2 1 1 A 68 68 ASP N N 68 122.626 123.138 -0.512 1
1 872 . 2 1 1 A 69 69 PHE H H 69 9.486 9.070 0.416 1
1 873 . 2 1 1 A 69 69 PHE HA H 69 3.397 4.154 -0.757 1
1 880 . 2 1 1 A 69 69 PHE C C 69 174.727 177.681 -2.954 1
1 881 . 2 1 1 A 69 69 PHE CA C 69 63.764 60.804 2.960 1
1 882 . 2 1 1 A 69 69 PHE CB C 69 42.009 39.281 2.728 1
1 883 . 2 1 1 A 69 69 PHE N N 69 118.584 120.005 -1.421 1
1 884 . 2 1 1 A 70 70 LYS H H 70 7.510 8.593 -1.083 1
1 885 . 2 1 1 A 70 70 LYS HA H 70 3.633 4.235 -0.602 1
1 894 . 2 1 1 A 70 70 LYS C C 70 173.627 179.723 -6.096 1
1 895 . 2 1 1 A 70 70 LYS CA C 70 61.940 59.728 2.212 1
1 896 . 2 1 1 A 70 70 LYS CB C 70 33.189 32.441 0.748 1
1 900 . 2 1 1 A 70 70 LYS N N 70 117.327 119.811 -2.484 1
1 901 . 2 1 1 A 71 71 GLU H H 71 8.151 8.403 -0.252 1
1 902 . 2 1 1 A 71 71 GLU HA H 71 3.930 4.163 -0.233 1
1 907 . 2 1 1 A 71 71 GLU C C 71 173.127 178.679 -5.552 1
1 908 . 2 1 1 A 71 71 GLU CA C 71 61.000 59.175 1.825 1
1 909 . 2 1 1 A 71 71 GLU CB C 71 31.639 29.789 1.850 1
1 911 . 2 1 1 A 71 71 GLU N N 71 120.925 119.242 1.683 1
1 912 . 2 1 1 A 72 72 TYR H H 72 8.454 8.437 0.017 1
1 913 . 2 1 1 A 72 72 TYR HA H 72 4.047 4.138 -0.091 1
1 920 . 2 1 1 A 72 72 TYR C C 72 177.227 177.627 -0.400 1
1 921 . 2 1 1 A 72 72 TYR CA C 72 62.068 61.075 0.993 1
1 922 . 2 1 1 A 72 72 TYR CB C 72 39.522 38.847 0.675 1
1 923 . 2 1 1 A 72 72 TYR N N 72 123.271 123.727 -0.456 1
1 924 . 2 1 1 A 73 73 SER H H 73 7.990 8.429 -0.439 1
1 925 . 2 1 1 A 73 73 SER HA H 73 3.245 3.847 -0.602 1
1 928 . 2 1 1 A 73 73 SER C C 73 174.327 176.637 -2.310 1
1 929 . 2 1 1 A 73 73 SER CA C 73 62.841 61.297 1.544 1
1 930 . 2 1 1 A 73 73 SER CB C 73 64.317 62.579 1.738 1
1 931 . 2 1 1 A 73 73 SER N N 73 115.432 114.054 1.378 1
1 932 . 2 1 1 A 74 74 VAL H H 74 8.112 8.177 -0.065 1
1 933 . 2 1 1 A 74 74 VAL HA H 74 3.375 3.803 -0.428 1
1 941 . 2 1 1 A 74 74 VAL C C 74 174.427 178.074 -3.647 1
1 942 . 2 1 1 A 74 74 VAL CA C 74 68.677 65.591 3.086 1
1 943 . 2 1 1 A 74 74 VAL CB C 74 33.164 31.489 1.675 1
1 946 . 2 1 1 A 74 74 VAL N N 74 123.807 119.109 4.698 1
1 947 . 2 1 1 A 75 75 PHE H H 75 8.149 7.891 0.258 1
1 948 . 2 1 1 A 75 75 PHE HA H 75 3.878 4.219 -0.341 1
1 955 . 2 1 1 A 75 75 PHE C C 75 174.627 177.040 -2.413 1
1 956 . 2 1 1 A 75 75 PHE CA C 75 64.444 61.530 2.914 1
1 957 . 2 1 1 A 75 75 PHE CB C 75 40.823 38.920 1.903 1
1 958 . 2 1 1 A 75 75 PHE N N 75 122.351 123.981 -1.630 1
1 959 . 2 1 1 A 76 76 LEU H H 76 8.141 8.157 -0.016 1
1 960 . 2 1 1 A 76 76 LEU HA H 76 3.648 3.896 -0.248 1
1 970 . 2 1 1 A 76 76 LEU C C 76 173.327 179.048 -5.721 1
1 971 . 2 1 1 A 76 76 LEU CA C 76 59.810 58.125 1.685 1
1 972 . 2 1 1 A 76 76 LEU CB C 76 42.994 41.577 1.417 1
1 976 . 2 1 1 A 76 76 LEU N N 76 116.801 119.802 -3.001 1
1 977 . 2 1 1 A 77 77 THR H H 77 8.005 7.830 0.175 1
1 978 . 2 1 1 A 77 77 THR HA H 77 3.561 3.787 -0.226 1
1 984 . 2 1 1 A 77 77 THR C C 77 176.427 175.849 0.578 1
1 985 . 2 1 1 A 77 77 THR CA C 77 69.876 66.139 3.737 1
1 986 . 2 1 1 A 77 77 THR CB C 77 71.163 68.610 2.553 1
1 988 . 2 1 1 A 77 77 THR N N 77 116.415 114.970 1.445 1
1 989 . 2 1 1 A 78 78 MET H H 78 8.059 8.647 -0.588 1
1 990 . 2 1 1 A 78 78 MET HA H 78 3.771 4.017 -0.246 1
1 995 . 2 1 1 A 78 78 MET C C 78 172.927 178.311 -5.384 1
1 996 . 2 1 1 A 78 78 MET CA C 78 60.751 58.280 2.471 1
1 997 . 2 1 1 A 78 78 MET CB C 78 33.255 31.897 1.358 1
1 999 . 2 1 1 A 78 78 MET N N 78 120.960 119.962 0.998 1
1 1000 . 2 1 1 A 79 79 LEU H H 79 8.007 8.256 -0.249 1
1 1001 . 2 1 1 A 79 79 LEU HA H 79 3.646 3.972 -0.326 1
1 1011 . 2 1 1 A 79 79 LEU C C 79 174.527 178.531 -4.004 1
1 1012 . 2 1 1 A 79 79 LEU CA C 79 59.756 57.768 1.988 1
1 1013 . 2 1 1 A 79 79 LEU CB C 79 42.961 41.316 1.645 1
1 1017 . 2 1 1 A 79 79 LEU N N 79 120.772 120.857 -0.085 1
1 1018 . 2 1 1 A 80 80 CYS H H 80 8.268 7.951 0.317 1
1 1019 . 2 1 1 A 80 80 CYS HA H 80 3.344 2.889 0.455 1
1 1022 . 2 1 1 A 80 80 CYS C C 80 176.127 176.272 -0.145 1
1 1023 . 2 1 1 A 80 80 CYS CA C 80 64.083 62.062 2.021 1
1 1024 . 2 1 1 A 80 80 CYS CB C 80 28.199 26.556 1.643 1
1 1025 . 2 1 1 A 80 80 CYS N N 80 118.257 118.661 -0.404 1
1 1026 . 2 1 1 A 81 81 MET H H 81 7.600 8.413 -0.813 1
1 1027 . 2 1 1 A 81 81 MET HA H 81 3.242 4.058 -0.816 1
1 1035 . 2 1 1 A 81 81 MET C C 81 176.227 177.388 -1.161 1
1 1036 . 2 1 1 A 81 81 MET CA C 81 60.091 57.744 2.347 1
1 1037 . 2 1 1 A 81 81 MET CB C 81 34.090 32.073 2.017 1
1 1040 . 2 1 1 A 81 81 MET N N 81 114.515 118.534 -4.019 1
1 1041 . 2 1 1 A 82 82 ALA H H 82 7.299 7.477 -0.178 1
1 1042 . 2 1 1 A 82 82 ALA HA H 82 4.121 4.186 -0.065 1
1 1046 . 2 1 1 A 82 82 ALA C C 82 173.827 177.473 -3.646 1
1 1047 . 2 1 1 A 82 82 ALA CA C 82 54.930 53.664 1.266 1
1 1048 . 2 1 1 A 82 82 ALA CB C 82 20.641 18.337 2.304 1
1 1049 . 2 1 1 A 82 82 ALA N N 82 118.977 122.206 -3.229 1
1 1050 . 2 1 1 A 83 83 TYR H H 83 7.623 7.518 0.105 1
1 1051 . 2 1 1 A 83 83 TYR HA H 83 4.771 4.947 -0.176 1
1 1058 . 2 1 1 A 83 83 TYR CA C 83 59.333 57.120 2.213 1
1 1059 . 2 1 1 A 83 83 TYR CB C 83 41.599 39.950 1.649 1
1 1060 . 2 1 1 A 83 83 TYR N N 83 113.311 113.252 0.059 1
1 1061 . 2 1 1 A 84 84 ASN HA H 84 4.534 4.291 0.243 1
1 1064 . 2 1 1 A 84 84 ASN CA C 84 56.126 54.388 1.738 1
1 1065 . 2 1 1 A 84 84 ASN CB C 84 41.990 38.103 3.887 1
1 1066 . 2 1 1 A 85 85 ASP H H 85 8.681 8.710 -0.029 1
1 1067 . 2 1 1 A 85 85 ASP HA H 85 4.086 4.465 -0.379 1
1 1070 . 2 1 1 A 85 85 ASP CA C 85 58.457 56.051 2.406 1
1 1071 . 2 1 1 A 85 85 ASP CB C 85 42.260 39.057 3.203 1
1 1072 . 2 1 1 A 85 85 ASP N N 85 126.079 119.875 6.204 1
1 1073 . 2 1 1 A 86 86 PHE H H 86 8.672 7.704 0.968 1
1 1074 . 2 1 1 A 86 86 PHE HA H 86 3.744 4.404 -0.660 1
1 1081 . 2 1 1 A 86 86 PHE C C 86 176.827 177.074 -0.247 1
1 1082 . 2 1 1 A 86 86 PHE CA C 86 62.903 60.194 2.709 1
1 1083 . 2 1 1 A 86 86 PHE CB C 86 41.596 38.104 3.492 1
1 1084 . 2 1 1 A 86 86 PHE N N 86 121.950 117.202 4.748 1
1 1085 . 2 1 1 A 87 87 PHE H H 87 7.225 7.472 -0.247 1
1 1086 . 2 1 1 A 87 87 PHE HA H 87 3.836 4.613 -0.777 1
1 1093 . 2 1 1 A 87 87 PHE C C 87 176.927 174.991 1.936 1
1 1094 . 2 1 1 A 87 87 PHE CA C 87 60.422 58.785 1.637 1
1 1095 . 2 1 1 A 87 87 PHE CB C 87 41.081 39.426 1.655 1
1 1096 . 2 1 1 A 87 87 PHE N N 87 110.928 116.896 -5.968 1
1 1097 . 2 1 1 A 88 88 LEU H H 88 7.130 7.543 -0.413 1
1 1098 . 2 1 1 A 88 88 LEU HA H 88 4.169 4.744 -0.575 1
1 1108 . 2 1 1 A 88 88 LEU C C 88 175.027 176.170 -1.143 1
1 1109 . 2 1 1 A 88 88 LEU CA C 88 56.962 53.182 3.780 1
1 1110 . 2 1 1 A 88 88 LEU CB C 88 44.199 44.105 0.094 1
1 1114 . 2 1 1 A 88 88 LEU N N 88 119.732 120.372 -0.640 1
1 1115 . 2 1 1 A 89 89 GLU H H 89 8.097 8.692 -0.595 1
1 1116 . 2 1 1 A 89 89 GLU HA H 89 4.087 4.561 -0.474 1
1 1121 . 2 1 1 A 89 89 GLU C C 89 176.427 175.650 0.777 1
1 1122 . 2 1 1 A 89 89 GLU CA C 89 58.216 56.904 1.312 1
1 1123 . 2 1 1 A 89 89 GLU CB C 89 32.309 32.328 -0.019 1
1 1125 . 2 1 1 A 89 89 GLU N N 89 121.626 120.342 1.284 1
1 1126 . 2 1 1 A 90 90 ASP H H 90 8.243 7.926 0.317 1
1 1127 . 2 1 1 A 90 90 ASP HA H 90 4.425 4.911 -0.486 1
1 1130 . 2 1 1 A 90 90 ASP C C 90 176.527 173.910 2.617 1
1 1131 . 2 1 1 A 90 90 ASP CA C 90 55.815 53.055 2.760 1
1 1132 . 2 1 1 A 90 90 ASP CB C 90 42.874 44.466 -1.592 1
1 1133 . 2 1 1 A 90 90 ASP N N 90 121.280 119.114 2.166 1
1 1134 . 2 1 1 A 91 91 ASN H H 91 8.267 8.392 -0.125 1
1 1135 . 2 1 1 A 91 91 ASN HA H 91 4.563 4.735 -0.172 1
1 1140 . 2 1 1 A 91 91 ASN C C 91 178.127 173.583 4.544 1
1 1141 . 2 1 1 A 91 91 ASN CA C 91 54.928 52.855 2.073 1
1 1142 . 2 1 1 A 91 91 ASN CB C 91 40.529 36.464 4.065 1
1 1143 . 2 1 1 A 91 91 ASN N N 91 119.209 118.690 0.519 1
1 14 . 3 1 1 A 2 2 GLU H H 2 8.722 7.594 1.128 1
1 15 . 3 1 1 A 2 2 GLU HA H 2 4.557 4.789 -0.232 1
1 20 . 3 1 1 A 2 2 GLU C C 2 175.827 174.084 1.743 1
1 21 . 3 1 1 A 2 2 GLU CA C 2 58.063 56.604 1.459 1
1 22 . 3 1 1 A 2 2 GLU CB C 2 33.147 31.449 1.698 1
1 24 . 3 1 1 A 2 2 GLU N N 2 124.627 118.140 6.487 1
1 25 . 3 1 1 A 3 3 THR H H 3 8.670 8.615 0.055 1
1 26 . 3 1 1 A 3 3 THR HA H 3 4.616 5.086 -0.470 1
1 31 . 3 1 1 A 3 3 THR CA C 3 61.734 58.762 2.972 1
1 32 . 3 1 1 A 3 3 THR CB C 3 70.590 71.151 -0.561 1
1 34 . 3 1 1 A 3 3 THR N N 3 116.274 115.751 0.523 1
1 35 . 3 1 1 A 4 4 PRO HA H 4 4.161 4.408 -0.247 1
1 42 . 3 1 1 A 4 4 PRO C C 4 172.227 177.713 -5.486 1
1 43 . 3 1 1 A 4 4 PRO CA C 4 68.211 65.261 2.950 1
1 44 . 3 1 1 A 4 4 PRO CB C 4 33.796 31.994 1.802 1
1 47 . 3 1 1 A 5 5 LEU H H 5 9.207 7.699 1.508 1
1 48 . 3 1 1 A 5 5 LEU HA H 5 4.038 4.031 0.007 1
1 58 . 3 1 1 A 5 5 LEU C C 5 174.327 178.301 -3.974 1
1 59 . 3 1 1 A 5 5 LEU CA C 5 59.483 57.330 2.153 1
1 60 . 3 1 1 A 5 5 LEU CB C 5 43.877 41.766 2.111 1
1 64 . 3 1 1 A 5 5 LEU N N 5 119.157 117.630 1.527 1
1 65 . 3 1 1 A 6 6 GLU H H 6 7.661 8.134 -0.473 1
1 66 . 3 1 1 A 6 6 GLU HA H 6 3.755 3.908 -0.153 1
1 71 . 3 1 1 A 6 6 GLU C C 6 172.727 179.149 -6.422 1
1 72 . 3 1 1 A 6 6 GLU CA C 6 61.953 59.858 2.095 1
1 73 . 3 1 1 A 6 6 GLU CB C 6 31.354 29.354 2.000 1
1 75 . 3 1 1 A 6 6 GLU N N 6 119.837 119.094 0.743 1
1 76 . 3 1 1 A 7 7 LYS H H 7 8.430 8.039 0.391 1
1 77 . 3 1 1 A 7 7 LYS HA H 7 3.921 4.090 -0.169 1
1 86 . 3 1 1 A 7 7 LYS C C 7 172.927 179.158 -6.231 1
1 87 . 3 1 1 A 7 7 LYS CA C 7 61.312 58.959 2.353 1
1 88 . 3 1 1 A 7 7 LYS CB C 7 33.861 31.979 1.882 1
1 92 . 3 1 1 A 7 7 LYS N N 7 119.023 119.093 -0.070 1
1 93 . 3 1 1 A 8 8 ALA H H 8 8.079 7.970 0.109 1
1 94 . 3 1 1 A 8 8 ALA HA H 8 4.085 4.078 0.007 1
1 98 . 3 1 1 A 8 8 ALA C C 8 173.027 180.121 -7.094 1
1 99 . 3 1 1 A 8 8 ALA CA C 8 56.967 55.160 1.807 1
1 100 . 3 1 1 A 8 8 ALA CB C 8 20.140 18.634 1.506 1
1 101 . 3 1 1 A 8 8 ALA N N 8 123.824 122.319 1.505 1
1 102 . 3 1 1 A 9 9 LEU H H 9 8.032 7.735 0.297 1
1 103 . 3 1 1 A 9 9 LEU HA H 9 4.061 3.929 0.132 1
1 113 . 3 1 1 A 9 9 LEU C C 9 172.527 179.193 -6.666 1
1 114 . 3 1 1 A 9 9 LEU CA C 9 60.071 58.010 2.061 1
1 115 . 3 1 1 A 9 9 LEU CB C 9 42.714 41.790 0.924 1
1 119 . 3 1 1 A 9 9 LEU N N 9 118.643 117.843 0.800 1
1 120 . 3 1 1 A 10 10 THR H H 10 8.686 8.159 0.527 1
1 121 . 3 1 1 A 10 10 THR HA H 10 3.798 3.938 -0.140 1
1 126 . 3 1 1 A 10 10 THR C C 10 175.127 176.851 -1.724 1
1 127 . 3 1 1 A 10 10 THR CA C 10 69.282 66.532 2.750 1
1 128 . 3 1 1 A 10 10 THR CB C 10 70.132 68.634 1.498 1
1 130 . 3 1 1 A 10 10 THR N N 10 117.087 115.628 1.459 1
1 131 . 3 1 1 A 11 11 THR H H 11 8.628 8.053 0.575 1
1 132 . 3 1 1 A 11 11 THR HA H 11 3.961 3.984 -0.023 1
1 137 . 3 1 1 A 11 11 THR C C 11 174.427 176.638 -2.211 1
1 138 . 3 1 1 A 11 11 THR CA C 11 68.408 66.326 2.082 1
1 139 . 3 1 1 A 11 11 THR CB C 11 69.107 68.478 0.629 1
1 141 . 3 1 1 A 11 11 THR N N 11 120.770 116.620 4.150 1
1 142 . 3 1 1 A 12 12 MET H H 12 8.390 8.407 -0.017 1
1 143 . 3 1 1 A 12 12 MET HA H 12 3.956 4.438 -0.482 1
1 151 . 3 1 1 A 12 12 MET C C 12 175.127 178.515 -3.388 1
1 152 . 3 1 1 A 12 12 MET CA C 12 62.750 57.791 4.959 1
1 153 . 3 1 1 A 12 12 MET CB C 12 34.952 32.524 2.428 1
1 156 . 3 1 1 A 12 12 MET N N 12 124.388 118.613 5.775 1
1 157 . 3 1 1 A 13 13 VAL H H 13 8.104 8.720 -0.616 1
1 158 . 3 1 1 A 13 13 VAL HA H 13 3.576 4.144 -0.568 1
1 166 . 3 1 1 A 13 13 VAL C C 13 175.327 178.250 -2.923 1
1 167 . 3 1 1 A 13 13 VAL CA C 13 68.958 66.100 2.858 1
1 168 . 3 1 1 A 13 13 VAL CB C 13 33.703 31.314 2.389 1
1 171 . 3 1 1 A 13 13 VAL N N 13 121.753 116.931 4.822 1
1 172 . 3 1 1 A 14 14 THR H H 14 9.186 8.272 0.914 1
1 173 . 3 1 1 A 14 14 THR HA H 14 3.774 4.136 -0.362 1
1 178 . 3 1 1 A 14 14 THR C C 14 173.927 176.603 -2.676 1
1 179 . 3 1 1 A 14 14 THR CA C 14 67.955 66.426 1.529 1
1 180 . 3 1 1 A 14 14 THR CB C 14 70.504 68.886 1.618 1
1 182 . 3 1 1 A 14 14 THR N N 14 114.911 116.970 -2.059 1
1 183 . 3 1 1 A 15 15 THR H H 15 8.453 8.473 -0.020 1
1 184 . 3 1 1 A 15 15 THR HA H 15 3.859 4.195 -0.336 1
1 190 . 3 1 1 A 15 15 THR C C 15 178.127 176.785 1.342 1
1 191 . 3 1 1 A 15 15 THR CA C 15 69.609 65.935 3.674 1
1 192 . 3 1 1 A 15 15 THR CB C 15 70.511 68.298 2.213 1
1 194 . 3 1 1 A 15 15 THR N N 15 118.791 112.583 6.208 1
1 195 . 3 1 1 A 16 16 PHE H H 16 7.207 8.500 -1.293 1
1 196 . 3 1 1 A 16 16 PHE HA H 16 3.572 3.952 -0.380 1
1 203 . 3 1 1 A 16 16 PHE C C 16 178.527 177.272 1.255 1
1 204 . 3 1 1 A 16 16 PHE CA C 16 64.090 61.586 2.504 1
1 205 . 3 1 1 A 16 16 PHE CB C 16 41.091 38.705 2.386 1
1 206 . 3 1 1 A 16 16 PHE N N 16 121.331 123.888 -2.557 1
1 207 . 3 1 1 A 17 17 HIS H H 17 8.393 8.307 0.086 1
1 208 . 3 1 1 A 17 17 HIS HA H 17 5.329 4.196 1.133 1
1 211 . 3 1 1 A 17 17 HIS C C 17 174.627 177.290 -2.663 1
1 212 . 3 1 1 A 17 17 HIS CA C 17 56.667 60.359 -3.692 1
1 213 . 3 1 1 A 17 17 HIS CB C 17 32.397 29.583 2.814 1
1 214 . 3 1 1 A 17 17 HIS N N 17 117.858 118.984 -1.126 1
1 215 . 3 1 1 A 18 18 LYS H H 18 7.767 7.998 -0.231 1
1 216 . 3 1 1 A 18 18 LYS HA H 18 3.553 3.766 -0.213 1
1 225 . 3 1 1 A 18 18 LYS C C 18 175.527 177.448 -1.921 1
1 226 . 3 1 1 A 18 18 LYS CA C 18 61.301 58.765 2.536 1
1 227 . 3 1 1 A 18 18 LYS CB C 18 33.523 31.958 1.565 1
1 231 . 3 1 1 A 18 18 LYS N N 18 120.691 118.475 2.216 1
1 232 . 3 1 1 A 19 19 TYR H H 19 7.079 7.228 -0.149 1
1 233 . 3 1 1 A 19 19 TYR HA H 19 3.993 4.362 -0.369 1
1 240 . 3 1 1 A 19 19 TYR C C 19 174.227 177.307 -3.080 1
1 241 . 3 1 1 A 19 19 TYR CA C 19 61.287 59.631 1.656 1
1 242 . 3 1 1 A 19 19 TYR CB C 19 42.066 39.706 2.360 1
1 243 . 3 1 1 A 19 19 TYR N N 19 114.592 116.854 -2.262 1
1 244 . 3 1 1 A 20 20 SER H H 20 9.708 8.149 1.559 1
1 245 . 3 1 1 A 20 20 SER HA H 20 4.117 4.187 -0.070 1
1 248 . 3 1 1 A 20 20 SER C C 20 175.227 176.880 -1.653 1
1 249 . 3 1 1 A 20 20 SER CA C 20 60.135 62.728 -2.593 1
1 250 . 3 1 1 A 20 20 SER CB C 20 63.159 62.581 0.578 1
1 251 . 3 1 1 A 20 20 SER N N 20 121.764 116.143 5.621 1
1 252 . 3 1 1 A 21 21 GLY H H 21 8.146 8.420 -0.274 1
1 253 . 3 1 1 A 21 21 GLY HA2 H 21 3.956 3.928 0.028 1
1 254 . 3 1 1 A 21 21 GLY HA3 H 21 3.571 4.085 -0.514 1
1 255 . 3 1 1 A 21 21 GLY C C 21 177.927 174.381 3.546 1
1 256 . 3 1 1 A 21 21 GLY CA C 21 46.646 46.043 0.603 1
1 257 . 3 1 1 A 21 21 GLY N N 21 106.982 107.660 -0.678 1
1 258 . 3 1 1 A 22 22 ARG H H 22 7.007 7.674 -0.667 1
1 259 . 3 1 1 A 22 22 ARG HA H 22 3.815 4.413 -0.598 1
1 266 . 3 1 1 A 22 22 ARG C C 22 175.927 175.887 0.040 1
1 267 . 3 1 1 A 22 22 ARG CA C 22 60.766 55.619 5.147 1
1 268 . 3 1 1 A 22 22 ARG CB C 22 32.302 31.578 0.724 1
1 271 . 3 1 1 A 22 22 ARG N N 22 118.055 118.590 -0.535 1
1 272 . 3 1 1 A 23 23 GLU H H 23 7.551 7.749 -0.198 1
1 273 . 3 1 1 A 23 23 GLU HA H 23 4.436 4.612 -0.176 1
1 278 . 3 1 1 A 23 23 GLU C C 23 177.727 178.164 -0.437 1
1 279 . 3 1 1 A 23 23 GLU CA C 23 56.853 54.028 2.825 1
1 280 . 3 1 1 A 23 23 GLU CB C 23 33.988 31.944 2.044 1
1 282 . 3 1 1 A 23 23 GLU N N 23 114.631 118.501 -3.870 1
1 283 . 3 1 1 A 24 24 GLY H H 24 8.376 8.494 -0.118 1
1 284 . 3 1 1 A 24 24 GLY HA2 H 24 3.771 3.829 -0.058 1
1 285 . 3 1 1 A 24 24 GLY HA3 H 24 3.567 3.955 -0.388 1
1 286 . 3 1 1 A 24 24 GLY C C 24 177.127 174.291 2.836 1
1 287 . 3 1 1 A 24 24 GLY CA C 24 47.718 46.526 1.192 1
1 288 . 3 1 1 A 24 24 GLY N N 24 107.626 110.790 -3.164 1
1 289 . 3 1 1 A 25 25 SER H H 25 8.443 7.574 0.869 1
1 290 . 3 1 1 A 25 25 SER HA H 25 4.314 4.676 -0.362 1
1 293 . 3 1 1 A 25 25 SER C C 25 175.527 173.677 1.850 1
1 294 . 3 1 1 A 25 25 SER CA C 25 59.146 57.077 2.069 1
1 295 . 3 1 1 A 25 25 SER CB C 25 65.573 64.854 0.719 1
1 296 . 3 1 1 A 25 25 SER N N 25 119.000 114.260 4.740 1
1 297 . 3 1 1 A 26 26 LYS H H 26 8.821 8.898 -0.077 1
1 298 . 3 1 1 A 26 26 LYS HA H 26 4.307 4.170 0.137 1
1 307 . 3 1 1 A 26 26 LYS C C 26 176.027 176.333 -0.306 1
1 308 . 3 1 1 A 26 26 LYS CA C 26 59.180 58.194 0.986 1
1 309 . 3 1 1 A 26 26 LYS CB C 26 33.211 31.770 1.441 1
1 313 . 3 1 1 A 26 26 LYS N N 26 126.125 124.026 2.099 1
1 314 . 3 1 1 A 27 27 LEU H H 27 8.237 7.830 0.407 1
1 315 . 3 1 1 A 27 27 LEU HA H 27 4.534 4.628 -0.094 1
1 325 . 3 1 1 A 27 27 LEU C C 27 175.627 176.202 -0.575 1
1 326 . 3 1 1 A 27 27 LEU CA C 27 56.384 54.886 1.498 1
1 327 . 3 1 1 A 27 27 LEU CB C 27 44.218 44.039 0.179 1
1 331 . 3 1 1 A 27 27 LEU N N 27 117.484 118.233 -0.749 1
1 332 . 3 1 1 A 28 28 THR H H 28 7.386 7.403 -0.017 1
1 333 . 3 1 1 A 28 28 THR HA H 28 5.517 5.224 0.293 1
1 338 . 3 1 1 A 28 28 THR C C 28 180.227 172.264 7.963 1
1 339 . 3 1 1 A 28 28 THR CA C 28 61.014 60.491 0.523 1
1 340 . 3 1 1 A 28 28 THR CB C 28 75.348 72.499 2.849 1
1 342 . 3 1 1 A 28 28 THR N N 28 106.230 109.553 -3.323 1
1 343 . 3 1 1 A 29 29 LEU H H 29 8.721 8.398 0.323 1
1 344 . 3 1 1 A 29 29 LEU HA H 29 4.713 4.794 -0.081 1
1 354 . 3 1 1 A 29 29 LEU C C 29 176.927 175.346 1.581 1
1 355 . 3 1 1 A 29 29 LEU CA C 29 55.163 53.727 1.436 1
1 356 . 3 1 1 A 29 29 LEU CB C 29 46.059 44.827 1.232 1
1 360 . 3 1 1 A 29 29 LEU N N 29 116.728 118.122 -1.394 1
1 361 . 3 1 1 A 30 30 SER H H 30 8.866 9.142 -0.276 1
1 362 . 3 1 1 A 30 30 SER HA H 30 4.942 4.874 0.068 1
1 365 . 3 1 1 A 30 30 SER C C 30 176.327 176.116 0.211 1
1 366 . 3 1 1 A 30 30 SER CA C 30 59.032 57.594 1.438 1
1 367 . 3 1 1 A 30 30 SER CB C 30 67.150 64.586 2.564 1
1 368 . 3 1 1 A 30 30 SER N N 30 117.110 115.453 1.657 1
1 369 . 3 1 1 A 31 31 ARG H H 31 8.393 8.883 -0.490 1
1 370 . 3 1 1 A 31 31 ARG HA H 31 3.695 3.967 -0.272 1
1 377 . 3 1 1 A 31 31 ARG C C 31 174.127 178.399 -4.272 1
1 378 . 3 1 1 A 31 31 ARG CA C 31 62.776 59.049 3.727 1
1 379 . 3 1 1 A 31 31 ARG CB C 31 31.601 29.759 1.842 1
1 382 . 3 1 1 A 31 31 ARG N N 31 121.109 122.204 -1.095 1
1 383 . 3 1 1 A 32 32 LYS H H 32 8.264 7.681 0.583 1
1 384 . 3 1 1 A 32 32 LYS HA H 32 3.912 3.948 -0.036 1
1 393 . 3 1 1 A 32 32 LYS C C 32 172.827 178.696 -5.869 1
1 394 . 3 1 1 A 32 32 LYS CA C 32 61.591 59.593 1.998 1
1 395 . 3 1 1 A 32 32 LYS CB C 32 34.116 32.023 2.093 1
1 399 . 3 1 1 A 32 32 LYS N N 32 118.536 120.182 -1.646 1
1 400 . 3 1 1 A 33 33 GLU H H 33 7.790 7.892 -0.102 1
1 401 . 3 1 1 A 33 33 GLU HA H 33 4.049 3.986 0.063 1
1 406 . 3 1 1 A 33 33 GLU C C 33 174.327 178.313 -3.986 1
1 407 . 3 1 1 A 33 33 GLU CA C 33 60.634 59.037 1.597 1
1 408 . 3 1 1 A 33 33 GLU CB C 33 31.617 29.489 2.128 1
1 410 . 3 1 1 A 33 33 GLU N N 33 121.557 119.062 2.495 1
1 411 . 3 1 1 A 34 34 LEU H H 34 8.388 8.196 0.192 1
1 412 . 3 1 1 A 34 34 LEU HA H 34 3.844 3.811 0.033 1
1 422 . 3 1 1 A 34 34 LEU C C 34 174.927 178.374 -3.447 1
1 423 . 3 1 1 A 34 34 LEU CA C 34 59.173 57.590 1.583 1
1 424 . 3 1 1 A 34 34 LEU CB C 34 42.053 41.732 0.321 1
1 428 . 3 1 1 A 34 34 LEU N N 34 120.999 121.219 -0.220 1
1 429 . 3 1 1 A 35 35 LYS H H 35 7.817 7.971 -0.154 1
1 430 . 3 1 1 A 35 35 LYS HA H 35 3.478 3.868 -0.390 1
1 439 . 3 1 1 A 35 35 LYS C C 35 174.627 178.470 -3.843 1
1 440 . 3 1 1 A 35 35 LYS CA C 35 62.312 58.667 3.645 1
1 441 . 3 1 1 A 35 35 LYS CB C 35 33.814 31.793 2.021 1
1 445 . 3 1 1 A 35 35 LYS N N 35 118.738 118.091 0.647 1
1 446 . 3 1 1 A 36 36 GLU H H 36 7.208 7.631 -0.423 1
1 447 . 3 1 1 A 36 36 GLU HA H 36 3.801 4.023 -0.222 1
1 452 . 3 1 1 A 36 36 GLU C C 36 175.227 178.325 -3.098 1
1 453 . 3 1 1 A 36 36 GLU CA C 36 61.015 59.101 1.914 1
1 454 . 3 1 1 A 36 36 GLU CB C 36 30.770 29.464 1.306 1
1 456 . 3 1 1 A 36 36 GLU N N 36 118.771 119.649 -0.878 1
1 457 . 3 1 1 A 37 37 LEU H H 37 8.038 7.798 0.240 1
1 458 . 3 1 1 A 37 37 LEU HA H 37 3.178 3.650 -0.472 1
1 468 . 3 1 1 A 37 37 LEU C C 37 172.927 178.152 -5.225 1
1 469 . 3 1 1 A 37 37 LEU CA C 37 60.915 57.893 3.022 1
1 470 . 3 1 1 A 37 37 LEU CB C 37 43.352 40.936 2.416 1
1 474 . 3 1 1 A 37 37 LEU N N 37 121.767 120.367 1.400 1
1 475 . 3 1 1 A 38 38 ILE H H 38 8.224 7.944 0.280 1
1 476 . 3 1 1 A 38 38 ILE HA H 38 3.234 3.707 -0.473 1
1 486 . 3 1 1 A 38 38 ILE C C 38 174.727 177.757 -3.030 1
1 487 . 3 1 1 A 38 38 ILE CA C 38 66.464 65.048 1.416 1
1 488 . 3 1 1 A 38 38 ILE CB C 38 38.799 37.555 1.244 1
1 492 . 3 1 1 A 38 38 ILE N N 38 119.417 119.729 -0.312 1
1 493 . 3 1 1 A 39 39 LYS H H 39 7.700 7.711 -0.011 1
1 494 . 3 1 1 A 39 39 LYS HA H 39 3.894 4.216 -0.322 1
1 503 . 3 1 1 A 39 39 LYS C C 39 173.727 177.302 -3.575 1
1 504 . 3 1 1 A 39 39 LYS CA C 39 61.015 57.863 3.152 1
1 505 . 3 1 1 A 39 39 LYS CB C 39 34.100 32.159 1.941 1
1 509 . 3 1 1 A 39 39 LYS N N 39 117.277 119.805 -2.528 1
1 510 . 3 1 1 A 40 40 LYS H H 40 8.170 7.708 0.462 1
1 511 . 3 1 1 A 40 40 LYS HA H 40 4.226 4.362 -0.136 1
1 520 . 3 1 1 A 40 40 LYS C C 40 173.427 178.133 -4.706 1
1 521 . 3 1 1 A 40 40 LYS CA C 40 59.251 57.542 1.709 1
1 522 . 3 1 1 A 40 40 LYS CB C 40 35.528 33.946 1.582 1
1 526 . 3 1 1 A 40 40 LYS N N 40 115.146 118.002 -2.856 1
1 527 . 3 1 1 A 41 41 GLU H H 41 8.778 8.243 0.535 1
1 528 . 3 1 1 A 41 41 GLU HA H 41 4.629 4.511 0.118 1
1 533 . 3 1 1 A 41 41 GLU C C 41 175.527 174.947 0.580 1
1 534 . 3 1 1 A 41 41 GLU CA C 41 57.177 56.020 1.157 1
1 535 . 3 1 1 A 41 41 GLU CB C 41 31.656 30.345 1.311 1
1 537 . 3 1 1 A 41 41 GLU N N 41 113.604 115.927 -2.323 1
1 538 . 3 1 1 A 42 42 LEU H H 42 7.610 7.459 0.151 1
1 539 . 3 1 1 A 42 42 LEU HA H 42 4.475 4.806 -0.331 1
1 549 . 3 1 1 A 42 42 LEU C C 42 177.227 175.806 1.421 1
1 550 . 3 1 1 A 42 42 LEU CA C 42 56.047 53.722 2.325 1
1 551 . 3 1 1 A 42 42 LEU CB C 42 45.748 46.009 -0.261 1
1 555 . 3 1 1 A 42 42 LEU N N 42 118.997 120.041 -1.044 1
1 556 . 3 1 1 A 43 43 CYS H H 43 8.501 8.634 -0.133 1
1 557 . 3 1 1 A 43 43 CYS HA H 43 4.397 4.564 -0.167 1
1 560 . 3 1 1 A 43 43 CYS C C 43 177.327 174.749 2.578 1
1 561 . 3 1 1 A 43 43 CYS CA C 43 60.023 60.482 -0.459 1
1 562 . 3 1 1 A 43 43 CYS CB C 43 27.915 29.714 -1.799 1
1 563 . 3 1 1 A 43 43 CYS N N 43 119.622 122.549 -2.927 1
1 564 . 3 1 1 A 44 44 LEU H H 44 8.200 7.975 0.225 1
1 565 . 3 1 1 A 44 44 LEU HA H 44 3.979 3.854 0.125 1
1 575 . 3 1 1 A 44 44 LEU C C 44 173.927 175.977 -2.050 1
1 576 . 3 1 1 A 44 44 LEU CA C 44 57.244 55.734 1.510 1
1 577 . 3 1 1 A 44 44 LEU CB C 44 43.622 41.256 2.366 1
1 581 . 3 1 1 A 44 44 LEU N N 44 121.955 120.518 1.437 1
1 582 . 3 1 1 A 45 45 GLY H H 45 8.244 8.671 -0.427 1
1 583 . 3 1 1 A 45 45 GLY HA2 H 45 3.849 3.749 0.100 1
1 584 . 3 1 1 A 45 45 GLY HA3 H 45 3.789 3.925 -0.136 1
1 585 . 3 1 1 A 45 45 GLY C C 45 178.027 174.477 3.550 1
1 586 . 3 1 1 A 45 45 GLY CA C 45 47.023 47.388 -0.365 1
1 587 . 3 1 1 A 45 45 GLY N N 45 107.702 106.003 1.699 1
1 588 . 3 1 1 A 46 46 GLU H H 46 8.286 8.196 0.090 1
1 589 . 3 1 1 A 46 46 GLU HA H 46 4.039 4.505 -0.466 1
1 594 . 3 1 1 A 46 46 GLU C C 46 175.127 177.216 -2.089 1
1 595 . 3 1 1 A 46 46 GLU CA C 46 59.176 56.051 3.125 1
1 596 . 3 1 1 A 46 46 GLU CB C 46 31.361 31.924 -0.563 1
1 598 . 3 1 1 A 46 46 GLU N N 46 119.602 121.820 -2.218 1
1 599 . 3 1 1 A 47 47 MET H H 47 8.048 8.145 -0.097 1
1 600 . 3 1 1 A 47 47 MET HA H 47 4.229 4.254 -0.025 1
1 608 . 3 1 1 A 47 47 MET C C 47 175.727 176.271 -0.544 1
1 609 . 3 1 1 A 47 47 MET CA C 47 58.183 56.588 1.595 1
1 610 . 3 1 1 A 47 47 MET CB C 47 34.087 32.204 1.883 1
1 613 . 3 1 1 A 47 47 MET N N 47 119.617 118.043 1.574 1
1 614 . 3 1 1 A 48 48 LYS H H 48 8.221 7.283 0.938 1
1 615 . 3 1 1 A 48 48 LYS HA H 48 4.217 4.596 -0.379 1
1 624 . 3 1 1 A 48 48 LYS C C 48 174.927 176.596 -1.669 1
1 625 . 3 1 1 A 48 48 LYS CA C 48 58.304 56.008 2.296 1
1 626 . 3 1 1 A 48 48 LYS CB C 48 34.548 33.385 1.163 1
1 630 . 3 1 1 A 48 48 LYS N N 48 120.987 118.193 2.794 1
1 631 . 3 1 1 A 49 49 GLU H H 49 8.346 8.894 -0.548 1
1 632 . 3 1 1 A 49 49 GLU HA H 49 3.922 4.453 -0.531 1
1 637 . 3 1 1 A 49 49 GLU C C 49 174.427 177.928 -3.501 1
1 638 . 3 1 1 A 49 49 GLU CA C 49 60.298 56.552 3.746 1
1 639 . 3 1 1 A 49 49 GLU CB C 49 31.065 30.689 0.376 1
1 641 . 3 1 1 A 49 49 GLU N N 49 121.867 121.949 -0.082 1
1 642 . 3 1 1 A 50 50 SER H H 50 8.348 8.973 -0.625 1
1 643 . 3 1 1 A 50 50 SER HA H 50 4.172 4.171 0.001 1
1 647 . 3 1 1 A 50 50 SER C C 50 176.027 175.815 0.212 1
1 648 . 3 1 1 A 50 50 SER CA C 50 62.548 60.949 1.599 1
1 649 . 3 1 1 A 50 50 SER CB C 50 64.840 62.549 2.291 1
1 650 . 3 1 1 A 50 50 SER N N 50 115.695 118.949 -3.254 1
1 651 . 3 1 1 A 51 51 SER H H 51 7.980 8.127 -0.147 1
1 652 . 3 1 1 A 51 51 SER HA H 51 4.258 4.220 0.038 1
1 655 . 3 1 1 A 51 51 SER C C 51 174.427 176.662 -2.235 1
1 656 . 3 1 1 A 51 51 SER CA C 51 62.828 61.211 1.617 1
1 657 . 3 1 1 A 51 51 SER CB C 51 64.749 63.079 1.670 1
1 658 . 3 1 1 A 51 51 SER N N 51 117.126 115.289 1.837 1
1 659 . 3 1 1 A 52 52 ILE H H 52 7.365 7.559 -0.194 1
1 660 . 3 1 1 A 52 52 ILE HA H 52 4.038 3.929 0.109 1
1 670 . 3 1 1 A 52 52 ILE C C 52 175.627 176.505 -0.878 1
1 671 . 3 1 1 A 52 52 ILE CA C 52 64.609 64.325 0.284 1
1 672 . 3 1 1 A 52 52 ILE CB C 52 39.272 37.449 1.823 1
1 676 . 3 1 1 A 52 52 ILE N N 52 117.484 118.768 -1.284 1
1 677 . 3 1 1 A 53 53 ASP H H 53 7.681 7.928 -0.247 1
1 678 . 3 1 1 A 53 53 ASP HA H 53 4.214 4.584 -0.370 1
1 681 . 3 1 1 A 53 53 ASP C C 53 174.027 177.699 -3.672 1
1 682 . 3 1 1 A 53 53 ASP CA C 53 59.799 55.502 4.297 1
1 683 . 3 1 1 A 53 53 ASP CB C 53 42.927 41.566 1.361 1
1 684 . 3 1 1 A 53 53 ASP N N 53 121.969 122.083 -0.114 1
1 685 . 3 1 1 A 54 54 ASP H H 54 8.227 7.934 0.293 1
1 686 . 3 1 1 A 54 54 ASP HA H 54 4.231 4.415 -0.184 1
1 689 . 3 1 1 A 54 54 ASP C C 54 172.927 178.602 -5.675 1
1 690 . 3 1 1 A 54 54 ASP CA C 54 59.507 57.496 2.011 1
1 691 . 3 1 1 A 54 54 ASP CB C 54 41.818 41.034 0.784 1
1 692 . 3 1 1 A 54 54 ASP N N 54 118.083 119.949 -1.866 1
1 693 . 3 1 1 A 55 55 LEU H H 55 7.650 8.134 -0.484 1
1 694 . 3 1 1 A 55 55 LEU HA H 55 4.016 3.906 0.110 1
1 704 . 3 1 1 A 55 55 LEU C C 55 171.927 179.227 -7.300 1
1 705 . 3 1 1 A 55 55 LEU CA C 55 59.965 57.946 2.019 1
1 706 . 3 1 1 A 55 55 LEU CB C 55 43.370 41.477 1.893 1
1 710 . 3 1 1 A 55 55 LEU N N 55 121.634 120.335 1.299 1
1 711 . 3 1 1 A 56 56 MET H H 56 8.429 8.129 0.300 1
1 712 . 3 1 1 A 56 56 MET HA H 56 4.325 4.202 0.123 1
1 720 . 3 1 1 A 56 56 MET C C 56 172.527 178.392 -5.865 1
1 721 . 3 1 1 A 56 56 MET CA C 56 59.221 59.318 -0.097 1
1 722 . 3 1 1 A 56 56 MET CB C 56 34.106 32.734 1.372 1
1 725 . 3 1 1 A 56 56 MET N N 56 118.696 117.033 1.663 1
1 726 . 3 1 1 A 57 57 LYS H H 57 8.249 7.965 0.284 1
1 727 . 3 1 1 A 57 57 LYS HA H 57 3.996 4.136 -0.140 1
1 736 . 3 1 1 A 57 57 LYS C C 57 172.527 178.305 -5.778 1
1 737 . 3 1 1 A 57 57 LYS CA C 57 60.872 58.800 2.072 1
1 738 . 3 1 1 A 57 57 LYS CB C 57 33.853 32.027 1.826 1
1 742 . 3 1 1 A 57 57 LYS N N 57 119.855 120.464 -0.609 1
1 743 . 3 1 1 A 58 58 SER H H 58 7.729 8.157 -0.428 1
1 744 . 3 1 1 A 58 58 SER HA H 58 4.125 4.320 -0.195 1
1 747 . 3 1 1 A 58 58 SER C C 58 176.527 176.639 -0.112 1
1 748 . 3 1 1 A 58 58 SER CA C 58 63.029 60.848 2.181 1
1 749 . 3 1 1 A 58 58 SER CB C 58 64.686 63.097 1.589 1
1 750 . 3 1 1 A 58 58 SER N N 58 115.984 114.999 0.985 1
1 751 . 3 1 1 A 59 59 LEU H H 59 7.288 7.617 -0.329 1
1 752 . 3 1 1 A 59 59 LEU HA H 59 4.058 4.168 -0.110 1
1 762 . 3 1 1 A 59 59 LEU C C 59 175.827 179.127 -3.300 1
1 763 . 3 1 1 A 59 59 LEU CA C 59 57.364 57.648 -0.284 1
1 764 . 3 1 1 A 59 59 LEU CB C 59 42.712 41.528 1.184 1
1 768 . 3 1 1 A 59 59 LEU N N 59 120.622 121.371 -0.749 1
1 769 . 3 1 1 A 60 60 ASP H H 60 7.431 7.801 -0.370 1
1 770 . 3 1 1 A 60 60 ASP HA H 60 4.386 4.610 -0.224 1
1 773 . 3 1 1 A 60 60 ASP C C 60 175.927 177.580 -1.653 1
1 774 . 3 1 1 A 60 60 ASP CA C 60 57.012 56.494 0.518 1
1 775 . 3 1 1 A 60 60 ASP CB C 60 42.351 40.867 1.484 1
1 776 . 3 1 1 A 60 60 ASP N N 60 116.755 119.336 -2.581 1
1 777 . 3 1 1 A 61 61 LYS H H 61 7.243 7.678 -0.435 1
1 778 . 3 1 1 A 61 61 LYS HA H 61 4.223 3.971 0.252 1
1 787 . 3 1 1 A 61 61 LYS C C 61 176.527 177.701 -1.174 1
1 788 . 3 1 1 A 61 61 LYS CA C 61 57.287 58.902 -1.615 1
1 789 . 3 1 1 A 61 61 LYS CB C 61 34.683 32.182 2.501 1
1 793 . 3 1 1 A 61 61 LYS N N 61 119.913 120.155 -0.242 1
1 794 . 3 1 1 A 62 62 ASN H H 62 8.725 7.904 0.821 1
1 795 . 3 1 1 A 62 62 ASN HA H 62 4.462 4.906 -0.444 1
1 800 . 3 1 1 A 62 62 ASN C C 62 175.627 176.017 -0.390 1
1 801 . 3 1 1 A 62 62 ASN CA C 62 55.452 53.759 1.693 1
1 802 . 3 1 1 A 62 62 ASN CB C 62 39.336 41.112 -1.776 1
1 803 . 3 1 1 A 62 62 ASN N N 62 120.247 115.081 5.166 1
1 805 . 3 1 1 A 63 63 SER H H 63 8.061 7.822 0.239 1
1 806 . 3 1 1 A 63 63 SER HA H 63 3.957 4.390 -0.433 1
1 809 . 3 1 1 A 63 63 SER C C 63 174.827 174.085 0.742 1
1 810 . 3 1 1 A 63 63 SER CA C 63 62.954 60.020 2.934 1
1 811 . 3 1 1 A 63 63 SER CB C 63 65.586 62.263 3.323 1
1 812 . 3 1 1 A 63 63 SER N N 63 113.249 113.450 -0.201 1
1 813 . 3 1 1 A 64 64 ASP H H 64 8.408 8.409 -0.001 1
1 814 . 3 1 1 A 64 64 ASP HA H 64 4.573 4.759 -0.186 1
1 817 . 3 1 1 A 64 64 ASP C C 64 176.027 174.569 1.458 1
1 818 . 3 1 1 A 64 64 ASP CA C 64 55.789 53.890 1.899 1
1 819 . 3 1 1 A 64 64 ASP CB C 64 42.365 41.419 0.946 1
1 820 . 3 1 1 A 64 64 ASP N N 64 117.587 118.011 -0.424 1
1 821 . 3 1 1 A 65 65 GLN H H 65 7.779 7.737 0.042 1
1 822 . 3 1 1 A 65 65 GLN HA H 65 4.026 4.819 -0.793 1
1 829 . 3 1 1 A 65 65 GLN C C 65 176.827 175.542 1.285 1
1 830 . 3 1 1 A 65 65 GLN CA C 65 58.241 54.352 3.889 1
1 831 . 3 1 1 A 65 65 GLN CB C 65 31.309 32.240 -0.931 1
1 833 . 3 1 1 A 65 65 GLN N N 65 121.059 116.447 4.612 1
1 835 . 3 1 1 A 66 66 GLU H H 66 8.365 8.573 -0.208 1
1 836 . 3 1 1 A 66 66 GLU HA H 66 4.320 4.444 -0.124 1
1 841 . 3 1 1 A 66 66 GLU C C 66 176.227 176.785 -0.558 1
1 842 . 3 1 1 A 66 66 GLU CA C 66 58.238 57.091 1.147 1
1 843 . 3 1 1 A 66 66 GLU CB C 66 32.567 30.269 2.298 1
1 845 . 3 1 1 A 66 66 GLU N N 66 123.061 121.084 1.977 1
1 846 . 3 1 1 A 67 67 ILE H H 67 9.350 9.079 0.271 1
1 847 . 3 1 1 A 67 67 ILE HA H 67 4.543 5.051 -0.508 1
1 857 . 3 1 1 A 67 67 ILE C C 67 178.127 175.298 2.829 1
1 858 . 3 1 1 A 67 67 ILE CA C 67 61.173 58.924 2.249 1
1 859 . 3 1 1 A 67 67 ILE CB C 67 41.460 42.141 -0.681 1
1 863 . 3 1 1 A 67 67 ILE N N 67 121.809 119.310 2.499 1
1 864 . 3 1 1 A 68 68 ASP H H 68 8.140 8.423 -0.283 1
1 865 . 3 1 1 A 68 68 ASP HA H 68 5.408 4.998 0.410 1
1 868 . 3 1 1 A 68 68 ASP C C 68 176.127 177.804 -1.677 1
1 869 . 3 1 1 A 68 68 ASP CA C 68 53.471 52.042 1.429 1
1 870 . 3 1 1 A 68 68 ASP CB C 68 43.898 42.324 1.574 1
1 871 . 3 1 1 A 68 68 ASP N N 68 122.626 122.334 0.292 1
1 872 . 3 1 1 A 69 69 PHE H H 69 9.486 8.492 0.994 1
1 873 . 3 1 1 A 69 69 PHE HA H 69 3.397 4.174 -0.777 1
1 880 . 3 1 1 A 69 69 PHE C C 69 174.727 177.998 -3.271 1
1 881 . 3 1 1 A 69 69 PHE CA C 69 63.764 61.050 2.714 1
1 882 . 3 1 1 A 69 69 PHE CB C 69 42.009 38.459 3.550 1
1 883 . 3 1 1 A 69 69 PHE N N 69 118.584 118.479 0.105 1
1 884 . 3 1 1 A 70 70 LYS H H 70 7.510 8.140 -0.630 1
1 885 . 3 1 1 A 70 70 LYS HA H 70 3.633 4.212 -0.579 1
1 894 . 3 1 1 A 70 70 LYS C C 70 173.627 179.392 -5.765 1
1 895 . 3 1 1 A 70 70 LYS CA C 70 61.940 59.134 2.806 1
1 896 . 3 1 1 A 70 70 LYS CB C 70 33.189 32.730 0.459 1
1 900 . 3 1 1 A 70 70 LYS N N 70 117.327 121.298 -3.971 1
1 901 . 3 1 1 A 71 71 GLU H H 71 8.151 8.146 0.005 1
1 902 . 3 1 1 A 71 71 GLU HA H 71 3.930 4.115 -0.185 1
1 907 . 3 1 1 A 71 71 GLU C C 71 173.127 178.901 -5.774 1
1 908 . 3 1 1 A 71 71 GLU CA C 71 61.000 59.654 1.346 1
1 909 . 3 1 1 A 71 71 GLU CB C 71 31.639 29.540 2.099 1
1 911 . 3 1 1 A 71 71 GLU N N 71 120.925 119.838 1.087 1
1 912 . 3 1 1 A 72 72 TYR H H 72 8.454 7.856 0.598 1
1 913 . 3 1 1 A 72 72 TYR HA H 72 4.047 4.376 -0.329 1
1 920 . 3 1 1 A 72 72 TYR C C 72 177.227 178.069 -0.842 1
1 921 . 3 1 1 A 72 72 TYR CA C 72 62.068 61.216 0.852 1
1 922 . 3 1 1 A 72 72 TYR CB C 72 39.522 38.797 0.725 1
1 923 . 3 1 1 A 72 72 TYR N N 72 123.271 122.511 0.760 1
1 924 . 3 1 1 A 73 73 SER H H 73 7.990 8.674 -0.684 1
1 925 . 3 1 1 A 73 73 SER HA H 73 3.245 4.033 -0.788 1
1 928 . 3 1 1 A 73 73 SER C C 73 174.327 176.617 -2.290 1
1 929 . 3 1 1 A 73 73 SER CA C 73 62.841 61.425 1.416 1
1 930 . 3 1 1 A 73 73 SER CB C 73 64.317 62.591 1.726 1
1 931 . 3 1 1 A 73 73 SER N N 73 115.432 114.510 0.922 1
1 932 . 3 1 1 A 74 74 VAL H H 74 8.112 7.975 0.137 1
1 933 . 3 1 1 A 74 74 VAL HA H 74 3.375 3.823 -0.448 1
1 941 . 3 1 1 A 74 74 VAL C C 74 174.427 178.279 -3.852 1
1 942 . 3 1 1 A 74 74 VAL CA C 74 68.677 65.958 2.719 1
1 943 . 3 1 1 A 74 74 VAL CB C 74 33.164 31.433 1.731 1
1 946 . 3 1 1 A 74 74 VAL N N 74 123.807 119.077 4.730 1
1 947 . 3 1 1 A 75 75 PHE H H 75 8.149 8.620 -0.471 1
1 948 . 3 1 1 A 75 75 PHE HA H 75 3.878 4.201 -0.323 1
1 955 . 3 1 1 A 75 75 PHE C C 75 174.627 176.816 -2.189 1
1 956 . 3 1 1 A 75 75 PHE CA C 75 64.444 61.221 3.223 1
1 957 . 3 1 1 A 75 75 PHE CB C 75 40.823 39.319 1.504 1
1 958 . 3 1 1 A 75 75 PHE N N 75 122.351 123.934 -1.583 1
1 959 . 3 1 1 A 76 76 LEU H H 76 8.141 8.473 -0.332 1
1 960 . 3 1 1 A 76 76 LEU HA H 76 3.648 4.019 -0.371 1
1 970 . 3 1 1 A 76 76 LEU C C 76 173.327 179.779 -6.452 1
1 971 . 3 1 1 A 76 76 LEU CA C 76 59.810 57.867 1.943 1
1 972 . 3 1 1 A 76 76 LEU CB C 76 42.994 41.374 1.620 1
1 976 . 3 1 1 A 76 76 LEU N N 76 116.801 119.386 -2.585 1
1 977 . 3 1 1 A 77 77 THR H H 77 8.005 8.077 -0.072 1
1 978 . 3 1 1 A 77 77 THR HA H 77 3.561 3.851 -0.290 1
1 984 . 3 1 1 A 77 77 THR C C 77 176.427 176.786 -0.359 1
1 985 . 3 1 1 A 77 77 THR CA C 77 69.876 66.382 3.494 1
1 986 . 3 1 1 A 77 77 THR CB C 77 71.163 68.617 2.546 1
1 988 . 3 1 1 A 77 77 THR N N 77 116.415 115.849 0.566 1
1 989 . 3 1 1 A 78 78 MET H H 78 8.059 8.454 -0.395 1
1 990 . 3 1 1 A 78 78 MET HA H 78 3.771 4.096 -0.325 1
1 995 . 3 1 1 A 78 78 MET C C 78 172.927 178.326 -5.399 1
1 996 . 3 1 1 A 78 78 MET CA C 78 60.751 58.443 2.308 1
1 997 . 3 1 1 A 78 78 MET CB C 78 33.255 31.791 1.464 1
1 999 . 3 1 1 A 78 78 MET N N 78 120.960 118.382 2.578 1
1 1000 . 3 1 1 A 79 79 LEU H H 79 8.007 8.330 -0.323 1
1 1001 . 3 1 1 A 79 79 LEU HA H 79 3.646 3.955 -0.309 1
1 1011 . 3 1 1 A 79 79 LEU C C 79 174.527 178.230 -3.703 1
1 1012 . 3 1 1 A 79 79 LEU CA C 79 59.756 57.918 1.838 1
1 1013 . 3 1 1 A 79 79 LEU CB C 79 42.961 41.540 1.421 1
1 1017 . 3 1 1 A 79 79 LEU N N 79 120.772 121.367 -0.595 1
1 1018 . 3 1 1 A 80 80 CYS H H 80 8.268 8.286 -0.018 1
1 1019 . 3 1 1 A 80 80 CYS HA H 80 3.344 3.324 0.020 1
1 1022 . 3 1 1 A 80 80 CYS C C 80 176.127 176.839 -0.712 1
1 1023 . 3 1 1 A 80 80 CYS CA C 80 64.083 62.475 1.608 1
1 1024 . 3 1 1 A 80 80 CYS CB C 80 28.199 26.772 1.427 1
1 1025 . 3 1 1 A 80 80 CYS N N 80 118.257 117.870 0.387 1
1 1026 . 3 1 1 A 81 81 MET H H 81 7.600 7.819 -0.219 1
1 1027 . 3 1 1 A 81 81 MET HA H 81 3.242 4.151 -0.909 1
1 1035 . 3 1 1 A 81 81 MET C C 81 176.227 177.242 -1.015 1
1 1036 . 3 1 1 A 81 81 MET CA C 81 60.091 57.938 2.153 1
1 1037 . 3 1 1 A 81 81 MET CB C 81 34.090 32.282 1.808 1
1 1040 . 3 1 1 A 81 81 MET N N 81 114.515 119.927 -5.412 1
1 1041 . 3 1 1 A 82 82 ALA H H 82 7.299 7.440 -0.141 1
1 1042 . 3 1 1 A 82 82 ALA HA H 82 4.121 4.237 -0.116 1
1 1046 . 3 1 1 A 82 82 ALA C C 82 173.827 177.334 -3.507 1
1 1047 . 3 1 1 A 82 82 ALA CA C 82 54.930 52.855 2.075 1
1 1048 . 3 1 1 A 82 82 ALA CB C 82 20.641 18.651 1.990 1
1 1049 . 3 1 1 A 82 82 ALA N N 82 118.977 120.269 -1.292 1
1 1050 . 3 1 1 A 83 83 TYR H H 83 7.623 7.177 0.446 1
1 1051 . 3 1 1 A 83 83 TYR HA H 83 4.771 4.741 0.030 1
1 1058 . 3 1 1 A 83 83 TYR CA C 83 59.333 57.211 2.122 1
1 1059 . 3 1 1 A 83 83 TYR CB C 83 41.599 40.368 1.231 1
1 1060 . 3 1 1 A 83 83 TYR N N 83 113.311 114.541 -1.230 1
1 1061 . 3 1 1 A 84 84 ASN HA H 84 4.534 4.323 0.211 1
1 1064 . 3 1 1 A 84 84 ASN CA C 84 56.126 53.362 2.764 1
1 1065 . 3 1 1 A 84 84 ASN CB C 84 41.990 37.117 4.873 1
1 1066 . 3 1 1 A 85 85 ASP H H 85 8.681 8.059 0.622 1
1 1067 . 3 1 1 A 85 85 ASP HA H 85 4.086 4.505 -0.419 1
1 1070 . 3 1 1 A 85 85 ASP CA C 85 58.457 56.410 2.047 1
1 1071 . 3 1 1 A 85 85 ASP CB C 85 42.260 40.610 1.650 1
1 1072 . 3 1 1 A 85 85 ASP N N 85 126.079 120.721 5.358 1
1 1073 . 3 1 1 A 86 86 PHE H H 86 8.672 7.685 0.987 1
1 1074 . 3 1 1 A 86 86 PHE HA H 86 3.744 4.052 -0.308 1
1 1081 . 3 1 1 A 86 86 PHE C C 86 176.827 176.701 0.126 1
1 1082 . 3 1 1 A 86 86 PHE CA C 86 62.903 60.396 2.507 1
1 1083 . 3 1 1 A 86 86 PHE CB C 86 41.596 39.138 2.458 1
1 1084 . 3 1 1 A 86 86 PHE N N 86 121.950 121.214 0.736 1
1 1085 . 3 1 1 A 87 87 PHE H H 87 7.225 7.501 -0.276 1
1 1086 . 3 1 1 A 87 87 PHE HA H 87 3.836 4.687 -0.851 1
1 1093 . 3 1 1 A 87 87 PHE C C 87 176.927 174.757 2.170 1
1 1094 . 3 1 1 A 87 87 PHE CA C 87 60.422 57.168 3.254 1
1 1095 . 3 1 1 A 87 87 PHE CB C 87 41.081 38.889 2.192 1
1 1096 . 3 1 1 A 87 87 PHE N N 87 110.928 115.124 -4.196 1
1 1097 . 3 1 1 A 88 88 LEU H H 88 7.130 7.534 -0.404 1
1 1098 . 3 1 1 A 88 88 LEU HA H 88 4.169 4.872 -0.703 1
1 1108 . 3 1 1 A 88 88 LEU C C 88 175.027 176.417 -1.390 1
1 1109 . 3 1 1 A 88 88 LEU CA C 88 56.962 53.575 3.387 1
1 1110 . 3 1 1 A 88 88 LEU CB C 88 44.199 45.797 -1.598 1
1 1114 . 3 1 1 A 88 88 LEU N N 88 119.732 119.747 -0.015 1
1 1115 . 3 1 1 A 89 89 GLU H H 89 8.097 8.907 -0.810 1
1 1116 . 3 1 1 A 89 89 GLU HA H 89 4.087 4.425 -0.338 1
1 1121 . 3 1 1 A 89 89 GLU C C 89 176.427 175.791 0.636 1
1 1122 . 3 1 1 A 89 89 GLU CA C 89 58.216 56.164 2.052 1
1 1123 . 3 1 1 A 89 89 GLU CB C 89 32.309 29.979 2.330 1
1 1125 . 3 1 1 A 89 89 GLU N N 89 121.626 121.702 -0.076 1
1 1126 . 3 1 1 A 90 90 ASP H H 90 8.243 8.130 0.113 1
1 1127 . 3 1 1 A 90 90 ASP HA H 90 4.425 4.312 0.113 1
1 1130 . 3 1 1 A 90 90 ASP C C 90 176.527 176.414 0.113 1
1 1131 . 3 1 1 A 90 90 ASP CA C 90 55.815 55.503 0.312 1
1 1132 . 3 1 1 A 90 90 ASP CB C 90 42.874 40.586 2.288 1
1 1133 . 3 1 1 A 90 90 ASP N N 90 121.280 118.460 2.820 1
1 1134 . 3 1 1 A 91 91 ASN H H 91 8.267 8.371 -0.104 1
1 1135 . 3 1 1 A 91 91 ASN HA H 91 4.563 4.705 -0.142 1
1 1140 . 3 1 1 A 91 91 ASN C C 91 178.127 175.298 2.829 1
1 1141 . 3 1 1 A 91 91 ASN CA C 91 54.928 53.501 1.427 1
1 1142 . 3 1 1 A 91 91 ASN CB C 91 40.529 38.444 2.085 1
1 1143 . 3 1 1 A 91 91 ASN N N 91 119.209 116.742 2.467 1
1 14 . 4 1 1 A 2 2 GLU H H 2 8.722 8.604 0.118 1
1 15 . 4 1 1 A 2 2 GLU HA H 2 4.557 5.354 -0.797 1
1 20 . 4 1 1 A 2 2 GLU C C 2 175.827 175.017 0.810 1
1 21 . 4 1 1 A 2 2 GLU CA C 2 58.063 55.116 2.947 1
1 22 . 4 1 1 A 2 2 GLU CB C 2 33.147 33.675 -0.528 1
1 24 . 4 1 1 A 2 2 GLU N N 2 124.627 123.737 0.890 1
1 25 . 4 1 1 A 3 3 THR H H 3 8.670 8.636 0.034 1
1 26 . 4 1 1 A 3 3 THR HA H 3 4.616 5.021 -0.405 1
1 31 . 4 1 1 A 3 3 THR CA C 3 61.734 58.461 3.273 1
1 32 . 4 1 1 A 3 3 THR CB C 3 70.590 70.073 0.517 1
1 34 . 4 1 1 A 3 3 THR N N 3 116.274 117.013 -0.739 1
1 35 . 4 1 1 A 4 4 PRO HA H 4 4.161 4.162 -0.001 1
1 42 . 4 1 1 A 4 4 PRO C C 4 172.227 177.796 -5.569 1
1 43 . 4 1 1 A 4 4 PRO CA C 4 68.211 65.930 2.281 1
1 44 . 4 1 1 A 4 4 PRO CB C 4 33.796 31.552 2.244 1
1 47 . 4 1 1 A 5 5 LEU H H 5 9.207 7.673 1.534 1
1 48 . 4 1 1 A 5 5 LEU HA H 5 4.038 4.037 0.001 1
1 58 . 4 1 1 A 5 5 LEU C C 5 174.327 178.289 -3.962 1
1 59 . 4 1 1 A 5 5 LEU CA C 5 59.483 57.315 2.168 1
1 60 . 4 1 1 A 5 5 LEU CB C 5 43.877 41.772 2.105 1
1 64 . 4 1 1 A 5 5 LEU N N 5 119.157 117.114 2.043 1
1 65 . 4 1 1 A 6 6 GLU H H 6 7.661 7.754 -0.093 1
1 66 . 4 1 1 A 6 6 GLU HA H 6 3.755 3.966 -0.211 1
1 71 . 4 1 1 A 6 6 GLU C C 6 172.727 178.449 -5.722 1
1 72 . 4 1 1 A 6 6 GLU CA C 6 61.953 59.413 2.540 1
1 73 . 4 1 1 A 6 6 GLU CB C 6 31.354 29.480 1.874 1
1 75 . 4 1 1 A 6 6 GLU N N 6 119.837 119.045 0.792 1
1 76 . 4 1 1 A 7 7 LYS H H 7 8.430 7.890 0.540 1
1 77 . 4 1 1 A 7 7 LYS HA H 7 3.921 4.117 -0.196 1
1 86 . 4 1 1 A 7 7 LYS C C 7 172.927 178.697 -5.770 1
1 87 . 4 1 1 A 7 7 LYS CA C 7 61.312 58.608 2.704 1
1 88 . 4 1 1 A 7 7 LYS CB C 7 33.861 31.914 1.947 1
1 92 . 4 1 1 A 7 7 LYS N N 7 119.023 119.775 -0.752 1
1 93 . 4 1 1 A 8 8 ALA H H 8 8.079 8.167 -0.088 1
1 94 . 4 1 1 A 8 8 ALA HA H 8 4.085 4.067 0.018 1
1 98 . 4 1 1 A 8 8 ALA C C 8 173.027 180.117 -7.090 1
1 99 . 4 1 1 A 8 8 ALA CA C 8 56.967 55.200 1.767 1
1 100 . 4 1 1 A 8 8 ALA CB C 8 20.140 18.694 1.446 1
1 101 . 4 1 1 A 8 8 ALA N N 8 123.824 122.514 1.310 1
1 102 . 4 1 1 A 9 9 LEU H H 9 8.032 8.196 -0.164 1
1 103 . 4 1 1 A 9 9 LEU HA H 9 4.061 4.007 0.054 1
1 113 . 4 1 1 A 9 9 LEU C C 9 172.527 179.362 -6.835 1
1 114 . 4 1 1 A 9 9 LEU CA C 9 60.071 58.082 1.989 1
1 115 . 4 1 1 A 9 9 LEU CB C 9 42.714 41.441 1.273 1
1 119 . 4 1 1 A 9 9 LEU N N 9 118.643 118.135 0.508 1
1 120 . 4 1 1 A 10 10 THR H H 10 8.686 7.674 1.012 1
1 121 . 4 1 1 A 10 10 THR HA H 10 3.798 3.927 -0.129 1
1 126 . 4 1 1 A 10 10 THR C C 10 175.127 176.831 -1.704 1
1 127 . 4 1 1 A 10 10 THR CA C 10 69.282 66.748 2.534 1
1 128 . 4 1 1 A 10 10 THR CB C 10 70.132 68.765 1.367 1
1 130 . 4 1 1 A 10 10 THR N N 10 117.087 116.090 0.997 1
1 131 . 4 1 1 A 11 11 THR H H 11 8.628 8.425 0.203 1
1 132 . 4 1 1 A 11 11 THR HA H 11 3.961 3.965 -0.004 1
1 137 . 4 1 1 A 11 11 THR C C 11 174.427 176.905 -2.478 1
1 138 . 4 1 1 A 11 11 THR CA C 11 68.408 66.817 1.591 1
1 139 . 4 1 1 A 11 11 THR CB C 11 69.107 68.582 0.525 1
1 141 . 4 1 1 A 11 11 THR N N 11 120.770 117.078 3.692 1
1 142 . 4 1 1 A 12 12 MET H H 12 8.390 8.588 -0.198 1
1 143 . 4 1 1 A 12 12 MET HA H 12 3.956 4.428 -0.472 1
1 151 . 4 1 1 A 12 12 MET C C 12 175.127 178.518 -3.391 1
1 152 . 4 1 1 A 12 12 MET CA C 12 62.750 58.174 4.576 1
1 153 . 4 1 1 A 12 12 MET CB C 12 34.952 32.413 2.539 1
1 156 . 4 1 1 A 12 12 MET N N 12 124.388 119.045 5.343 1
1 157 . 4 1 1 A 13 13 VAL H H 13 8.104 8.518 -0.414 1
1 158 . 4 1 1 A 13 13 VAL HA H 13 3.576 4.262 -0.686 1
1 166 . 4 1 1 A 13 13 VAL C C 13 175.327 178.213 -2.886 1
1 167 . 4 1 1 A 13 13 VAL CA C 13 68.958 66.060 2.898 1
1 168 . 4 1 1 A 13 13 VAL CB C 13 33.703 31.520 2.183 1
1 171 . 4 1 1 A 13 13 VAL N N 13 121.753 117.035 4.718 1
1 172 . 4 1 1 A 14 14 THR H H 14 9.186 8.334 0.852 1
1 173 . 4 1 1 A 14 14 THR HA H 14 3.774 4.066 -0.292 1
1 178 . 4 1 1 A 14 14 THR C C 14 173.927 176.808 -2.881 1
1 179 . 4 1 1 A 14 14 THR CA C 14 67.955 66.114 1.841 1
1 180 . 4 1 1 A 14 14 THR CB C 14 70.504 68.771 1.733 1
1 182 . 4 1 1 A 14 14 THR N N 14 114.911 116.307 -1.396 1
1 183 . 4 1 1 A 15 15 THR H H 15 8.453 8.458 -0.005 1
1 184 . 4 1 1 A 15 15 THR HA H 15 3.859 4.233 -0.374 1
1 190 . 4 1 1 A 15 15 THR C C 15 178.127 176.852 1.275 1
1 191 . 4 1 1 A 15 15 THR CA C 15 69.609 65.947 3.662 1
1 192 . 4 1 1 A 15 15 THR CB C 15 70.511 68.270 2.241 1
1 194 . 4 1 1 A 15 15 THR N N 15 118.791 112.353 6.438 1
1 195 . 4 1 1 A 16 16 PHE H H 16 7.207 8.642 -1.435 1
1 196 . 4 1 1 A 16 16 PHE HA H 16 3.572 4.065 -0.493 1
1 203 . 4 1 1 A 16 16 PHE C C 16 178.527 177.631 0.896 1
1 204 . 4 1 1 A 16 16 PHE CA C 16 64.090 61.472 2.618 1
1 205 . 4 1 1 A 16 16 PHE CB C 16 41.091 38.826 2.265 1
1 206 . 4 1 1 A 16 16 PHE N N 16 121.331 123.956 -2.625 1
1 207 . 4 1 1 A 17 17 HIS H H 17 8.393 8.293 0.100 1
1 208 . 4 1 1 A 17 17 HIS HA H 17 5.329 4.471 0.858 1
1 211 . 4 1 1 A 17 17 HIS C C 17 174.627 177.312 -2.685 1
1 212 . 4 1 1 A 17 17 HIS CA C 17 56.667 59.551 -2.884 1
1 213 . 4 1 1 A 17 17 HIS CB C 17 32.397 30.165 2.232 1
1 214 . 4 1 1 A 17 17 HIS N N 17 117.858 118.607 -0.749 1
1 215 . 4 1 1 A 18 18 LYS H H 18 7.767 8.481 -0.714 1
1 216 . 4 1 1 A 18 18 LYS HA H 18 3.553 3.815 -0.262 1
1 225 . 4 1 1 A 18 18 LYS C C 18 175.527 177.235 -1.708 1
1 226 . 4 1 1 A 18 18 LYS CA C 18 61.301 58.828 2.473 1
1 227 . 4 1 1 A 18 18 LYS CB C 18 33.523 32.036 1.487 1
1 231 . 4 1 1 A 18 18 LYS N N 18 120.691 118.590 2.101 1
1 232 . 4 1 1 A 19 19 TYR H H 19 7.079 7.613 -0.534 1
1 233 . 4 1 1 A 19 19 TYR HA H 19 3.993 4.618 -0.625 1
1 240 . 4 1 1 A 19 19 TYR C C 19 174.227 176.785 -2.558 1
1 241 . 4 1 1 A 19 19 TYR CA C 19 61.287 58.372 2.915 1
1 242 . 4 1 1 A 19 19 TYR CB C 19 42.066 40.064 2.002 1
1 243 . 4 1 1 A 19 19 TYR N N 19 114.592 116.533 -1.941 1
1 244 . 4 1 1 A 20 20 SER H H 20 9.708 8.094 1.614 1
1 245 . 4 1 1 A 20 20 SER HA H 20 4.117 4.065 0.052 1
1 248 . 4 1 1 A 20 20 SER C C 20 175.227 176.874 -1.647 1
1 249 . 4 1 1 A 20 20 SER CA C 20 60.135 60.575 -0.440 1
1 250 . 4 1 1 A 20 20 SER CB C 20 63.159 63.015 0.144 1
1 251 . 4 1 1 A 20 20 SER N N 20 121.764 114.371 7.393 1
1 252 . 4 1 1 A 21 21 GLY H H 21 8.146 7.997 0.149 1
1 253 . 4 1 1 A 21 21 GLY HA2 H 21 3.956 3.893 0.063 1
1 254 . 4 1 1 A 21 21 GLY HA3 H 21 3.571 4.009 -0.438 1
1 255 . 4 1 1 A 21 21 GLY C C 21 177.927 175.308 2.619 1
1 256 . 4 1 1 A 21 21 GLY CA C 21 46.646 45.624 1.022 1
1 257 . 4 1 1 A 21 21 GLY N N 21 106.982 109.441 -2.459 1
1 258 . 4 1 1 A 22 22 ARG H H 22 7.007 7.924 -0.917 1
1 259 . 4 1 1 A 22 22 ARG HA H 22 3.815 4.220 -0.405 1
1 266 . 4 1 1 A 22 22 ARG C C 22 175.927 176.347 -0.420 1
1 267 . 4 1 1 A 22 22 ARG CA C 22 60.766 58.069 2.697 1
1 268 . 4 1 1 A 22 22 ARG CB C 22 32.302 30.906 1.396 1
1 271 . 4 1 1 A 22 22 ARG N N 22 118.055 118.387 -0.332 1
1 272 . 4 1 1 A 23 23 GLU H H 23 7.551 7.959 -0.408 1
1 273 . 4 1 1 A 23 23 GLU HA H 23 4.436 4.615 -0.179 1
1 278 . 4 1 1 A 23 23 GLU C C 23 177.727 177.758 -0.031 1
1 279 . 4 1 1 A 23 23 GLU CA C 23 56.853 54.307 2.546 1
1 280 . 4 1 1 A 23 23 GLU CB C 23 33.988 31.249 2.739 1
1 282 . 4 1 1 A 23 23 GLU N N 23 114.631 118.700 -4.069 1
1 283 . 4 1 1 A 24 24 GLY H H 24 8.376 8.450 -0.074 1
1 284 . 4 1 1 A 24 24 GLY HA2 H 24 3.771 3.743 0.028 1
1 285 . 4 1 1 A 24 24 GLY HA3 H 24 3.567 3.791 -0.224 1
1 286 . 4 1 1 A 24 24 GLY C C 24 177.127 173.607 3.520 1
1 287 . 4 1 1 A 24 24 GLY CA C 24 47.718 46.367 1.351 1
1 288 . 4 1 1 A 24 24 GLY N N 24 107.626 110.101 -2.475 1
1 289 . 4 1 1 A 25 25 SER H H 25 8.443 7.705 0.738 1
1 290 . 4 1 1 A 25 25 SER HA H 25 4.314 4.850 -0.536 1
1 293 . 4 1 1 A 25 25 SER C C 25 175.527 172.618 2.909 1
1 294 . 4 1 1 A 25 25 SER CA C 25 59.146 56.980 2.166 1
1 295 . 4 1 1 A 25 25 SER CB C 25 65.573 65.024 0.549 1
1 296 . 4 1 1 A 25 25 SER N N 25 119.000 114.010 4.990 1
1 297 . 4 1 1 A 26 26 LYS H H 26 8.821 8.788 0.033 1
1 298 . 4 1 1 A 26 26 LYS HA H 26 4.307 4.432 -0.125 1
1 307 . 4 1 1 A 26 26 LYS C C 26 176.027 177.401 -1.374 1
1 308 . 4 1 1 A 26 26 LYS CA C 26 59.180 56.102 3.078 1
1 309 . 4 1 1 A 26 26 LYS CB C 26 33.211 32.891 0.320 1
1 313 . 4 1 1 A 26 26 LYS N N 26 126.125 125.841 0.284 1
1 314 . 4 1 1 A 27 27 LEU H H 27 8.237 7.310 0.927 1
1 315 . 4 1 1 A 27 27 LEU HA H 27 4.534 4.656 -0.122 1
1 325 . 4 1 1 A 27 27 LEU C C 27 175.627 176.628 -1.001 1
1 326 . 4 1 1 A 27 27 LEU CA C 27 56.384 54.927 1.457 1
1 327 . 4 1 1 A 27 27 LEU CB C 27 44.218 43.871 0.347 1
1 331 . 4 1 1 A 27 27 LEU N N 27 117.484 117.004 0.480 1
1 332 . 4 1 1 A 28 28 THR H H 28 7.386 7.710 -0.324 1
1 333 . 4 1 1 A 28 28 THR HA H 28 5.517 5.745 -0.228 1
1 338 . 4 1 1 A 28 28 THR C C 28 180.227 172.751 7.476 1
1 339 . 4 1 1 A 28 28 THR CA C 28 61.014 60.256 0.758 1
1 340 . 4 1 1 A 28 28 THR CB C 28 75.348 72.583 2.765 1
1 342 . 4 1 1 A 28 28 THR N N 28 106.230 109.106 -2.876 1
1 343 . 4 1 1 A 29 29 LEU H H 29 8.721 8.543 0.178 1
1 344 . 4 1 1 A 29 29 LEU HA H 29 4.713 4.797 -0.084 1
1 354 . 4 1 1 A 29 29 LEU C C 29 176.927 175.684 1.243 1
1 355 . 4 1 1 A 29 29 LEU CA C 29 55.163 53.727 1.436 1
1 356 . 4 1 1 A 29 29 LEU CB C 29 46.059 44.483 1.576 1
1 360 . 4 1 1 A 29 29 LEU N N 29 116.728 118.286 -1.558 1
1 361 . 4 1 1 A 30 30 SER H H 30 8.866 8.435 0.431 1
1 362 . 4 1 1 A 30 30 SER HA H 30 4.942 4.586 0.356 1
1 365 . 4 1 1 A 30 30 SER C C 30 176.327 175.503 0.824 1
1 366 . 4 1 1 A 30 30 SER CA C 30 59.032 59.020 0.012 1
1 367 . 4 1 1 A 30 30 SER CB C 30 67.150 63.578 3.572 1
1 368 . 4 1 1 A 30 30 SER N N 30 117.110 116.805 0.305 1
1 369 . 4 1 1 A 31 31 ARG H H 31 8.393 8.476 -0.083 1
1 370 . 4 1 1 A 31 31 ARG HA H 31 3.695 3.930 -0.235 1
1 377 . 4 1 1 A 31 31 ARG C C 31 174.127 178.199 -4.072 1
1 378 . 4 1 1 A 31 31 ARG CA C 31 62.776 59.880 2.896 1
1 379 . 4 1 1 A 31 31 ARG CB C 31 31.601 29.734 1.867 1
1 382 . 4 1 1 A 31 31 ARG N N 31 121.109 124.628 -3.519 1
1 383 . 4 1 1 A 32 32 LYS H H 32 8.264 8.016 0.248 1
1 384 . 4 1 1 A 32 32 LYS HA H 32 3.912 4.081 -0.169 1
1 393 . 4 1 1 A 32 32 LYS C C 32 172.827 179.077 -6.250 1
1 394 . 4 1 1 A 32 32 LYS CA C 32 61.591 59.688 1.903 1
1 395 . 4 1 1 A 32 32 LYS CB C 32 34.116 32.317 1.799 1
1 399 . 4 1 1 A 32 32 LYS N N 32 118.536 119.587 -1.051 1
1 400 . 4 1 1 A 33 33 GLU H H 33 7.790 7.986 -0.196 1
1 401 . 4 1 1 A 33 33 GLU HA H 33 4.049 4.083 -0.034 1
1 406 . 4 1 1 A 33 33 GLU C C 33 174.327 178.361 -4.034 1
1 407 . 4 1 1 A 33 33 GLU CA C 33 60.634 58.896 1.738 1
1 408 . 4 1 1 A 33 33 GLU CB C 33 31.617 29.304 2.313 1
1 410 . 4 1 1 A 33 33 GLU N N 33 121.557 119.969 1.588 1
1 411 . 4 1 1 A 34 34 LEU H H 34 8.388 7.824 0.564 1
1 412 . 4 1 1 A 34 34 LEU HA H 34 3.844 3.805 0.039 1
1 422 . 4 1 1 A 34 34 LEU C C 34 174.927 178.471 -3.544 1
1 423 . 4 1 1 A 34 34 LEU CA C 34 59.173 57.407 1.766 1
1 424 . 4 1 1 A 34 34 LEU CB C 34 42.053 41.505 0.548 1
1 428 . 4 1 1 A 34 34 LEU N N 34 120.999 121.192 -0.193 1
1 429 . 4 1 1 A 35 35 LYS H H 35 7.817 7.717 0.100 1
1 430 . 4 1 1 A 35 35 LYS HA H 35 3.478 3.797 -0.319 1
1 439 . 4 1 1 A 35 35 LYS C C 35 174.627 177.978 -3.351 1
1 440 . 4 1 1 A 35 35 LYS CA C 35 62.312 59.166 3.146 1
1 441 . 4 1 1 A 35 35 LYS CB C 35 33.814 32.336 1.478 1
1 445 . 4 1 1 A 35 35 LYS N N 35 118.738 118.946 -0.208 1
1 446 . 4 1 1 A 36 36 GLU H H 36 7.208 7.676 -0.468 1
1 447 . 4 1 1 A 36 36 GLU HA H 36 3.801 4.030 -0.229 1
1 452 . 4 1 1 A 36 36 GLU C C 36 175.227 178.507 -3.280 1
1 453 . 4 1 1 A 36 36 GLU CA C 36 61.015 58.565 2.450 1
1 454 . 4 1 1 A 36 36 GLU CB C 36 30.770 29.631 1.139 1
1 456 . 4 1 1 A 36 36 GLU N N 36 118.771 119.336 -0.565 1
1 457 . 4 1 1 A 37 37 LEU H H 37 8.038 7.843 0.195 1
1 458 . 4 1 1 A 37 37 LEU HA H 37 3.178 2.929 0.249 1
1 468 . 4 1 1 A 37 37 LEU C C 37 172.927 177.982 -5.055 1
1 469 . 4 1 1 A 37 37 LEU CA C 37 60.915 57.860 3.055 1
1 470 . 4 1 1 A 37 37 LEU CB C 37 43.352 41.138 2.214 1
1 474 . 4 1 1 A 37 37 LEU N N 37 121.767 120.714 1.053 1
1 475 . 4 1 1 A 38 38 ILE H H 38 8.224 7.938 0.286 1
1 476 . 4 1 1 A 38 38 ILE HA H 38 3.234 3.674 -0.440 1
1 486 . 4 1 1 A 38 38 ILE C C 38 174.727 177.486 -2.759 1
1 487 . 4 1 1 A 38 38 ILE CA C 38 66.464 64.930 1.534 1
1 488 . 4 1 1 A 38 38 ILE CB C 38 38.799 37.738 1.061 1
1 492 . 4 1 1 A 38 38 ILE N N 38 119.417 119.954 -0.537 1
1 493 . 4 1 1 A 39 39 LYS H H 39 7.700 7.629 0.071 1
1 494 . 4 1 1 A 39 39 LYS HA H 39 3.894 4.283 -0.389 1
1 503 . 4 1 1 A 39 39 LYS C C 39 173.727 177.630 -3.903 1
1 504 . 4 1 1 A 39 39 LYS CA C 39 61.015 57.251 3.764 1
1 505 . 4 1 1 A 39 39 LYS CB C 39 34.100 32.514 1.586 1
1 509 . 4 1 1 A 39 39 LYS N N 39 117.277 119.776 -2.499 1
1 510 . 4 1 1 A 40 40 LYS H H 40 8.170 7.832 0.338 1
1 511 . 4 1 1 A 40 40 LYS HA H 40 4.226 4.297 -0.071 1
1 520 . 4 1 1 A 40 40 LYS C C 40 173.427 178.585 -5.158 1
1 521 . 4 1 1 A 40 40 LYS CA C 40 59.251 58.766 0.485 1
1 522 . 4 1 1 A 40 40 LYS CB C 40 35.528 33.365 2.163 1
1 526 . 4 1 1 A 40 40 LYS N N 40 115.146 118.906 -3.760 1
1 527 . 4 1 1 A 41 41 GLU H H 41 8.778 7.925 0.853 1
1 528 . 4 1 1 A 41 41 GLU HA H 41 4.629 4.330 0.299 1
1 533 . 4 1 1 A 41 41 GLU C C 41 175.527 176.254 -0.727 1
1 534 . 4 1 1 A 41 41 GLU CA C 41 57.177 57.523 -0.346 1
1 535 . 4 1 1 A 41 41 GLU CB C 41 31.656 30.283 1.373 1
1 537 . 4 1 1 A 41 41 GLU N N 41 113.604 117.120 -3.516 1
1 538 . 4 1 1 A 42 42 LEU H H 42 7.610 7.616 -0.006 1
1 539 . 4 1 1 A 42 42 LEU HA H 42 4.475 4.779 -0.304 1
1 549 . 4 1 1 A 42 42 LEU C C 42 177.227 175.079 2.148 1
1 550 . 4 1 1 A 42 42 LEU CA C 42 56.047 54.298 1.749 1
1 551 . 4 1 1 A 42 42 LEU CB C 42 45.748 45.270 0.478 1
1 555 . 4 1 1 A 42 42 LEU N N 42 118.997 119.350 -0.353 1
1 556 . 4 1 1 A 43 43 CYS H H 43 8.501 8.964 -0.463 1
1 557 . 4 1 1 A 43 43 CYS HA H 43 4.397 4.436 -0.039 1
1 560 . 4 1 1 A 43 43 CYS C C 43 177.327 174.547 2.780 1
1 561 . 4 1 1 A 43 43 CYS CA C 43 60.023 59.211 0.812 1
1 562 . 4 1 1 A 43 43 CYS CB C 43 27.915 27.501 0.414 1
1 563 . 4 1 1 A 43 43 CYS N N 43 119.622 125.373 -5.751 1
1 564 . 4 1 1 A 44 44 LEU H H 44 8.200 8.490 -0.290 1
1 565 . 4 1 1 A 44 44 LEU HA H 44 3.979 4.870 -0.891 1
1 575 . 4 1 1 A 44 44 LEU C C 44 173.927 177.442 -3.515 1
1 576 . 4 1 1 A 44 44 LEU CA C 44 57.244 54.349 2.895 1
1 577 . 4 1 1 A 44 44 LEU CB C 44 43.622 43.303 0.319 1
1 581 . 4 1 1 A 44 44 LEU N N 44 121.955 128.024 -6.069 1
1 582 . 4 1 1 A 45 45 GLY H H 45 8.244 8.333 -0.089 1
1 583 . 4 1 1 A 45 45 GLY HA2 H 45 3.849 3.956 -0.107 1
1 584 . 4 1 1 A 45 45 GLY HA3 H 45 3.789 3.999 -0.210 1
1 585 . 4 1 1 A 45 45 GLY C C 45 178.027 174.646 3.381 1
1 586 . 4 1 1 A 45 45 GLY CA C 45 47.023 46.228 0.795 1
1 587 . 4 1 1 A 45 45 GLY N N 45 107.702 108.962 -1.260 1
1 588 . 4 1 1 A 46 46 GLU H H 46 8.286 7.949 0.337 1
1 589 . 4 1 1 A 46 46 GLU HA H 46 4.039 4.538 -0.499 1
1 594 . 4 1 1 A 46 46 GLU C C 46 175.127 177.306 -2.179 1
1 595 . 4 1 1 A 46 46 GLU CA C 46 59.176 57.154 2.022 1
1 596 . 4 1 1 A 46 46 GLU CB C 46 31.361 31.457 -0.096 1
1 598 . 4 1 1 A 46 46 GLU N N 46 119.602 115.990 3.612 1
1 599 . 4 1 1 A 47 47 MET H H 47 8.048 8.255 -0.207 1
1 600 . 4 1 1 A 47 47 MET HA H 47 4.229 4.437 -0.208 1
1 608 . 4 1 1 A 47 47 MET C C 47 175.727 176.423 -0.696 1
1 609 . 4 1 1 A 47 47 MET CA C 47 58.183 56.882 1.301 1
1 610 . 4 1 1 A 47 47 MET CB C 47 34.087 32.268 1.819 1
1 613 . 4 1 1 A 47 47 MET N N 47 119.617 118.850 0.767 1
1 614 . 4 1 1 A 48 48 LYS H H 48 8.221 7.796 0.425 1
1 615 . 4 1 1 A 48 48 LYS HA H 48 4.217 4.608 -0.391 1
1 624 . 4 1 1 A 48 48 LYS C C 48 174.927 177.384 -2.457 1
1 625 . 4 1 1 A 48 48 LYS CA C 48 58.304 54.753 3.551 1
1 626 . 4 1 1 A 48 48 LYS CB C 48 34.548 33.740 0.808 1
1 630 . 4 1 1 A 48 48 LYS N N 48 120.987 118.730 2.257 1
1 631 . 4 1 1 A 49 49 GLU H H 49 8.346 8.881 -0.535 1
1 632 . 4 1 1 A 49 49 GLU HA H 49 3.922 4.258 -0.336 1
1 637 . 4 1 1 A 49 49 GLU C C 49 174.427 176.079 -1.652 1
1 638 . 4 1 1 A 49 49 GLU CA C 49 60.298 58.071 2.227 1
1 639 . 4 1 1 A 49 49 GLU CB C 49 31.065 30.059 1.006 1
1 641 . 4 1 1 A 49 49 GLU N N 49 121.867 120.391 1.476 1
1 642 . 4 1 1 A 50 50 SER H H 50 8.348 7.621 0.727 1
1 643 . 4 1 1 A 50 50 SER HA H 50 4.172 4.626 -0.454 1
1 647 . 4 1 1 A 50 50 SER C C 50 176.027 172.825 3.202 1
1 648 . 4 1 1 A 50 50 SER CA C 50 62.548 56.462 6.086 1
1 649 . 4 1 1 A 50 50 SER CB C 50 64.840 64.843 -0.003 1
1 650 . 4 1 1 A 50 50 SER N N 50 115.695 114.565 1.130 1
1 651 . 4 1 1 A 51 51 SER H H 51 7.980 8.733 -0.753 1
1 652 . 4 1 1 A 51 51 SER HA H 51 4.258 4.104 0.154 1
1 655 . 4 1 1 A 51 51 SER C C 51 174.427 174.492 -0.065 1
1 656 . 4 1 1 A 51 51 SER CA C 51 62.828 61.186 1.642 1
1 657 . 4 1 1 A 51 51 SER CB C 51 64.749 60.955 3.794 1
1 658 . 4 1 1 A 51 51 SER N N 51 117.126 115.602 1.524 1
1 659 . 4 1 1 A 52 52 ILE H H 52 7.365 8.180 -0.815 1
1 660 . 4 1 1 A 52 52 ILE HA H 52 4.038 3.932 0.106 1
1 670 . 4 1 1 A 52 52 ILE C C 52 175.627 177.586 -1.959 1
1 671 . 4 1 1 A 52 52 ILE CA C 52 64.609 63.763 0.846 1
1 672 . 4 1 1 A 52 52 ILE CB C 52 39.272 37.703 1.569 1
1 676 . 4 1 1 A 52 52 ILE N N 52 117.484 121.193 -3.709 1
1 677 . 4 1 1 A 53 53 ASP H H 53 7.681 8.225 -0.544 1
1 678 . 4 1 1 A 53 53 ASP HA H 53 4.214 4.565 -0.351 1
1 681 . 4 1 1 A 53 53 ASP C C 53 174.027 178.250 -4.223 1
1 682 . 4 1 1 A 53 53 ASP CA C 53 59.799 56.408 3.391 1
1 683 . 4 1 1 A 53 53 ASP CB C 53 42.927 40.561 2.366 1
1 684 . 4 1 1 A 53 53 ASP N N 53 121.969 121.978 -0.009 1
1 685 . 4 1 1 A 54 54 ASP H H 54 8.227 8.102 0.125 1
1 686 . 4 1 1 A 54 54 ASP HA H 54 4.231 4.399 -0.168 1
1 689 . 4 1 1 A 54 54 ASP C C 54 172.927 178.693 -5.766 1
1 690 . 4 1 1 A 54 54 ASP CA C 54 59.507 57.210 2.297 1
1 691 . 4 1 1 A 54 54 ASP CB C 54 41.818 40.963 0.855 1
1 692 . 4 1 1 A 54 54 ASP N N 54 118.083 119.541 -1.458 1
1 693 . 4 1 1 A 55 55 LEU H H 55 7.650 8.228 -0.578 1
1 694 . 4 1 1 A 55 55 LEU HA H 55 4.016 4.102 -0.086 1
1 704 . 4 1 1 A 55 55 LEU C C 55 171.927 179.364 -7.437 1
1 705 . 4 1 1 A 55 55 LEU CA C 55 59.965 57.961 2.004 1
1 706 . 4 1 1 A 55 55 LEU CB C 55 43.370 41.335 2.035 1
1 710 . 4 1 1 A 55 55 LEU N N 55 121.634 119.827 1.807 1
1 711 . 4 1 1 A 56 56 MET H H 56 8.429 8.578 -0.149 1
1 712 . 4 1 1 A 56 56 MET HA H 56 4.325 4.226 0.099 1
1 720 . 4 1 1 A 56 56 MET C C 56 172.527 179.022 -6.495 1
1 721 . 4 1 1 A 56 56 MET CA C 56 59.221 58.298 0.923 1
1 722 . 4 1 1 A 56 56 MET CB C 56 34.106 31.734 2.372 1
1 725 . 4 1 1 A 56 56 MET N N 56 118.696 116.859 1.837 1
1 726 . 4 1 1 A 57 57 LYS H H 57 8.249 7.548 0.701 1
1 727 . 4 1 1 A 57 57 LYS HA H 57 3.996 4.145 -0.149 1
1 736 . 4 1 1 A 57 57 LYS C C 57 172.527 178.833 -6.306 1
1 737 . 4 1 1 A 57 57 LYS CA C 57 60.872 58.554 2.318 1
1 738 . 4 1 1 A 57 57 LYS CB C 57 33.853 32.568 1.285 1
1 742 . 4 1 1 A 57 57 LYS N N 57 119.855 121.081 -1.226 1
1 743 . 4 1 1 A 58 58 SER H H 58 7.729 8.135 -0.406 1
1 744 . 4 1 1 A 58 58 SER HA H 58 4.125 4.232 -0.107 1
1 747 . 4 1 1 A 58 58 SER C C 58 176.527 177.601 -1.074 1
1 748 . 4 1 1 A 58 58 SER CA C 58 63.029 61.567 1.462 1
1 749 . 4 1 1 A 58 58 SER CB C 58 64.686 63.220 1.466 1
1 750 . 4 1 1 A 58 58 SER N N 58 115.984 114.604 1.380 1
1 751 . 4 1 1 A 59 59 LEU H H 59 7.288 8.367 -1.079 1
1 752 . 4 1 1 A 59 59 LEU HA H 59 4.058 4.023 0.035 1
1 762 . 4 1 1 A 59 59 LEU C C 59 175.827 178.282 -2.455 1
1 763 . 4 1 1 A 59 59 LEU CA C 59 57.364 57.883 -0.519 1
1 764 . 4 1 1 A 59 59 LEU CB C 59 42.712 41.130 1.582 1
1 768 . 4 1 1 A 59 59 LEU N N 59 120.622 121.495 -0.873 1
1 769 . 4 1 1 A 60 60 ASP H H 60 7.431 8.227 -0.796 1
1 770 . 4 1 1 A 60 60 ASP HA H 60 4.386 4.435 -0.049 1
1 773 . 4 1 1 A 60 60 ASP C C 60 175.927 178.340 -2.413 1
1 774 . 4 1 1 A 60 60 ASP CA C 60 57.012 56.291 0.721 1
1 775 . 4 1 1 A 60 60 ASP CB C 60 42.351 41.049 1.302 1
1 776 . 4 1 1 A 60 60 ASP N N 60 116.755 119.179 -2.424 1
1 777 . 4 1 1 A 61 61 LYS H H 61 7.243 7.498 -0.255 1
1 778 . 4 1 1 A 61 61 LYS HA H 61 4.223 4.059 0.164 1
1 787 . 4 1 1 A 61 61 LYS C C 61 176.527 178.011 -1.484 1
1 788 . 4 1 1 A 61 61 LYS CA C 61 57.287 59.140 -1.853 1
1 789 . 4 1 1 A 61 61 LYS CB C 61 34.683 32.465 2.218 1
1 793 . 4 1 1 A 61 61 LYS N N 61 119.913 118.406 1.507 1
1 794 . 4 1 1 A 62 62 ASN H H 62 8.725 7.803 0.922 1
1 795 . 4 1 1 A 62 62 ASN HA H 62 4.462 4.870 -0.408 1
1 800 . 4 1 1 A 62 62 ASN C C 62 175.627 176.111 -0.484 1
1 801 . 4 1 1 A 62 62 ASN CA C 62 55.452 53.084 2.368 1
1 802 . 4 1 1 A 62 62 ASN CB C 62 39.336 39.902 -0.566 1
1 803 . 4 1 1 A 62 62 ASN N N 62 120.247 114.569 5.678 1
1 805 . 4 1 1 A 63 63 SER H H 63 8.061 8.332 -0.271 1
1 806 . 4 1 1 A 63 63 SER HA H 63 3.957 4.455 -0.498 1
1 809 . 4 1 1 A 63 63 SER C C 63 174.827 173.702 1.125 1
1 810 . 4 1 1 A 63 63 SER CA C 63 62.954 60.099 2.855 1
1 811 . 4 1 1 A 63 63 SER CB C 63 65.586 62.957 2.629 1
1 812 . 4 1 1 A 63 63 SER N N 63 113.249 113.884 -0.635 1
1 813 . 4 1 1 A 64 64 ASP H H 64 8.408 8.391 0.017 1
1 814 . 4 1 1 A 64 64 ASP HA H 64 4.573 4.775 -0.202 1
1 817 . 4 1 1 A 64 64 ASP C C 64 176.027 175.494 0.533 1
1 818 . 4 1 1 A 64 64 ASP CA C 64 55.789 53.752 2.037 1
1 819 . 4 1 1 A 64 64 ASP CB C 64 42.365 42.419 -0.054 1
1 820 . 4 1 1 A 64 64 ASP N N 64 117.587 118.652 -1.065 1
1 821 . 4 1 1 A 65 65 GLN H H 65 7.779 6.918 0.861 1
1 822 . 4 1 1 A 65 65 GLN HA H 65 4.026 4.400 -0.374 1
1 829 . 4 1 1 A 65 65 GLN C C 65 176.827 175.526 1.301 1
1 830 . 4 1 1 A 65 65 GLN CA C 65 58.241 55.405 2.836 1
1 831 . 4 1 1 A 65 65 GLN CB C 65 31.309 29.337 1.972 1
1 833 . 4 1 1 A 65 65 GLN N N 65 121.059 118.694 2.365 1
1 835 . 4 1 1 A 66 66 GLU H H 66 8.365 8.548 -0.183 1
1 836 . 4 1 1 A 66 66 GLU HA H 66 4.320 4.613 -0.293 1
1 841 . 4 1 1 A 66 66 GLU C C 66 176.227 175.918 0.309 1
1 842 . 4 1 1 A 66 66 GLU CA C 66 58.238 57.008 1.230 1
1 843 . 4 1 1 A 66 66 GLU CB C 66 32.567 30.553 2.014 1
1 845 . 4 1 1 A 66 66 GLU N N 66 123.061 121.629 1.432 1
1 846 . 4 1 1 A 67 67 ILE H H 67 9.350 8.850 0.500 1
1 847 . 4 1 1 A 67 67 ILE HA H 67 4.543 4.790 -0.247 1
1 857 . 4 1 1 A 67 67 ILE C C 67 178.127 174.431 3.696 1
1 858 . 4 1 1 A 67 67 ILE CA C 67 61.173 59.513 1.660 1
1 859 . 4 1 1 A 67 67 ILE CB C 67 41.460 41.758 -0.298 1
1 863 . 4 1 1 A 67 67 ILE N N 67 121.809 121.031 0.778 1
1 864 . 4 1 1 A 68 68 ASP H H 68 8.140 8.714 -0.574 1
1 865 . 4 1 1 A 68 68 ASP HA H 68 5.408 4.892 0.516 1
1 868 . 4 1 1 A 68 68 ASP C C 68 176.127 177.195 -1.068 1
1 869 . 4 1 1 A 68 68 ASP CA C 68 53.471 54.268 -0.797 1
1 870 . 4 1 1 A 68 68 ASP CB C 68 43.898 43.303 0.595 1
1 871 . 4 1 1 A 68 68 ASP N N 68 122.626 126.602 -3.976 1
1 872 . 4 1 1 A 69 69 PHE H H 69 9.486 8.882 0.604 1
1 873 . 4 1 1 A 69 69 PHE HA H 69 3.397 4.113 -0.716 1
1 880 . 4 1 1 A 69 69 PHE C C 69 174.727 177.619 -2.892 1
1 881 . 4 1 1 A 69 69 PHE CA C 69 63.764 61.690 2.074 1
1 882 . 4 1 1 A 69 69 PHE CB C 69 42.009 39.301 2.708 1
1 883 . 4 1 1 A 69 69 PHE N N 69 118.584 127.806 -9.222 1
1 884 . 4 1 1 A 70 70 LYS H H 70 7.510 8.518 -1.008 1
1 885 . 4 1 1 A 70 70 LYS HA H 70 3.633 4.000 -0.367 1
1 894 . 4 1 1 A 70 70 LYS C C 70 173.627 178.890 -5.263 1
1 895 . 4 1 1 A 70 70 LYS CA C 70 61.940 59.940 2.000 1
1 896 . 4 1 1 A 70 70 LYS CB C 70 33.189 32.161 1.028 1
1 900 . 4 1 1 A 70 70 LYS N N 70 117.327 119.326 -1.999 1
1 901 . 4 1 1 A 71 71 GLU H H 71 8.151 7.752 0.399 1
1 902 . 4 1 1 A 71 71 GLU HA H 71 3.930 4.152 -0.222 1
1 907 . 4 1 1 A 71 71 GLU C C 71 173.127 178.919 -5.792 1
1 908 . 4 1 1 A 71 71 GLU CA C 71 61.000 59.299 1.701 1
1 909 . 4 1 1 A 71 71 GLU CB C 71 31.639 29.704 1.935 1
1 911 . 4 1 1 A 71 71 GLU N N 71 120.925 118.603 2.322 1
1 912 . 4 1 1 A 72 72 TYR H H 72 8.454 7.959 0.495 1
1 913 . 4 1 1 A 72 72 TYR HA H 72 4.047 4.211 -0.164 1
1 920 . 4 1 1 A 72 72 TYR C C 72 177.227 178.219 -0.992 1
1 921 . 4 1 1 A 72 72 TYR CA C 72 62.068 61.378 0.690 1
1 922 . 4 1 1 A 72 72 TYR CB C 72 39.522 38.485 1.037 1
1 923 . 4 1 1 A 72 72 TYR N N 72 123.271 122.544 0.727 1
1 924 . 4 1 1 A 73 73 SER H H 73 7.990 8.466 -0.476 1
1 925 . 4 1 1 A 73 73 SER HA H 73 3.245 4.051 -0.806 1
1 928 . 4 1 1 A 73 73 SER C C 73 174.327 176.596 -2.269 1
1 929 . 4 1 1 A 73 73 SER CA C 73 62.841 61.336 1.505 1
1 930 . 4 1 1 A 73 73 SER CB C 73 64.317 62.617 1.700 1
1 931 . 4 1 1 A 73 73 SER N N 73 115.432 114.684 0.748 1
1 932 . 4 1 1 A 74 74 VAL H H 74 8.112 7.966 0.146 1
1 933 . 4 1 1 A 74 74 VAL HA H 74 3.375 3.832 -0.457 1
1 941 . 4 1 1 A 74 74 VAL C C 74 174.427 178.246 -3.819 1
1 942 . 4 1 1 A 74 74 VAL CA C 74 68.677 65.918 2.759 1
1 943 . 4 1 1 A 74 74 VAL CB C 74 33.164 31.469 1.695 1
1 946 . 4 1 1 A 74 74 VAL N N 74 123.807 119.202 4.605 1
1 947 . 4 1 1 A 75 75 PHE H H 75 8.149 8.517 -0.368 1
1 948 . 4 1 1 A 75 75 PHE HA H 75 3.878 4.227 -0.349 1
1 955 . 4 1 1 A 75 75 PHE C C 75 174.627 177.091 -2.464 1
1 956 . 4 1 1 A 75 75 PHE CA C 75 64.444 61.407 3.037 1
1 957 . 4 1 1 A 75 75 PHE CB C 75 40.823 39.098 1.725 1
1 958 . 4 1 1 A 75 75 PHE N N 75 122.351 124.002 -1.651 1
1 959 . 4 1 1 A 76 76 LEU H H 76 8.141 8.474 -0.333 1
1 960 . 4 1 1 A 76 76 LEU HA H 76 3.648 3.839 -0.191 1
1 970 . 4 1 1 A 76 76 LEU C C 76 173.327 179.091 -5.764 1
1 971 . 4 1 1 A 76 76 LEU CA C 76 59.810 58.105 1.705 1
1 972 . 4 1 1 A 76 76 LEU CB C 76 42.994 41.559 1.435 1
1 976 . 4 1 1 A 76 76 LEU N N 76 116.801 119.692 -2.891 1
1 977 . 4 1 1 A 77 77 THR H H 77 8.005 7.938 0.067 1
1 978 . 4 1 1 A 77 77 THR HA H 77 3.561 3.812 -0.251 1
1 984 . 4 1 1 A 77 77 THR C C 77 176.427 175.593 0.834 1
1 985 . 4 1 1 A 77 77 THR CA C 77 69.876 66.763 3.113 1
1 986 . 4 1 1 A 77 77 THR CB C 77 71.163 68.410 2.753 1
1 988 . 4 1 1 A 77 77 THR N N 77 116.415 115.800 0.615 1
1 989 . 4 1 1 A 78 78 MET H H 78 8.059 8.549 -0.490 1
1 990 . 4 1 1 A 78 78 MET HA H 78 3.771 3.953 -0.182 1
1 995 . 4 1 1 A 78 78 MET C C 78 172.927 178.456 -5.529 1
1 996 . 4 1 1 A 78 78 MET CA C 78 60.751 58.409 2.342 1
1 997 . 4 1 1 A 78 78 MET CB C 78 33.255 32.116 1.139 1
1 999 . 4 1 1 A 78 78 MET N N 78 120.960 119.759 1.201 1
1 1000 . 4 1 1 A 79 79 LEU H H 79 8.007 8.235 -0.228 1
1 1001 . 4 1 1 A 79 79 LEU HA H 79 3.646 4.053 -0.407 1
1 1011 . 4 1 1 A 79 79 LEU C C 79 174.527 178.122 -3.595 1
1 1012 . 4 1 1 A 79 79 LEU CA C 79 59.756 57.793 1.963 1
1 1013 . 4 1 1 A 79 79 LEU CB C 79 42.961 41.661 1.300 1
1 1017 . 4 1 1 A 79 79 LEU N N 79 120.772 120.578 0.194 1
1 1018 . 4 1 1 A 80 80 CYS H H 80 8.268 8.462 -0.194 1
1 1019 . 4 1 1 A 80 80 CYS HA H 80 3.344 3.630 -0.286 1
1 1022 . 4 1 1 A 80 80 CYS C C 80 176.127 176.910 -0.783 1
1 1023 . 4 1 1 A 80 80 CYS CA C 80 64.083 62.636 1.447 1
1 1024 . 4 1 1 A 80 80 CYS CB C 80 28.199 26.890 1.309 1
1 1025 . 4 1 1 A 80 80 CYS N N 80 118.257 118.097 0.160 1
1 1026 . 4 1 1 A 81 81 MET H H 81 7.600 7.822 -0.222 1
1 1027 . 4 1 1 A 81 81 MET HA H 81 3.242 4.288 -1.046 1
1 1035 . 4 1 1 A 81 81 MET C C 81 176.227 177.116 -0.889 1
1 1036 . 4 1 1 A 81 81 MET CA C 81 60.091 57.062 3.029 1
1 1037 . 4 1 1 A 81 81 MET CB C 81 34.090 32.554 1.536 1
1 1040 . 4 1 1 A 81 81 MET N N 81 114.515 119.906 -5.391 1
1 1041 . 4 1 1 A 82 82 ALA H H 82 7.299 7.442 -0.143 1
1 1042 . 4 1 1 A 82 82 ALA HA H 82 4.121 4.278 -0.157 1
1 1046 . 4 1 1 A 82 82 ALA C C 82 173.827 177.380 -3.553 1
1 1047 . 4 1 1 A 82 82 ALA CA C 82 54.930 52.794 2.136 1
1 1048 . 4 1 1 A 82 82 ALA CB C 82 20.641 19.070 1.571 1
1 1049 . 4 1 1 A 82 82 ALA N N 82 118.977 121.121 -2.144 1
1 1050 . 4 1 1 A 83 83 TYR H H 83 7.623 6.817 0.806 1
1 1051 . 4 1 1 A 83 83 TYR HA H 83 4.771 4.806 -0.035 1
1 1058 . 4 1 1 A 83 83 TYR CA C 83 59.333 57.171 2.162 1
1 1059 . 4 1 1 A 83 83 TYR CB C 83 41.599 39.261 2.338 1
1 1060 . 4 1 1 A 83 83 TYR N N 83 113.311 114.408 -1.097 1
1 1061 . 4 1 1 A 84 84 ASN HA H 84 4.534 4.873 -0.339 1
1 1064 . 4 1 1 A 84 84 ASN CA C 84 56.126 52.444 3.682 1
1 1065 . 4 1 1 A 84 84 ASN CB C 84 41.990 37.969 4.021 1
1 1066 . 4 1 1 A 85 85 ASP H H 85 8.681 8.317 0.364 1
1 1067 . 4 1 1 A 85 85 ASP HA H 85 4.086 4.335 -0.249 1
1 1070 . 4 1 1 A 85 85 ASP CA C 85 58.457 56.512 1.945 1
1 1071 . 4 1 1 A 85 85 ASP CB C 85 42.260 39.454 2.806 1
1 1072 . 4 1 1 A 85 85 ASP N N 85 126.079 119.939 6.140 1
1 1073 . 4 1 1 A 86 86 PHE H H 86 8.672 8.011 0.661 1
1 1074 . 4 1 1 A 86 86 PHE HA H 86 3.744 4.165 -0.421 1
1 1081 . 4 1 1 A 86 86 PHE C C 86 176.827 176.516 0.311 1
1 1082 . 4 1 1 A 86 86 PHE CA C 86 62.903 60.520 2.383 1
1 1083 . 4 1 1 A 86 86 PHE CB C 86 41.596 37.889 3.707 1
1 1084 . 4 1 1 A 86 86 PHE N N 86 121.950 117.133 4.817 1
1 1085 . 4 1 1 A 87 87 PHE H H 87 7.225 7.388 -0.163 1
1 1086 . 4 1 1 A 87 87 PHE HA H 87 3.836 4.846 -1.010 1
1 1093 . 4 1 1 A 87 87 PHE C C 87 176.927 174.665 2.262 1
1 1094 . 4 1 1 A 87 87 PHE CA C 87 60.422 57.463 2.959 1
1 1095 . 4 1 1 A 87 87 PHE CB C 87 41.081 39.969 1.112 1
1 1096 . 4 1 1 A 87 87 PHE N N 87 110.928 115.687 -4.759 1
1 1097 . 4 1 1 A 88 88 LEU H H 88 7.130 7.519 -0.389 1
1 1098 . 4 1 1 A 88 88 LEU HA H 88 4.169 4.842 -0.673 1
1 1108 . 4 1 1 A 88 88 LEU C C 88 175.027 176.089 -1.062 1
1 1109 . 4 1 1 A 88 88 LEU CA C 88 56.962 53.706 3.256 1
1 1110 . 4 1 1 A 88 88 LEU CB C 88 44.199 45.348 -1.149 1
1 1114 . 4 1 1 A 88 88 LEU N N 88 119.732 119.990 -0.258 1
1 1115 . 4 1 1 A 89 89 GLU H H 89 8.097 9.048 -0.951 1
1 1116 . 4 1 1 A 89 89 GLU HA H 89 4.087 4.607 -0.520 1
1 1121 . 4 1 1 A 89 89 GLU C C 89 176.427 177.078 -0.651 1
1 1122 . 4 1 1 A 89 89 GLU CA C 89 58.216 56.091 2.125 1
1 1123 . 4 1 1 A 89 89 GLU CB C 89 32.309 30.712 1.597 1
1 1125 . 4 1 1 A 89 89 GLU N N 89 121.626 122.173 -0.547 1
1 1126 . 4 1 1 A 90 90 ASP H H 90 8.243 7.904 0.339 1
1 1127 . 4 1 1 A 90 90 ASP HA H 90 4.425 4.792 -0.367 1
1 1130 . 4 1 1 A 90 90 ASP C C 90 176.527 176.886 -0.359 1
1 1131 . 4 1 1 A 90 90 ASP CA C 90 55.815 54.607 1.208 1
1 1132 . 4 1 1 A 90 90 ASP CB C 90 42.874 42.478 0.396 1
1 1133 . 4 1 1 A 90 90 ASP N N 90 121.280 116.275 5.005 1
1 1134 . 4 1 1 A 91 91 ASN H H 91 8.267 8.035 0.232 1
1 1135 . 4 1 1 A 91 91 ASN HA H 91 4.563 4.412 0.151 1
1 1140 . 4 1 1 A 91 91 ASN C C 91 178.127 174.300 3.827 1
1 1141 . 4 1 1 A 91 91 ASN CA C 91 54.928 54.503 0.425 1
1 1142 . 4 1 1 A 91 91 ASN CB C 91 40.529 36.873 3.656 1
1 1143 . 4 1 1 A 91 91 ASN N N 91 119.209 114.389 4.820 1
1 14 . 5 1 1 A 2 2 GLU H H 2 8.722 9.133 -0.411 1
1 15 . 5 1 1 A 2 2 GLU HA H 2 4.557 4.662 -0.105 1
1 20 . 5 1 1 A 2 2 GLU C C 2 175.827 176.479 -0.652 1
1 21 . 5 1 1 A 2 2 GLU CA C 2 58.063 57.580 0.483 1
1 22 . 5 1 1 A 2 2 GLU CB C 2 33.147 32.292 0.855 1
1 24 . 5 1 1 A 2 2 GLU N N 2 124.627 123.487 1.140 1
1 25 . 5 1 1 A 3 3 THR H H 3 8.670 7.683 0.987 1
1 26 . 5 1 1 A 3 3 THR HA H 3 4.616 4.840 -0.224 1
1 31 . 5 1 1 A 3 3 THR CA C 3 61.734 58.816 2.918 1
1 32 . 5 1 1 A 3 3 THR CB C 3 70.590 71.103 -0.513 1
1 34 . 5 1 1 A 3 3 THR N N 3 116.274 111.320 4.954 1
1 35 . 5 1 1 A 4 4 PRO HA H 4 4.161 4.383 -0.222 1
1 42 . 5 1 1 A 4 4 PRO C C 4 172.227 177.939 -5.712 1
1 43 . 5 1 1 A 4 4 PRO CA C 4 68.211 65.638 2.573 1
1 44 . 5 1 1 A 4 4 PRO CB C 4 33.796 32.102 1.694 1
1 47 . 5 1 1 A 5 5 LEU H H 5 9.207 7.743 1.464 1
1 48 . 5 1 1 A 5 5 LEU HA H 5 4.038 4.071 -0.033 1
1 58 . 5 1 1 A 5 5 LEU C C 5 174.327 178.333 -4.006 1
1 59 . 5 1 1 A 5 5 LEU CA C 5 59.483 57.489 1.994 1
1 60 . 5 1 1 A 5 5 LEU CB C 5 43.877 41.626 2.251 1
1 64 . 5 1 1 A 5 5 LEU N N 5 119.157 117.969 1.188 1
1 65 . 5 1 1 A 6 6 GLU H H 6 7.661 8.139 -0.478 1
1 66 . 5 1 1 A 6 6 GLU HA H 6 3.755 3.943 -0.188 1
1 71 . 5 1 1 A 6 6 GLU C C 6 172.727 179.001 -6.274 1
1 72 . 5 1 1 A 6 6 GLU CA C 6 61.953 59.811 2.142 1
1 73 . 5 1 1 A 6 6 GLU CB C 6 31.354 29.121 2.233 1
1 75 . 5 1 1 A 6 6 GLU N N 6 119.837 119.054 0.783 1
1 76 . 5 1 1 A 7 7 LYS H H 7 8.430 7.719 0.711 1
1 77 . 5 1 1 A 7 7 LYS HA H 7 3.921 4.237 -0.316 1
1 86 . 5 1 1 A 7 7 LYS C C 7 172.927 179.285 -6.358 1
1 87 . 5 1 1 A 7 7 LYS CA C 7 61.312 58.888 2.424 1
1 88 . 5 1 1 A 7 7 LYS CB C 7 33.861 31.840 2.021 1
1 92 . 5 1 1 A 7 7 LYS N N 7 119.023 119.215 -0.192 1
1 93 . 5 1 1 A 8 8 ALA H H 8 8.079 8.077 0.002 1
1 94 . 5 1 1 A 8 8 ALA HA H 8 4.085 4.074 0.011 1
1 98 . 5 1 1 A 8 8 ALA C C 8 173.027 180.140 -7.113 1
1 99 . 5 1 1 A 8 8 ALA CA C 8 56.967 55.251 1.716 1
1 100 . 5 1 1 A 8 8 ALA CB C 8 20.140 18.673 1.467 1
1 101 . 5 1 1 A 8 8 ALA N N 8 123.824 122.695 1.129 1
1 102 . 5 1 1 A 9 9 LEU H H 9 8.032 8.270 -0.238 1
1 103 . 5 1 1 A 9 9 LEU HA H 9 4.061 4.056 0.005 1
1 113 . 5 1 1 A 9 9 LEU C C 9 172.527 179.137 -6.610 1
1 114 . 5 1 1 A 9 9 LEU CA C 9 60.071 58.011 2.060 1
1 115 . 5 1 1 A 9 9 LEU CB C 9 42.714 41.799 0.915 1
1 119 . 5 1 1 A 9 9 LEU N N 9 118.643 118.236 0.407 1
1 120 . 5 1 1 A 10 10 THR H H 10 8.686 8.429 0.257 1
1 121 . 5 1 1 A 10 10 THR HA H 10 3.798 3.959 -0.161 1
1 126 . 5 1 1 A 10 10 THR C C 10 175.127 176.533 -1.406 1
1 127 . 5 1 1 A 10 10 THR CA C 10 69.282 66.728 2.554 1
1 128 . 5 1 1 A 10 10 THR CB C 10 70.132 68.672 1.460 1
1 130 . 5 1 1 A 10 10 THR N N 10 117.087 115.706 1.381 1
1 131 . 5 1 1 A 11 11 THR H H 11 8.628 7.890 0.738 1
1 132 . 5 1 1 A 11 11 THR HA H 11 3.961 3.990 -0.029 1
1 137 . 5 1 1 A 11 11 THR C C 11 174.427 176.715 -2.288 1
1 138 . 5 1 1 A 11 11 THR CA C 11 68.408 66.816 1.592 1
1 139 . 5 1 1 A 11 11 THR CB C 11 69.107 68.105 1.002 1
1 141 . 5 1 1 A 11 11 THR N N 11 120.770 115.917 4.853 1
1 142 . 5 1 1 A 12 12 MET H H 12 8.390 8.312 0.078 1
1 143 . 5 1 1 A 12 12 MET HA H 12 3.956 4.466 -0.510 1
1 151 . 5 1 1 A 12 12 MET C C 12 175.127 178.540 -3.413 1
1 152 . 5 1 1 A 12 12 MET CA C 12 62.750 58.530 4.220 1
1 153 . 5 1 1 A 12 12 MET CB C 12 34.952 33.562 1.390 1
1 156 . 5 1 1 A 12 12 MET N N 12 124.388 118.750 5.638 1
1 157 . 5 1 1 A 13 13 VAL H H 13 8.104 8.627 -0.523 1
1 158 . 5 1 1 A 13 13 VAL HA H 13 3.576 4.201 -0.625 1
1 166 . 5 1 1 A 13 13 VAL C C 13 175.327 178.335 -3.008 1
1 167 . 5 1 1 A 13 13 VAL CA C 13 68.958 65.962 2.996 1
1 168 . 5 1 1 A 13 13 VAL CB C 13 33.703 31.401 2.302 1
1 171 . 5 1 1 A 13 13 VAL N N 13 121.753 117.038 4.715 1
1 172 . 5 1 1 A 14 14 THR H H 14 9.186 8.415 0.771 1
1 173 . 5 1 1 A 14 14 THR HA H 14 3.774 3.977 -0.203 1
1 178 . 5 1 1 A 14 14 THR C C 14 173.927 177.030 -3.103 1
1 179 . 5 1 1 A 14 14 THR CA C 14 67.955 65.982 1.973 1
1 180 . 5 1 1 A 14 14 THR CB C 14 70.504 68.398 2.106 1
1 182 . 5 1 1 A 14 14 THR N N 14 114.911 116.434 -1.523 1
1 183 . 5 1 1 A 15 15 THR H H 15 8.453 8.213 0.240 1
1 184 . 5 1 1 A 15 15 THR HA H 15 3.859 4.224 -0.365 1
1 190 . 5 1 1 A 15 15 THR C C 15 178.127 176.731 1.396 1
1 191 . 5 1 1 A 15 15 THR CA C 15 69.609 65.993 3.616 1
1 192 . 5 1 1 A 15 15 THR CB C 15 70.511 68.093 2.418 1
1 194 . 5 1 1 A 15 15 THR N N 15 118.791 112.698 6.093 1
1 195 . 5 1 1 A 16 16 PHE H H 16 7.207 8.374 -1.167 1
1 196 . 5 1 1 A 16 16 PHE HA H 16 3.572 4.053 -0.481 1
1 203 . 5 1 1 A 16 16 PHE C C 16 178.527 177.536 0.991 1
1 204 . 5 1 1 A 16 16 PHE CA C 16 64.090 61.481 2.609 1
1 205 . 5 1 1 A 16 16 PHE CB C 16 41.091 38.910 2.181 1
1 206 . 5 1 1 A 16 16 PHE N N 16 121.331 124.068 -2.737 1
1 207 . 5 1 1 A 17 17 HIS H H 17 8.393 8.511 -0.118 1
1 208 . 5 1 1 A 17 17 HIS HA H 17 5.329 4.277 1.052 1
1 211 . 5 1 1 A 17 17 HIS C C 17 174.627 177.541 -2.914 1
1 212 . 5 1 1 A 17 17 HIS CA C 17 56.667 60.271 -3.604 1
1 213 . 5 1 1 A 17 17 HIS CB C 17 32.397 29.889 2.508 1
1 214 . 5 1 1 A 17 17 HIS N N 17 117.858 119.101 -1.243 1
1 215 . 5 1 1 A 18 18 LYS H H 18 7.767 7.827 -0.060 1
1 216 . 5 1 1 A 18 18 LYS HA H 18 3.553 4.048 -0.495 1
1 225 . 5 1 1 A 18 18 LYS C C 18 175.527 177.264 -1.737 1
1 226 . 5 1 1 A 18 18 LYS CA C 18 61.301 58.668 2.633 1
1 227 . 5 1 1 A 18 18 LYS CB C 18 33.523 32.119 1.404 1
1 231 . 5 1 1 A 18 18 LYS N N 18 120.691 119.086 1.605 1
1 232 . 5 1 1 A 19 19 TYR H H 19 7.079 7.786 -0.707 1
1 233 . 5 1 1 A 19 19 TYR HA H 19 3.993 4.626 -0.633 1
1 240 . 5 1 1 A 19 19 TYR C C 19 174.227 176.590 -2.363 1
1 241 . 5 1 1 A 19 19 TYR CA C 19 61.287 58.598 2.689 1
1 242 . 5 1 1 A 19 19 TYR CB C 19 42.066 40.055 2.011 1
1 243 . 5 1 1 A 19 19 TYR N N 19 114.592 116.885 -2.293 1
1 244 . 5 1 1 A 20 20 SER H H 20 9.708 7.482 2.226 1
1 245 . 5 1 1 A 20 20 SER HA H 20 4.117 4.268 -0.151 1
1 248 . 5 1 1 A 20 20 SER C C 20 175.227 176.090 -0.863 1
1 249 . 5 1 1 A 20 20 SER CA C 20 60.135 62.109 -1.974 1
1 250 . 5 1 1 A 20 20 SER CB C 20 63.159 63.288 -0.129 1
1 251 . 5 1 1 A 20 20 SER N N 20 121.764 114.362 7.402 1
1 252 . 5 1 1 A 21 21 GLY H H 21 8.146 8.080 0.066 1
1 253 . 5 1 1 A 21 21 GLY HA2 H 21 3.956 3.715 0.241 1
1 254 . 5 1 1 A 21 21 GLY HA3 H 21 3.571 3.786 -0.215 1
1 255 . 5 1 1 A 21 21 GLY C C 21 177.927 174.704 3.223 1
1 256 . 5 1 1 A 21 21 GLY CA C 21 46.646 46.271 0.375 1
1 257 . 5 1 1 A 21 21 GLY N N 21 106.982 107.761 -0.779 1
1 258 . 5 1 1 A 22 22 ARG H H 22 7.007 8.314 -1.307 1
1 259 . 5 1 1 A 22 22 ARG HA H 22 3.815 4.493 -0.678 1
1 266 . 5 1 1 A 22 22 ARG C C 22 175.927 176.668 -0.741 1
1 267 . 5 1 1 A 22 22 ARG CA C 22 60.766 56.702 4.064 1
1 268 . 5 1 1 A 22 22 ARG CB C 22 32.302 32.167 0.135 1
1 271 . 5 1 1 A 22 22 ARG N N 22 118.055 122.590 -4.535 1
1 272 . 5 1 1 A 23 23 GLU H H 23 7.551 8.520 -0.969 1
1 273 . 5 1 1 A 23 23 GLU HA H 23 4.436 4.340 0.096 1
1 278 . 5 1 1 A 23 23 GLU C C 23 177.727 176.481 1.246 1
1 279 . 5 1 1 A 23 23 GLU CA C 23 56.853 56.624 0.229 1
1 280 . 5 1 1 A 23 23 GLU CB C 23 33.988 31.180 2.808 1
1 282 . 5 1 1 A 23 23 GLU N N 23 114.631 118.037 -3.406 1
1 283 . 5 1 1 A 24 24 GLY H H 24 8.376 6.936 1.440 1
1 284 . 5 1 1 A 24 24 GLY HA2 H 24 3.771 3.938 -0.167 1
1 285 . 5 1 1 A 24 24 GLY HA3 H 24 3.567 4.074 -0.507 1
1 286 . 5 1 1 A 24 24 GLY C C 24 177.127 173.581 3.546 1
1 287 . 5 1 1 A 24 24 GLY CA C 24 47.718 44.979 2.739 1
1 288 . 5 1 1 A 24 24 GLY N N 24 107.626 106.276 1.350 1
1 289 . 5 1 1 A 25 25 SER H H 25 8.443 8.636 -0.193 1
1 290 . 5 1 1 A 25 25 SER HA H 25 4.314 4.186 0.128 1
1 293 . 5 1 1 A 25 25 SER C C 25 175.527 174.522 1.005 1
1 294 . 5 1 1 A 25 25 SER CA C 25 59.146 59.033 0.113 1
1 295 . 5 1 1 A 25 25 SER CB C 25 65.573 60.995 4.578 1
1 296 . 5 1 1 A 25 25 SER N N 25 119.000 116.765 2.235 1
1 297 . 5 1 1 A 26 26 LYS H H 26 8.821 7.954 0.867 1
1 298 . 5 1 1 A 26 26 LYS HA H 26 4.307 4.112 0.195 1
1 307 . 5 1 1 A 26 26 LYS C C 26 176.027 177.451 -1.424 1
1 308 . 5 1 1 A 26 26 LYS CA C 26 59.180 58.048 1.132 1
1 309 . 5 1 1 A 26 26 LYS CB C 26 33.211 31.953 1.258 1
1 313 . 5 1 1 A 26 26 LYS N N 26 126.125 120.127 5.998 1
1 314 . 5 1 1 A 27 27 LEU H H 27 8.237 7.825 0.412 1
1 315 . 5 1 1 A 27 27 LEU HA H 27 4.534 4.575 -0.041 1
1 325 . 5 1 1 A 27 27 LEU C C 27 175.627 176.599 -0.972 1
1 326 . 5 1 1 A 27 27 LEU CA C 27 56.384 54.787 1.597 1
1 327 . 5 1 1 A 27 27 LEU CB C 27 44.218 43.637 0.581 1
1 331 . 5 1 1 A 27 27 LEU N N 27 117.484 117.455 0.029 1
1 332 . 5 1 1 A 28 28 THR H H 28 7.386 8.057 -0.671 1
1 333 . 5 1 1 A 28 28 THR HA H 28 5.517 5.726 -0.209 1
1 338 . 5 1 1 A 28 28 THR C C 28 180.227 172.742 7.485 1
1 339 . 5 1 1 A 28 28 THR CA C 28 61.014 60.323 0.691 1
1 340 . 5 1 1 A 28 28 THR CB C 28 75.348 72.869 2.479 1
1 342 . 5 1 1 A 28 28 THR N N 28 106.230 109.807 -3.577 1
1 343 . 5 1 1 A 29 29 LEU H H 29 8.721 8.711 0.010 1
1 344 . 5 1 1 A 29 29 LEU HA H 29 4.713 4.829 -0.116 1
1 354 . 5 1 1 A 29 29 LEU C C 29 176.927 175.440 1.487 1
1 355 . 5 1 1 A 29 29 LEU CA C 29 55.163 53.859 1.304 1
1 356 . 5 1 1 A 29 29 LEU CB C 29 46.059 44.351 1.708 1
1 360 . 5 1 1 A 29 29 LEU N N 29 116.728 117.932 -1.204 1
1 361 . 5 1 1 A 30 30 SER H H 30 8.866 8.462 0.404 1
1 362 . 5 1 1 A 30 30 SER HA H 30 4.942 5.058 -0.116 1
1 365 . 5 1 1 A 30 30 SER C C 30 176.327 175.926 0.401 1
1 366 . 5 1 1 A 30 30 SER CA C 30 59.032 56.620 2.412 1
1 367 . 5 1 1 A 30 30 SER CB C 30 67.150 66.030 1.120 1
1 368 . 5 1 1 A 30 30 SER N N 30 117.110 114.230 2.880 1
1 369 . 5 1 1 A 31 31 ARG H H 31 8.393 8.900 -0.507 1
1 370 . 5 1 1 A 31 31 ARG HA H 31 3.695 3.918 -0.223 1
1 377 . 5 1 1 A 31 31 ARG C C 31 174.127 178.166 -4.039 1
1 378 . 5 1 1 A 31 31 ARG CA C 31 62.776 60.129 2.647 1
1 379 . 5 1 1 A 31 31 ARG CB C 31 31.601 29.849 1.752 1
1 382 . 5 1 1 A 31 31 ARG N N 31 121.109 121.075 0.034 1
1 383 . 5 1 1 A 32 32 LYS H H 32 8.264 7.771 0.493 1
1 384 . 5 1 1 A 32 32 LYS HA H 32 3.912 4.085 -0.173 1
1 393 . 5 1 1 A 32 32 LYS C C 32 172.827 179.391 -6.564 1
1 394 . 5 1 1 A 32 32 LYS CA C 32 61.591 59.505 2.086 1
1 395 . 5 1 1 A 32 32 LYS CB C 32 34.116 31.995 2.121 1
1 399 . 5 1 1 A 32 32 LYS N N 32 118.536 119.477 -0.941 1
1 400 . 5 1 1 A 33 33 GLU H H 33 7.790 7.541 0.249 1
1 401 . 5 1 1 A 33 33 GLU HA H 33 4.049 4.039 0.010 1
1 406 . 5 1 1 A 33 33 GLU C C 33 174.327 178.706 -4.379 1
1 407 . 5 1 1 A 33 33 GLU CA C 33 60.634 58.849 1.785 1
1 408 . 5 1 1 A 33 33 GLU CB C 33 31.617 30.129 1.488 1
1 410 . 5 1 1 A 33 33 GLU N N 33 121.557 120.524 1.033 1
1 411 . 5 1 1 A 34 34 LEU H H 34 8.388 8.338 0.050 1
1 412 . 5 1 1 A 34 34 LEU HA H 34 3.844 3.794 0.050 1
1 422 . 5 1 1 A 34 34 LEU C C 34 174.927 178.381 -3.454 1
1 423 . 5 1 1 A 34 34 LEU CA C 34 59.173 58.248 0.925 1
1 424 . 5 1 1 A 34 34 LEU CB C 34 42.053 41.510 0.543 1
1 428 . 5 1 1 A 34 34 LEU N N 34 120.999 121.639 -0.640 1
1 429 . 5 1 1 A 35 35 LYS H H 35 7.817 7.792 0.025 1
1 430 . 5 1 1 A 35 35 LYS HA H 35 3.478 3.667 -0.189 1
1 439 . 5 1 1 A 35 35 LYS C C 35 174.627 178.276 -3.649 1
1 440 . 5 1 1 A 35 35 LYS CA C 35 62.312 59.492 2.820 1
1 441 . 5 1 1 A 35 35 LYS CB C 35 33.814 32.163 1.651 1
1 445 . 5 1 1 A 35 35 LYS N N 35 118.738 118.717 0.021 1
1 446 . 5 1 1 A 36 36 GLU H H 36 7.208 7.674 -0.466 1
1 447 . 5 1 1 A 36 36 GLU HA H 36 3.801 4.074 -0.273 1
1 452 . 5 1 1 A 36 36 GLU C C 36 175.227 178.432 -3.205 1
1 453 . 5 1 1 A 36 36 GLU CA C 36 61.015 58.820 2.195 1
1 454 . 5 1 1 A 36 36 GLU CB C 36 30.770 29.126 1.644 1
1 456 . 5 1 1 A 36 36 GLU N N 36 118.771 118.757 0.014 1
1 457 . 5 1 1 A 37 37 LEU H H 37 8.038 8.365 -0.327 1
1 458 . 5 1 1 A 37 37 LEU HA H 37 3.178 2.676 0.502 1
1 468 . 5 1 1 A 37 37 LEU C C 37 172.927 178.099 -5.172 1
1 469 . 5 1 1 A 37 37 LEU CA C 37 60.915 57.784 3.131 1
1 470 . 5 1 1 A 37 37 LEU CB C 37 43.352 41.006 2.346 1
1 474 . 5 1 1 A 37 37 LEU N N 37 121.767 120.660 1.107 1
1 475 . 5 1 1 A 38 38 ILE H H 38 8.224 7.726 0.498 1
1 476 . 5 1 1 A 38 38 ILE HA H 38 3.234 3.449 -0.215 1
1 486 . 5 1 1 A 38 38 ILE C C 38 174.727 177.763 -3.036 1
1 487 . 5 1 1 A 38 38 ILE CA C 38 66.464 65.652 0.812 1
1 488 . 5 1 1 A 38 38 ILE CB C 38 38.799 38.066 0.733 1
1 492 . 5 1 1 A 38 38 ILE N N 38 119.417 120.142 -0.725 1
1 493 . 5 1 1 A 39 39 LYS H H 39 7.700 7.532 0.168 1
1 494 . 5 1 1 A 39 39 LYS HA H 39 3.894 4.211 -0.317 1
1 503 . 5 1 1 A 39 39 LYS C C 39 173.727 177.792 -4.065 1
1 504 . 5 1 1 A 39 39 LYS CA C 39 61.015 57.365 3.650 1
1 505 . 5 1 1 A 39 39 LYS CB C 39 34.100 32.603 1.497 1
1 509 . 5 1 1 A 39 39 LYS N N 39 117.277 118.853 -1.576 1
1 510 . 5 1 1 A 40 40 LYS H H 40 8.170 8.128 0.042 1
1 511 . 5 1 1 A 40 40 LYS HA H 40 4.226 4.021 0.205 1
1 520 . 5 1 1 A 40 40 LYS C C 40 173.427 178.698 -5.271 1
1 521 . 5 1 1 A 40 40 LYS CA C 40 59.251 59.968 -0.717 1
1 522 . 5 1 1 A 40 40 LYS CB C 40 35.528 32.315 3.213 1
1 526 . 5 1 1 A 40 40 LYS N N 40 115.146 120.184 -5.038 1
1 527 . 5 1 1 A 41 41 GLU H H 41 8.778 8.275 0.503 1
1 528 . 5 1 1 A 41 41 GLU HA H 41 4.629 4.196 0.433 1
1 533 . 5 1 1 A 41 41 GLU C C 41 175.527 176.446 -0.919 1
1 534 . 5 1 1 A 41 41 GLU CA C 41 57.177 59.154 -1.977 1
1 535 . 5 1 1 A 41 41 GLU CB C 41 31.656 29.586 2.070 1
1 537 . 5 1 1 A 41 41 GLU N N 41 113.604 117.707 -4.103 1
1 538 . 5 1 1 A 42 42 LEU H H 42 7.610 7.770 -0.160 1
1 539 . 5 1 1 A 42 42 LEU HA H 42 4.475 4.380 0.095 1
1 549 . 5 1 1 A 42 42 LEU C C 42 177.227 176.726 0.501 1
1 550 . 5 1 1 A 42 42 LEU CA C 42 56.047 53.991 2.056 1
1 551 . 5 1 1 A 42 42 LEU CB C 42 45.748 40.708 5.040 1
1 555 . 5 1 1 A 42 42 LEU N N 42 118.997 120.194 -1.197 1
1 556 . 5 1 1 A 43 43 CYS H H 43 8.501 8.292 0.209 1
1 557 . 5 1 1 A 43 43 CYS HA H 43 4.397 4.722 -0.325 1
1 560 . 5 1 1 A 43 43 CYS C C 43 177.327 175.313 2.014 1
1 561 . 5 1 1 A 43 43 CYS CA C 43 60.023 58.146 1.877 1
1 562 . 5 1 1 A 43 43 CYS CB C 43 27.915 28.465 -0.550 1
1 563 . 5 1 1 A 43 43 CYS N N 43 119.622 125.020 -5.398 1
1 564 . 5 1 1 A 44 44 LEU H H 44 8.200 7.616 0.584 1
1 565 . 5 1 1 A 44 44 LEU HA H 44 3.979 4.221 -0.242 1
1 575 . 5 1 1 A 44 44 LEU C C 44 173.927 177.955 -4.028 1
1 576 . 5 1 1 A 44 44 LEU CA C 44 57.244 55.137 2.107 1
1 577 . 5 1 1 A 44 44 LEU CB C 44 43.622 42.973 0.649 1
1 581 . 5 1 1 A 44 44 LEU N N 44 121.955 120.353 1.602 1
1 582 . 5 1 1 A 45 45 GLY H H 45 8.244 7.833 0.411 1
1 583 . 5 1 1 A 45 45 GLY HA2 H 45 3.849 3.788 0.061 1
1 584 . 5 1 1 A 45 45 GLY HA3 H 45 3.789 3.928 -0.139 1
1 585 . 5 1 1 A 45 45 GLY C C 45 178.027 174.972 3.055 1
1 586 . 5 1 1 A 45 45 GLY CA C 45 47.023 45.262 1.761 1
1 587 . 5 1 1 A 45 45 GLY N N 45 107.702 109.101 -1.399 1
1 588 . 5 1 1 A 46 46 GLU H H 46 8.286 8.193 0.093 1
1 589 . 5 1 1 A 46 46 GLU HA H 46 4.039 4.104 -0.065 1
1 594 . 5 1 1 A 46 46 GLU C C 46 175.127 175.445 -0.318 1
1 595 . 5 1 1 A 46 46 GLU CA C 46 59.176 56.408 2.768 1
1 596 . 5 1 1 A 46 46 GLU CB C 46 31.361 28.140 3.221 1
1 598 . 5 1 1 A 46 46 GLU N N 46 119.602 118.668 0.934 1
1 599 . 5 1 1 A 47 47 MET H H 47 8.048 7.350 0.698 1
1 600 . 5 1 1 A 47 47 MET HA H 47 4.229 4.740 -0.511 1
1 608 . 5 1 1 A 47 47 MET C C 47 175.727 174.126 1.601 1
1 609 . 5 1 1 A 47 47 MET CA C 47 58.183 53.816 4.367 1
1 610 . 5 1 1 A 47 47 MET CB C 47 34.087 33.925 0.162 1
1 613 . 5 1 1 A 47 47 MET N N 47 119.617 117.831 1.786 1
1 614 . 5 1 1 A 48 48 LYS H H 48 8.221 8.179 0.042 1
1 615 . 5 1 1 A 48 48 LYS HA H 48 4.217 4.042 0.175 1
1 624 . 5 1 1 A 48 48 LYS C C 48 174.927 177.504 -2.577 1
1 625 . 5 1 1 A 48 48 LYS CA C 48 58.304 57.431 0.873 1
1 626 . 5 1 1 A 48 48 LYS CB C 48 34.548 32.954 1.594 1
1 630 . 5 1 1 A 48 48 LYS N N 48 120.987 120.290 0.697 1
1 631 . 5 1 1 A 49 49 GLU H H 49 8.346 8.840 -0.494 1
1 632 . 5 1 1 A 49 49 GLU HA H 49 3.922 4.293 -0.371 1
1 637 . 5 1 1 A 49 49 GLU C C 49 174.427 176.389 -1.962 1
1 638 . 5 1 1 A 49 49 GLU CA C 49 60.298 59.226 1.072 1
1 639 . 5 1 1 A 49 49 GLU CB C 49 31.065 29.353 1.712 1
1 641 . 5 1 1 A 49 49 GLU N N 49 121.867 124.616 -2.749 1
1 642 . 5 1 1 A 50 50 SER H H 50 8.348 7.881 0.467 1
1 643 . 5 1 1 A 50 50 SER HA H 50 4.172 4.748 -0.576 1
1 647 . 5 1 1 A 50 50 SER C C 50 176.027 174.849 1.178 1
1 648 . 5 1 1 A 50 50 SER CA C 50 62.548 55.879 6.669 1
1 649 . 5 1 1 A 50 50 SER CB C 50 64.840 65.353 -0.513 1
1 650 . 5 1 1 A 50 50 SER N N 50 115.695 114.688 1.007 1
1 651 . 5 1 1 A 51 51 SER H H 51 7.980 8.885 -0.905 1
1 652 . 5 1 1 A 51 51 SER HA H 51 4.258 4.406 -0.148 1
1 655 . 5 1 1 A 51 51 SER C C 51 174.427 174.902 -0.475 1
1 656 . 5 1 1 A 51 51 SER CA C 51 62.828 59.942 2.886 1
1 657 . 5 1 1 A 51 51 SER CB C 51 64.749 62.937 1.812 1
1 658 . 5 1 1 A 51 51 SER N N 51 117.126 119.131 -2.005 1
1 659 . 5 1 1 A 52 52 ILE H H 52 7.365 8.464 -1.099 1
1 660 . 5 1 1 A 52 52 ILE HA H 52 4.038 3.705 0.333 1
1 670 . 5 1 1 A 52 52 ILE C C 52 175.627 177.781 -2.154 1
1 671 . 5 1 1 A 52 52 ILE CA C 52 64.609 64.700 -0.091 1
1 672 . 5 1 1 A 52 52 ILE CB C 52 39.272 37.406 1.866 1
1 676 . 5 1 1 A 52 52 ILE N N 52 117.484 118.317 -0.833 1
1 677 . 5 1 1 A 53 53 ASP H H 53 7.681 8.462 -0.781 1
1 678 . 5 1 1 A 53 53 ASP HA H 53 4.214 4.234 -0.020 1
1 681 . 5 1 1 A 53 53 ASP C C 53 174.027 178.399 -4.372 1
1 682 . 5 1 1 A 53 53 ASP CA C 53 59.799 57.883 1.916 1
1 683 . 5 1 1 A 53 53 ASP CB C 53 42.927 41.842 1.085 1
1 684 . 5 1 1 A 53 53 ASP N N 53 121.969 121.398 0.571 1
1 685 . 5 1 1 A 54 54 ASP H H 54 8.227 7.745 0.482 1
1 686 . 5 1 1 A 54 54 ASP HA H 54 4.231 4.358 -0.127 1
1 689 . 5 1 1 A 54 54 ASP C C 54 172.927 178.468 -5.541 1
1 690 . 5 1 1 A 54 54 ASP CA C 54 59.507 57.131 2.376 1
1 691 . 5 1 1 A 54 54 ASP CB C 54 41.818 42.061 -0.243 1
1 692 . 5 1 1 A 54 54 ASP N N 54 118.083 119.094 -1.011 1
1 693 . 5 1 1 A 55 55 LEU H H 55 7.650 8.123 -0.473 1
1 694 . 5 1 1 A 55 55 LEU HA H 55 4.016 4.101 -0.085 1
1 704 . 5 1 1 A 55 55 LEU C C 55 171.927 179.117 -7.190 1
1 705 . 5 1 1 A 55 55 LEU CA C 55 59.965 57.858 2.107 1
1 706 . 5 1 1 A 55 55 LEU CB C 55 43.370 41.303 2.067 1
1 710 . 5 1 1 A 55 55 LEU N N 55 121.634 120.133 1.501 1
1 711 . 5 1 1 A 56 56 MET H H 56 8.429 8.128 0.301 1
1 712 . 5 1 1 A 56 56 MET HA H 56 4.325 4.152 0.173 1
1 720 . 5 1 1 A 56 56 MET C C 56 172.527 178.285 -5.758 1
1 721 . 5 1 1 A 56 56 MET CA C 56 59.221 59.240 -0.019 1
1 722 . 5 1 1 A 56 56 MET CB C 56 34.106 32.768 1.338 1
1 725 . 5 1 1 A 56 56 MET N N 56 118.696 117.282 1.414 1
1 726 . 5 1 1 A 57 57 LYS H H 57 8.249 8.198 0.051 1
1 727 . 5 1 1 A 57 57 LYS HA H 57 3.996 4.149 -0.153 1
1 736 . 5 1 1 A 57 57 LYS C C 57 172.527 178.646 -6.119 1
1 737 . 5 1 1 A 57 57 LYS CA C 57 60.872 58.838 2.034 1
1 738 . 5 1 1 A 57 57 LYS CB C 57 33.853 31.988 1.865 1
1 742 . 5 1 1 A 57 57 LYS N N 57 119.855 120.572 -0.717 1
1 743 . 5 1 1 A 58 58 SER H H 58 7.729 7.816 -0.087 1
1 744 . 5 1 1 A 58 58 SER HA H 58 4.125 4.362 -0.237 1
1 747 . 5 1 1 A 58 58 SER C C 58 176.527 177.519 -0.992 1
1 748 . 5 1 1 A 58 58 SER CA C 58 63.029 60.991 2.038 1
1 749 . 5 1 1 A 58 58 SER CB C 58 64.686 62.831 1.855 1
1 750 . 5 1 1 A 58 58 SER N N 58 115.984 114.924 1.060 1
1 751 . 5 1 1 A 59 59 LEU H H 59 7.288 8.279 -0.991 1
1 752 . 5 1 1 A 59 59 LEU HA H 59 4.058 4.031 0.027 1
1 762 . 5 1 1 A 59 59 LEU C C 59 175.827 178.631 -2.804 1
1 763 . 5 1 1 A 59 59 LEU CA C 59 57.364 57.893 -0.529 1
1 764 . 5 1 1 A 59 59 LEU CB C 59 42.712 41.388 1.324 1
1 768 . 5 1 1 A 59 59 LEU N N 59 120.622 122.135 -1.513 1
1 769 . 5 1 1 A 60 60 ASP H H 60 7.431 8.016 -0.585 1
1 770 . 5 1 1 A 60 60 ASP HA H 60 4.386 4.463 -0.077 1
1 773 . 5 1 1 A 60 60 ASP C C 60 175.927 178.226 -2.299 1
1 774 . 5 1 1 A 60 60 ASP CA C 60 57.012 56.497 0.515 1
1 775 . 5 1 1 A 60 60 ASP CB C 60 42.351 41.454 0.897 1
1 776 . 5 1 1 A 60 60 ASP N N 60 116.755 119.408 -2.653 1
1 777 . 5 1 1 A 61 61 LYS H H 61 7.243 7.536 -0.293 1
1 778 . 5 1 1 A 61 61 LYS HA H 61 4.223 4.119 0.104 1
1 787 . 5 1 1 A 61 61 LYS C C 61 176.527 176.207 0.320 1
1 788 . 5 1 1 A 61 61 LYS CA C 61 57.287 58.737 -1.450 1
1 789 . 5 1 1 A 61 61 LYS CB C 61 34.683 32.593 2.090 1
1 793 . 5 1 1 A 61 61 LYS N N 61 119.913 117.940 1.973 1
1 794 . 5 1 1 A 62 62 ASN H H 62 8.725 7.458 1.267 1
1 795 . 5 1 1 A 62 62 ASN HA H 62 4.462 5.282 -0.820 1
1 800 . 5 1 1 A 62 62 ASN C C 62 175.627 173.551 2.076 1
1 801 . 5 1 1 A 62 62 ASN CA C 62 55.452 51.780 3.672 1
1 802 . 5 1 1 A 62 62 ASN CB C 62 39.336 43.470 -4.134 1
1 803 . 5 1 1 A 62 62 ASN N N 62 120.247 115.250 4.997 1
1 805 . 5 1 1 A 63 63 SER H H 63 8.061 8.657 -0.596 1
1 806 . 5 1 1 A 63 63 SER HA H 63 3.957 4.818 -0.861 1
1 809 . 5 1 1 A 63 63 SER C C 63 174.827 174.365 0.462 1
1 810 . 5 1 1 A 63 63 SER CA C 63 62.954 57.529 5.425 1
1 811 . 5 1 1 A 63 63 SER CB C 63 65.586 64.387 1.199 1
1 812 . 5 1 1 A 63 63 SER N N 63 113.249 112.612 0.637 1
1 813 . 5 1 1 A 64 64 ASP H H 64 8.408 7.950 0.458 1
1 814 . 5 1 1 A 64 64 ASP HA H 64 4.573 4.853 -0.280 1
1 817 . 5 1 1 A 64 64 ASP C C 64 176.027 175.410 0.617 1
1 818 . 5 1 1 A 64 64 ASP CA C 64 55.789 53.477 2.312 1
1 819 . 5 1 1 A 64 64 ASP CB C 64 42.365 42.381 -0.016 1
1 820 . 5 1 1 A 64 64 ASP N N 64 117.587 118.547 -0.960 1
1 821 . 5 1 1 A 65 65 GLN H H 65 7.779 7.894 -0.115 1
1 822 . 5 1 1 A 65 65 GLN HA H 65 4.026 4.842 -0.816 1
1 829 . 5 1 1 A 65 65 GLN C C 65 176.827 175.057 1.770 1
1 830 . 5 1 1 A 65 65 GLN CA C 65 58.241 54.519 3.722 1
1 831 . 5 1 1 A 65 65 GLN CB C 65 31.309 31.978 -0.669 1
1 833 . 5 1 1 A 65 65 GLN N N 65 121.059 119.244 1.815 1
1 835 . 5 1 1 A 66 66 GLU H H 66 8.365 8.540 -0.175 1
1 836 . 5 1 1 A 66 66 GLU HA H 66 4.320 4.724 -0.404 1
1 841 . 5 1 1 A 66 66 GLU C C 66 176.227 175.910 0.317 1
1 842 . 5 1 1 A 66 66 GLU CA C 66 58.238 56.879 1.359 1
1 843 . 5 1 1 A 66 66 GLU CB C 66 32.567 31.128 1.439 1
1 845 . 5 1 1 A 66 66 GLU N N 66 123.061 121.511 1.550 1
1 846 . 5 1 1 A 67 67 ILE H H 67 9.350 8.563 0.787 1
1 847 . 5 1 1 A 67 67 ILE HA H 67 4.543 4.784 -0.241 1
1 857 . 5 1 1 A 67 67 ILE C C 67 178.127 175.141 2.986 1
1 858 . 5 1 1 A 67 67 ILE CA C 67 61.173 59.670 1.503 1
1 859 . 5 1 1 A 67 67 ILE CB C 67 41.460 42.366 -0.906 1
1 863 . 5 1 1 A 67 67 ILE N N 67 121.809 120.833 0.976 1
1 864 . 5 1 1 A 68 68 ASP H H 68 8.140 8.663 -0.523 1
1 865 . 5 1 1 A 68 68 ASP HA H 68 5.408 5.171 0.237 1
1 868 . 5 1 1 A 68 68 ASP C C 68 176.127 176.530 -0.403 1
1 869 . 5 1 1 A 68 68 ASP CA C 68 53.471 52.547 0.924 1
1 870 . 5 1 1 A 68 68 ASP CB C 68 43.898 41.741 2.157 1
1 871 . 5 1 1 A 68 68 ASP N N 68 122.626 125.223 -2.597 1
1 872 . 5 1 1 A 69 69 PHE H H 69 9.486 9.105 0.381 1
1 873 . 5 1 1 A 69 69 PHE HA H 69 3.397 3.887 -0.490 1
1 880 . 5 1 1 A 69 69 PHE C C 69 174.727 177.689 -2.962 1
1 881 . 5 1 1 A 69 69 PHE CA C 69 63.764 61.049 2.715 1
1 882 . 5 1 1 A 69 69 PHE CB C 69 42.009 39.176 2.833 1
1 883 . 5 1 1 A 69 69 PHE N N 69 118.584 120.362 -1.778 1
1 884 . 5 1 1 A 70 70 LYS H H 70 7.510 8.580 -1.070 1
1 885 . 5 1 1 A 70 70 LYS HA H 70 3.633 4.230 -0.597 1
1 894 . 5 1 1 A 70 70 LYS C C 70 173.627 179.387 -5.760 1
1 895 . 5 1 1 A 70 70 LYS CA C 70 61.940 59.804 2.136 1
1 896 . 5 1 1 A 70 70 LYS CB C 70 33.189 32.298 0.891 1
1 900 . 5 1 1 A 70 70 LYS N N 70 117.327 119.788 -2.461 1
1 901 . 5 1 1 A 71 71 GLU H H 71 8.151 7.718 0.433 1
1 902 . 5 1 1 A 71 71 GLU HA H 71 3.930 4.141 -0.211 1
1 907 . 5 1 1 A 71 71 GLU C C 71 173.127 178.952 -5.825 1
1 908 . 5 1 1 A 71 71 GLU CA C 71 61.000 59.297 1.703 1
1 909 . 5 1 1 A 71 71 GLU CB C 71 31.639 29.631 2.008 1
1 911 . 5 1 1 A 71 71 GLU N N 71 120.925 118.915 2.010 1
1 912 . 5 1 1 A 72 72 TYR H H 72 8.454 8.352 0.102 1
1 913 . 5 1 1 A 72 72 TYR HA H 72 4.047 4.218 -0.171 1
1 920 . 5 1 1 A 72 72 TYR C C 72 177.227 178.257 -1.030 1
1 921 . 5 1 1 A 72 72 TYR CA C 72 62.068 61.404 0.664 1
1 922 . 5 1 1 A 72 72 TYR CB C 72 39.522 38.642 0.880 1
1 923 . 5 1 1 A 72 72 TYR N N 72 123.271 122.573 0.698 1
1 924 . 5 1 1 A 73 73 SER H H 73 7.990 8.404 -0.414 1
1 925 . 5 1 1 A 73 73 SER HA H 73 3.245 4.093 -0.848 1
1 928 . 5 1 1 A 73 73 SER C C 73 174.327 176.536 -2.209 1
1 929 . 5 1 1 A 73 73 SER CA C 73 62.841 61.413 1.428 1
1 930 . 5 1 1 A 73 73 SER CB C 73 64.317 62.719 1.598 1
1 931 . 5 1 1 A 73 73 SER N N 73 115.432 114.717 0.715 1
1 932 . 5 1 1 A 74 74 VAL H H 74 8.112 8.186 -0.074 1
1 933 . 5 1 1 A 74 74 VAL HA H 74 3.375 3.849 -0.474 1
1 941 . 5 1 1 A 74 74 VAL C C 74 174.427 178.215 -3.788 1
1 942 . 5 1 1 A 74 74 VAL CA C 74 68.677 65.780 2.897 1
1 943 . 5 1 1 A 74 74 VAL CB C 74 33.164 31.468 1.696 1
1 946 . 5 1 1 A 74 74 VAL N N 74 123.807 119.253 4.554 1
1 947 . 5 1 1 A 75 75 PHE H H 75 8.149 8.227 -0.078 1
1 948 . 5 1 1 A 75 75 PHE HA H 75 3.878 4.211 -0.333 1
1 955 . 5 1 1 A 75 75 PHE C C 75 174.627 176.759 -2.132 1
1 956 . 5 1 1 A 75 75 PHE CA C 75 64.444 61.226 3.218 1
1 957 . 5 1 1 A 75 75 PHE CB C 75 40.823 39.281 1.542 1
1 958 . 5 1 1 A 75 75 PHE N N 75 122.351 123.922 -1.571 1
1 959 . 5 1 1 A 76 76 LEU H H 76 8.141 8.248 -0.107 1
1 960 . 5 1 1 A 76 76 LEU HA H 76 3.648 3.997 -0.349 1
1 970 . 5 1 1 A 76 76 LEU C C 76 173.327 179.401 -6.074 1
1 971 . 5 1 1 A 76 76 LEU CA C 76 59.810 58.029 1.781 1
1 972 . 5 1 1 A 76 76 LEU CB C 76 42.994 40.908 2.086 1
1 976 . 5 1 1 A 76 76 LEU N N 76 116.801 119.779 -2.978 1
1 977 . 5 1 1 A 77 77 THR H H 77 8.005 8.106 -0.101 1
1 978 . 5 1 1 A 77 77 THR HA H 77 3.561 3.795 -0.234 1
1 984 . 5 1 1 A 77 77 THR C C 77 176.427 175.461 0.966 1
1 985 . 5 1 1 A 77 77 THR CA C 77 69.876 66.954 2.922 1
1 986 . 5 1 1 A 77 77 THR CB C 77 71.163 68.405 2.758 1
1 988 . 5 1 1 A 77 77 THR N N 77 116.415 116.101 0.314 1
1 989 . 5 1 1 A 78 78 MET H H 78 8.059 8.503 -0.444 1
1 990 . 5 1 1 A 78 78 MET HA H 78 3.771 3.954 -0.183 1
1 995 . 5 1 1 A 78 78 MET C C 78 172.927 178.320 -5.393 1
1 996 . 5 1 1 A 78 78 MET CA C 78 60.751 58.321 2.430 1
1 997 . 5 1 1 A 78 78 MET CB C 78 33.255 31.894 1.361 1
1 999 . 5 1 1 A 78 78 MET N N 78 120.960 119.795 1.165 1
1 1000 . 5 1 1 A 79 79 LEU H H 79 8.007 8.303 -0.296 1
1 1001 . 5 1 1 A 79 79 LEU HA H 79 3.646 3.986 -0.340 1
1 1011 . 5 1 1 A 79 79 LEU C C 79 174.527 178.469 -3.942 1
1 1012 . 5 1 1 A 79 79 LEU CA C 79 59.756 57.975 1.781 1
1 1013 . 5 1 1 A 79 79 LEU CB C 79 42.961 41.660 1.301 1
1 1017 . 5 1 1 A 79 79 LEU N N 79 120.772 120.666 0.106 1
1 1018 . 5 1 1 A 80 80 CYS H H 80 8.268 8.313 -0.045 1
1 1019 . 5 1 1 A 80 80 CYS HA H 80 3.344 3.029 0.315 1
1 1022 . 5 1 1 A 80 80 CYS C C 80 176.127 176.366 -0.239 1
1 1023 . 5 1 1 A 80 80 CYS CA C 80 64.083 62.166 1.917 1
1 1024 . 5 1 1 A 80 80 CYS CB C 80 28.199 26.893 1.306 1
1 1025 . 5 1 1 A 80 80 CYS N N 80 118.257 118.173 0.084 1
1 1026 . 5 1 1 A 81 81 MET H H 81 7.600 8.337 -0.737 1
1 1027 . 5 1 1 A 81 81 MET HA H 81 3.242 4.059 -0.817 1
1 1035 . 5 1 1 A 81 81 MET C C 81 176.227 178.036 -1.809 1
1 1036 . 5 1 1 A 81 81 MET CA C 81 60.091 57.734 2.357 1
1 1037 . 5 1 1 A 81 81 MET CB C 81 34.090 32.149 1.941 1
1 1040 . 5 1 1 A 81 81 MET N N 81 114.515 118.117 -3.602 1
1 1041 . 5 1 1 A 82 82 ALA H H 82 7.299 7.585 -0.286 1
1 1042 . 5 1 1 A 82 82 ALA HA H 82 4.121 4.096 0.025 1
1 1046 . 5 1 1 A 82 82 ALA C C 82 173.827 177.644 -3.817 1
1 1047 . 5 1 1 A 82 82 ALA CA C 82 54.930 54.446 0.484 1
1 1048 . 5 1 1 A 82 82 ALA CB C 82 20.641 18.515 2.126 1
1 1049 . 5 1 1 A 82 82 ALA N N 82 118.977 122.981 -4.004 1
1 1050 . 5 1 1 A 83 83 TYR H H 83 7.623 7.119 0.504 1
1 1051 . 5 1 1 A 83 83 TYR HA H 83 4.771 4.719 0.052 1
1 1058 . 5 1 1 A 83 83 TYR CA C 83 59.333 57.069 2.264 1
1 1059 . 5 1 1 A 83 83 TYR CB C 83 41.599 39.798 1.801 1
1 1060 . 5 1 1 A 83 83 TYR N N 83 113.311 112.329 0.982 1
1 1061 . 5 1 1 A 84 84 ASN HA H 84 4.534 4.853 -0.319 1
1 1064 . 5 1 1 A 84 84 ASN CA C 84 56.126 52.227 3.899 1
1 1065 . 5 1 1 A 84 84 ASN CB C 84 41.990 36.354 5.636 1
1 1066 . 5 1 1 A 85 85 ASP H H 85 8.681 8.377 0.304 1
1 1067 . 5 1 1 A 85 85 ASP HA H 85 4.086 4.393 -0.307 1
1 1070 . 5 1 1 A 85 85 ASP CA C 85 58.457 57.300 1.157 1
1 1071 . 5 1 1 A 85 85 ASP CB C 85 42.260 39.877 2.383 1
1 1072 . 5 1 1 A 85 85 ASP N N 85 126.079 121.130 4.949 1
1 1073 . 5 1 1 A 86 86 PHE H H 86 8.672 8.025 0.647 1
1 1074 . 5 1 1 A 86 86 PHE HA H 86 3.744 4.240 -0.496 1
1 1081 . 5 1 1 A 86 86 PHE C C 86 176.827 177.005 -0.178 1
1 1082 . 5 1 1 A 86 86 PHE CA C 86 62.903 60.648 2.255 1
1 1083 . 5 1 1 A 86 86 PHE CB C 86 41.596 39.466 2.130 1
1 1084 . 5 1 1 A 86 86 PHE N N 86 121.950 121.808 0.142 1
1 1085 . 5 1 1 A 87 87 PHE H H 87 7.225 7.747 -0.522 1
1 1086 . 5 1 1 A 87 87 PHE HA H 87 3.836 4.329 -0.493 1
1 1093 . 5 1 1 A 87 87 PHE C C 87 176.927 175.865 1.062 1
1 1094 . 5 1 1 A 87 87 PHE CA C 87 60.422 59.502 0.920 1
1 1095 . 5 1 1 A 87 87 PHE CB C 87 41.081 39.476 1.605 1
1 1096 . 5 1 1 A 87 87 PHE N N 87 110.928 114.527 -3.599 1
1 1097 . 5 1 1 A 88 88 LEU H H 88 7.130 7.245 -0.115 1
1 1098 . 5 1 1 A 88 88 LEU HA H 88 4.169 4.374 -0.205 1
1 1108 . 5 1 1 A 88 88 LEU C C 88 175.027 177.402 -2.375 1
1 1109 . 5 1 1 A 88 88 LEU CA C 88 56.962 54.525 2.437 1
1 1110 . 5 1 1 A 88 88 LEU CB C 88 44.199 42.051 2.148 1
1 1114 . 5 1 1 A 88 88 LEU N N 88 119.732 119.860 -0.128 1
1 1115 . 5 1 1 A 89 89 GLU H H 89 8.097 8.945 -0.848 1
1 1116 . 5 1 1 A 89 89 GLU HA H 89 4.087 4.461 -0.374 1
1 1121 . 5 1 1 A 89 89 GLU C C 89 176.427 176.036 0.391 1
1 1122 . 5 1 1 A 89 89 GLU CA C 89 58.216 56.108 2.108 1
1 1123 . 5 1 1 A 89 89 GLU CB C 89 32.309 29.541 2.768 1
1 1125 . 5 1 1 A 89 89 GLU N N 89 121.626 120.190 1.436 1
1 1126 . 5 1 1 A 90 90 ASP H H 90 8.243 8.134 0.109 1
1 1127 . 5 1 1 A 90 90 ASP HA H 90 4.425 4.359 0.066 1
1 1130 . 5 1 1 A 90 90 ASP C C 90 176.527 176.564 -0.037 1
1 1131 . 5 1 1 A 90 90 ASP CA C 90 55.815 55.639 0.176 1
1 1132 . 5 1 1 A 90 90 ASP CB C 90 42.874 40.577 2.297 1
1 1133 . 5 1 1 A 90 90 ASP N N 90 121.280 118.300 2.980 1
1 1134 . 5 1 1 A 91 91 ASN H H 91 8.267 8.349 -0.082 1
1 1135 . 5 1 1 A 91 91 ASN HA H 91 4.563 4.722 -0.159 1
1 1140 . 5 1 1 A 91 91 ASN C C 91 178.127 175.653 2.474 1
1 1141 . 5 1 1 A 91 91 ASN CA C 91 54.928 52.515 2.413 1
1 1142 . 5 1 1 A 91 91 ASN CB C 91 40.529 38.156 2.373 1
1 1143 . 5 1 1 A 91 91 ASN N N 91 119.209 112.510 6.699 1
1 14 . 6 1 1 A 2 2 GLU H H 2 8.722 8.184 0.538 1
1 15 . 6 1 1 A 2 2 GLU HA H 2 4.557 4.099 0.458 1
1 20 . 6 1 1 A 2 2 GLU C C 2 175.827 176.108 -0.281 1
1 21 . 6 1 1 A 2 2 GLU CA C 2 58.063 59.083 -1.020 1
1 22 . 6 1 1 A 2 2 GLU CB C 2 33.147 30.284 2.863 1
1 24 . 6 1 1 A 2 2 GLU N N 2 124.627 119.965 4.662 1
1 25 . 6 1 1 A 3 3 THR H H 3 8.670 7.333 1.337 1
1 26 . 6 1 1 A 3 3 THR HA H 3 4.616 4.848 -0.232 1
1 31 . 6 1 1 A 3 3 THR CA C 3 61.734 58.928 2.806 1
1 32 . 6 1 1 A 3 3 THR CB C 3 70.590 71.110 -0.520 1
1 34 . 6 1 1 A 3 3 THR N N 3 116.274 109.030 7.244 1
1 35 . 6 1 1 A 4 4 PRO HA H 4 4.161 4.468 -0.307 1
1 42 . 6 1 1 A 4 4 PRO C C 4 172.227 178.012 -5.785 1
1 43 . 6 1 1 A 4 4 PRO CA C 4 68.211 64.894 3.317 1
1 44 . 6 1 1 A 4 4 PRO CB C 4 33.796 32.128 1.668 1
1 47 . 6 1 1 A 5 5 LEU H H 5 9.207 7.620 1.587 1
1 48 . 6 1 1 A 5 5 LEU HA H 5 4.038 4.034 0.004 1
1 58 . 6 1 1 A 5 5 LEU C C 5 174.327 178.057 -3.730 1
1 59 . 6 1 1 A 5 5 LEU CA C 5 59.483 57.261 2.222 1
1 60 . 6 1 1 A 5 5 LEU CB C 5 43.877 41.790 2.087 1
1 64 . 6 1 1 A 5 5 LEU N N 5 119.157 117.420 1.737 1
1 65 . 6 1 1 A 6 6 GLU H H 6 7.661 8.364 -0.703 1
1 66 . 6 1 1 A 6 6 GLU HA H 6 3.755 3.902 -0.147 1
1 71 . 6 1 1 A 6 6 GLU C C 6 172.727 178.981 -6.254 1
1 72 . 6 1 1 A 6 6 GLU CA C 6 61.953 59.785 2.168 1
1 73 . 6 1 1 A 6 6 GLU CB C 6 31.354 29.107 2.247 1
1 75 . 6 1 1 A 6 6 GLU N N 6 119.837 119.193 0.644 1
1 76 . 6 1 1 A 7 7 LYS H H 7 8.430 7.928 0.502 1
1 77 . 6 1 1 A 7 7 LYS HA H 7 3.921 4.129 -0.208 1
1 86 . 6 1 1 A 7 7 LYS C C 7 172.927 178.787 -5.860 1
1 87 . 6 1 1 A 7 7 LYS CA C 7 61.312 58.241 3.071 1
1 88 . 6 1 1 A 7 7 LYS CB C 7 33.861 32.017 1.844 1
1 92 . 6 1 1 A 7 7 LYS N N 7 119.023 119.109 -0.086 1
1 93 . 6 1 1 A 8 8 ALA H H 8 8.079 7.851 0.228 1
1 94 . 6 1 1 A 8 8 ALA HA H 8 4.085 4.051 0.034 1
1 98 . 6 1 1 A 8 8 ALA C C 8 173.027 180.098 -7.071 1
1 99 . 6 1 1 A 8 8 ALA CA C 8 56.967 55.183 1.784 1
1 100 . 6 1 1 A 8 8 ALA CB C 8 20.140 18.749 1.391 1
1 101 . 6 1 1 A 8 8 ALA N N 8 123.824 122.781 1.043 1
1 102 . 6 1 1 A 9 9 LEU H H 9 8.032 8.005 0.027 1
1 103 . 6 1 1 A 9 9 LEU HA H 9 4.061 3.933 0.128 1
1 113 . 6 1 1 A 9 9 LEU C C 9 172.527 179.472 -6.945 1
1 114 . 6 1 1 A 9 9 LEU CA C 9 60.071 58.022 2.049 1
1 115 . 6 1 1 A 9 9 LEU CB C 9 42.714 41.463 1.251 1
1 119 . 6 1 1 A 9 9 LEU N N 9 118.643 118.101 0.542 1
1 120 . 6 1 1 A 10 10 THR H H 10 8.686 8.238 0.448 1
1 121 . 6 1 1 A 10 10 THR HA H 10 3.798 3.926 -0.128 1
1 126 . 6 1 1 A 10 10 THR C C 10 175.127 177.083 -1.956 1
1 127 . 6 1 1 A 10 10 THR CA C 10 69.282 66.541 2.741 1
1 128 . 6 1 1 A 10 10 THR CB C 10 70.132 68.210 1.922 1
1 130 . 6 1 1 A 10 10 THR N N 10 117.087 115.938 1.149 1
1 131 . 6 1 1 A 11 11 THR H H 11 8.628 8.365 0.263 1
1 132 . 6 1 1 A 11 11 THR HA H 11 3.961 3.953 0.008 1
1 137 . 6 1 1 A 11 11 THR C C 11 174.427 176.815 -2.388 1
1 138 . 6 1 1 A 11 11 THR CA C 11 68.408 66.648 1.760 1
1 139 . 6 1 1 A 11 11 THR CB C 11 69.107 68.136 0.971 1
1 141 . 6 1 1 A 11 11 THR N N 11 120.770 117.662 3.108 1
1 142 . 6 1 1 A 12 12 MET H H 12 8.390 8.279 0.111 1
1 143 . 6 1 1 A 12 12 MET HA H 12 3.956 4.417 -0.461 1
1 151 . 6 1 1 A 12 12 MET C C 12 175.127 178.293 -3.166 1
1 152 . 6 1 1 A 12 12 MET CA C 12 62.750 58.047 4.703 1
1 153 . 6 1 1 A 12 12 MET CB C 12 34.952 33.074 1.878 1
1 156 . 6 1 1 A 12 12 MET N N 12 124.388 118.700 5.688 1
1 157 . 6 1 1 A 13 13 VAL H H 13 8.104 8.494 -0.390 1
1 158 . 6 1 1 A 13 13 VAL HA H 13 3.576 4.343 -0.767 1
1 166 . 6 1 1 A 13 13 VAL C C 13 175.327 178.088 -2.761 1
1 167 . 6 1 1 A 13 13 VAL CA C 13 68.958 65.784 3.174 1
1 168 . 6 1 1 A 13 13 VAL CB C 13 33.703 31.807 1.896 1
1 171 . 6 1 1 A 13 13 VAL N N 13 121.753 116.739 5.014 1
1 172 . 6 1 1 A 14 14 THR H H 14 9.186 8.294 0.892 1
1 173 . 6 1 1 A 14 14 THR HA H 14 3.774 4.018 -0.244 1
1 178 . 6 1 1 A 14 14 THR C C 14 173.927 176.804 -2.877 1
1 179 . 6 1 1 A 14 14 THR CA C 14 67.955 66.179 1.776 1
1 180 . 6 1 1 A 14 14 THR CB C 14 70.504 68.899 1.605 1
1 182 . 6 1 1 A 14 14 THR N N 14 114.911 116.746 -1.835 1
1 183 . 6 1 1 A 15 15 THR H H 15 8.453 8.383 0.070 1
1 184 . 6 1 1 A 15 15 THR HA H 15 3.859 4.210 -0.351 1
1 190 . 6 1 1 A 15 15 THR C C 15 178.127 176.788 1.339 1
1 191 . 6 1 1 A 15 15 THR CA C 15 69.609 65.934 3.675 1
1 192 . 6 1 1 A 15 15 THR CB C 15 70.511 68.095 2.416 1
1 194 . 6 1 1 A 15 15 THR N N 15 118.791 112.241 6.550 1
1 195 . 6 1 1 A 16 16 PHE H H 16 7.207 8.392 -1.185 1
1 196 . 6 1 1 A 16 16 PHE HA H 16 3.572 3.933 -0.361 1
1 203 . 6 1 1 A 16 16 PHE C C 16 178.527 177.084 1.443 1
1 204 . 6 1 1 A 16 16 PHE CA C 16 64.090 61.527 2.563 1
1 205 . 6 1 1 A 16 16 PHE CB C 16 41.091 38.634 2.457 1
1 206 . 6 1 1 A 16 16 PHE N N 16 121.331 123.472 -2.141 1
1 207 . 6 1 1 A 17 17 HIS H H 17 8.393 8.602 -0.209 1
1 208 . 6 1 1 A 17 17 HIS HA H 17 5.329 4.307 1.022 1
1 211 . 6 1 1 A 17 17 HIS C C 17 174.627 177.262 -2.635 1
1 212 . 6 1 1 A 17 17 HIS CA C 17 56.667 60.134 -3.467 1
1 213 . 6 1 1 A 17 17 HIS CB C 17 32.397 29.603 2.794 1
1 214 . 6 1 1 A 17 17 HIS N N 17 117.858 118.994 -1.136 1
1 215 . 6 1 1 A 18 18 LYS H H 18 7.767 7.829 -0.062 1
1 216 . 6 1 1 A 18 18 LYS HA H 18 3.553 3.981 -0.428 1
1 225 . 6 1 1 A 18 18 LYS C C 18 175.527 177.134 -1.607 1
1 226 . 6 1 1 A 18 18 LYS CA C 18 61.301 58.834 2.467 1
1 227 . 6 1 1 A 18 18 LYS CB C 18 33.523 31.859 1.664 1
1 231 . 6 1 1 A 18 18 LYS N N 18 120.691 118.853 1.838 1
1 232 . 6 1 1 A 19 19 TYR H H 19 7.079 7.533 -0.454 1
1 233 . 6 1 1 A 19 19 TYR HA H 19 3.993 4.556 -0.563 1
1 240 . 6 1 1 A 19 19 TYR C C 19 174.227 175.823 -1.596 1
1 241 . 6 1 1 A 19 19 TYR CA C 19 61.287 57.350 3.937 1
1 242 . 6 1 1 A 19 19 TYR CB C 19 42.066 38.777 3.289 1
1 243 . 6 1 1 A 19 19 TYR N N 19 114.592 117.045 -2.453 1
1 244 . 6 1 1 A 20 20 SER H H 20 9.708 7.788 1.920 1
1 245 . 6 1 1 A 20 20 SER HA H 20 4.117 4.336 -0.219 1
1 248 . 6 1 1 A 20 20 SER C C 20 175.227 175.527 -0.300 1
1 249 . 6 1 1 A 20 20 SER CA C 20 60.135 60.505 -0.370 1
1 250 . 6 1 1 A 20 20 SER CB C 20 63.159 64.093 -0.934 1
1 251 . 6 1 1 A 20 20 SER N N 20 121.764 114.238 7.526 1
1 252 . 6 1 1 A 21 21 GLY H H 21 8.146 7.731 0.415 1
1 253 . 6 1 1 A 21 21 GLY HA2 H 21 3.956 3.794 0.162 1
1 254 . 6 1 1 A 21 21 GLY HA3 H 21 3.571 3.974 -0.403 1
1 255 . 6 1 1 A 21 21 GLY C C 21 177.927 175.502 2.425 1
1 256 . 6 1 1 A 21 21 GLY CA C 21 46.646 45.458 1.188 1
1 257 . 6 1 1 A 21 21 GLY N N 21 106.982 108.241 -1.259 1
1 258 . 6 1 1 A 22 22 ARG H H 22 7.007 8.450 -1.443 1
1 259 . 6 1 1 A 22 22 ARG HA H 22 3.815 4.027 -0.212 1
1 266 . 6 1 1 A 22 22 ARG C C 22 175.927 177.547 -1.620 1
1 267 . 6 1 1 A 22 22 ARG CA C 22 60.766 59.011 1.755 1
1 268 . 6 1 1 A 22 22 ARG CB C 22 32.302 29.845 2.457 1
1 271 . 6 1 1 A 22 22 ARG N N 22 118.055 119.113 -1.058 1
1 272 . 6 1 1 A 23 23 GLU H H 23 7.551 7.670 -0.119 1
1 273 . 6 1 1 A 23 23 GLU HA H 23 4.436 4.546 -0.110 1
1 278 . 6 1 1 A 23 23 GLU C C 23 177.727 176.409 1.318 1
1 279 . 6 1 1 A 23 23 GLU CA C 23 56.853 56.417 0.436 1
1 280 . 6 1 1 A 23 23 GLU CB C 23 33.988 31.973 2.015 1
1 282 . 6 1 1 A 23 23 GLU N N 23 114.631 117.898 -3.267 1
1 283 . 6 1 1 A 24 24 GLY H H 24 8.376 7.634 0.742 1
1 284 . 6 1 1 A 24 24 GLY HA2 H 24 3.771 4.013 -0.242 1
1 285 . 6 1 1 A 24 24 GLY HA3 H 24 3.567 4.078 -0.511 1
1 286 . 6 1 1 A 24 24 GLY C C 24 177.127 172.478 4.649 1
1 287 . 6 1 1 A 24 24 GLY CA C 24 47.718 45.436 2.282 1
1 288 . 6 1 1 A 24 24 GLY N N 24 107.626 105.901 1.725 1
1 289 . 6 1 1 A 25 25 SER H H 25 8.443 8.238 0.205 1
1 290 . 6 1 1 A 25 25 SER HA H 25 4.314 4.294 0.020 1
1 293 . 6 1 1 A 25 25 SER C C 25 175.527 174.444 1.083 1
1 294 . 6 1 1 A 25 25 SER CA C 25 59.146 59.882 -0.736 1
1 295 . 6 1 1 A 25 25 SER CB C 25 65.573 63.191 2.382 1
1 296 . 6 1 1 A 25 25 SER N N 25 119.000 118.143 0.857 1
1 297 . 6 1 1 A 26 26 LYS H H 26 8.821 8.766 0.055 1
1 298 . 6 1 1 A 26 26 LYS HA H 26 4.307 3.981 0.326 1
1 307 . 6 1 1 A 26 26 LYS C C 26 176.027 177.312 -1.285 1
1 308 . 6 1 1 A 26 26 LYS CA C 26 59.180 58.187 0.993 1
1 309 . 6 1 1 A 26 26 LYS CB C 26 33.211 32.120 1.091 1
1 313 . 6 1 1 A 26 26 LYS N N 26 126.125 126.600 -0.475 1
1 314 . 6 1 1 A 27 27 LEU H H 27 8.237 7.874 0.363 1
1 315 . 6 1 1 A 27 27 LEU HA H 27 4.534 4.825 -0.291 1
1 325 . 6 1 1 A 27 27 LEU C C 27 175.627 176.169 -0.542 1
1 326 . 6 1 1 A 27 27 LEU CA C 27 56.384 54.858 1.526 1
1 327 . 6 1 1 A 27 27 LEU CB C 27 44.218 42.933 1.285 1
1 331 . 6 1 1 A 27 27 LEU N N 27 117.484 117.815 -0.331 1
1 332 . 6 1 1 A 28 28 THR H H 28 7.386 7.938 -0.552 1
1 333 . 6 1 1 A 28 28 THR HA H 28 5.517 5.495 0.022 1
1 338 . 6 1 1 A 28 28 THR C C 28 180.227 172.388 7.839 1
1 339 . 6 1 1 A 28 28 THR CA C 28 61.014 60.419 0.595 1
1 340 . 6 1 1 A 28 28 THR CB C 28 75.348 71.854 3.494 1
1 342 . 6 1 1 A 28 28 THR N N 28 106.230 109.496 -3.266 1
1 343 . 6 1 1 A 29 29 LEU H H 29 8.721 8.335 0.386 1
1 344 . 6 1 1 A 29 29 LEU HA H 29 4.713 4.772 -0.059 1
1 354 . 6 1 1 A 29 29 LEU C C 29 176.927 175.323 1.604 1
1 355 . 6 1 1 A 29 29 LEU CA C 29 55.163 53.599 1.564 1
1 356 . 6 1 1 A 29 29 LEU CB C 29 46.059 44.932 1.127 1
1 360 . 6 1 1 A 29 29 LEU N N 29 116.728 121.179 -4.451 1
1 361 . 6 1 1 A 30 30 SER H H 30 8.866 8.631 0.235 1
1 362 . 6 1 1 A 30 30 SER HA H 30 4.942 4.805 0.137 1
1 365 . 6 1 1 A 30 30 SER C C 30 176.327 175.817 0.510 1
1 366 . 6 1 1 A 30 30 SER CA C 30 59.032 57.691 1.341 1
1 367 . 6 1 1 A 30 30 SER CB C 30 67.150 64.390 2.760 1
1 368 . 6 1 1 A 30 30 SER N N 30 117.110 115.318 1.792 1
1 369 . 6 1 1 A 31 31 ARG H H 31 8.393 8.682 -0.289 1
1 370 . 6 1 1 A 31 31 ARG HA H 31 3.695 3.891 -0.196 1
1 377 . 6 1 1 A 31 31 ARG C C 31 174.127 178.427 -4.300 1
1 378 . 6 1 1 A 31 31 ARG CA C 31 62.776 58.527 4.249 1
1 379 . 6 1 1 A 31 31 ARG CB C 31 31.601 29.729 1.872 1
1 382 . 6 1 1 A 31 31 ARG N N 31 121.109 121.593 -0.484 1
1 383 . 6 1 1 A 32 32 LYS H H 32 8.264 8.504 -0.240 1
1 384 . 6 1 1 A 32 32 LYS HA H 32 3.912 3.889 0.023 1
1 393 . 6 1 1 A 32 32 LYS C C 32 172.827 179.236 -6.409 1
1 394 . 6 1 1 A 32 32 LYS CA C 32 61.591 59.622 1.969 1
1 395 . 6 1 1 A 32 32 LYS CB C 32 34.116 32.422 1.694 1
1 399 . 6 1 1 A 32 32 LYS N N 32 118.536 119.712 -1.176 1
1 400 . 6 1 1 A 33 33 GLU H H 33 7.790 7.943 -0.153 1
1 401 . 6 1 1 A 33 33 GLU HA H 33 4.049 4.095 -0.046 1
1 406 . 6 1 1 A 33 33 GLU C C 33 174.327 178.580 -4.253 1
1 407 . 6 1 1 A 33 33 GLU CA C 33 60.634 59.267 1.367 1
1 408 . 6 1 1 A 33 33 GLU CB C 33 31.617 28.890 2.727 1
1 410 . 6 1 1 A 33 33 GLU N N 33 121.557 118.686 2.871 1
1 411 . 6 1 1 A 34 34 LEU H H 34 8.388 7.814 0.574 1
1 412 . 6 1 1 A 34 34 LEU HA H 34 3.844 3.795 0.049 1
1 422 . 6 1 1 A 34 34 LEU C C 34 174.927 177.962 -3.035 1
1 423 . 6 1 1 A 34 34 LEU CA C 34 59.173 57.760 1.413 1
1 424 . 6 1 1 A 34 34 LEU CB C 34 42.053 41.517 0.536 1
1 428 . 6 1 1 A 34 34 LEU N N 34 120.999 121.247 -0.248 1
1 429 . 6 1 1 A 35 35 LYS H H 35 7.817 7.767 0.050 1
1 430 . 6 1 1 A 35 35 LYS HA H 35 3.478 3.852 -0.374 1
1 439 . 6 1 1 A 35 35 LYS C C 35 174.627 178.779 -4.152 1
1 440 . 6 1 1 A 35 35 LYS CA C 35 62.312 58.761 3.551 1
1 441 . 6 1 1 A 35 35 LYS CB C 35 33.814 31.753 2.061 1
1 445 . 6 1 1 A 35 35 LYS N N 35 118.738 117.313 1.425 1
1 446 . 6 1 1 A 36 36 GLU H H 36 7.208 7.476 -0.268 1
1 447 . 6 1 1 A 36 36 GLU HA H 36 3.801 4.000 -0.199 1
1 452 . 6 1 1 A 36 36 GLU C C 36 175.227 178.220 -2.993 1
1 453 . 6 1 1 A 36 36 GLU CA C 36 61.015 58.981 2.034 1
1 454 . 6 1 1 A 36 36 GLU CB C 36 30.770 29.256 1.514 1
1 456 . 6 1 1 A 36 36 GLU N N 36 118.771 119.404 -0.633 1
1 457 . 6 1 1 A 37 37 LEU H H 37 8.038 7.709 0.329 1
1 458 . 6 1 1 A 37 37 LEU HA H 37 3.178 3.477 -0.299 1
1 468 . 6 1 1 A 37 37 LEU C C 37 172.927 178.517 -5.590 1
1 469 . 6 1 1 A 37 37 LEU CA C 37 60.915 57.820 3.095 1
1 470 . 6 1 1 A 37 37 LEU CB C 37 43.352 41.198 2.154 1
1 474 . 6 1 1 A 37 37 LEU N N 37 121.767 120.307 1.460 1
1 475 . 6 1 1 A 38 38 ILE H H 38 8.224 7.702 0.522 1
1 476 . 6 1 1 A 38 38 ILE HA H 38 3.234 3.999 -0.765 1
1 486 . 6 1 1 A 38 38 ILE C C 38 174.727 176.814 -2.087 1
1 487 . 6 1 1 A 38 38 ILE CA C 38 66.464 63.582 2.882 1
1 488 . 6 1 1 A 38 38 ILE CB C 38 38.799 37.694 1.105 1
1 492 . 6 1 1 A 38 38 ILE N N 38 119.417 119.652 -0.235 1
1 493 . 6 1 1 A 39 39 LYS H H 39 7.700 7.774 -0.074 1
1 494 . 6 1 1 A 39 39 LYS HA H 39 3.894 4.449 -0.555 1
1 503 . 6 1 1 A 39 39 LYS C C 39 173.727 177.190 -3.463 1
1 504 . 6 1 1 A 39 39 LYS CA C 39 61.015 55.970 5.045 1
1 505 . 6 1 1 A 39 39 LYS CB C 39 34.100 32.823 1.277 1
1 509 . 6 1 1 A 39 39 LYS N N 39 117.277 119.771 -2.494 1
1 510 . 6 1 1 A 40 40 LYS H H 40 8.170 7.701 0.469 1
1 511 . 6 1 1 A 40 40 LYS HA H 40 4.226 4.369 -0.143 1
1 520 . 6 1 1 A 40 40 LYS C C 40 173.427 177.973 -4.546 1
1 521 . 6 1 1 A 40 40 LYS CA C 40 59.251 57.480 1.771 1
1 522 . 6 1 1 A 40 40 LYS CB C 40 35.528 33.745 1.783 1
1 526 . 6 1 1 A 40 40 LYS N N 40 115.146 118.288 -3.142 1
1 527 . 6 1 1 A 41 41 GLU H H 41 8.778 8.374 0.404 1
1 528 . 6 1 1 A 41 41 GLU HA H 41 4.629 4.576 0.053 1
1 533 . 6 1 1 A 41 41 GLU C C 41 175.527 175.476 0.051 1
1 534 . 6 1 1 A 41 41 GLU CA C 41 57.177 56.035 1.142 1
1 535 . 6 1 1 A 41 41 GLU CB C 41 31.656 31.637 0.019 1
1 537 . 6 1 1 A 41 41 GLU N N 41 113.604 116.205 -2.601 1
1 538 . 6 1 1 A 42 42 LEU H H 42 7.610 7.276 0.334 1
1 539 . 6 1 1 A 42 42 LEU HA H 42 4.475 4.901 -0.426 1
1 549 . 6 1 1 A 42 42 LEU C C 42 177.227 175.625 1.602 1
1 550 . 6 1 1 A 42 42 LEU CA C 42 56.047 53.053 2.994 1
1 551 . 6 1 1 A 42 42 LEU CB C 42 45.748 45.915 -0.167 1
1 555 . 6 1 1 A 42 42 LEU N N 42 118.997 120.589 -1.592 1
1 556 . 6 1 1 A 43 43 CYS H H 43 8.501 8.436 0.065 1
1 557 . 6 1 1 A 43 43 CYS HA H 43 4.397 5.093 -0.696 1
1 560 . 6 1 1 A 43 43 CYS C C 43 177.327 172.644 4.683 1
1 561 . 6 1 1 A 43 43 CYS CA C 43 60.023 58.338 1.685 1
1 562 . 6 1 1 A 43 43 CYS CB C 43 27.915 30.570 -2.655 1
1 563 . 6 1 1 A 43 43 CYS N N 43 119.622 119.182 0.440 1
1 564 . 6 1 1 A 44 44 LEU H H 44 8.200 8.694 -0.494 1
1 565 . 6 1 1 A 44 44 LEU HA H 44 3.979 4.426 -0.447 1
1 575 . 6 1 1 A 44 44 LEU C C 44 173.927 177.464 -3.537 1
1 576 . 6 1 1 A 44 44 LEU CA C 44 57.244 55.075 2.169 1
1 577 . 6 1 1 A 44 44 LEU CB C 44 43.622 44.160 -0.538 1
1 581 . 6 1 1 A 44 44 LEU N N 44 121.955 123.944 -1.989 1
1 582 . 6 1 1 A 45 45 GLY H H 45 8.244 8.345 -0.101 1
1 583 . 6 1 1 A 45 45 GLY HA2 H 45 3.849 3.893 -0.044 1
1 584 . 6 1 1 A 45 45 GLY HA3 H 45 3.789 3.955 -0.166 1
1 585 . 6 1 1 A 45 45 GLY C C 45 178.027 174.493 3.534 1
1 586 . 6 1 1 A 45 45 GLY CA C 45 47.023 46.624 0.399 1
1 587 . 6 1 1 A 45 45 GLY N N 45 107.702 109.646 -1.944 1
1 588 . 6 1 1 A 46 46 GLU H H 46 8.286 7.945 0.341 1
1 589 . 6 1 1 A 46 46 GLU HA H 46 4.039 4.431 -0.392 1
1 594 . 6 1 1 A 46 46 GLU C C 46 175.127 176.934 -1.807 1
1 595 . 6 1 1 A 46 46 GLU CA C 46 59.176 55.494 3.682 1
1 596 . 6 1 1 A 46 46 GLU CB C 46 31.361 29.520 1.841 1
1 598 . 6 1 1 A 46 46 GLU N N 46 119.602 116.042 3.560 1
1 599 . 6 1 1 A 47 47 MET H H 47 8.048 8.174 -0.126 1
1 600 . 6 1 1 A 47 47 MET HA H 47 4.229 4.640 -0.411 1
1 608 . 6 1 1 A 47 47 MET C C 47 175.727 175.337 0.390 1
1 609 . 6 1 1 A 47 47 MET CA C 47 58.183 56.106 2.077 1
1 610 . 6 1 1 A 47 47 MET CB C 47 34.087 35.079 -0.992 1
1 613 . 6 1 1 A 47 47 MET N N 47 119.617 118.976 0.641 1
1 614 . 6 1 1 A 48 48 LYS H H 48 8.221 7.046 1.175 1
1 615 . 6 1 1 A 48 48 LYS HA H 48 4.217 4.532 -0.315 1
1 624 . 6 1 1 A 48 48 LYS C C 48 174.927 176.637 -1.710 1
1 625 . 6 1 1 A 48 48 LYS CA C 48 58.304 54.313 3.991 1
1 626 . 6 1 1 A 48 48 LYS CB C 48 34.548 34.809 -0.261 1
1 630 . 6 1 1 A 48 48 LYS N N 48 120.987 114.281 6.706 1
1 631 . 6 1 1 A 49 49 GLU H H 49 8.346 8.928 -0.582 1
1 632 . 6 1 1 A 49 49 GLU HA H 49 3.922 4.098 -0.176 1
1 637 . 6 1 1 A 49 49 GLU C C 49 174.427 175.771 -1.344 1
1 638 . 6 1 1 A 49 49 GLU CA C 49 60.298 59.227 1.071 1
1 639 . 6 1 1 A 49 49 GLU CB C 49 31.065 29.053 2.012 1
1 641 . 6 1 1 A 49 49 GLU N N 49 121.867 119.101 2.766 1
1 642 . 6 1 1 A 50 50 SER H H 50 8.348 7.845 0.503 1
1 643 . 6 1 1 A 50 50 SER HA H 50 4.172 4.767 -0.595 1
1 647 . 6 1 1 A 50 50 SER C C 50 176.027 173.556 2.471 1
1 648 . 6 1 1 A 50 50 SER CA C 50 62.548 57.362 5.186 1
1 649 . 6 1 1 A 50 50 SER CB C 50 64.840 67.024 -2.184 1
1 650 . 6 1 1 A 50 50 SER N N 50 115.695 113.113 2.582 1
1 651 . 6 1 1 A 51 51 SER H H 51 7.980 8.750 -0.770 1
1 652 . 6 1 1 A 51 51 SER HA H 51 4.258 4.157 0.101 1
1 655 . 6 1 1 A 51 51 SER C C 51 174.427 174.595 -0.168 1
1 656 . 6 1 1 A 51 51 SER CA C 51 62.828 61.059 1.769 1
1 657 . 6 1 1 A 51 51 SER CB C 51 64.749 61.027 3.722 1
1 658 . 6 1 1 A 51 51 SER N N 51 117.126 113.042 4.084 1
1 659 . 6 1 1 A 52 52 ILE H H 52 7.365 8.244 -0.879 1
1 660 . 6 1 1 A 52 52 ILE HA H 52 4.038 3.809 0.229 1
1 670 . 6 1 1 A 52 52 ILE C C 52 175.627 177.290 -1.663 1
1 671 . 6 1 1 A 52 52 ILE CA C 52 64.609 63.882 0.727 1
1 672 . 6 1 1 A 52 52 ILE CB C 52 39.272 37.793 1.479 1
1 676 . 6 1 1 A 52 52 ILE N N 52 117.484 121.028 -3.544 1
1 677 . 6 1 1 A 53 53 ASP H H 53 7.681 8.494 -0.813 1
1 678 . 6 1 1 A 53 53 ASP HA H 53 4.214 4.335 -0.121 1
1 681 . 6 1 1 A 53 53 ASP C C 53 174.027 177.907 -3.880 1
1 682 . 6 1 1 A 53 53 ASP CA C 53 59.799 57.840 1.959 1
1 683 . 6 1 1 A 53 53 ASP CB C 53 42.927 41.449 1.478 1
1 684 . 6 1 1 A 53 53 ASP N N 53 121.969 121.856 0.113 1
1 685 . 6 1 1 A 54 54 ASP H H 54 8.227 8.095 0.132 1
1 686 . 6 1 1 A 54 54 ASP HA H 54 4.231 4.402 -0.171 1
1 689 . 6 1 1 A 54 54 ASP C C 54 172.927 178.816 -5.889 1
1 690 . 6 1 1 A 54 54 ASP CA C 54 59.507 56.601 2.906 1
1 691 . 6 1 1 A 54 54 ASP CB C 54 41.818 40.715 1.103 1
1 692 . 6 1 1 A 54 54 ASP N N 54 118.083 119.338 -1.255 1
1 693 . 6 1 1 A 55 55 LEU H H 55 7.650 7.735 -0.085 1
1 694 . 6 1 1 A 55 55 LEU HA H 55 4.016 3.998 0.018 1
1 704 . 6 1 1 A 55 55 LEU C C 55 171.927 179.204 -7.277 1
1 705 . 6 1 1 A 55 55 LEU CA C 55 59.965 58.014 1.951 1
1 706 . 6 1 1 A 55 55 LEU CB C 55 43.370 41.216 2.154 1
1 710 . 6 1 1 A 55 55 LEU N N 55 121.634 119.479 2.155 1
1 711 . 6 1 1 A 56 56 MET H H 56 8.429 8.733 -0.304 1
1 712 . 6 1 1 A 56 56 MET HA H 56 4.325 4.180 0.145 1
1 720 . 6 1 1 A 56 56 MET C C 56 172.527 179.025 -6.498 1
1 721 . 6 1 1 A 56 56 MET CA C 56 59.221 59.723 -0.502 1
1 722 . 6 1 1 A 56 56 MET CB C 56 34.106 33.008 1.098 1
1 725 . 6 1 1 A 56 56 MET N N 56 118.696 117.555 1.141 1
1 726 . 6 1 1 A 57 57 LYS H H 57 8.249 8.258 -0.009 1
1 727 . 6 1 1 A 57 57 LYS HA H 57 3.996 4.225 -0.229 1
1 736 . 6 1 1 A 57 57 LYS C C 57 172.527 178.748 -6.221 1
1 737 . 6 1 1 A 57 57 LYS CA C 57 60.872 59.058 1.814 1
1 738 . 6 1 1 A 57 57 LYS CB C 57 33.853 32.154 1.699 1
1 742 . 6 1 1 A 57 57 LYS N N 57 119.855 119.562 0.293 1
1 743 . 6 1 1 A 58 58 SER H H 58 7.729 8.367 -0.638 1
1 744 . 6 1 1 A 58 58 SER HA H 58 4.125 4.372 -0.247 1
1 747 . 6 1 1 A 58 58 SER C C 58 176.527 175.222 1.305 1
1 748 . 6 1 1 A 58 58 SER CA C 58 63.029 60.795 2.234 1
1 749 . 6 1 1 A 58 58 SER CB C 58 64.686 63.129 1.557 1
1 750 . 6 1 1 A 58 58 SER N N 58 115.984 117.029 -1.045 1
1 751 . 6 1 1 A 59 59 LEU H H 59 7.288 7.884 -0.596 1
1 752 . 6 1 1 A 59 59 LEU HA H 59 4.058 4.289 -0.231 1
1 762 . 6 1 1 A 59 59 LEU C C 59 175.827 178.277 -2.450 1
1 763 . 6 1 1 A 59 59 LEU CA C 59 57.364 56.278 1.086 1
1 764 . 6 1 1 A 59 59 LEU CB C 59 42.712 42.856 -0.144 1
1 768 . 6 1 1 A 59 59 LEU N N 59 120.622 119.223 1.399 1
1 769 . 6 1 1 A 60 60 ASP H H 60 7.431 8.283 -0.852 1
1 770 . 6 1 1 A 60 60 ASP HA H 60 4.386 4.320 0.066 1
1 773 . 6 1 1 A 60 60 ASP C C 60 175.927 178.768 -2.841 1
1 774 . 6 1 1 A 60 60 ASP CA C 60 57.012 57.468 -0.456 1
1 775 . 6 1 1 A 60 60 ASP CB C 60 42.351 39.916 2.435 1
1 776 . 6 1 1 A 60 60 ASP N N 60 116.755 119.949 -3.194 1
1 777 . 6 1 1 A 61 61 LYS H H 61 7.243 8.902 -1.659 1
1 778 . 6 1 1 A 61 61 LYS HA H 61 4.223 4.147 0.076 1
1 787 . 6 1 1 A 61 61 LYS C C 61 176.527 177.049 -0.522 1
1 788 . 6 1 1 A 61 61 LYS CA C 61 57.287 58.436 -1.149 1
1 789 . 6 1 1 A 61 61 LYS CB C 61 34.683 31.219 3.464 1
1 793 . 6 1 1 A 61 61 LYS N N 61 119.913 118.068 1.845 1
1 794 . 6 1 1 A 62 62 ASN H H 62 8.725 7.802 0.923 1
1 795 . 6 1 1 A 62 62 ASN HA H 62 4.462 4.838 -0.376 1
1 800 . 6 1 1 A 62 62 ASN C C 62 175.627 176.384 -0.757 1
1 801 . 6 1 1 A 62 62 ASN CA C 62 55.452 53.891 1.561 1
1 802 . 6 1 1 A 62 62 ASN CB C 62 39.336 40.161 -0.825 1
1 803 . 6 1 1 A 62 62 ASN N N 62 120.247 117.194 3.053 1
1 805 . 6 1 1 A 63 63 SER H H 63 8.061 7.838 0.223 1
1 806 . 6 1 1 A 63 63 SER HA H 63 3.957 4.442 -0.485 1
1 809 . 6 1 1 A 63 63 SER C C 63 174.827 174.016 0.811 1
1 810 . 6 1 1 A 63 63 SER CA C 63 62.954 60.229 2.725 1
1 811 . 6 1 1 A 63 63 SER CB C 63 65.586 61.450 4.136 1
1 812 . 6 1 1 A 63 63 SER N N 63 113.249 114.448 -1.199 1
1 813 . 6 1 1 A 64 64 ASP H H 64 8.408 8.333 0.075 1
1 814 . 6 1 1 A 64 64 ASP HA H 64 4.573 4.548 0.025 1
1 817 . 6 1 1 A 64 64 ASP C C 64 176.027 176.444 -0.417 1
1 818 . 6 1 1 A 64 64 ASP CA C 64 55.789 56.114 -0.325 1
1 819 . 6 1 1 A 64 64 ASP CB C 64 42.365 41.433 0.932 1
1 820 . 6 1 1 A 64 64 ASP N N 64 117.587 117.696 -0.109 1
1 821 . 6 1 1 A 65 65 GLN H H 65 7.779 7.654 0.125 1
1 822 . 6 1 1 A 65 65 GLN HA H 65 4.026 4.416 -0.390 1
1 829 . 6 1 1 A 65 65 GLN C C 65 176.827 175.415 1.412 1
1 830 . 6 1 1 A 65 65 GLN CA C 65 58.241 56.076 2.165 1
1 831 . 6 1 1 A 65 65 GLN CB C 65 31.309 29.288 2.021 1
1 833 . 6 1 1 A 65 65 GLN N N 65 121.059 119.493 1.566 1
1 835 . 6 1 1 A 66 66 GLU H H 66 8.365 8.699 -0.334 1
1 836 . 6 1 1 A 66 66 GLU HA H 66 4.320 4.713 -0.393 1
1 841 . 6 1 1 A 66 66 GLU C C 66 176.227 176.385 -0.158 1
1 842 . 6 1 1 A 66 66 GLU CA C 66 58.238 56.836 1.402 1
1 843 . 6 1 1 A 66 66 GLU CB C 66 32.567 30.424 2.143 1
1 845 . 6 1 1 A 66 66 GLU N N 66 123.061 121.106 1.955 1
1 846 . 6 1 1 A 67 67 ILE H H 67 9.350 8.904 0.446 1
1 847 . 6 1 1 A 67 67 ILE HA H 67 4.543 4.787 -0.244 1
1 857 . 6 1 1 A 67 67 ILE C C 67 178.127 173.948 4.179 1
1 858 . 6 1 1 A 67 67 ILE CA C 67 61.173 59.634 1.539 1
1 859 . 6 1 1 A 67 67 ILE CB C 67 41.460 41.453 0.007 1
1 863 . 6 1 1 A 67 67 ILE N N 67 121.809 122.691 -0.882 1
1 864 . 6 1 1 A 68 68 ASP H H 68 8.140 8.709 -0.569 1
1 865 . 6 1 1 A 68 68 ASP HA H 68 5.408 5.199 0.209 1
1 868 . 6 1 1 A 68 68 ASP C C 68 176.127 177.252 -1.125 1
1 869 . 6 1 1 A 68 68 ASP CA C 68 53.471 53.939 -0.468 1
1 870 . 6 1 1 A 68 68 ASP CB C 68 43.898 42.602 1.296 1
1 871 . 6 1 1 A 68 68 ASP N N 68 122.626 126.792 -4.166 1
1 872 . 6 1 1 A 69 69 PHE H H 69 9.486 8.839 0.647 1
1 873 . 6 1 1 A 69 69 PHE HA H 69 3.397 3.912 -0.515 1
1 880 . 6 1 1 A 69 69 PHE C C 69 174.727 177.927 -3.200 1
1 881 . 6 1 1 A 69 69 PHE CA C 69 63.764 60.509 3.255 1
1 882 . 6 1 1 A 69 69 PHE CB C 69 42.009 38.694 3.315 1
1 883 . 6 1 1 A 69 69 PHE N N 69 118.584 125.305 -6.721 1
1 884 . 6 1 1 A 70 70 LYS H H 70 7.510 8.584 -1.074 1
1 885 . 6 1 1 A 70 70 LYS HA H 70 3.633 3.977 -0.344 1
1 894 . 6 1 1 A 70 70 LYS C C 70 173.627 179.674 -6.047 1
1 895 . 6 1 1 A 70 70 LYS CA C 70 61.940 59.488 2.452 1
1 896 . 6 1 1 A 70 70 LYS CB C 70 33.189 32.234 0.955 1
1 900 . 6 1 1 A 70 70 LYS N N 70 117.327 120.722 -3.395 1
1 901 . 6 1 1 A 71 71 GLU H H 71 8.151 7.742 0.409 1
1 902 . 6 1 1 A 71 71 GLU HA H 71 3.930 4.164 -0.234 1
1 907 . 6 1 1 A 71 71 GLU C C 71 173.127 179.013 -5.886 1
1 908 . 6 1 1 A 71 71 GLU CA C 71 61.000 59.213 1.787 1
1 909 . 6 1 1 A 71 71 GLU CB C 71 31.639 29.657 1.982 1
1 911 . 6 1 1 A 71 71 GLU N N 71 120.925 120.435 0.490 1
1 912 . 6 1 1 A 72 72 TYR H H 72 8.454 7.811 0.643 1
1 913 . 6 1 1 A 72 72 TYR HA H 72 4.047 4.339 -0.292 1
1 920 . 6 1 1 A 72 72 TYR C C 72 177.227 177.746 -0.519 1
1 921 . 6 1 1 A 72 72 TYR CA C 72 62.068 61.186 0.882 1
1 922 . 6 1 1 A 72 72 TYR CB C 72 39.522 38.650 0.872 1
1 923 . 6 1 1 A 72 72 TYR N N 72 123.271 122.595 0.676 1
1 924 . 6 1 1 A 73 73 SER H H 73 7.990 8.487 -0.497 1
1 925 . 6 1 1 A 73 73 SER HA H 73 3.245 4.052 -0.807 1
1 928 . 6 1 1 A 73 73 SER C C 73 174.327 176.640 -2.313 1
1 929 . 6 1 1 A 73 73 SER CA C 73 62.841 61.640 1.201 1
1 930 . 6 1 1 A 73 73 SER CB C 73 64.317 63.013 1.304 1
1 931 . 6 1 1 A 73 73 SER N N 73 115.432 115.062 0.370 1
1 932 . 6 1 1 A 74 74 VAL H H 74 8.112 8.242 -0.130 1
1 933 . 6 1 1 A 74 74 VAL HA H 74 3.375 3.819 -0.444 1
1 941 . 6 1 1 A 74 74 VAL C C 74 174.427 178.173 -3.746 1
1 942 . 6 1 1 A 74 74 VAL CA C 74 68.677 65.707 2.970 1
1 943 . 6 1 1 A 74 74 VAL CB C 74 33.164 31.537 1.627 1
1 946 . 6 1 1 A 74 74 VAL N N 74 123.807 119.322 4.485 1
1 947 . 6 1 1 A 75 75 PHE H H 75 8.149 8.407 -0.258 1
1 948 . 6 1 1 A 75 75 PHE HA H 75 3.878 4.231 -0.353 1
1 955 . 6 1 1 A 75 75 PHE C C 75 174.627 176.984 -2.357 1
1 956 . 6 1 1 A 75 75 PHE CA C 75 64.444 61.445 2.999 1
1 957 . 6 1 1 A 75 75 PHE CB C 75 40.823 39.149 1.674 1
1 958 . 6 1 1 A 75 75 PHE N N 75 122.351 124.067 -1.716 1
1 959 . 6 1 1 A 76 76 LEU H H 76 8.141 8.704 -0.563 1
1 960 . 6 1 1 A 76 76 LEU HA H 76 3.648 3.858 -0.210 1
1 970 . 6 1 1 A 76 76 LEU C C 76 173.327 179.149 -5.822 1
1 971 . 6 1 1 A 76 76 LEU CA C 76 59.810 58.100 1.710 1
1 972 . 6 1 1 A 76 76 LEU CB C 76 42.994 41.719 1.275 1
1 976 . 6 1 1 A 76 76 LEU N N 76 116.801 119.709 -2.908 1
1 977 . 6 1 1 A 77 77 THR H H 77 8.005 8.392 -0.387 1
1 978 . 6 1 1 A 77 77 THR HA H 77 3.561 3.754 -0.193 1
1 984 . 6 1 1 A 77 77 THR C C 77 176.427 175.614 0.813 1
1 985 . 6 1 1 A 77 77 THR CA C 77 69.876 66.444 3.432 1
1 986 . 6 1 1 A 77 77 THR CB C 77 71.163 68.086 3.077 1
1 988 . 6 1 1 A 77 77 THR N N 77 116.415 115.949 0.466 1
1 989 . 6 1 1 A 78 78 MET H H 78 8.059 8.648 -0.589 1
1 990 . 6 1 1 A 78 78 MET HA H 78 3.771 3.976 -0.205 1
1 995 . 6 1 1 A 78 78 MET C C 78 172.927 178.284 -5.357 1
1 996 . 6 1 1 A 78 78 MET CA C 78 60.751 58.508 2.243 1
1 997 . 6 1 1 A 78 78 MET CB C 78 33.255 31.891 1.364 1
1 999 . 6 1 1 A 78 78 MET N N 78 120.960 119.703 1.257 1
1 1000 . 6 1 1 A 79 79 LEU H H 79 8.007 8.465 -0.458 1
1 1001 . 6 1 1 A 79 79 LEU HA H 79 3.646 4.006 -0.360 1
1 1011 . 6 1 1 A 79 79 LEU C C 79 174.527 178.713 -4.186 1
1 1012 . 6 1 1 A 79 79 LEU CA C 79 59.756 57.938 1.818 1
1 1013 . 6 1 1 A 79 79 LEU CB C 79 42.961 41.500 1.461 1
1 1017 . 6 1 1 A 79 79 LEU N N 79 120.772 119.921 0.851 1
1 1018 . 6 1 1 A 80 80 CYS H H 80 8.268 8.372 -0.104 1
1 1019 . 6 1 1 A 80 80 CYS HA H 80 3.344 3.667 -0.323 1
1 1022 . 6 1 1 A 80 80 CYS C C 80 176.127 176.435 -0.308 1
1 1023 . 6 1 1 A 80 80 CYS CA C 80 64.083 62.504 1.579 1
1 1024 . 6 1 1 A 80 80 CYS CB C 80 28.199 26.734 1.465 1
1 1025 . 6 1 1 A 80 80 CYS N N 80 118.257 118.313 -0.056 1
1 1026 . 6 1 1 A 81 81 MET H H 81 7.600 8.601 -1.001 1
1 1027 . 6 1 1 A 81 81 MET HA H 81 3.242 4.069 -0.827 1
1 1035 . 6 1 1 A 81 81 MET C C 81 176.227 177.833 -1.606 1
1 1036 . 6 1 1 A 81 81 MET CA C 81 60.091 57.891 2.200 1
1 1037 . 6 1 1 A 81 81 MET CB C 81 34.090 32.397 1.693 1
1 1040 . 6 1 1 A 81 81 MET N N 81 114.515 118.298 -3.783 1
1 1041 . 6 1 1 A 82 82 ALA H H 82 7.299 7.849 -0.550 1
1 1042 . 6 1 1 A 82 82 ALA HA H 82 4.121 4.192 -0.071 1
1 1046 . 6 1 1 A 82 82 ALA C C 82 173.827 177.268 -3.441 1
1 1047 . 6 1 1 A 82 82 ALA CA C 82 54.930 54.088 0.842 1
1 1048 . 6 1 1 A 82 82 ALA CB C 82 20.641 18.223 2.418 1
1 1049 . 6 1 1 A 82 82 ALA N N 82 118.977 122.017 -3.040 1
1 1050 . 6 1 1 A 83 83 TYR H H 83 7.623 7.712 -0.089 1
1 1051 . 6 1 1 A 83 83 TYR HA H 83 4.771 4.955 -0.184 1
1 1058 . 6 1 1 A 83 83 TYR CA C 83 59.333 57.347 1.986 1
1 1059 . 6 1 1 A 83 83 TYR CB C 83 41.599 39.941 1.658 1
1 1060 . 6 1 1 A 83 83 TYR N N 83 113.311 114.343 -1.032 1
1 1061 . 6 1 1 A 84 84 ASN HA H 84 4.534 5.124 -0.590 1
1 1064 . 6 1 1 A 84 84 ASN CA C 84 56.126 54.233 1.893 1
1 1065 . 6 1 1 A 84 84 ASN CB C 84 41.990 38.372 3.618 1
1 1066 . 6 1 1 A 85 85 ASP H H 85 8.681 8.341 0.340 1
1 1067 . 6 1 1 A 85 85 ASP HA H 85 4.086 4.517 -0.431 1
1 1070 . 6 1 1 A 85 85 ASP CA C 85 58.457 56.600 1.857 1
1 1071 . 6 1 1 A 85 85 ASP CB C 85 42.260 41.324 0.936 1
1 1072 . 6 1 1 A 85 85 ASP N N 85 126.079 119.665 6.414 1
1 1073 . 6 1 1 A 86 86 PHE H H 86 8.672 7.915 0.757 1
1 1074 . 6 1 1 A 86 86 PHE HA H 86 3.744 4.293 -0.549 1
1 1081 . 6 1 1 A 86 86 PHE C C 86 176.827 177.283 -0.456 1
1 1082 . 6 1 1 A 86 86 PHE CA C 86 62.903 61.003 1.900 1
1 1083 . 6 1 1 A 86 86 PHE CB C 86 41.596 38.420 3.176 1
1 1084 . 6 1 1 A 86 86 PHE N N 86 121.950 118.239 3.711 1
1 1085 . 6 1 1 A 87 87 PHE H H 87 7.225 7.973 -0.748 1
1 1086 . 6 1 1 A 87 87 PHE HA H 87 3.836 4.571 -0.735 1
1 1093 . 6 1 1 A 87 87 PHE C C 87 176.927 175.117 1.810 1
1 1094 . 6 1 1 A 87 87 PHE CA C 87 60.422 58.588 1.834 1
1 1095 . 6 1 1 A 87 87 PHE CB C 87 41.081 39.357 1.724 1
1 1096 . 6 1 1 A 87 87 PHE N N 87 110.928 116.706 -5.778 1
1 1097 . 6 1 1 A 88 88 LEU H H 88 7.130 7.867 -0.737 1
1 1098 . 6 1 1 A 88 88 LEU HA H 88 4.169 4.515 -0.346 1
1 1108 . 6 1 1 A 88 88 LEU C C 88 175.027 176.569 -1.542 1
1 1109 . 6 1 1 A 88 88 LEU CA C 88 56.962 54.374 2.588 1
1 1110 . 6 1 1 A 88 88 LEU CB C 88 44.199 42.974 1.225 1
1 1114 . 6 1 1 A 88 88 LEU N N 88 119.732 121.753 -2.021 1
1 1115 . 6 1 1 A 89 89 GLU H H 89 8.097 8.295 -0.198 1
1 1116 . 6 1 1 A 89 89 GLU HA H 89 4.087 4.599 -0.512 1
1 1121 . 6 1 1 A 89 89 GLU C C 89 176.427 176.000 0.427 1
1 1122 . 6 1 1 A 89 89 GLU CA C 89 58.216 55.378 2.838 1
1 1123 . 6 1 1 A 89 89 GLU CB C 89 32.309 31.468 0.841 1
1 1125 . 6 1 1 A 89 89 GLU N N 89 121.626 121.591 0.035 1
1 1126 . 6 1 1 A 90 90 ASP H H 90 8.243 8.262 -0.019 1
1 1127 . 6 1 1 A 90 90 ASP HA H 90 4.425 4.357 0.068 1
1 1130 . 6 1 1 A 90 90 ASP C C 90 176.527 176.502 0.025 1
1 1131 . 6 1 1 A 90 90 ASP CA C 90 55.815 55.511 0.304 1
1 1132 . 6 1 1 A 90 90 ASP CB C 90 42.874 40.529 2.345 1
1 1133 . 6 1 1 A 90 90 ASP N N 90 121.280 118.823 2.457 1
1 1134 . 6 1 1 A 91 91 ASN H H 91 8.267 8.228 0.039 1
1 1135 . 6 1 1 A 91 91 ASN HA H 91 4.563 4.376 0.187 1
1 1140 . 6 1 1 A 91 91 ASN C C 91 178.127 175.168 2.959 1
1 1141 . 6 1 1 A 91 91 ASN CA C 91 54.928 56.436 -1.508 1
1 1142 . 6 1 1 A 91 91 ASN CB C 91 40.529 38.834 1.695 1
1 1143 . 6 1 1 A 91 91 ASN N N 91 119.209 116.862 2.347 1
1 14 . 7 1 1 A 2 2 GLU H H 2 8.722 8.413 0.309 1
1 15 . 7 1 1 A 2 2 GLU HA H 2 4.557 4.347 0.210 1
1 20 . 7 1 1 A 2 2 GLU C C 2 175.827 175.731 0.096 1
1 21 . 7 1 1 A 2 2 GLU CA C 2 58.063 56.136 1.927 1
1 22 . 7 1 1 A 2 2 GLU CB C 2 33.147 30.099 3.048 1
1 24 . 7 1 1 A 2 2 GLU N N 2 124.627 123.048 1.579 1
1 25 . 7 1 1 A 3 3 THR H H 3 8.670 8.192 0.478 1
1 26 . 7 1 1 A 3 3 THR HA H 3 4.616 4.902 -0.286 1
1 31 . 7 1 1 A 3 3 THR CA C 3 61.734 60.032 1.702 1
1 32 . 7 1 1 A 3 3 THR CB C 3 70.590 69.580 1.010 1
1 34 . 7 1 1 A 3 3 THR N N 3 116.274 114.983 1.291 1
1 35 . 7 1 1 A 4 4 PRO HA H 4 4.161 4.481 -0.320 1
1 42 . 7 1 1 A 4 4 PRO C C 4 172.227 177.589 -5.362 1
1 43 . 7 1 1 A 4 4 PRO CA C 4 68.211 64.526 3.685 1
1 44 . 7 1 1 A 4 4 PRO CB C 4 33.796 31.629 2.167 1
1 47 . 7 1 1 A 5 5 LEU H H 5 9.207 7.696 1.511 1
1 48 . 7 1 1 A 5 5 LEU HA H 5 4.038 4.035 0.003 1
1 58 . 7 1 1 A 5 5 LEU C C 5 174.327 178.253 -3.926 1
1 59 . 7 1 1 A 5 5 LEU CA C 5 59.483 57.427 2.056 1
1 60 . 7 1 1 A 5 5 LEU CB C 5 43.877 41.715 2.162 1
1 64 . 7 1 1 A 5 5 LEU N N 5 119.157 119.489 -0.332 1
1 65 . 7 1 1 A 6 6 GLU H H 6 7.661 8.256 -0.595 1
1 66 . 7 1 1 A 6 6 GLU HA H 6 3.755 3.950 -0.195 1
1 71 . 7 1 1 A 6 6 GLU C C 6 172.727 179.034 -6.307 1
1 72 . 7 1 1 A 6 6 GLU CA C 6 61.953 59.697 2.256 1
1 73 . 7 1 1 A 6 6 GLU CB C 6 31.354 29.180 2.174 1
1 75 . 7 1 1 A 6 6 GLU N N 6 119.837 119.071 0.766 1
1 76 . 7 1 1 A 7 7 LYS H H 7 8.430 7.886 0.544 1
1 77 . 7 1 1 A 7 7 LYS HA H 7 3.921 4.441 -0.520 1
1 86 . 7 1 1 A 7 7 LYS C C 7 172.927 178.956 -6.029 1
1 87 . 7 1 1 A 7 7 LYS CA C 7 61.312 58.552 2.760 1
1 88 . 7 1 1 A 7 7 LYS CB C 7 33.861 32.291 1.570 1
1 92 . 7 1 1 A 7 7 LYS N N 7 119.023 119.071 -0.048 1
1 93 . 7 1 1 A 8 8 ALA H H 8 8.079 8.190 -0.111 1
1 94 . 7 1 1 A 8 8 ALA HA H 8 4.085 4.009 0.076 1
1 98 . 7 1 1 A 8 8 ALA C C 8 173.027 180.078 -7.051 1
1 99 . 7 1 1 A 8 8 ALA CA C 8 56.967 55.009 1.958 1
1 100 . 7 1 1 A 8 8 ALA CB C 8 20.140 18.279 1.861 1
1 101 . 7 1 1 A 8 8 ALA N N 8 123.824 122.295 1.529 1
1 102 . 7 1 1 A 9 9 LEU H H 9 8.032 7.803 0.229 1
1 103 . 7 1 1 A 9 9 LEU HA H 9 4.061 4.087 -0.026 1
1 113 . 7 1 1 A 9 9 LEU C C 9 172.527 179.295 -6.768 1
1 114 . 7 1 1 A 9 9 LEU CA C 9 60.071 58.136 1.935 1
1 115 . 7 1 1 A 9 9 LEU CB C 9 42.714 41.656 1.058 1
1 119 . 7 1 1 A 9 9 LEU N N 9 118.643 117.828 0.815 1
1 120 . 7 1 1 A 10 10 THR H H 10 8.686 8.356 0.330 1
1 121 . 7 1 1 A 10 10 THR HA H 10 3.798 4.005 -0.207 1
1 126 . 7 1 1 A 10 10 THR C C 10 175.127 176.298 -1.171 1
1 127 . 7 1 1 A 10 10 THR CA C 10 69.282 66.695 2.587 1
1 128 . 7 1 1 A 10 10 THR CB C 10 70.132 68.825 1.307 1
1 130 . 7 1 1 A 10 10 THR N N 10 117.087 115.992 1.095 1
1 131 . 7 1 1 A 11 11 THR H H 11 8.628 7.932 0.696 1
1 132 . 7 1 1 A 11 11 THR HA H 11 3.961 3.951 0.010 1
1 137 . 7 1 1 A 11 11 THR C C 11 174.427 175.938 -1.511 1
1 138 . 7 1 1 A 11 11 THR CA C 11 68.408 66.981 1.427 1
1 139 . 7 1 1 A 11 11 THR CB C 11 69.107 68.273 0.834 1
1 141 . 7 1 1 A 11 11 THR N N 11 120.770 116.371 4.399 1
1 142 . 7 1 1 A 12 12 MET H H 12 8.390 8.364 0.026 1
1 143 . 7 1 1 A 12 12 MET HA H 12 3.956 4.372 -0.416 1
1 151 . 7 1 1 A 12 12 MET C C 12 175.127 178.272 -3.145 1
1 152 . 7 1 1 A 12 12 MET CA C 12 62.750 58.692 4.058 1
1 153 . 7 1 1 A 12 12 MET CB C 12 34.952 32.798 2.154 1
1 156 . 7 1 1 A 12 12 MET N N 12 124.388 119.772 4.616 1
1 157 . 7 1 1 A 13 13 VAL H H 13 8.104 8.562 -0.458 1
1 158 . 7 1 1 A 13 13 VAL HA H 13 3.576 4.119 -0.543 1
1 166 . 7 1 1 A 13 13 VAL C C 13 175.327 178.258 -2.931 1
1 167 . 7 1 1 A 13 13 VAL CA C 13 68.958 66.266 2.692 1
1 168 . 7 1 1 A 13 13 VAL CB C 13 33.703 31.359 2.344 1
1 171 . 7 1 1 A 13 13 VAL N N 13 121.753 115.260 6.493 1
1 172 . 7 1 1 A 14 14 THR H H 14 9.186 8.624 0.562 1
1 173 . 7 1 1 A 14 14 THR HA H 14 3.774 4.010 -0.236 1
1 178 . 7 1 1 A 14 14 THR C C 14 173.927 176.979 -3.052 1
1 179 . 7 1 1 A 14 14 THR CA C 14 67.955 66.091 1.864 1
1 180 . 7 1 1 A 14 14 THR CB C 14 70.504 68.566 1.938 1
1 182 . 7 1 1 A 14 14 THR N N 14 114.911 116.858 -1.947 1
1 183 . 7 1 1 A 15 15 THR H H 15 8.453 8.281 0.172 1
1 184 . 7 1 1 A 15 15 THR HA H 15 3.859 4.217 -0.358 1
1 190 . 7 1 1 A 15 15 THR C C 15 178.127 176.694 1.433 1
1 191 . 7 1 1 A 15 15 THR CA C 15 69.609 66.034 3.575 1
1 192 . 7 1 1 A 15 15 THR CB C 15 70.511 67.966 2.545 1
1 194 . 7 1 1 A 15 15 THR N N 15 118.791 112.823 5.968 1
1 195 . 7 1 1 A 16 16 PHE H H 16 7.207 8.512 -1.305 1
1 196 . 7 1 1 A 16 16 PHE HA H 16 3.572 4.085 -0.513 1
1 203 . 7 1 1 A 16 16 PHE C C 16 178.527 177.751 0.776 1
1 204 . 7 1 1 A 16 16 PHE CA C 16 64.090 61.731 2.359 1
1 205 . 7 1 1 A 16 16 PHE CB C 16 41.091 39.130 1.961 1
1 206 . 7 1 1 A 16 16 PHE N N 16 121.331 124.297 -2.966 1
1 207 . 7 1 1 A 17 17 HIS H H 17 8.393 8.445 -0.052 1
1 208 . 7 1 1 A 17 17 HIS HA H 17 5.329 4.363 0.966 1
1 211 . 7 1 1 A 17 17 HIS C C 17 174.627 177.177 -2.550 1
1 212 . 7 1 1 A 17 17 HIS CA C 17 56.667 59.007 -2.340 1
1 213 . 7 1 1 A 17 17 HIS CB C 17 32.397 30.024 2.373 1
1 214 . 7 1 1 A 17 17 HIS N N 17 117.858 118.766 -0.908 1
1 215 . 7 1 1 A 18 18 LYS H H 18 7.767 7.670 0.097 1
1 216 . 7 1 1 A 18 18 LYS HA H 18 3.553 3.924 -0.371 1
1 225 . 7 1 1 A 18 18 LYS C C 18 175.527 176.824 -1.297 1
1 226 . 7 1 1 A 18 18 LYS CA C 18 61.301 58.242 3.059 1
1 227 . 7 1 1 A 18 18 LYS CB C 18 33.523 32.054 1.469 1
1 231 . 7 1 1 A 18 18 LYS N N 18 120.691 118.894 1.797 1
1 232 . 7 1 1 A 19 19 TYR H H 19 7.079 7.947 -0.868 1
1 233 . 7 1 1 A 19 19 TYR HA H 19 3.993 4.677 -0.684 1
1 240 . 7 1 1 A 19 19 TYR C C 19 174.227 175.316 -1.089 1
1 241 . 7 1 1 A 19 19 TYR CA C 19 61.287 58.860 2.427 1
1 242 . 7 1 1 A 19 19 TYR CB C 19 42.066 40.627 1.439 1
1 243 . 7 1 1 A 19 19 TYR N N 19 114.592 116.653 -2.061 1
1 244 . 7 1 1 A 20 20 SER H H 20 9.708 8.263 1.445 1
1 245 . 7 1 1 A 20 20 SER HA H 20 4.117 4.372 -0.255 1
1 248 . 7 1 1 A 20 20 SER C C 20 175.227 174.874 0.353 1
1 249 . 7 1 1 A 20 20 SER CA C 20 60.135 58.668 1.467 1
1 250 . 7 1 1 A 20 20 SER CB C 20 63.159 62.654 0.505 1
1 251 . 7 1 1 A 20 20 SER N N 20 121.764 109.761 12.003 1
1 252 . 7 1 1 A 21 21 GLY H H 21 8.146 8.473 -0.327 1
1 253 . 7 1 1 A 21 21 GLY HA2 H 21 3.956 3.875 0.081 1
1 254 . 7 1 1 A 21 21 GLY HA3 H 21 3.571 4.048 -0.477 1
1 255 . 7 1 1 A 21 21 GLY C C 21 177.927 175.354 2.573 1
1 256 . 7 1 1 A 21 21 GLY CA C 21 46.646 45.085 1.561 1
1 257 . 7 1 1 A 21 21 GLY N N 21 106.982 114.226 -7.244 1
1 258 . 7 1 1 A 22 22 ARG H H 22 7.007 8.298 -1.291 1
1 259 . 7 1 1 A 22 22 ARG HA H 22 3.815 4.143 -0.328 1
1 266 . 7 1 1 A 22 22 ARG C C 22 175.927 178.389 -2.462 1
1 267 . 7 1 1 A 22 22 ARG CA C 22 60.766 59.130 1.636 1
1 268 . 7 1 1 A 22 22 ARG CB C 22 32.302 29.696 2.606 1
1 271 . 7 1 1 A 22 22 ARG N N 22 118.055 121.223 -3.168 1
1 272 . 7 1 1 A 23 23 GLU H H 23 7.551 7.882 -0.331 1
1 273 . 7 1 1 A 23 23 GLU HA H 23 4.436 4.271 0.165 1
1 278 . 7 1 1 A 23 23 GLU C C 23 177.727 176.391 1.336 1
1 279 . 7 1 1 A 23 23 GLU CA C 23 56.853 57.318 -0.465 1
1 280 . 7 1 1 A 23 23 GLU CB C 23 33.988 30.642 3.346 1
1 282 . 7 1 1 A 23 23 GLU N N 23 114.631 117.781 -3.150 1
1 283 . 7 1 1 A 24 24 GLY H H 24 8.376 7.390 0.986 1
1 284 . 7 1 1 A 24 24 GLY HA2 H 24 3.771 3.985 -0.214 1
1 285 . 7 1 1 A 24 24 GLY HA3 H 24 3.567 4.074 -0.507 1
1 286 . 7 1 1 A 24 24 GLY C C 24 177.127 172.983 4.144 1
1 287 . 7 1 1 A 24 24 GLY CA C 24 47.718 45.408 2.310 1
1 288 . 7 1 1 A 24 24 GLY N N 24 107.626 105.007 2.619 1
1 289 . 7 1 1 A 25 25 SER H H 25 8.443 8.652 -0.209 1
1 290 . 7 1 1 A 25 25 SER HA H 25 4.314 3.991 0.323 1
1 293 . 7 1 1 A 25 25 SER C C 25 175.527 174.419 1.108 1
1 294 . 7 1 1 A 25 25 SER CA C 25 59.146 58.587 0.559 1
1 295 . 7 1 1 A 25 25 SER CB C 25 65.573 61.696 3.877 1
1 296 . 7 1 1 A 25 25 SER N N 25 119.000 113.993 5.007 1
1 297 . 7 1 1 A 26 26 LYS H H 26 8.821 8.088 0.733 1
1 298 . 7 1 1 A 26 26 LYS HA H 26 4.307 3.771 0.536 1
1 307 . 7 1 1 A 26 26 LYS C C 26 176.027 176.707 -0.680 1
1 308 . 7 1 1 A 26 26 LYS CA C 26 59.180 56.751 2.429 1
1 309 . 7 1 1 A 26 26 LYS CB C 26 33.211 31.486 1.725 1
1 313 . 7 1 1 A 26 26 LYS N N 26 126.125 120.715 5.410 1
1 314 . 7 1 1 A 27 27 LEU H H 27 8.237 7.634 0.603 1
1 315 . 7 1 1 A 27 27 LEU HA H 27 4.534 4.327 0.207 1
1 325 . 7 1 1 A 27 27 LEU C C 27 175.627 175.746 -0.119 1
1 326 . 7 1 1 A 27 27 LEU CA C 27 56.384 54.388 1.996 1
1 327 . 7 1 1 A 27 27 LEU CB C 27 44.218 43.557 0.661 1
1 331 . 7 1 1 A 27 27 LEU N N 27 117.484 115.985 1.499 1
1 332 . 7 1 1 A 28 28 THR H H 28 7.386 7.116 0.270 1
1 333 . 7 1 1 A 28 28 THR HA H 28 5.517 5.626 -0.109 1
1 338 . 7 1 1 A 28 28 THR C C 28 180.227 172.606 7.621 1
1 339 . 7 1 1 A 28 28 THR CA C 28 61.014 60.443 0.571 1
1 340 . 7 1 1 A 28 28 THR CB C 28 75.348 72.942 2.406 1
1 342 . 7 1 1 A 28 28 THR N N 28 106.230 110.086 -3.856 1
1 343 . 7 1 1 A 29 29 LEU H H 29 8.721 8.866 -0.145 1
1 344 . 7 1 1 A 29 29 LEU HA H 29 4.713 4.922 -0.209 1
1 354 . 7 1 1 A 29 29 LEU C C 29 176.927 175.538 1.389 1
1 355 . 7 1 1 A 29 29 LEU CA C 29 55.163 53.769 1.394 1
1 356 . 7 1 1 A 29 29 LEU CB C 29 46.059 44.948 1.111 1
1 360 . 7 1 1 A 29 29 LEU N N 29 116.728 118.180 -1.452 1
1 361 . 7 1 1 A 30 30 SER H H 30 8.866 8.623 0.243 1
1 362 . 7 1 1 A 30 30 SER HA H 30 4.942 4.969 -0.027 1
1 365 . 7 1 1 A 30 30 SER C C 30 176.327 176.059 0.268 1
1 366 . 7 1 1 A 30 30 SER CA C 30 59.032 56.740 2.292 1
1 367 . 7 1 1 A 30 30 SER CB C 30 67.150 65.923 1.227 1
1 368 . 7 1 1 A 30 30 SER N N 30 117.110 114.387 2.723 1
1 369 . 7 1 1 A 31 31 ARG H H 31 8.393 8.493 -0.100 1
1 370 . 7 1 1 A 31 31 ARG HA H 31 3.695 3.898 -0.203 1
1 377 . 7 1 1 A 31 31 ARG C C 31 174.127 178.116 -3.989 1
1 378 . 7 1 1 A 31 31 ARG CA C 31 62.776 60.178 2.598 1
1 379 . 7 1 1 A 31 31 ARG CB C 31 31.601 29.787 1.814 1
1 382 . 7 1 1 A 31 31 ARG N N 31 121.109 121.206 -0.097 1
1 383 . 7 1 1 A 32 32 LYS H H 32 8.264 8.150 0.114 1
1 384 . 7 1 1 A 32 32 LYS HA H 32 3.912 4.042 -0.130 1
1 393 . 7 1 1 A 32 32 LYS C C 32 172.827 178.923 -6.096 1
1 394 . 7 1 1 A 32 32 LYS CA C 32 61.591 59.958 1.633 1
1 395 . 7 1 1 A 32 32 LYS CB C 32 34.116 32.076 2.040 1
1 399 . 7 1 1 A 32 32 LYS N N 32 118.536 119.826 -1.290 1
1 400 . 7 1 1 A 33 33 GLU H H 33 7.790 7.597 0.193 1
1 401 . 7 1 1 A 33 33 GLU HA H 33 4.049 4.129 -0.080 1
1 406 . 7 1 1 A 33 33 GLU C C 33 174.327 178.304 -3.977 1
1 407 . 7 1 1 A 33 33 GLU CA C 33 60.634 58.879 1.755 1
1 408 . 7 1 1 A 33 33 GLU CB C 33 31.617 29.503 2.114 1
1 410 . 7 1 1 A 33 33 GLU N N 33 121.557 119.720 1.837 1
1 411 . 7 1 1 A 34 34 LEU H H 34 8.388 8.357 0.031 1
1 412 . 7 1 1 A 34 34 LEU HA H 34 3.844 3.795 0.049 1
1 422 . 7 1 1 A 34 34 LEU C C 34 174.927 178.445 -3.518 1
1 423 . 7 1 1 A 34 34 LEU CA C 34 59.173 57.967 1.206 1
1 424 . 7 1 1 A 34 34 LEU CB C 34 42.053 41.506 0.547 1
1 428 . 7 1 1 A 34 34 LEU N N 34 120.999 121.118 -0.119 1
1 429 . 7 1 1 A 35 35 LYS H H 35 7.817 7.726 0.091 1
1 430 . 7 1 1 A 35 35 LYS HA H 35 3.478 3.727 -0.249 1
1 439 . 7 1 1 A 35 35 LYS C C 35 174.627 178.139 -3.512 1
1 440 . 7 1 1 A 35 35 LYS CA C 35 62.312 59.440 2.872 1
1 441 . 7 1 1 A 35 35 LYS CB C 35 33.814 32.142 1.672 1
1 445 . 7 1 1 A 35 35 LYS N N 35 118.738 118.497 0.241 1
1 446 . 7 1 1 A 36 36 GLU H H 36 7.208 7.737 -0.529 1
1 447 . 7 1 1 A 36 36 GLU HA H 36 3.801 4.139 -0.338 1
1 452 . 7 1 1 A 36 36 GLU C C 36 175.227 178.480 -3.253 1
1 453 . 7 1 1 A 36 36 GLU CA C 36 61.015 58.752 2.263 1
1 454 . 7 1 1 A 36 36 GLU CB C 36 30.770 29.367 1.403 1
1 456 . 7 1 1 A 36 36 GLU N N 36 118.771 118.794 -0.023 1
1 457 . 7 1 1 A 37 37 LEU H H 37 8.038 8.045 -0.007 1
1 458 . 7 1 1 A 37 37 LEU HA H 37 3.178 3.357 -0.179 1
1 468 . 7 1 1 A 37 37 LEU C C 37 172.927 178.071 -5.144 1
1 469 . 7 1 1 A 37 37 LEU CA C 37 60.915 58.031 2.884 1
1 470 . 7 1 1 A 37 37 LEU CB C 37 43.352 41.052 2.300 1
1 474 . 7 1 1 A 37 37 LEU N N 37 121.767 120.709 1.058 1
1 475 . 7 1 1 A 38 38 ILE H H 38 8.224 7.963 0.261 1
1 476 . 7 1 1 A 38 38 ILE HA H 38 3.234 3.610 -0.376 1
1 486 . 7 1 1 A 38 38 ILE C C 38 174.727 179.004 -4.277 1
1 487 . 7 1 1 A 38 38 ILE CA C 38 66.464 65.322 1.142 1
1 488 . 7 1 1 A 38 38 ILE CB C 38 38.799 37.450 1.349 1
1 492 . 7 1 1 A 38 38 ILE N N 38 119.417 120.022 -0.605 1
1 493 . 7 1 1 A 39 39 LYS H H 39 7.700 7.609 0.091 1
1 494 . 7 1 1 A 39 39 LYS HA H 39 3.894 4.287 -0.393 1
1 503 . 7 1 1 A 39 39 LYS C C 39 173.727 177.214 -3.487 1
1 504 . 7 1 1 A 39 39 LYS CA C 39 61.015 58.586 2.429 1
1 505 . 7 1 1 A 39 39 LYS CB C 39 34.100 32.097 2.003 1
1 509 . 7 1 1 A 39 39 LYS N N 39 117.277 119.471 -2.194 1
1 510 . 7 1 1 A 40 40 LYS H H 40 8.170 7.678 0.492 1
1 511 . 7 1 1 A 40 40 LYS HA H 40 4.226 4.446 -0.220 1
1 520 . 7 1 1 A 40 40 LYS C C 40 173.427 178.275 -4.848 1
1 521 . 7 1 1 A 40 40 LYS CA C 40 59.251 57.359 1.892 1
1 522 . 7 1 1 A 40 40 LYS CB C 40 35.528 34.069 1.459 1
1 526 . 7 1 1 A 40 40 LYS N N 40 115.146 117.704 -2.558 1
1 527 . 7 1 1 A 41 41 GLU H H 41 8.778 8.079 0.699 1
1 528 . 7 1 1 A 41 41 GLU HA H 41 4.629 4.427 0.202 1
1 533 . 7 1 1 A 41 41 GLU C C 41 175.527 176.571 -1.044 1
1 534 . 7 1 1 A 41 41 GLU CA C 41 57.177 57.242 -0.065 1
1 535 . 7 1 1 A 41 41 GLU CB C 41 31.656 30.426 1.230 1
1 537 . 7 1 1 A 41 41 GLU N N 41 113.604 116.847 -3.243 1
1 538 . 7 1 1 A 42 42 LEU H H 42 7.610 7.615 -0.005 1
1 539 . 7 1 1 A 42 42 LEU HA H 42 4.475 4.645 -0.170 1
1 549 . 7 1 1 A 42 42 LEU C C 42 177.227 176.482 0.745 1
1 550 . 7 1 1 A 42 42 LEU CA C 42 56.047 53.494 2.553 1
1 551 . 7 1 1 A 42 42 LEU CB C 42 45.748 44.896 0.852 1
1 555 . 7 1 1 A 42 42 LEU N N 42 118.997 121.057 -2.060 1
1 556 . 7 1 1 A 43 43 CYS H H 43 8.501 8.559 -0.058 1
1 557 . 7 1 1 A 43 43 CYS HA H 43 4.397 4.610 -0.213 1
1 560 . 7 1 1 A 43 43 CYS C C 43 177.327 175.881 1.446 1
1 561 . 7 1 1 A 43 43 CYS CA C 43 60.023 60.469 -0.446 1
1 562 . 7 1 1 A 43 43 CYS CB C 43 27.915 28.990 -1.075 1
1 563 . 7 1 1 A 43 43 CYS N N 43 119.622 120.896 -1.274 1
1 564 . 7 1 1 A 44 44 LEU H H 44 8.200 8.394 -0.194 1
1 565 . 7 1 1 A 44 44 LEU HA H 44 3.979 4.247 -0.268 1
1 575 . 7 1 1 A 44 44 LEU C C 44 173.927 177.922 -3.995 1
1 576 . 7 1 1 A 44 44 LEU CA C 44 57.244 56.697 0.547 1
1 577 . 7 1 1 A 44 44 LEU CB C 44 43.622 41.233 2.389 1
1 581 . 7 1 1 A 44 44 LEU N N 44 121.955 119.400 2.555 1
1 582 . 7 1 1 A 45 45 GLY H H 45 8.244 8.503 -0.259 1
1 583 . 7 1 1 A 45 45 GLY HA2 H 45 3.849 3.919 -0.070 1
1 584 . 7 1 1 A 45 45 GLY HA3 H 45 3.789 4.074 -0.285 1
1 585 . 7 1 1 A 45 45 GLY C C 45 178.027 174.920 3.107 1
1 586 . 7 1 1 A 45 45 GLY CA C 45 47.023 46.145 0.878 1
1 587 . 7 1 1 A 45 45 GLY N N 45 107.702 109.652 -1.950 1
1 588 . 7 1 1 A 46 46 GLU H H 46 8.286 8.427 -0.141 1
1 589 . 7 1 1 A 46 46 GLU HA H 46 4.039 4.748 -0.709 1
1 594 . 7 1 1 A 46 46 GLU C C 46 175.127 177.192 -2.065 1
1 595 . 7 1 1 A 46 46 GLU CA C 46 59.176 55.830 3.346 1
1 596 . 7 1 1 A 46 46 GLU CB C 46 31.361 30.835 0.526 1
1 598 . 7 1 1 A 46 46 GLU N N 46 119.602 117.424 2.178 1
1 599 . 7 1 1 A 47 47 MET H H 47 8.048 7.883 0.165 1
1 600 . 7 1 1 A 47 47 MET HA H 47 4.229 4.188 0.041 1
1 608 . 7 1 1 A 47 47 MET C C 47 175.727 175.767 -0.040 1
1 609 . 7 1 1 A 47 47 MET CA C 47 58.183 56.977 1.206 1
1 610 . 7 1 1 A 47 47 MET CB C 47 34.087 31.792 2.295 1
1 613 . 7 1 1 A 47 47 MET N N 47 119.617 119.663 -0.046 1
1 614 . 7 1 1 A 48 48 LYS H H 48 8.221 7.533 0.688 1
1 615 . 7 1 1 A 48 48 LYS HA H 48 4.217 4.285 -0.068 1
1 624 . 7 1 1 A 48 48 LYS C C 48 174.927 176.158 -1.231 1
1 625 . 7 1 1 A 48 48 LYS CA C 48 58.304 54.655 3.649 1
1 626 . 7 1 1 A 48 48 LYS CB C 48 34.548 33.595 0.953 1
1 630 . 7 1 1 A 48 48 LYS N N 48 120.987 119.987 1.000 1
1 631 . 7 1 1 A 49 49 GLU H H 49 8.346 8.750 -0.404 1
1 632 . 7 1 1 A 49 49 GLU HA H 49 3.922 4.111 -0.189 1
1 637 . 7 1 1 A 49 49 GLU C C 49 174.427 176.895 -2.468 1
1 638 . 7 1 1 A 49 49 GLU CA C 49 60.298 57.353 2.945 1
1 639 . 7 1 1 A 49 49 GLU CB C 49 31.065 29.504 1.561 1
1 641 . 7 1 1 A 49 49 GLU N N 49 121.867 122.950 -1.083 1
1 642 . 7 1 1 A 50 50 SER H H 50 8.348 9.275 -0.927 1
1 643 . 7 1 1 A 50 50 SER HA H 50 4.172 4.579 -0.407 1
1 647 . 7 1 1 A 50 50 SER C C 50 176.027 174.071 1.956 1
1 648 . 7 1 1 A 50 50 SER CA C 50 62.548 60.068 2.480 1
1 649 . 7 1 1 A 50 50 SER CB C 50 64.840 62.005 2.835 1
1 650 . 7 1 1 A 50 50 SER N N 50 115.695 120.113 -4.418 1
1 651 . 7 1 1 A 51 51 SER H H 51 7.980 8.647 -0.667 1
1 652 . 7 1 1 A 51 51 SER HA H 51 4.258 4.462 -0.204 1
1 655 . 7 1 1 A 51 51 SER C C 51 174.427 174.720 -0.293 1
1 656 . 7 1 1 A 51 51 SER CA C 51 62.828 60.035 2.793 1
1 657 . 7 1 1 A 51 51 SER CB C 51 64.749 61.383 3.366 1
1 658 . 7 1 1 A 51 51 SER N N 51 117.126 119.133 -2.007 1
1 659 . 7 1 1 A 52 52 ILE H H 52 7.365 8.398 -1.033 1
1 660 . 7 1 1 A 52 52 ILE HA H 52 4.038 3.775 0.263 1
1 670 . 7 1 1 A 52 52 ILE C C 52 175.627 177.449 -1.822 1
1 671 . 7 1 1 A 52 52 ILE CA C 52 64.609 64.305 0.304 1
1 672 . 7 1 1 A 52 52 ILE CB C 52 39.272 37.579 1.693 1
1 676 . 7 1 1 A 52 52 ILE N N 52 117.484 119.262 -1.778 1
1 677 . 7 1 1 A 53 53 ASP H H 53 7.681 8.284 -0.603 1
1 678 . 7 1 1 A 53 53 ASP HA H 53 4.214 4.352 -0.138 1
1 681 . 7 1 1 A 53 53 ASP C C 53 174.027 177.845 -3.818 1
1 682 . 7 1 1 A 53 53 ASP CA C 53 59.799 57.050 2.749 1
1 683 . 7 1 1 A 53 53 ASP CB C 53 42.927 40.551 2.376 1
1 684 . 7 1 1 A 53 53 ASP N N 53 121.969 121.723 0.246 1
1 685 . 7 1 1 A 54 54 ASP H H 54 8.227 8.298 -0.071 1
1 686 . 7 1 1 A 54 54 ASP HA H 54 4.231 4.357 -0.126 1
1 689 . 7 1 1 A 54 54 ASP C C 54 172.927 178.603 -5.676 1
1 690 . 7 1 1 A 54 54 ASP CA C 54 59.507 57.863 1.644 1
1 691 . 7 1 1 A 54 54 ASP CB C 54 41.818 41.326 0.492 1
1 692 . 7 1 1 A 54 54 ASP N N 54 118.083 119.564 -1.481 1
1 693 . 7 1 1 A 55 55 LEU H H 55 7.650 8.122 -0.472 1
1 694 . 7 1 1 A 55 55 LEU HA H 55 4.016 4.347 -0.331 1
1 704 . 7 1 1 A 55 55 LEU C C 55 171.927 179.455 -7.528 1
1 705 . 7 1 1 A 55 55 LEU CA C 55 59.965 57.730 2.235 1
1 706 . 7 1 1 A 55 55 LEU CB C 55 43.370 40.854 2.516 1
1 710 . 7 1 1 A 55 55 LEU N N 55 121.634 120.117 1.517 1
1 711 . 7 1 1 A 56 56 MET H H 56 8.429 8.345 0.084 1
1 712 . 7 1 1 A 56 56 MET HA H 56 4.325 4.137 0.188 1
1 720 . 7 1 1 A 56 56 MET C C 56 172.527 178.232 -5.705 1
1 721 . 7 1 1 A 56 56 MET CA C 56 59.221 59.204 0.017 1
1 722 . 7 1 1 A 56 56 MET CB C 56 34.106 32.799 1.307 1
1 725 . 7 1 1 A 56 56 MET N N 56 118.696 118.326 0.370 1
1 726 . 7 1 1 A 57 57 LYS H H 57 8.249 7.682 0.567 1
1 727 . 7 1 1 A 57 57 LYS HA H 57 3.996 4.086 -0.090 1
1 736 . 7 1 1 A 57 57 LYS C C 57 172.527 178.593 -6.066 1
1 737 . 7 1 1 A 57 57 LYS CA C 57 60.872 58.951 1.921 1
1 738 . 7 1 1 A 57 57 LYS CB C 57 33.853 31.714 2.139 1
1 742 . 7 1 1 A 57 57 LYS N N 57 119.855 120.256 -0.401 1
1 743 . 7 1 1 A 58 58 SER H H 58 7.729 8.707 -0.978 1
1 744 . 7 1 1 A 58 58 SER HA H 58 4.125 4.314 -0.189 1
1 747 . 7 1 1 A 58 58 SER C C 58 176.527 177.635 -1.108 1
1 748 . 7 1 1 A 58 58 SER CA C 58 63.029 61.443 1.586 1
1 749 . 7 1 1 A 58 58 SER CB C 58 64.686 62.666 2.020 1
1 750 . 7 1 1 A 58 58 SER N N 58 115.984 115.368 0.616 1
1 751 . 7 1 1 A 59 59 LEU H H 59 7.288 7.758 -0.470 1
1 752 . 7 1 1 A 59 59 LEU HA H 59 4.058 4.000 0.058 1
1 762 . 7 1 1 A 59 59 LEU C C 59 175.827 178.631 -2.804 1
1 763 . 7 1 1 A 59 59 LEU CA C 59 57.364 57.995 -0.631 1
1 764 . 7 1 1 A 59 59 LEU CB C 59 42.712 41.482 1.230 1
1 768 . 7 1 1 A 59 59 LEU N N 59 120.622 123.276 -2.654 1
1 769 . 7 1 1 A 60 60 ASP H H 60 7.431 7.694 -0.263 1
1 770 . 7 1 1 A 60 60 ASP HA H 60 4.386 4.465 -0.079 1
1 773 . 7 1 1 A 60 60 ASP C C 60 175.927 178.573 -2.646 1
1 774 . 7 1 1 A 60 60 ASP CA C 60 57.012 56.592 0.420 1
1 775 . 7 1 1 A 60 60 ASP CB C 60 42.351 41.627 0.724 1
1 776 . 7 1 1 A 60 60 ASP N N 60 116.755 119.356 -2.601 1
1 777 . 7 1 1 A 61 61 LYS H H 61 7.243 7.544 -0.301 1
1 778 . 7 1 1 A 61 61 LYS HA H 61 4.223 4.120 0.103 1
1 787 . 7 1 1 A 61 61 LYS C C 61 176.527 178.082 -1.555 1
1 788 . 7 1 1 A 61 61 LYS CA C 61 57.287 59.467 -2.180 1
1 789 . 7 1 1 A 61 61 LYS CB C 61 34.683 32.320 2.363 1
1 793 . 7 1 1 A 61 61 LYS N N 61 119.913 118.629 1.284 1
1 794 . 7 1 1 A 62 62 ASN H H 62 8.725 7.759 0.966 1
1 795 . 7 1 1 A 62 62 ASN HA H 62 4.462 4.845 -0.383 1
1 800 . 7 1 1 A 62 62 ASN C C 62 175.627 176.181 -0.554 1
1 801 . 7 1 1 A 62 62 ASN CA C 62 55.452 52.993 2.459 1
1 802 . 7 1 1 A 62 62 ASN CB C 62 39.336 39.760 -0.424 1
1 803 . 7 1 1 A 62 62 ASN N N 62 120.247 114.623 5.624 1
1 805 . 7 1 1 A 63 63 SER H H 63 8.061 8.125 -0.064 1
1 806 . 7 1 1 A 63 63 SER HA H 63 3.957 4.364 -0.407 1
1 809 . 7 1 1 A 63 63 SER C C 63 174.827 173.780 1.047 1
1 810 . 7 1 1 A 63 63 SER CA C 63 62.954 60.496 2.458 1
1 811 . 7 1 1 A 63 63 SER CB C 63 65.586 62.827 2.759 1
1 812 . 7 1 1 A 63 63 SER N N 63 113.249 113.914 -0.665 1
1 813 . 7 1 1 A 64 64 ASP H H 64 8.408 8.557 -0.149 1
1 814 . 7 1 1 A 64 64 ASP HA H 64 4.573 4.776 -0.203 1
1 817 . 7 1 1 A 64 64 ASP C C 64 176.027 176.046 -0.019 1
1 818 . 7 1 1 A 64 64 ASP CA C 64 55.789 53.790 1.999 1
1 819 . 7 1 1 A 64 64 ASP CB C 64 42.365 42.105 0.260 1
1 820 . 7 1 1 A 64 64 ASP N N 64 117.587 121.090 -3.503 1
1 821 . 7 1 1 A 65 65 GLN H H 65 7.779 7.350 0.429 1
1 822 . 7 1 1 A 65 65 GLN HA H 65 4.026 4.396 -0.370 1
1 829 . 7 1 1 A 65 65 GLN C C 65 176.827 175.488 1.339 1
1 830 . 7 1 1 A 65 65 GLN CA C 65 58.241 56.415 1.826 1
1 831 . 7 1 1 A 65 65 GLN CB C 65 31.309 29.347 1.962 1
1 833 . 7 1 1 A 65 65 GLN N N 65 121.059 119.775 1.284 1
1 835 . 7 1 1 A 66 66 GLU H H 66 8.365 8.748 -0.383 1
1 836 . 7 1 1 A 66 66 GLU HA H 66 4.320 4.781 -0.461 1
1 841 . 7 1 1 A 66 66 GLU C C 66 176.227 176.728 -0.501 1
1 842 . 7 1 1 A 66 66 GLU CA C 66 58.238 56.789 1.449 1
1 843 . 7 1 1 A 66 66 GLU CB C 66 32.567 30.780 1.787 1
1 845 . 7 1 1 A 66 66 GLU N N 66 123.061 121.020 2.041 1
1 846 . 7 1 1 A 67 67 ILE H H 67 9.350 9.056 0.294 1
1 847 . 7 1 1 A 67 67 ILE HA H 67 4.543 4.970 -0.427 1
1 857 . 7 1 1 A 67 67 ILE C C 67 178.127 175.137 2.990 1
1 858 . 7 1 1 A 67 67 ILE CA C 67 61.173 59.018 2.155 1
1 859 . 7 1 1 A 67 67 ILE CB C 67 41.460 42.108 -0.648 1
1 863 . 7 1 1 A 67 67 ILE N N 67 121.809 118.146 3.663 1
1 864 . 7 1 1 A 68 68 ASP H H 68 8.140 8.540 -0.400 1
1 865 . 7 1 1 A 68 68 ASP HA H 68 5.408 5.220 0.188 1
1 868 . 7 1 1 A 68 68 ASP C C 68 176.127 176.294 -0.167 1
1 869 . 7 1 1 A 68 68 ASP CA C 68 53.471 52.363 1.108 1
1 870 . 7 1 1 A 68 68 ASP CB C 68 43.898 42.041 1.857 1
1 871 . 7 1 1 A 68 68 ASP N N 68 122.626 122.906 -0.280 1
1 872 . 7 1 1 A 69 69 PHE H H 69 9.486 9.179 0.307 1
1 873 . 7 1 1 A 69 69 PHE HA H 69 3.397 3.658 -0.261 1
1 880 . 7 1 1 A 69 69 PHE C C 69 174.727 177.494 -2.767 1
1 881 . 7 1 1 A 69 69 PHE CA C 69 63.764 61.397 2.367 1
1 882 . 7 1 1 A 69 69 PHE CB C 69 42.009 39.440 2.569 1
1 883 . 7 1 1 A 69 69 PHE N N 69 118.584 120.673 -2.089 1
1 884 . 7 1 1 A 70 70 LYS H H 70 7.510 8.321 -0.811 1
1 885 . 7 1 1 A 70 70 LYS HA H 70 3.633 3.837 -0.204 1
1 894 . 7 1 1 A 70 70 LYS C C 70 173.627 178.891 -5.264 1
1 895 . 7 1 1 A 70 70 LYS CA C 70 61.940 59.985 1.955 1
1 896 . 7 1 1 A 70 70 LYS CB C 70 33.189 32.319 0.870 1
1 900 . 7 1 1 A 70 70 LYS N N 70 117.327 119.073 -1.746 1
1 901 . 7 1 1 A 71 71 GLU H H 71 8.151 7.491 0.660 1
1 902 . 7 1 1 A 71 71 GLU HA H 71 3.930 4.067 -0.137 1
1 907 . 7 1 1 A 71 71 GLU C C 71 173.127 178.804 -5.677 1
1 908 . 7 1 1 A 71 71 GLU CA C 71 61.000 58.919 2.081 1
1 909 . 7 1 1 A 71 71 GLU CB C 71 31.639 30.142 1.497 1
1 911 . 7 1 1 A 71 71 GLU N N 71 120.925 117.216 3.709 1
1 912 . 7 1 1 A 72 72 TYR H H 72 8.454 7.769 0.685 1
1 913 . 7 1 1 A 72 72 TYR HA H 72 4.047 4.174 -0.127 1
1 920 . 7 1 1 A 72 72 TYR C C 72 177.227 177.565 -0.338 1
1 921 . 7 1 1 A 72 72 TYR CA C 72 62.068 60.899 1.169 1
1 922 . 7 1 1 A 72 72 TYR CB C 72 39.522 38.326 1.196 1
1 923 . 7 1 1 A 72 72 TYR N N 72 123.271 122.213 1.058 1
1 924 . 7 1 1 A 73 73 SER H H 73 7.990 8.153 -0.163 1
1 925 . 7 1 1 A 73 73 SER HA H 73 3.245 3.803 -0.558 1
1 928 . 7 1 1 A 73 73 SER C C 73 174.327 176.429 -2.102 1
1 929 . 7 1 1 A 73 73 SER CA C 73 62.841 61.161 1.680 1
1 930 . 7 1 1 A 73 73 SER CB C 73 64.317 62.090 2.227 1
1 931 . 7 1 1 A 73 73 SER N N 73 115.432 114.078 1.354 1
1 932 . 7 1 1 A 74 74 VAL H H 74 8.112 7.996 0.116 1
1 933 . 7 1 1 A 74 74 VAL HA H 74 3.375 3.738 -0.363 1
1 941 . 7 1 1 A 74 74 VAL C C 74 174.427 178.178 -3.751 1
1 942 . 7 1 1 A 74 74 VAL CA C 74 68.677 65.604 3.073 1
1 943 . 7 1 1 A 74 74 VAL CB C 74 33.164 31.582 1.582 1
1 946 . 7 1 1 A 74 74 VAL N N 74 123.807 119.079 4.728 1
1 947 . 7 1 1 A 75 75 PHE H H 75 8.149 8.349 -0.200 1
1 948 . 7 1 1 A 75 75 PHE HA H 75 3.878 4.197 -0.319 1
1 955 . 7 1 1 A 75 75 PHE C C 75 174.627 177.184 -2.557 1
1 956 . 7 1 1 A 75 75 PHE CA C 75 64.444 61.071 3.373 1
1 957 . 7 1 1 A 75 75 PHE CB C 75 40.823 39.343 1.480 1
1 958 . 7 1 1 A 75 75 PHE N N 75 122.351 123.913 -1.562 1
1 959 . 7 1 1 A 76 76 LEU H H 76 8.141 8.340 -0.199 1
1 960 . 7 1 1 A 76 76 LEU HA H 76 3.648 3.789 -0.141 1
1 970 . 7 1 1 A 76 76 LEU C C 76 173.327 179.009 -5.682 1
1 971 . 7 1 1 A 76 76 LEU CA C 76 59.810 58.136 1.674 1
1 972 . 7 1 1 A 76 76 LEU CB C 76 42.994 42.010 0.984 1
1 976 . 7 1 1 A 76 76 LEU N N 76 116.801 119.929 -3.128 1
1 977 . 7 1 1 A 77 77 THR H H 77 8.005 8.048 -0.043 1
1 978 . 7 1 1 A 77 77 THR HA H 77 3.561 3.738 -0.177 1
1 984 . 7 1 1 A 77 77 THR C C 77 176.427 176.021 0.406 1
1 985 . 7 1 1 A 77 77 THR CA C 77 69.876 66.775 3.101 1
1 986 . 7 1 1 A 77 77 THR CB C 77 71.163 67.601 3.562 1
1 988 . 7 1 1 A 77 77 THR N N 77 116.415 114.952 1.463 1
1 989 . 7 1 1 A 78 78 MET H H 78 8.059 8.446 -0.387 1
1 990 . 7 1 1 A 78 78 MET HA H 78 3.771 4.047 -0.276 1
1 995 . 7 1 1 A 78 78 MET C C 78 172.927 178.285 -5.358 1
1 996 . 7 1 1 A 78 78 MET CA C 78 60.751 58.263 2.488 1
1 997 . 7 1 1 A 78 78 MET CB C 78 33.255 31.926 1.329 1
1 999 . 7 1 1 A 78 78 MET N N 78 120.960 119.782 1.178 1
1 1000 . 7 1 1 A 79 79 LEU H H 79 8.007 8.164 -0.157 1
1 1001 . 7 1 1 A 79 79 LEU HA H 79 3.646 3.928 -0.282 1
1 1011 . 7 1 1 A 79 79 LEU C C 79 174.527 178.652 -4.125 1
1 1012 . 7 1 1 A 79 79 LEU CA C 79 59.756 57.847 1.909 1
1 1013 . 7 1 1 A 79 79 LEU CB C 79 42.961 41.355 1.606 1
1 1017 . 7 1 1 A 79 79 LEU N N 79 120.772 120.846 -0.074 1
1 1018 . 7 1 1 A 80 80 CYS H H 80 8.268 8.212 0.056 1
1 1019 . 7 1 1 A 80 80 CYS HA H 80 3.344 3.979 -0.635 1
1 1022 . 7 1 1 A 80 80 CYS C C 80 176.127 176.359 -0.232 1
1 1023 . 7 1 1 A 80 80 CYS CA C 80 64.083 62.168 1.915 1
1 1024 . 7 1 1 A 80 80 CYS CB C 80 28.199 27.292 0.907 1
1 1025 . 7 1 1 A 80 80 CYS N N 80 118.257 118.491 -0.234 1
1 1026 . 7 1 1 A 81 81 MET H H 81 7.600 8.239 -0.639 1
1 1027 . 7 1 1 A 81 81 MET HA H 81 3.242 4.345 -1.103 1
1 1035 . 7 1 1 A 81 81 MET C C 81 176.227 178.370 -2.143 1
1 1036 . 7 1 1 A 81 81 MET CA C 81 60.091 57.422 2.669 1
1 1037 . 7 1 1 A 81 81 MET CB C 81 34.090 32.637 1.453 1
1 1040 . 7 1 1 A 81 81 MET N N 81 114.515 117.236 -2.721 1
1 1041 . 7 1 1 A 82 82 ALA H H 82 7.299 7.907 -0.608 1
1 1042 . 7 1 1 A 82 82 ALA HA H 82 4.121 4.167 -0.046 1
1 1046 . 7 1 1 A 82 82 ALA C C 82 173.827 177.052 -3.225 1
1 1047 . 7 1 1 A 82 82 ALA CA C 82 54.930 54.363 0.567 1
1 1048 . 7 1 1 A 82 82 ALA CB C 82 20.641 18.866 1.775 1
1 1049 . 7 1 1 A 82 82 ALA N N 82 118.977 121.570 -2.593 1
1 1050 . 7 1 1 A 83 83 TYR H H 83 7.623 7.348 0.275 1
1 1051 . 7 1 1 A 83 83 TYR HA H 83 4.771 4.953 -0.182 1
1 1058 . 7 1 1 A 83 83 TYR CA C 83 59.333 56.705 2.628 1
1 1059 . 7 1 1 A 83 83 TYR CB C 83 41.599 40.434 1.165 1
1 1060 . 7 1 1 A 83 83 TYR N N 83 113.311 113.440 -0.129 1
1 1061 . 7 1 1 A 84 84 ASN HA H 84 4.534 5.226 -0.692 1
1 1064 . 7 1 1 A 84 84 ASN CA C 84 56.126 52.053 4.073 1
1 1065 . 7 1 1 A 84 84 ASN CB C 84 41.990 38.558 3.432 1
1 1066 . 7 1 1 A 85 85 ASP H H 85 8.681 8.124 0.557 1
1 1067 . 7 1 1 A 85 85 ASP HA H 85 4.086 4.184 -0.098 1
1 1070 . 7 1 1 A 85 85 ASP CA C 85 58.457 55.982 2.475 1
1 1071 . 7 1 1 A 85 85 ASP CB C 85 42.260 40.800 1.460 1
1 1072 . 7 1 1 A 85 85 ASP N N 85 126.079 120.444 5.635 1
1 1073 . 7 1 1 A 86 86 PHE H H 86 8.672 7.305 1.367 1
1 1074 . 7 1 1 A 86 86 PHE HA H 86 3.744 4.199 -0.455 1
1 1081 . 7 1 1 A 86 86 PHE C C 86 176.827 176.593 0.234 1
1 1082 . 7 1 1 A 86 86 PHE CA C 86 62.903 60.151 2.752 1
1 1083 . 7 1 1 A 86 86 PHE CB C 86 41.596 38.021 3.575 1
1 1084 . 7 1 1 A 86 86 PHE N N 86 121.950 117.707 4.243 1
1 1085 . 7 1 1 A 87 87 PHE H H 87 7.225 7.441 -0.216 1
1 1086 . 7 1 1 A 87 87 PHE HA H 87 3.836 4.922 -1.086 1
1 1093 . 7 1 1 A 87 87 PHE C C 87 176.927 175.051 1.876 1
1 1094 . 7 1 1 A 87 87 PHE CA C 87 60.422 57.453 2.969 1
1 1095 . 7 1 1 A 87 87 PHE CB C 87 41.081 40.062 1.019 1
1 1096 . 7 1 1 A 87 87 PHE N N 87 110.928 116.308 -5.380 1
1 1097 . 7 1 1 A 88 88 LEU H H 88 7.130 7.818 -0.688 1
1 1098 . 7 1 1 A 88 88 LEU HA H 88 4.169 4.847 -0.678 1
1 1108 . 7 1 1 A 88 88 LEU C C 88 175.027 176.251 -1.224 1
1 1109 . 7 1 1 A 88 88 LEU CA C 88 56.962 53.487 3.475 1
1 1110 . 7 1 1 A 88 88 LEU CB C 88 44.199 43.488 0.711 1
1 1114 . 7 1 1 A 88 88 LEU N N 88 119.732 120.314 -0.582 1
1 1115 . 7 1 1 A 89 89 GLU H H 89 8.097 8.606 -0.509 1
1 1116 . 7 1 1 A 89 89 GLU HA H 89 4.087 4.613 -0.526 1
1 1121 . 7 1 1 A 89 89 GLU C C 89 176.427 177.055 -0.628 1
1 1122 . 7 1 1 A 89 89 GLU CA C 89 58.216 57.114 1.102 1
1 1123 . 7 1 1 A 89 89 GLU CB C 89 32.309 32.503 -0.194 1
1 1125 . 7 1 1 A 89 89 GLU N N 89 121.626 119.566 2.060 1
1 1126 . 7 1 1 A 90 90 ASP H H 90 8.243 8.178 0.065 1
1 1127 . 7 1 1 A 90 90 ASP HA H 90 4.425 4.883 -0.458 1
1 1130 . 7 1 1 A 90 90 ASP C C 90 176.527 177.194 -0.667 1
1 1131 . 7 1 1 A 90 90 ASP CA C 90 55.815 53.175 2.640 1
1 1132 . 7 1 1 A 90 90 ASP CB C 90 42.874 41.999 0.875 1
1 1133 . 7 1 1 A 90 90 ASP N N 90 121.280 116.293 4.987 1
1 1134 . 7 1 1 A 91 91 ASN H H 91 8.267 7.682 0.585 1
1 1135 . 7 1 1 A 91 91 ASN HA H 91 4.563 4.545 0.018 1
1 1140 . 7 1 1 A 91 91 ASN C C 91 178.127 175.822 2.305 1
1 1141 . 7 1 1 A 91 91 ASN CA C 91 54.928 55.368 -0.440 1
1 1142 . 7 1 1 A 91 91 ASN CB C 91 40.529 38.420 2.109 1
1 1143 . 7 1 1 A 91 91 ASN N N 91 119.209 118.540 0.669 1
1 14 . 8 1 1 A 2 2 GLU H H 2 8.722 8.415 0.307 1
1 15 . 8 1 1 A 2 2 GLU HA H 2 4.557 5.269 -0.712 1
1 20 . 8 1 1 A 2 2 GLU C C 2 175.827 175.170 0.657 1
1 21 . 8 1 1 A 2 2 GLU CA C 2 58.063 55.061 3.002 1
1 22 . 8 1 1 A 2 2 GLU CB C 2 33.147 32.078 1.069 1
1 24 . 8 1 1 A 2 2 GLU N N 2 124.627 120.915 3.712 1
1 25 . 8 1 1 A 3 3 THR H H 3 8.670 8.531 0.139 1
1 26 . 8 1 1 A 3 3 THR HA H 3 4.616 4.786 -0.170 1
1 31 . 8 1 1 A 3 3 THR CA C 3 61.734 58.865 2.869 1
1 32 . 8 1 1 A 3 3 THR CB C 3 70.590 71.273 -0.683 1
1 34 . 8 1 1 A 3 3 THR N N 3 116.274 115.685 0.589 1
1 35 . 8 1 1 A 4 4 PRO HA H 4 4.161 4.410 -0.249 1
1 42 . 8 1 1 A 4 4 PRO C C 4 172.227 177.722 -5.495 1
1 43 . 8 1 1 A 4 4 PRO CA C 4 68.211 65.294 2.917 1
1 44 . 8 1 1 A 4 4 PRO CB C 4 33.796 32.019 1.777 1
1 47 . 8 1 1 A 5 5 LEU H H 5 9.207 7.716 1.491 1
1 48 . 8 1 1 A 5 5 LEU HA H 5 4.038 4.040 -0.002 1
1 58 . 8 1 1 A 5 5 LEU C C 5 174.327 178.515 -4.188 1
1 59 . 8 1 1 A 5 5 LEU CA C 5 59.483 57.370 2.113 1
1 60 . 8 1 1 A 5 5 LEU CB C 5 43.877 41.834 2.043 1
1 64 . 8 1 1 A 5 5 LEU N N 5 119.157 117.605 1.552 1
1 65 . 8 1 1 A 6 6 GLU H H 6 7.661 8.332 -0.671 1
1 66 . 8 1 1 A 6 6 GLU HA H 6 3.755 3.947 -0.192 1
1 71 . 8 1 1 A 6 6 GLU C C 6 172.727 179.279 -6.552 1
1 72 . 8 1 1 A 6 6 GLU CA C 6 61.953 59.686 2.267 1
1 73 . 8 1 1 A 6 6 GLU CB C 6 31.354 29.205 2.149 1
1 75 . 8 1 1 A 6 6 GLU N N 6 119.837 118.850 0.987 1
1 76 . 8 1 1 A 7 7 LYS H H 7 8.430 7.957 0.473 1
1 77 . 8 1 1 A 7 7 LYS HA H 7 3.921 4.130 -0.209 1
1 86 . 8 1 1 A 7 7 LYS C C 7 172.927 179.110 -6.183 1
1 87 . 8 1 1 A 7 7 LYS CA C 7 61.312 58.950 2.362 1
1 88 . 8 1 1 A 7 7 LYS CB C 7 33.861 31.719 2.142 1
1 92 . 8 1 1 A 7 7 LYS N N 7 119.023 119.750 -0.727 1
1 93 . 8 1 1 A 8 8 ALA H H 8 8.079 7.810 0.269 1
1 94 . 8 1 1 A 8 8 ALA HA H 8 4.085 4.108 -0.023 1
1 98 . 8 1 1 A 8 8 ALA C C 8 173.027 179.723 -6.696 1
1 99 . 8 1 1 A 8 8 ALA CA C 8 56.967 54.980 1.987 1
1 100 . 8 1 1 A 8 8 ALA CB C 8 20.140 18.840 1.300 1
1 101 . 8 1 1 A 8 8 ALA N N 8 123.824 122.836 0.988 1
1 102 . 8 1 1 A 9 9 LEU H H 9 8.032 8.394 -0.362 1
1 103 . 8 1 1 A 9 9 LEU HA H 9 4.061 4.047 0.014 1
1 113 . 8 1 1 A 9 9 LEU C C 9 172.527 179.276 -6.749 1
1 114 . 8 1 1 A 9 9 LEU CA C 9 60.071 58.127 1.944 1
1 115 . 8 1 1 A 9 9 LEU CB C 9 42.714 41.569 1.145 1
1 119 . 8 1 1 A 9 9 LEU N N 9 118.643 118.769 -0.126 1
1 120 . 8 1 1 A 10 10 THR H H 10 8.686 8.112 0.574 1
1 121 . 8 1 1 A 10 10 THR HA H 10 3.798 3.904 -0.106 1
1 126 . 8 1 1 A 10 10 THR C C 10 175.127 176.522 -1.395 1
1 127 . 8 1 1 A 10 10 THR CA C 10 69.282 66.718 2.564 1
1 128 . 8 1 1 A 10 10 THR CB C 10 70.132 68.718 1.414 1
1 130 . 8 1 1 A 10 10 THR N N 10 117.087 115.857 1.230 1
1 131 . 8 1 1 A 11 11 THR H H 11 8.628 8.071 0.557 1
1 132 . 8 1 1 A 11 11 THR HA H 11 3.961 3.937 0.024 1
1 137 . 8 1 1 A 11 11 THR C C 11 174.427 177.062 -2.635 1
1 138 . 8 1 1 A 11 11 THR CA C 11 68.408 66.910 1.498 1
1 139 . 8 1 1 A 11 11 THR CB C 11 69.107 68.125 0.982 1
1 141 . 8 1 1 A 11 11 THR N N 11 120.770 116.485 4.285 1
1 142 . 8 1 1 A 12 12 MET H H 12 8.390 8.478 -0.088 1
1 143 . 8 1 1 A 12 12 MET HA H 12 3.956 4.434 -0.478 1
1 151 . 8 1 1 A 12 12 MET C C 12 175.127 178.592 -3.465 1
1 152 . 8 1 1 A 12 12 MET CA C 12 62.750 57.817 4.933 1
1 153 . 8 1 1 A 12 12 MET CB C 12 34.952 32.636 2.316 1
1 156 . 8 1 1 A 12 12 MET N N 12 124.388 118.661 5.727 1
1 157 . 8 1 1 A 13 13 VAL H H 13 8.104 8.349 -0.245 1
1 158 . 8 1 1 A 13 13 VAL HA H 13 3.576 3.785 -0.209 1
1 166 . 8 1 1 A 13 13 VAL C C 13 175.327 178.095 -2.768 1
1 167 . 8 1 1 A 13 13 VAL CA C 13 68.958 65.574 3.384 1
1 168 . 8 1 1 A 13 13 VAL CB C 13 33.703 31.456 2.247 1
1 171 . 8 1 1 A 13 13 VAL N N 13 121.753 116.911 4.842 1
1 172 . 8 1 1 A 14 14 THR H H 14 9.186 8.579 0.607 1
1 173 . 8 1 1 A 14 14 THR HA H 14 3.774 4.011 -0.237 1
1 178 . 8 1 1 A 14 14 THR C C 14 173.927 177.136 -3.209 1
1 179 . 8 1 1 A 14 14 THR CA C 14 67.955 66.037 1.918 1
1 180 . 8 1 1 A 14 14 THR CB C 14 70.504 68.807 1.697 1
1 182 . 8 1 1 A 14 14 THR N N 14 114.911 116.368 -1.457 1
1 183 . 8 1 1 A 15 15 THR H H 15 8.453 8.424 0.029 1
1 184 . 8 1 1 A 15 15 THR HA H 15 3.859 4.246 -0.387 1
1 190 . 8 1 1 A 15 15 THR C C 15 178.127 176.829 1.298 1
1 191 . 8 1 1 A 15 15 THR CA C 15 69.609 65.894 3.715 1
1 192 . 8 1 1 A 15 15 THR CB C 15 70.511 68.408 2.103 1
1 194 . 8 1 1 A 15 15 THR N N 15 118.791 112.409 6.382 1
1 195 . 8 1 1 A 16 16 PHE H H 16 7.207 8.246 -1.039 1
1 196 . 8 1 1 A 16 16 PHE HA H 16 3.572 4.065 -0.493 1
1 203 . 8 1 1 A 16 16 PHE C C 16 178.527 178.037 0.490 1
1 204 . 8 1 1 A 16 16 PHE CA C 16 64.090 61.712 2.378 1
1 205 . 8 1 1 A 16 16 PHE CB C 16 41.091 39.069 2.022 1
1 206 . 8 1 1 A 16 16 PHE N N 16 121.331 124.360 -3.029 1
1 207 . 8 1 1 A 17 17 HIS H H 17 8.393 8.397 -0.004 1
1 208 . 8 1 1 A 17 17 HIS HA H 17 5.329 4.295 1.034 1
1 211 . 8 1 1 A 17 17 HIS C C 17 174.627 176.879 -2.252 1
1 212 . 8 1 1 A 17 17 HIS CA C 17 56.667 58.274 -1.607 1
1 213 . 8 1 1 A 17 17 HIS CB C 17 32.397 30.639 1.758 1
1 214 . 8 1 1 A 17 17 HIS N N 17 117.858 118.622 -0.764 1
1 215 . 8 1 1 A 18 18 LYS H H 18 7.767 8.179 -0.412 1
1 216 . 8 1 1 A 18 18 LYS HA H 18 3.553 3.906 -0.353 1
1 225 . 8 1 1 A 18 18 LYS C C 18 175.527 176.341 -0.814 1
1 226 . 8 1 1 A 18 18 LYS CA C 18 61.301 58.267 3.034 1
1 227 . 8 1 1 A 18 18 LYS CB C 18 33.523 32.169 1.354 1
1 231 . 8 1 1 A 18 18 LYS N N 18 120.691 118.877 1.814 1
1 232 . 8 1 1 A 19 19 TYR H H 19 7.079 7.702 -0.623 1
1 233 . 8 1 1 A 19 19 TYR HA H 19 3.993 4.606 -0.613 1
1 240 . 8 1 1 A 19 19 TYR C C 19 174.227 175.936 -1.709 1
1 241 . 8 1 1 A 19 19 TYR CA C 19 61.287 59.231 2.056 1
1 242 . 8 1 1 A 19 19 TYR CB C 19 42.066 40.034 2.032 1
1 243 . 8 1 1 A 19 19 TYR N N 19 114.592 116.400 -1.808 1
1 244 . 8 1 1 A 20 20 SER H H 20 9.708 7.956 1.752 1
1 245 . 8 1 1 A 20 20 SER HA H 20 4.117 4.069 0.048 1
1 248 . 8 1 1 A 20 20 SER C C 20 175.227 173.603 1.624 1
1 249 . 8 1 1 A 20 20 SER CA C 20 60.135 59.598 0.537 1
1 250 . 8 1 1 A 20 20 SER CB C 20 63.159 62.377 0.782 1
1 251 . 8 1 1 A 20 20 SER N N 20 121.764 113.940 7.824 1
1 252 . 8 1 1 A 21 21 GLY H H 21 8.146 8.400 -0.254 1
1 253 . 8 1 1 A 21 21 GLY HA2 H 21 3.956 4.125 -0.169 1
1 254 . 8 1 1 A 21 21 GLY HA3 H 21 3.571 4.308 -0.737 1
1 255 . 8 1 1 A 21 21 GLY C C 21 177.927 173.099 4.828 1
1 256 . 8 1 1 A 21 21 GLY CA C 21 46.646 45.433 1.213 1
1 257 . 8 1 1 A 21 21 GLY N N 21 106.982 114.085 -7.103 1
1 258 . 8 1 1 A 22 22 ARG H H 22 7.007 8.879 -1.872 1
1 259 . 8 1 1 A 22 22 ARG HA H 22 3.815 3.888 -0.073 1
1 266 . 8 1 1 A 22 22 ARG C C 22 175.927 175.319 0.608 1
1 267 . 8 1 1 A 22 22 ARG CA C 22 60.766 58.651 2.115 1
1 268 . 8 1 1 A 22 22 ARG CB C 22 32.302 28.035 4.267 1
1 271 . 8 1 1 A 22 22 ARG N N 22 118.055 118.411 -0.356 1
1 272 . 8 1 1 A 23 23 GLU H H 23 7.551 8.143 -0.592 1
1 273 . 8 1 1 A 23 23 GLU HA H 23 4.436 4.399 0.037 1
1 278 . 8 1 1 A 23 23 GLU C C 23 177.727 177.916 -0.189 1
1 279 . 8 1 1 A 23 23 GLU CA C 23 56.853 56.285 0.568 1
1 280 . 8 1 1 A 23 23 GLU CB C 23 33.988 30.955 3.033 1
1 282 . 8 1 1 A 23 23 GLU N N 23 114.631 118.083 -3.452 1
1 283 . 8 1 1 A 24 24 GLY H H 24 8.376 8.581 -0.205 1
1 284 . 8 1 1 A 24 24 GLY HA2 H 24 3.771 3.830 -0.059 1
1 285 . 8 1 1 A 24 24 GLY HA3 H 24 3.567 3.969 -0.402 1
1 286 . 8 1 1 A 24 24 GLY C C 24 177.127 173.886 3.241 1
1 287 . 8 1 1 A 24 24 GLY CA C 24 47.718 46.314 1.404 1
1 288 . 8 1 1 A 24 24 GLY N N 24 107.626 110.858 -3.232 1
1 289 . 8 1 1 A 25 25 SER H H 25 8.443 7.584 0.859 1
1 290 . 8 1 1 A 25 25 SER HA H 25 4.314 4.677 -0.363 1
1 293 . 8 1 1 A 25 25 SER C C 25 175.527 173.684 1.843 1
1 294 . 8 1 1 A 25 25 SER CA C 25 59.146 57.273 1.873 1
1 295 . 8 1 1 A 25 25 SER CB C 25 65.573 65.336 0.237 1
1 296 . 8 1 1 A 25 25 SER N N 25 119.000 111.252 7.748 1
1 297 . 8 1 1 A 26 26 LYS H H 26 8.821 8.469 0.352 1
1 298 . 8 1 1 A 26 26 LYS HA H 26 4.307 4.055 0.252 1
1 307 . 8 1 1 A 26 26 LYS C C 26 176.027 177.025 -0.998 1
1 308 . 8 1 1 A 26 26 LYS CA C 26 59.180 57.321 1.859 1
1 309 . 8 1 1 A 26 26 LYS CB C 26 33.211 32.060 1.151 1
1 313 . 8 1 1 A 26 26 LYS N N 26 126.125 118.583 7.542 1
1 314 . 8 1 1 A 27 27 LEU H H 27 8.237 7.566 0.671 1
1 315 . 8 1 1 A 27 27 LEU HA H 27 4.534 4.760 -0.226 1
1 325 . 8 1 1 A 27 27 LEU C C 27 175.627 176.491 -0.864 1
1 326 . 8 1 1 A 27 27 LEU CA C 27 56.384 54.413 1.971 1
1 327 . 8 1 1 A 27 27 LEU CB C 27 44.218 44.048 0.170 1
1 331 . 8 1 1 A 27 27 LEU N N 27 117.484 117.636 -0.152 1
1 332 . 8 1 1 A 28 28 THR H H 28 7.386 7.435 -0.049 1
1 333 . 8 1 1 A 28 28 THR HA H 28 5.517 5.606 -0.089 1
1 338 . 8 1 1 A 28 28 THR C C 28 180.227 172.652 7.575 1
1 339 . 8 1 1 A 28 28 THR CA C 28 61.014 60.123 0.891 1
1 340 . 8 1 1 A 28 28 THR CB C 28 75.348 72.447 2.901 1
1 342 . 8 1 1 A 28 28 THR N N 28 106.230 110.647 -4.417 1
1 343 . 8 1 1 A 29 29 LEU H H 29 8.721 8.694 0.027 1
1 344 . 8 1 1 A 29 29 LEU HA H 29 4.713 4.768 -0.055 1
1 354 . 8 1 1 A 29 29 LEU C C 29 176.927 175.379 1.548 1
1 355 . 8 1 1 A 29 29 LEU CA C 29 55.163 53.690 1.473 1
1 356 . 8 1 1 A 29 29 LEU CB C 29 46.059 44.461 1.598 1
1 360 . 8 1 1 A 29 29 LEU N N 29 116.728 118.505 -1.777 1
1 361 . 8 1 1 A 30 30 SER H H 30 8.866 8.429 0.437 1
1 362 . 8 1 1 A 30 30 SER HA H 30 4.942 4.733 0.209 1
1 365 . 8 1 1 A 30 30 SER C C 30 176.327 175.418 0.909 1
1 366 . 8 1 1 A 30 30 SER CA C 30 59.032 57.567 1.465 1
1 367 . 8 1 1 A 30 30 SER CB C 30 67.150 64.552 2.598 1
1 368 . 8 1 1 A 30 30 SER N N 30 117.110 115.832 1.278 1
1 369 . 8 1 1 A 31 31 ARG H H 31 8.393 8.934 -0.541 1
1 370 . 8 1 1 A 31 31 ARG HA H 31 3.695 3.881 -0.186 1
1 377 . 8 1 1 A 31 31 ARG C C 31 174.127 177.412 -3.285 1
1 378 . 8 1 1 A 31 31 ARG CA C 31 62.776 59.511 3.265 1
1 379 . 8 1 1 A 31 31 ARG CB C 31 31.601 29.913 1.688 1
1 382 . 8 1 1 A 31 31 ARG N N 31 121.109 122.676 -1.567 1
1 383 . 8 1 1 A 32 32 LYS H H 32 8.264 7.965 0.299 1
1 384 . 8 1 1 A 32 32 LYS HA H 32 3.912 4.017 -0.105 1
1 393 . 8 1 1 A 32 32 LYS C C 32 172.827 178.861 -6.034 1
1 394 . 8 1 1 A 32 32 LYS CA C 32 61.591 59.698 1.893 1
1 395 . 8 1 1 A 32 32 LYS CB C 32 34.116 32.172 1.944 1
1 399 . 8 1 1 A 32 32 LYS N N 32 118.536 119.276 -0.740 1
1 400 . 8 1 1 A 33 33 GLU H H 33 7.790 7.860 -0.070 1
1 401 . 8 1 1 A 33 33 GLU HA H 33 4.049 4.085 -0.036 1
1 406 . 8 1 1 A 33 33 GLU C C 33 174.327 178.548 -4.221 1
1 407 . 8 1 1 A 33 33 GLU CA C 33 60.634 58.524 2.110 1
1 408 . 8 1 1 A 33 33 GLU CB C 33 31.617 29.330 2.287 1
1 410 . 8 1 1 A 33 33 GLU N N 33 121.557 119.334 2.223 1
1 411 . 8 1 1 A 34 34 LEU H H 34 8.388 8.376 0.012 1
1 412 . 8 1 1 A 34 34 LEU HA H 34 3.844 3.812 0.032 1
1 422 . 8 1 1 A 34 34 LEU C C 34 174.927 178.243 -3.316 1
1 423 . 8 1 1 A 34 34 LEU CA C 34 59.173 57.749 1.424 1
1 424 . 8 1 1 A 34 34 LEU CB C 34 42.053 41.490 0.563 1
1 428 . 8 1 1 A 34 34 LEU N N 34 120.999 121.418 -0.419 1
1 429 . 8 1 1 A 35 35 LYS H H 35 7.817 7.738 0.079 1
1 430 . 8 1 1 A 35 35 LYS HA H 35 3.478 3.753 -0.275 1
1 439 . 8 1 1 A 35 35 LYS C C 35 174.627 178.771 -4.144 1
1 440 . 8 1 1 A 35 35 LYS CA C 35 62.312 59.805 2.507 1
1 441 . 8 1 1 A 35 35 LYS CB C 35 33.814 32.143 1.671 1
1 445 . 8 1 1 A 35 35 LYS N N 35 118.738 118.795 -0.057 1
1 446 . 8 1 1 A 36 36 GLU H H 36 7.208 7.676 -0.468 1
1 447 . 8 1 1 A 36 36 GLU HA H 36 3.801 3.984 -0.183 1
1 452 . 8 1 1 A 36 36 GLU C C 36 175.227 178.497 -3.270 1
1 453 . 8 1 1 A 36 36 GLU CA C 36 61.015 59.085 1.930 1
1 454 . 8 1 1 A 36 36 GLU CB C 36 30.770 29.364 1.406 1
1 456 . 8 1 1 A 36 36 GLU N N 36 118.771 119.165 -0.394 1
1 457 . 8 1 1 A 37 37 LEU H H 37 8.038 7.823 0.215 1
1 458 . 8 1 1 A 37 37 LEU HA H 37 3.178 3.531 -0.353 1
1 468 . 8 1 1 A 37 37 LEU C C 37 172.927 178.334 -5.407 1
1 469 . 8 1 1 A 37 37 LEU CA C 37 60.915 57.580 3.335 1
1 470 . 8 1 1 A 37 37 LEU CB C 37 43.352 40.824 2.528 1
1 474 . 8 1 1 A 37 37 LEU N N 37 121.767 120.311 1.456 1
1 475 . 8 1 1 A 38 38 ILE H H 38 8.224 7.763 0.461 1
1 476 . 8 1 1 A 38 38 ILE HA H 38 3.234 3.799 -0.565 1
1 486 . 8 1 1 A 38 38 ILE C C 38 174.727 177.224 -2.497 1
1 487 . 8 1 1 A 38 38 ILE CA C 38 66.464 63.971 2.493 1
1 488 . 8 1 1 A 38 38 ILE CB C 38 38.799 37.585 1.214 1
1 492 . 8 1 1 A 38 38 ILE N N 38 119.417 119.436 -0.019 1
1 493 . 8 1 1 A 39 39 LYS H H 39 7.700 7.984 -0.284 1
1 494 . 8 1 1 A 39 39 LYS HA H 39 3.894 4.296 -0.402 1
1 503 . 8 1 1 A 39 39 LYS C C 39 173.727 176.993 -3.266 1
1 504 . 8 1 1 A 39 39 LYS CA C 39 61.015 57.499 3.516 1
1 505 . 8 1 1 A 39 39 LYS CB C 39 34.100 32.035 2.065 1
1 509 . 8 1 1 A 39 39 LYS N N 39 117.277 120.602 -3.325 1
1 510 . 8 1 1 A 40 40 LYS H H 40 8.170 7.933 0.237 1
1 511 . 8 1 1 A 40 40 LYS HA H 40 4.226 4.425 -0.199 1
1 520 . 8 1 1 A 40 40 LYS C C 40 173.427 178.242 -4.815 1
1 521 . 8 1 1 A 40 40 LYS CA C 40 59.251 57.382 1.869 1
1 522 . 8 1 1 A 40 40 LYS CB C 40 35.528 34.434 1.094 1
1 526 . 8 1 1 A 40 40 LYS N N 40 115.146 117.818 -2.672 1
1 527 . 8 1 1 A 41 41 GLU H H 41 8.778 8.203 0.575 1
1 528 . 8 1 1 A 41 41 GLU HA H 41 4.629 4.425 0.204 1
1 533 . 8 1 1 A 41 41 GLU C C 41 175.527 176.581 -1.054 1
1 534 . 8 1 1 A 41 41 GLU CA C 41 57.177 57.609 -0.432 1
1 535 . 8 1 1 A 41 41 GLU CB C 41 31.656 30.432 1.224 1
1 537 . 8 1 1 A 41 41 GLU N N 41 113.604 116.745 -3.141 1
1 538 . 8 1 1 A 42 42 LEU H H 42 7.610 7.638 -0.028 1
1 539 . 8 1 1 A 42 42 LEU HA H 42 4.475 4.692 -0.217 1
1 549 . 8 1 1 A 42 42 LEU C C 42 177.227 175.596 1.631 1
1 550 . 8 1 1 A 42 42 LEU CA C 42 56.047 53.439 2.608 1
1 551 . 8 1 1 A 42 42 LEU CB C 42 45.748 44.963 0.785 1
1 555 . 8 1 1 A 42 42 LEU N N 42 118.997 120.518 -1.521 1
1 556 . 8 1 1 A 43 43 CYS H H 43 8.501 9.015 -0.514 1
1 557 . 8 1 1 A 43 43 CYS HA H 43 4.397 5.056 -0.659 1
1 560 . 8 1 1 A 43 43 CYS C C 43 177.327 173.912 3.415 1
1 561 . 8 1 1 A 43 43 CYS CA C 43 60.023 57.195 2.828 1
1 562 . 8 1 1 A 43 43 CYS CB C 43 27.915 29.763 -1.848 1
1 563 . 8 1 1 A 43 43 CYS N N 43 119.622 122.657 -3.035 1
1 564 . 8 1 1 A 44 44 LEU H H 44 8.200 8.740 -0.540 1
1 565 . 8 1 1 A 44 44 LEU HA H 44 3.979 4.941 -0.962 1
1 575 . 8 1 1 A 44 44 LEU C C 44 173.927 176.142 -2.215 1
1 576 . 8 1 1 A 44 44 LEU CA C 44 57.244 53.857 3.387 1
1 577 . 8 1 1 A 44 44 LEU CB C 44 43.622 44.475 -0.853 1
1 581 . 8 1 1 A 44 44 LEU N N 44 121.955 128.230 -6.275 1
1 582 . 8 1 1 A 45 45 GLY H H 45 8.244 8.426 -0.182 1
1 583 . 8 1 1 A 45 45 GLY HA2 H 45 3.849 4.046 -0.197 1
1 584 . 8 1 1 A 45 45 GLY HA3 H 45 3.789 4.201 -0.412 1
1 585 . 8 1 1 A 45 45 GLY C C 45 178.027 174.449 3.578 1
1 586 . 8 1 1 A 45 45 GLY CA C 45 47.023 45.345 1.678 1
1 587 . 8 1 1 A 45 45 GLY N N 45 107.702 113.893 -6.191 1
1 588 . 8 1 1 A 46 46 GLU H H 46 8.286 7.691 0.595 1
1 589 . 8 1 1 A 46 46 GLU HA H 46 4.039 4.469 -0.430 1
1 594 . 8 1 1 A 46 46 GLU C C 46 175.127 177.093 -1.966 1
1 595 . 8 1 1 A 46 46 GLU CA C 46 59.176 56.979 2.197 1
1 596 . 8 1 1 A 46 46 GLU CB C 46 31.361 31.748 -0.387 1
1 598 . 8 1 1 A 46 46 GLU N N 46 119.602 116.618 2.984 1
1 599 . 8 1 1 A 47 47 MET H H 47 8.048 8.497 -0.449 1
1 600 . 8 1 1 A 47 47 MET HA H 47 4.229 4.506 -0.277 1
1 608 . 8 1 1 A 47 47 MET C C 47 175.727 175.972 -0.245 1
1 609 . 8 1 1 A 47 47 MET CA C 47 58.183 56.602 1.581 1
1 610 . 8 1 1 A 47 47 MET CB C 47 34.087 33.675 0.412 1
1 613 . 8 1 1 A 47 47 MET N N 47 119.617 117.692 1.925 1
1 614 . 8 1 1 A 48 48 LYS H H 48 8.221 7.508 0.713 1
1 615 . 8 1 1 A 48 48 LYS HA H 48 4.217 4.613 -0.396 1
1 624 . 8 1 1 A 48 48 LYS C C 48 174.927 175.683 -0.756 1
1 625 . 8 1 1 A 48 48 LYS CA C 48 58.304 55.154 3.150 1
1 626 . 8 1 1 A 48 48 LYS CB C 48 34.548 36.020 -1.472 1
1 630 . 8 1 1 A 48 48 LYS N N 48 120.987 117.303 3.684 1
1 631 . 8 1 1 A 49 49 GLU H H 49 8.346 8.749 -0.403 1
1 632 . 8 1 1 A 49 49 GLU HA H 49 3.922 4.408 -0.486 1
1 637 . 8 1 1 A 49 49 GLU C C 49 174.427 175.578 -1.151 1
1 638 . 8 1 1 A 49 49 GLU CA C 49 60.298 57.034 3.264 1
1 639 . 8 1 1 A 49 49 GLU CB C 49 31.065 30.698 0.367 1
1 641 . 8 1 1 A 49 49 GLU N N 49 121.867 123.091 -1.224 1
1 642 . 8 1 1 A 50 50 SER H H 50 8.348 8.205 0.143 1
1 643 . 8 1 1 A 50 50 SER HA H 50 4.172 4.301 -0.129 1
1 647 . 8 1 1 A 50 50 SER C C 50 176.027 175.267 0.760 1
1 648 . 8 1 1 A 50 50 SER CA C 50 62.548 58.233 4.315 1
1 649 . 8 1 1 A 50 50 SER CB C 50 64.840 63.909 0.931 1
1 650 . 8 1 1 A 50 50 SER N N 50 115.695 116.032 -0.337 1
1 651 . 8 1 1 A 51 51 SER H H 51 7.980 8.758 -0.778 1
1 652 . 8 1 1 A 51 51 SER HA H 51 4.258 4.081 0.177 1
1 655 . 8 1 1 A 51 51 SER C C 51 174.427 174.737 -0.310 1
1 656 . 8 1 1 A 51 51 SER CA C 51 62.828 60.917 1.911 1
1 657 . 8 1 1 A 51 51 SER CB C 51 64.749 61.363 3.386 1
1 658 . 8 1 1 A 51 51 SER N N 51 117.126 115.635 1.491 1
1 659 . 8 1 1 A 52 52 ILE H H 52 7.365 7.509 -0.144 1
1 660 . 8 1 1 A 52 52 ILE HA H 52 4.038 4.167 -0.129 1
1 670 . 8 1 1 A 52 52 ILE C C 52 175.627 177.685 -2.058 1
1 671 . 8 1 1 A 52 52 ILE CA C 52 64.609 62.993 1.616 1
1 672 . 8 1 1 A 52 52 ILE CB C 52 39.272 38.553 0.719 1
1 676 . 8 1 1 A 52 52 ILE N N 52 117.484 116.898 0.586 1
1 677 . 8 1 1 A 53 53 ASP H H 53 7.681 8.378 -0.697 1
1 678 . 8 1 1 A 53 53 ASP HA H 53 4.214 4.522 -0.308 1
1 681 . 8 1 1 A 53 53 ASP C C 53 174.027 178.467 -4.440 1
1 682 . 8 1 1 A 53 53 ASP CA C 53 59.799 57.181 2.618 1
1 683 . 8 1 1 A 53 53 ASP CB C 53 42.927 40.590 2.337 1
1 684 . 8 1 1 A 53 53 ASP N N 53 121.969 123.191 -1.222 1
1 685 . 8 1 1 A 54 54 ASP H H 54 8.227 8.288 -0.061 1
1 686 . 8 1 1 A 54 54 ASP HA H 54 4.231 4.379 -0.148 1
1 689 . 8 1 1 A 54 54 ASP C C 54 172.927 178.804 -5.877 1
1 690 . 8 1 1 A 54 54 ASP CA C 54 59.507 57.511 1.996 1
1 691 . 8 1 1 A 54 54 ASP CB C 54 41.818 41.304 0.514 1
1 692 . 8 1 1 A 54 54 ASP N N 54 118.083 119.554 -1.471 1
1 693 . 8 1 1 A 55 55 LEU H H 55 7.650 7.925 -0.275 1
1 694 . 8 1 1 A 55 55 LEU HA H 55 4.016 4.130 -0.114 1
1 704 . 8 1 1 A 55 55 LEU C C 55 171.927 179.132 -7.205 1
1 705 . 8 1 1 A 55 55 LEU CA C 55 59.965 58.034 1.931 1
1 706 . 8 1 1 A 55 55 LEU CB C 55 43.370 41.571 1.799 1
1 710 . 8 1 1 A 55 55 LEU N N 55 121.634 120.291 1.343 1
1 711 . 8 1 1 A 56 56 MET H H 56 8.429 8.551 -0.122 1
1 712 . 8 1 1 A 56 56 MET HA H 56 4.325 4.072 0.253 1
1 720 . 8 1 1 A 56 56 MET C C 56 172.527 178.482 -5.955 1
1 721 . 8 1 1 A 56 56 MET CA C 56 59.221 59.795 -0.574 1
1 722 . 8 1 1 A 56 56 MET CB C 56 34.106 32.595 1.511 1
1 725 . 8 1 1 A 56 56 MET N N 56 118.696 117.819 0.877 1
1 726 . 8 1 1 A 57 57 LYS H H 57 8.249 7.890 0.359 1
1 727 . 8 1 1 A 57 57 LYS HA H 57 3.996 4.137 -0.141 1
1 736 . 8 1 1 A 57 57 LYS C C 57 172.527 179.200 -6.673 1
1 737 . 8 1 1 A 57 57 LYS CA C 57 60.872 59.061 1.811 1
1 738 . 8 1 1 A 57 57 LYS CB C 57 33.853 31.982 1.871 1
1 742 . 8 1 1 A 57 57 LYS N N 57 119.855 120.439 -0.584 1
1 743 . 8 1 1 A 58 58 SER H H 58 7.729 7.846 -0.117 1
1 744 . 8 1 1 A 58 58 SER HA H 58 4.125 4.313 -0.188 1
1 747 . 8 1 1 A 58 58 SER C C 58 176.527 176.430 0.097 1
1 748 . 8 1 1 A 58 58 SER CA C 58 63.029 60.600 2.429 1
1 749 . 8 1 1 A 58 58 SER CB C 58 64.686 63.383 1.303 1
1 750 . 8 1 1 A 58 58 SER N N 58 115.984 114.658 1.326 1
1 751 . 8 1 1 A 59 59 LEU H H 59 7.288 7.766 -0.478 1
1 752 . 8 1 1 A 59 59 LEU HA H 59 4.058 4.095 -0.037 1
1 762 . 8 1 1 A 59 59 LEU C C 59 175.827 178.967 -3.140 1
1 763 . 8 1 1 A 59 59 LEU CA C 59 57.364 57.670 -0.306 1
1 764 . 8 1 1 A 59 59 LEU CB C 59 42.712 41.625 1.087 1
1 768 . 8 1 1 A 59 59 LEU N N 59 120.622 122.308 -1.686 1
1 769 . 8 1 1 A 60 60 ASP H H 60 7.431 8.444 -1.013 1
1 770 . 8 1 1 A 60 60 ASP HA H 60 4.386 4.393 -0.007 1
1 773 . 8 1 1 A 60 60 ASP C C 60 175.927 178.848 -2.921 1
1 774 . 8 1 1 A 60 60 ASP CA C 60 57.012 57.510 -0.498 1
1 775 . 8 1 1 A 60 60 ASP CB C 60 42.351 40.278 2.073 1
1 776 . 8 1 1 A 60 60 ASP N N 60 116.755 119.974 -3.219 1
1 777 . 8 1 1 A 61 61 LYS H H 61 7.243 7.809 -0.566 1
1 778 . 8 1 1 A 61 61 LYS HA H 61 4.223 3.971 0.252 1
1 787 . 8 1 1 A 61 61 LYS C C 61 176.527 178.097 -1.570 1
1 788 . 8 1 1 A 61 61 LYS CA C 61 57.287 59.148 -1.861 1
1 789 . 8 1 1 A 61 61 LYS CB C 61 34.683 32.190 2.493 1
1 793 . 8 1 1 A 61 61 LYS N N 61 119.913 120.042 -0.129 1
1 794 . 8 1 1 A 62 62 ASN H H 62 8.725 8.090 0.635 1
1 795 . 8 1 1 A 62 62 ASN HA H 62 4.462 4.833 -0.371 1
1 800 . 8 1 1 A 62 62 ASN C C 62 175.627 176.230 -0.603 1
1 801 . 8 1 1 A 62 62 ASN CA C 62 55.452 54.427 1.025 1
1 802 . 8 1 1 A 62 62 ASN CB C 62 39.336 39.390 -0.054 1
1 803 . 8 1 1 A 62 62 ASN N N 62 120.247 115.698 4.549 1
1 805 . 8 1 1 A 63 63 SER H H 63 8.061 8.265 -0.204 1
1 806 . 8 1 1 A 63 63 SER HA H 63 3.957 4.478 -0.521 1
1 809 . 8 1 1 A 63 63 SER C C 63 174.827 174.155 0.672 1
1 810 . 8 1 1 A 63 63 SER CA C 63 62.954 60.028 2.926 1
1 811 . 8 1 1 A 63 63 SER CB C 63 65.586 61.532 4.054 1
1 812 . 8 1 1 A 63 63 SER N N 63 113.249 114.274 -1.025 1
1 813 . 8 1 1 A 64 64 ASP H H 64 8.408 8.443 -0.035 1
1 814 . 8 1 1 A 64 64 ASP HA H 64 4.573 4.728 -0.155 1
1 817 . 8 1 1 A 64 64 ASP C C 64 176.027 174.354 1.673 1
1 818 . 8 1 1 A 64 64 ASP CA C 64 55.789 53.904 1.885 1
1 819 . 8 1 1 A 64 64 ASP CB C 64 42.365 41.175 1.190 1
1 820 . 8 1 1 A 64 64 ASP N N 64 117.587 117.991 -0.404 1
1 821 . 8 1 1 A 65 65 GLN H H 65 7.779 7.283 0.496 1
1 822 . 8 1 1 A 65 65 GLN HA H 65 4.026 4.767 -0.741 1
1 829 . 8 1 1 A 65 65 GLN C C 65 176.827 175.215 1.612 1
1 830 . 8 1 1 A 65 65 GLN CA C 65 58.241 54.063 4.178 1
1 831 . 8 1 1 A 65 65 GLN CB C 65 31.309 32.594 -1.285 1
1 833 . 8 1 1 A 65 65 GLN N N 65 121.059 116.918 4.141 1
1 835 . 8 1 1 A 66 66 GLU H H 66 8.365 8.607 -0.242 1
1 836 . 8 1 1 A 66 66 GLU HA H 66 4.320 4.800 -0.480 1
1 841 . 8 1 1 A 66 66 GLU C C 66 176.227 176.630 -0.403 1
1 842 . 8 1 1 A 66 66 GLU CA C 66 58.238 56.801 1.437 1
1 843 . 8 1 1 A 66 66 GLU CB C 66 32.567 30.388 2.179 1
1 845 . 8 1 1 A 66 66 GLU N N 66 123.061 121.829 1.232 1
1 846 . 8 1 1 A 67 67 ILE H H 67 9.350 9.040 0.310 1
1 847 . 8 1 1 A 67 67 ILE HA H 67 4.543 5.011 -0.468 1
1 857 . 8 1 1 A 67 67 ILE C C 67 178.127 175.208 2.919 1
1 858 . 8 1 1 A 67 67 ILE CA C 67 61.173 58.818 2.355 1
1 859 . 8 1 1 A 67 67 ILE CB C 67 41.460 42.153 -0.693 1
1 863 . 8 1 1 A 67 67 ILE N N 67 121.809 118.377 3.432 1
1 864 . 8 1 1 A 68 68 ASP H H 68 8.140 8.570 -0.430 1
1 865 . 8 1 1 A 68 68 ASP HA H 68 5.408 5.210 0.198 1
1 868 . 8 1 1 A 68 68 ASP C C 68 176.127 176.375 -0.248 1
1 869 . 8 1 1 A 68 68 ASP CA C 68 53.471 52.559 0.912 1
1 870 . 8 1 1 A 68 68 ASP CB C 68 43.898 41.932 1.966 1
1 871 . 8 1 1 A 68 68 ASP N N 68 122.626 122.639 -0.013 1
1 872 . 8 1 1 A 69 69 PHE H H 69 9.486 8.928 0.558 1
1 873 . 8 1 1 A 69 69 PHE HA H 69 3.397 3.629 -0.232 1
1 880 . 8 1 1 A 69 69 PHE C C 69 174.727 177.623 -2.896 1
1 881 . 8 1 1 A 69 69 PHE CA C 69 63.764 61.013 2.751 1
1 882 . 8 1 1 A 69 69 PHE CB C 69 42.009 39.008 3.001 1
1 883 . 8 1 1 A 69 69 PHE N N 69 118.584 120.005 -1.421 1
1 884 . 8 1 1 A 70 70 LYS H H 70 7.510 8.357 -0.847 1
1 885 . 8 1 1 A 70 70 LYS HA H 70 3.633 3.931 -0.298 1
1 894 . 8 1 1 A 70 70 LYS C C 70 173.627 178.844 -5.217 1
1 895 . 8 1 1 A 70 70 LYS CA C 70 61.940 59.190 2.750 1
1 896 . 8 1 1 A 70 70 LYS CB C 70 33.189 32.325 0.864 1
1 900 . 8 1 1 A 70 70 LYS N N 70 117.327 119.805 -2.478 1
1 901 . 8 1 1 A 71 71 GLU H H 71 8.151 8.372 -0.221 1
1 902 . 8 1 1 A 71 71 GLU HA H 71 3.930 4.048 -0.118 1
1 907 . 8 1 1 A 71 71 GLU C C 71 173.127 178.984 -5.857 1
1 908 . 8 1 1 A 71 71 GLU CA C 71 61.000 59.543 1.457 1
1 909 . 8 1 1 A 71 71 GLU CB C 71 31.639 29.487 2.152 1
1 911 . 8 1 1 A 71 71 GLU N N 71 120.925 118.950 1.975 1
1 912 . 8 1 1 A 72 72 TYR H H 72 8.454 8.198 0.256 1
1 913 . 8 1 1 A 72 72 TYR HA H 72 4.047 4.347 -0.300 1
1 920 . 8 1 1 A 72 72 TYR C C 72 177.227 177.868 -0.641 1
1 921 . 8 1 1 A 72 72 TYR CA C 72 62.068 61.401 0.667 1
1 922 . 8 1 1 A 72 72 TYR CB C 72 39.522 38.641 0.881 1
1 923 . 8 1 1 A 72 72 TYR N N 72 123.271 122.721 0.550 1
1 924 . 8 1 1 A 73 73 SER H H 73 7.990 8.185 -0.195 1
1 925 . 8 1 1 A 73 73 SER HA H 73 3.245 3.918 -0.673 1
1 928 . 8 1 1 A 73 73 SER C C 73 174.327 176.413 -2.086 1
1 929 . 8 1 1 A 73 73 SER CA C 73 62.841 61.235 1.606 1
1 930 . 8 1 1 A 73 73 SER CB C 73 64.317 62.153 2.164 1
1 931 . 8 1 1 A 73 73 SER N N 73 115.432 114.322 1.110 1
1 932 . 8 1 1 A 74 74 VAL H H 74 8.112 7.939 0.173 1
1 933 . 8 1 1 A 74 74 VAL HA H 74 3.375 3.772 -0.397 1
1 941 . 8 1 1 A 74 74 VAL C C 74 174.427 178.217 -3.790 1
1 942 . 8 1 1 A 74 74 VAL CA C 74 68.677 65.858 2.819 1
1 943 . 8 1 1 A 74 74 VAL CB C 74 33.164 31.424 1.740 1
1 946 . 8 1 1 A 74 74 VAL N N 74 123.807 119.076 4.731 1
1 947 . 8 1 1 A 75 75 PHE H H 75 8.149 8.077 0.072 1
1 948 . 8 1 1 A 75 75 PHE HA H 75 3.878 4.222 -0.344 1
1 955 . 8 1 1 A 75 75 PHE C C 75 174.627 177.010 -2.383 1
1 956 . 8 1 1 A 75 75 PHE CA C 75 64.444 61.416 3.028 1
1 957 . 8 1 1 A 75 75 PHE CB C 75 40.823 39.047 1.776 1
1 958 . 8 1 1 A 75 75 PHE N N 75 122.351 124.034 -1.683 1
1 959 . 8 1 1 A 76 76 LEU H H 76 8.141 8.823 -0.682 1
1 960 . 8 1 1 A 76 76 LEU HA H 76 3.648 3.932 -0.284 1
1 970 . 8 1 1 A 76 76 LEU C C 76 173.327 179.917 -6.590 1
1 971 . 8 1 1 A 76 76 LEU CA C 76 59.810 57.712 2.098 1
1 972 . 8 1 1 A 76 76 LEU CB C 76 42.994 41.116 1.878 1
1 976 . 8 1 1 A 76 76 LEU N N 76 116.801 119.171 -2.370 1
1 977 . 8 1 1 A 77 77 THR H H 77 8.005 7.995 0.010 1
1 978 . 8 1 1 A 77 77 THR HA H 77 3.561 3.797 -0.236 1
1 984 . 8 1 1 A 77 77 THR C C 77 176.427 175.427 1.000 1
1 985 . 8 1 1 A 77 77 THR CA C 77 69.876 66.410 3.466 1
1 986 . 8 1 1 A 77 77 THR CB C 77 71.163 68.715 2.448 1
1 988 . 8 1 1 A 77 77 THR N N 77 116.415 115.493 0.922 1
1 989 . 8 1 1 A 78 78 MET H H 78 8.059 8.442 -0.383 1
1 990 . 8 1 1 A 78 78 MET HA H 78 3.771 4.015 -0.244 1
1 995 . 8 1 1 A 78 78 MET C C 78 172.927 178.339 -5.412 1
1 996 . 8 1 1 A 78 78 MET CA C 78 60.751 58.245 2.506 1
1 997 . 8 1 1 A 78 78 MET CB C 78 33.255 32.056 1.199 1
1 999 . 8 1 1 A 78 78 MET N N 78 120.960 119.584 1.376 1
1 1000 . 8 1 1 A 79 79 LEU H H 79 8.007 8.142 -0.135 1
1 1001 . 8 1 1 A 79 79 LEU HA H 79 3.646 3.978 -0.332 1
1 1011 . 8 1 1 A 79 79 LEU C C 79 174.527 178.272 -3.745 1
1 1012 . 8 1 1 A 79 79 LEU CA C 79 59.756 57.720 2.036 1
1 1013 . 8 1 1 A 79 79 LEU CB C 79 42.961 41.677 1.284 1
1 1017 . 8 1 1 A 79 79 LEU N N 79 120.772 120.436 0.336 1
1 1018 . 8 1 1 A 80 80 CYS H H 80 8.268 8.102 0.166 1
1 1019 . 8 1 1 A 80 80 CYS HA H 80 3.344 3.745 -0.401 1
1 1022 . 8 1 1 A 80 80 CYS C C 80 176.127 176.838 -0.711 1
1 1023 . 8 1 1 A 80 80 CYS CA C 80 64.083 62.440 1.643 1
1 1024 . 8 1 1 A 80 80 CYS CB C 80 28.199 26.825 1.374 1
1 1025 . 8 1 1 A 80 80 CYS N N 80 118.257 118.128 0.129 1
1 1026 . 8 1 1 A 81 81 MET H H 81 7.600 8.287 -0.687 1
1 1027 . 8 1 1 A 81 81 MET HA H 81 3.242 4.391 -1.149 1
1 1035 . 8 1 1 A 81 81 MET C C 81 176.227 176.265 -0.038 1
1 1036 . 8 1 1 A 81 81 MET CA C 81 60.091 56.715 3.376 1
1 1037 . 8 1 1 A 81 81 MET CB C 81 34.090 31.127 2.963 1
1 1040 . 8 1 1 A 81 81 MET N N 81 114.515 118.048 -3.533 1
1 1041 . 8 1 1 A 82 82 ALA H H 82 7.299 7.560 -0.261 1
1 1042 . 8 1 1 A 82 82 ALA HA H 82 4.121 4.335 -0.214 1
1 1046 . 8 1 1 A 82 82 ALA C C 82 173.827 176.979 -3.152 1
1 1047 . 8 1 1 A 82 82 ALA CA C 82 54.930 53.144 1.786 1
1 1048 . 8 1 1 A 82 82 ALA CB C 82 20.641 19.710 0.931 1
1 1049 . 8 1 1 A 82 82 ALA N N 82 118.977 121.525 -2.548 1
1 1050 . 8 1 1 A 83 83 TYR H H 83 7.623 7.235 0.388 1
1 1051 . 8 1 1 A 83 83 TYR HA H 83 4.771 4.944 -0.173 1
1 1058 . 8 1 1 A 83 83 TYR CA C 83 59.333 56.988 2.345 1
1 1059 . 8 1 1 A 83 83 TYR CB C 83 41.599 40.090 1.509 1
1 1060 . 8 1 1 A 83 83 TYR N N 83 113.311 114.054 -0.743 1
1 1061 . 8 1 1 A 84 84 ASN HA H 84 4.534 5.138 -0.604 1
1 1064 . 8 1 1 A 84 84 ASN CA C 84 56.126 52.325 3.801 1
1 1065 . 8 1 1 A 84 84 ASN CB C 84 41.990 38.459 3.531 1
1 1066 . 8 1 1 A 85 85 ASP H H 85 8.681 8.455 0.226 1
1 1067 . 8 1 1 A 85 85 ASP HA H 85 4.086 4.423 -0.337 1
1 1070 . 8 1 1 A 85 85 ASP CA C 85 58.457 56.762 1.695 1
1 1071 . 8 1 1 A 85 85 ASP CB C 85 42.260 40.877 1.383 1
1 1072 . 8 1 1 A 85 85 ASP N N 85 126.079 121.945 4.134 1
1 1073 . 8 1 1 A 86 86 PHE H H 86 8.672 7.994 0.678 1
1 1074 . 8 1 1 A 86 86 PHE HA H 86 3.744 4.066 -0.322 1
1 1081 . 8 1 1 A 86 86 PHE C C 86 176.827 176.501 0.326 1
1 1082 . 8 1 1 A 86 86 PHE CA C 86 62.903 60.049 2.854 1
1 1083 . 8 1 1 A 86 86 PHE CB C 86 41.596 39.223 2.373 1
1 1084 . 8 1 1 A 86 86 PHE N N 86 121.950 121.578 0.372 1
1 1085 . 8 1 1 A 87 87 PHE H H 87 7.225 8.065 -0.840 1
1 1086 . 8 1 1 A 87 87 PHE HA H 87 3.836 4.725 -0.889 1
1 1093 . 8 1 1 A 87 87 PHE C C 87 176.927 175.435 1.492 1
1 1094 . 8 1 1 A 87 87 PHE CA C 87 60.422 57.596 2.826 1
1 1095 . 8 1 1 A 87 87 PHE CB C 87 41.081 39.739 1.342 1
1 1096 . 8 1 1 A 87 87 PHE N N 87 110.928 114.457 -3.529 1
1 1097 . 8 1 1 A 88 88 LEU H H 88 7.130 7.465 -0.335 1
1 1098 . 8 1 1 A 88 88 LEU HA H 88 4.169 4.267 -0.098 1
1 1108 . 8 1 1 A 88 88 LEU C C 88 175.027 177.363 -2.336 1
1 1109 . 8 1 1 A 88 88 LEU CA C 88 56.962 55.116 1.846 1
1 1110 . 8 1 1 A 88 88 LEU CB C 88 44.199 42.900 1.299 1
1 1114 . 8 1 1 A 88 88 LEU N N 88 119.732 118.881 0.851 1
1 1115 . 8 1 1 A 89 89 GLU H H 89 8.097 9.048 -0.951 1
1 1116 . 8 1 1 A 89 89 GLU HA H 89 4.087 4.064 0.023 1
1 1121 . 8 1 1 A 89 89 GLU C C 89 176.427 176.593 -0.166 1
1 1122 . 8 1 1 A 89 89 GLU CA C 89 58.216 59.374 -1.158 1
1 1123 . 8 1 1 A 89 89 GLU CB C 89 32.309 30.050 2.259 1
1 1125 . 8 1 1 A 89 89 GLU N N 89 121.626 119.588 2.038 1
1 1126 . 8 1 1 A 90 90 ASP H H 90 8.243 8.115 0.128 1
1 1127 . 8 1 1 A 90 90 ASP HA H 90 4.425 4.290 0.135 1
1 1130 . 8 1 1 A 90 90 ASP C C 90 176.527 175.314 1.213 1
1 1131 . 8 1 1 A 90 90 ASP CA C 90 55.815 55.301 0.514 1
1 1132 . 8 1 1 A 90 90 ASP CB C 90 42.874 39.785 3.089 1
1 1133 . 8 1 1 A 90 90 ASP N N 90 121.280 119.342 1.938 1
1 1134 . 8 1 1 A 91 91 ASN H H 91 8.267 8.417 -0.150 1
1 1135 . 8 1 1 A 91 91 ASN HA H 91 4.563 4.393 0.170 1
1 1140 . 8 1 1 A 91 91 ASN C C 91 178.127 174.661 3.466 1
1 1141 . 8 1 1 A 91 91 ASN CA C 91 54.928 54.473 0.455 1
1 1142 . 8 1 1 A 91 91 ASN CB C 91 40.529 38.017 2.512 1
1 1143 . 8 1 1 A 91 91 ASN N N 91 119.209 115.770 3.439 1
1 14 . 9 1 1 A 2 2 GLU H H 2 8.722 8.587 0.135 1
1 15 . 9 1 1 A 2 2 GLU HA H 2 4.557 4.408 0.149 1
1 20 . 9 1 1 A 2 2 GLU C C 2 175.827 176.476 -0.649 1
1 21 . 9 1 1 A 2 2 GLU CA C 2 58.063 57.752 0.311 1
1 22 . 9 1 1 A 2 2 GLU CB C 2 33.147 30.811 2.336 1
1 24 . 9 1 1 A 2 2 GLU N N 2 124.627 119.497 5.130 1
1 25 . 9 1 1 A 3 3 THR H H 3 8.670 7.479 1.191 1
1 26 . 9 1 1 A 3 3 THR HA H 3 4.616 4.439 0.177 1
1 31 . 9 1 1 A 3 3 THR CA C 3 61.734 60.508 1.226 1
1 32 . 9 1 1 A 3 3 THR CB C 3 70.590 69.032 1.558 1
1 34 . 9 1 1 A 3 3 THR N N 3 116.274 112.047 4.227 1
1 35 . 9 1 1 A 4 4 PRO HA H 4 4.161 4.453 -0.292 1
1 42 . 9 1 1 A 4 4 PRO C C 4 172.227 177.916 -5.689 1
1 43 . 9 1 1 A 4 4 PRO CA C 4 68.211 65.471 2.740 1
1 44 . 9 1 1 A 4 4 PRO CB C 4 33.796 32.017 1.779 1
1 47 . 9 1 1 A 5 5 LEU H H 5 9.207 7.748 1.459 1
1 48 . 9 1 1 A 5 5 LEU HA H 5 4.038 4.087 -0.049 1
1 58 . 9 1 1 A 5 5 LEU C C 5 174.327 178.533 -4.206 1
1 59 . 9 1 1 A 5 5 LEU CA C 5 59.483 57.664 1.819 1
1 60 . 9 1 1 A 5 5 LEU CB C 5 43.877 41.586 2.291 1
1 64 . 9 1 1 A 5 5 LEU N N 5 119.157 117.856 1.301 1
1 65 . 9 1 1 A 6 6 GLU H H 6 7.661 8.037 -0.376 1
1 66 . 9 1 1 A 6 6 GLU HA H 6 3.755 3.978 -0.223 1
1 71 . 9 1 1 A 6 6 GLU C C 6 172.727 178.732 -6.005 1
1 72 . 9 1 1 A 6 6 GLU CA C 6 61.953 59.488 2.465 1
1 73 . 9 1 1 A 6 6 GLU CB C 6 31.354 29.417 1.937 1
1 75 . 9 1 1 A 6 6 GLU N N 6 119.837 118.581 1.256 1
1 76 . 9 1 1 A 7 7 LYS H H 7 8.430 7.627 0.803 1
1 77 . 9 1 1 A 7 7 LYS HA H 7 3.921 4.057 -0.136 1
1 86 . 9 1 1 A 7 7 LYS C C 7 172.927 179.397 -6.470 1
1 87 . 9 1 1 A 7 7 LYS CA C 7 61.312 59.182 2.130 1
1 88 . 9 1 1 A 7 7 LYS CB C 7 33.861 32.262 1.599 1
1 92 . 9 1 1 A 7 7 LYS N N 7 119.023 119.334 -0.311 1
1 93 . 9 1 1 A 8 8 ALA H H 8 8.079 7.926 0.153 1
1 94 . 9 1 1 A 8 8 ALA HA H 8 4.085 4.103 -0.018 1
1 98 . 9 1 1 A 8 8 ALA C C 8 173.027 180.138 -7.111 1
1 99 . 9 1 1 A 8 8 ALA CA C 8 56.967 54.984 1.983 1
1 100 . 9 1 1 A 8 8 ALA CB C 8 20.140 18.196 1.944 1
1 101 . 9 1 1 A 8 8 ALA N N 8 123.824 122.291 1.533 1
1 102 . 9 1 1 A 9 9 LEU H H 9 8.032 8.204 -0.172 1
1 103 . 9 1 1 A 9 9 LEU HA H 9 4.061 4.061 0.000 1
1 113 . 9 1 1 A 9 9 LEU C C 9 172.527 179.171 -6.644 1
1 114 . 9 1 1 A 9 9 LEU CA C 9 60.071 57.898 2.173 1
1 115 . 9 1 1 A 9 9 LEU CB C 9 42.714 42.775 -0.061 1
1 119 . 9 1 1 A 9 9 LEU N N 9 118.643 118.213 0.430 1
1 120 . 9 1 1 A 10 10 THR H H 10 8.686 8.238 0.448 1
1 121 . 9 1 1 A 10 10 THR HA H 10 3.798 3.960 -0.162 1
1 126 . 9 1 1 A 10 10 THR C C 10 175.127 176.855 -1.728 1
1 127 . 9 1 1 A 10 10 THR CA C 10 69.282 66.488 2.794 1
1 128 . 9 1 1 A 10 10 THR CB C 10 70.132 68.471 1.661 1
1 130 . 9 1 1 A 10 10 THR N N 10 117.087 114.187 2.900 1
1 131 . 9 1 1 A 11 11 THR H H 11 8.628 8.015 0.613 1
1 132 . 9 1 1 A 11 11 THR HA H 11 3.961 4.037 -0.076 1
1 137 . 9 1 1 A 11 11 THR C C 11 174.427 176.867 -2.440 1
1 138 . 9 1 1 A 11 11 THR CA C 11 68.408 66.303 2.105 1
1 139 . 9 1 1 A 11 11 THR CB C 11 69.107 68.350 0.757 1
1 141 . 9 1 1 A 11 11 THR N N 11 120.770 116.536 4.234 1
1 142 . 9 1 1 A 12 12 MET H H 12 8.390 8.714 -0.324 1
1 143 . 9 1 1 A 12 12 MET HA H 12 3.956 4.576 -0.620 1
1 151 . 9 1 1 A 12 12 MET C C 12 175.127 178.484 -3.357 1
1 152 . 9 1 1 A 12 12 MET CA C 12 62.750 58.146 4.604 1
1 153 . 9 1 1 A 12 12 MET CB C 12 34.952 32.806 2.146 1
1 156 . 9 1 1 A 12 12 MET N N 12 124.388 118.811 5.577 1
1 157 . 9 1 1 A 13 13 VAL H H 13 8.104 8.422 -0.318 1
1 158 . 9 1 1 A 13 13 VAL HA H 13 3.576 3.776 -0.200 1
1 166 . 9 1 1 A 13 13 VAL C C 13 175.327 178.420 -3.093 1
1 167 . 9 1 1 A 13 13 VAL CA C 13 68.958 65.676 3.282 1
1 168 . 9 1 1 A 13 13 VAL CB C 13 33.703 31.342 2.361 1
1 171 . 9 1 1 A 13 13 VAL N N 13 121.753 116.854 4.899 1
1 172 . 9 1 1 A 14 14 THR H H 14 9.186 8.330 0.856 1
1 173 . 9 1 1 A 14 14 THR HA H 14 3.774 4.053 -0.279 1
1 178 . 9 1 1 A 14 14 THR C C 14 173.927 176.212 -2.285 1
1 179 . 9 1 1 A 14 14 THR CA C 14 67.955 65.961 1.994 1
1 180 . 9 1 1 A 14 14 THR CB C 14 70.504 68.643 1.861 1
1 182 . 9 1 1 A 14 14 THR N N 14 114.911 116.408 -1.497 1
1 183 . 9 1 1 A 15 15 THR H H 15 8.453 8.139 0.314 1
1 184 . 9 1 1 A 15 15 THR HA H 15 3.859 4.346 -0.487 1
1 190 . 9 1 1 A 15 15 THR C C 15 178.127 176.552 1.575 1
1 191 . 9 1 1 A 15 15 THR CA C 15 69.609 65.200 4.409 1
1 192 . 9 1 1 A 15 15 THR CB C 15 70.511 68.806 1.705 1
1 194 . 9 1 1 A 15 15 THR N N 15 118.791 113.417 5.374 1
1 195 . 9 1 1 A 16 16 PHE H H 16 7.207 8.645 -1.438 1
1 196 . 9 1 1 A 16 16 PHE HA H 16 3.572 3.993 -0.421 1
1 203 . 9 1 1 A 16 16 PHE C C 16 178.527 177.358 1.169 1
1 204 . 9 1 1 A 16 16 PHE CA C 16 64.090 61.682 2.408 1
1 205 . 9 1 1 A 16 16 PHE CB C 16 41.091 38.899 2.192 1
1 206 . 9 1 1 A 16 16 PHE N N 16 121.331 122.972 -1.641 1
1 207 . 9 1 1 A 17 17 HIS H H 17 8.393 8.432 -0.039 1
1 208 . 9 1 1 A 17 17 HIS HA H 17 5.329 4.429 0.900 1
1 211 . 9 1 1 A 17 17 HIS C C 17 174.627 177.258 -2.631 1
1 212 . 9 1 1 A 17 17 HIS CA C 17 56.667 60.102 -3.435 1
1 213 . 9 1 1 A 17 17 HIS CB C 17 32.397 29.398 2.999 1
1 214 . 9 1 1 A 17 17 HIS N N 17 117.858 118.842 -0.984 1
1 215 . 9 1 1 A 18 18 LYS H H 18 7.767 7.864 -0.097 1
1 216 . 9 1 1 A 18 18 LYS HA H 18 3.553 3.720 -0.167 1
1 225 . 9 1 1 A 18 18 LYS C C 18 175.527 176.926 -1.399 1
1 226 . 9 1 1 A 18 18 LYS CA C 18 61.301 58.815 2.486 1
1 227 . 9 1 1 A 18 18 LYS CB C 18 33.523 32.027 1.496 1
1 231 . 9 1 1 A 18 18 LYS N N 18 120.691 117.242 3.449 1
1 232 . 9 1 1 A 19 19 TYR H H 19 7.079 7.485 -0.406 1
1 233 . 9 1 1 A 19 19 TYR HA H 19 3.993 4.610 -0.617 1
1 240 . 9 1 1 A 19 19 TYR C C 19 174.227 175.746 -1.519 1
1 241 . 9 1 1 A 19 19 TYR CA C 19 61.287 57.542 3.745 1
1 242 . 9 1 1 A 19 19 TYR CB C 19 42.066 38.827 3.239 1
1 243 . 9 1 1 A 19 19 TYR N N 19 114.592 117.101 -2.509 1
1 244 . 9 1 1 A 20 20 SER H H 20 9.708 7.414 2.294 1
1 245 . 9 1 1 A 20 20 SER HA H 20 4.117 4.551 -0.434 1
1 248 . 9 1 1 A 20 20 SER C C 20 175.227 175.802 -0.575 1
1 249 . 9 1 1 A 20 20 SER CA C 20 60.135 58.680 1.455 1
1 250 . 9 1 1 A 20 20 SER CB C 20 63.159 64.134 -0.975 1
1 251 . 9 1 1 A 20 20 SER N N 20 121.764 112.091 9.673 1
1 252 . 9 1 1 A 21 21 GLY H H 21 8.146 7.670 0.476 1
1 253 . 9 1 1 A 21 21 GLY HA2 H 21 3.956 3.894 0.062 1
1 254 . 9 1 1 A 21 21 GLY HA3 H 21 3.571 3.960 -0.389 1
1 255 . 9 1 1 A 21 21 GLY C C 21 177.927 174.525 3.402 1
1 256 . 9 1 1 A 21 21 GLY CA C 21 46.646 45.613 1.033 1
1 257 . 9 1 1 A 21 21 GLY N N 21 106.982 109.133 -2.151 1
1 258 . 9 1 1 A 22 22 ARG H H 22 7.007 7.972 -0.965 1
1 259 . 9 1 1 A 22 22 ARG HA H 22 3.815 4.495 -0.680 1
1 266 . 9 1 1 A 22 22 ARG C C 22 175.927 176.905 -0.978 1
1 267 . 9 1 1 A 22 22 ARG CA C 22 60.766 55.726 5.040 1
1 268 . 9 1 1 A 22 22 ARG CB C 22 32.302 31.991 0.311 1
1 271 . 9 1 1 A 22 22 ARG N N 22 118.055 116.440 1.615 1
1 272 . 9 1 1 A 23 23 GLU H H 23 7.551 8.182 -0.631 1
1 273 . 9 1 1 A 23 23 GLU HA H 23 4.436 4.470 -0.034 1
1 278 . 9 1 1 A 23 23 GLU C C 23 177.727 177.732 -0.005 1
1 279 . 9 1 1 A 23 23 GLU CA C 23 56.853 57.520 -0.667 1
1 280 . 9 1 1 A 23 23 GLU CB C 23 33.988 31.721 2.267 1
1 282 . 9 1 1 A 23 23 GLU N N 23 114.631 118.257 -3.626 1
1 283 . 9 1 1 A 24 24 GLY H H 24 8.376 7.569 0.807 1
1 284 . 9 1 1 A 24 24 GLY HA2 H 24 3.771 4.079 -0.308 1
1 285 . 9 1 1 A 24 24 GLY HA3 H 24 3.567 4.092 -0.525 1
1 286 . 9 1 1 A 24 24 GLY C C 24 177.127 174.249 2.878 1
1 287 . 9 1 1 A 24 24 GLY CA C 24 47.718 45.988 1.730 1
1 288 . 9 1 1 A 24 24 GLY N N 24 107.626 107.641 -0.015 1
1 289 . 9 1 1 A 25 25 SER H H 25 8.443 7.335 1.108 1
1 290 . 9 1 1 A 25 25 SER HA H 25 4.314 4.621 -0.307 1
1 293 . 9 1 1 A 25 25 SER C C 25 175.527 173.686 1.841 1
1 294 . 9 1 1 A 25 25 SER CA C 25 59.146 56.985 2.161 1
1 295 . 9 1 1 A 25 25 SER CB C 25 65.573 64.864 0.709 1
1 296 . 9 1 1 A 25 25 SER N N 25 119.000 112.715 6.285 1
1 297 . 9 1 1 A 26 26 LYS H H 26 8.821 8.673 0.148 1
1 298 . 9 1 1 A 26 26 LYS HA H 26 4.307 4.337 -0.030 1
1 307 . 9 1 1 A 26 26 LYS C C 26 176.027 176.683 -0.656 1
1 308 . 9 1 1 A 26 26 LYS CA C 26 59.180 58.421 0.759 1
1 309 . 9 1 1 A 26 26 LYS CB C 26 33.211 32.325 0.886 1
1 313 . 9 1 1 A 26 26 LYS N N 26 126.125 125.108 1.017 1
1 314 . 9 1 1 A 27 27 LEU H H 27 8.237 7.918 0.319 1
1 315 . 9 1 1 A 27 27 LEU HA H 27 4.534 4.840 -0.306 1
1 325 . 9 1 1 A 27 27 LEU C C 27 175.627 176.004 -0.377 1
1 326 . 9 1 1 A 27 27 LEU CA C 27 56.384 54.401 1.983 1
1 327 . 9 1 1 A 27 27 LEU CB C 27 44.218 43.731 0.487 1
1 331 . 9 1 1 A 27 27 LEU N N 27 117.484 117.514 -0.030 1
1 332 . 9 1 1 A 28 28 THR H H 28 7.386 7.826 -0.440 1
1 333 . 9 1 1 A 28 28 THR HA H 28 5.517 5.363 0.154 1
1 338 . 9 1 1 A 28 28 THR C C 28 180.227 172.716 7.511 1
1 339 . 9 1 1 A 28 28 THR CA C 28 61.014 60.148 0.866 1
1 340 . 9 1 1 A 28 28 THR CB C 28 75.348 71.966 3.382 1
1 342 . 9 1 1 A 28 28 THR N N 28 106.230 110.609 -4.379 1
1 343 . 9 1 1 A 29 29 LEU H H 29 8.721 8.440 0.281 1
1 344 . 9 1 1 A 29 29 LEU HA H 29 4.713 4.853 -0.140 1
1 354 . 9 1 1 A 29 29 LEU C C 29 176.927 175.553 1.374 1
1 355 . 9 1 1 A 29 29 LEU CA C 29 55.163 53.796 1.367 1
1 356 . 9 1 1 A 29 29 LEU CB C 29 46.059 45.108 0.951 1
1 360 . 9 1 1 A 29 29 LEU N N 29 116.728 120.166 -3.438 1
1 361 . 9 1 1 A 30 30 SER H H 30 8.866 8.699 0.167 1
1 362 . 9 1 1 A 30 30 SER HA H 30 4.942 4.836 0.106 1
1 365 . 9 1 1 A 30 30 SER C C 30 176.327 175.247 1.080 1
1 366 . 9 1 1 A 30 30 SER CA C 30 59.032 57.060 1.972 1
1 367 . 9 1 1 A 30 30 SER CB C 30 67.150 65.487 1.663 1
1 368 . 9 1 1 A 30 30 SER N N 30 117.110 115.540 1.570 1
1 369 . 9 1 1 A 31 31 ARG H H 31 8.393 8.933 -0.540 1
1 370 . 9 1 1 A 31 31 ARG HA H 31 3.695 3.916 -0.221 1
1 377 . 9 1 1 A 31 31 ARG C C 31 174.127 178.109 -3.982 1
1 378 . 9 1 1 A 31 31 ARG CA C 31 62.776 59.885 2.891 1
1 379 . 9 1 1 A 31 31 ARG CB C 31 31.601 30.114 1.487 1
1 382 . 9 1 1 A 31 31 ARG N N 31 121.109 122.461 -1.352 1
1 383 . 9 1 1 A 32 32 LYS H H 32 8.264 8.175 0.089 1
1 384 . 9 1 1 A 32 32 LYS HA H 32 3.912 4.027 -0.115 1
1 393 . 9 1 1 A 32 32 LYS C C 32 172.827 179.326 -6.499 1
1 394 . 9 1 1 A 32 32 LYS CA C 32 61.591 59.533 2.058 1
1 395 . 9 1 1 A 32 32 LYS CB C 32 34.116 32.328 1.788 1
1 399 . 9 1 1 A 32 32 LYS N N 32 118.536 117.662 0.874 1
1 400 . 9 1 1 A 33 33 GLU H H 33 7.790 7.693 0.097 1
1 401 . 9 1 1 A 33 33 GLU HA H 33 4.049 4.080 -0.031 1
1 406 . 9 1 1 A 33 33 GLU C C 33 174.327 178.695 -4.368 1
1 407 . 9 1 1 A 33 33 GLU CA C 33 60.634 58.620 2.014 1
1 408 . 9 1 1 A 33 33 GLU CB C 33 31.617 29.894 1.723 1
1 410 . 9 1 1 A 33 33 GLU N N 33 121.557 119.533 2.024 1
1 411 . 9 1 1 A 34 34 LEU H H 34 8.388 8.018 0.370 1
1 412 . 9 1 1 A 34 34 LEU HA H 34 3.844 3.880 -0.036 1
1 422 . 9 1 1 A 34 34 LEU C C 34 174.927 178.438 -3.511 1
1 423 . 9 1 1 A 34 34 LEU CA C 34 59.173 57.569 1.604 1
1 424 . 9 1 1 A 34 34 LEU CB C 34 42.053 41.517 0.536 1
1 428 . 9 1 1 A 34 34 LEU N N 34 120.999 121.752 -0.753 1
1 429 . 9 1 1 A 35 35 LYS H H 35 7.817 8.086 -0.269 1
1 430 . 9 1 1 A 35 35 LYS HA H 35 3.478 3.848 -0.370 1
1 439 . 9 1 1 A 35 35 LYS C C 35 174.627 178.190 -3.563 1
1 440 . 9 1 1 A 35 35 LYS CA C 35 62.312 59.067 3.245 1
1 441 . 9 1 1 A 35 35 LYS CB C 35 33.814 32.052 1.762 1
1 445 . 9 1 1 A 35 35 LYS N N 35 118.738 118.688 0.050 1
1 446 . 9 1 1 A 36 36 GLU H H 36 7.208 7.751 -0.543 1
1 447 . 9 1 1 A 36 36 GLU HA H 36 3.801 4.059 -0.258 1
1 452 . 9 1 1 A 36 36 GLU C C 36 175.227 178.244 -3.017 1
1 453 . 9 1 1 A 36 36 GLU CA C 36 61.015 58.531 2.484 1
1 454 . 9 1 1 A 36 36 GLU CB C 36 30.770 29.748 1.022 1
1 456 . 9 1 1 A 36 36 GLU N N 36 118.771 118.771 0.000 1
1 457 . 9 1 1 A 37 37 LEU H H 37 8.038 7.772 0.266 1
1 458 . 9 1 1 A 37 37 LEU HA H 37 3.178 3.171 0.007 1
1 468 . 9 1 1 A 37 37 LEU C C 37 172.927 178.304 -5.377 1
1 469 . 9 1 1 A 37 37 LEU CA C 37 60.915 57.852 3.063 1
1 470 . 9 1 1 A 37 37 LEU CB C 37 43.352 41.449 1.903 1
1 474 . 9 1 1 A 37 37 LEU N N 37 121.767 120.554 1.213 1
1 475 . 9 1 1 A 38 38 ILE H H 38 8.224 7.667 0.557 1
1 476 . 9 1 1 A 38 38 ILE HA H 38 3.234 4.162 -0.928 1
1 486 . 9 1 1 A 38 38 ILE C C 38 174.727 176.653 -1.926 1
1 487 . 9 1 1 A 38 38 ILE CA C 38 66.464 62.516 3.948 1
1 488 . 9 1 1 A 38 38 ILE CB C 38 38.799 37.542 1.257 1
1 492 . 9 1 1 A 38 38 ILE N N 38 119.417 118.777 0.640 1
1 493 . 9 1 1 A 39 39 LYS H H 39 7.700 7.967 -0.267 1
1 494 . 9 1 1 A 39 39 LYS HA H 39 3.894 4.568 -0.674 1
1 503 . 9 1 1 A 39 39 LYS C C 39 173.727 178.001 -4.274 1
1 504 . 9 1 1 A 39 39 LYS CA C 39 61.015 56.042 4.973 1
1 505 . 9 1 1 A 39 39 LYS CB C 39 34.100 33.547 0.553 1
1 509 . 9 1 1 A 39 39 LYS N N 39 117.277 120.356 -3.079 1
1 510 . 9 1 1 A 40 40 LYS H H 40 8.170 8.080 0.090 1
1 511 . 9 1 1 A 40 40 LYS HA H 40 4.226 4.177 0.049 1
1 520 . 9 1 1 A 40 40 LYS C C 40 173.427 178.500 -5.073 1
1 521 . 9 1 1 A 40 40 LYS CA C 40 59.251 58.921 0.330 1
1 522 . 9 1 1 A 40 40 LYS CB C 40 35.528 32.767 2.761 1
1 526 . 9 1 1 A 40 40 LYS N N 40 115.146 119.784 -4.638 1
1 527 . 9 1 1 A 41 41 GLU H H 41 8.778 8.071 0.707 1
1 528 . 9 1 1 A 41 41 GLU HA H 41 4.629 4.336 0.293 1
1 533 . 9 1 1 A 41 41 GLU C C 41 175.527 176.127 -0.600 1
1 534 . 9 1 1 A 41 41 GLU CA C 41 57.177 57.516 -0.339 1
1 535 . 9 1 1 A 41 41 GLU CB C 41 31.656 29.977 1.679 1
1 537 . 9 1 1 A 41 41 GLU N N 41 113.604 117.188 -3.584 1
1 538 . 9 1 1 A 42 42 LEU H H 42 7.610 7.810 -0.200 1
1 539 . 9 1 1 A 42 42 LEU HA H 42 4.475 4.728 -0.253 1
1 549 . 9 1 1 A 42 42 LEU C C 42 177.227 175.064 2.163 1
1 550 . 9 1 1 A 42 42 LEU CA C 42 56.047 54.122 1.925 1
1 551 . 9 1 1 A 42 42 LEU CB C 42 45.748 44.388 1.360 1
1 555 . 9 1 1 A 42 42 LEU N N 42 118.997 120.371 -1.374 1
1 556 . 9 1 1 A 43 43 CYS H H 43 8.501 8.797 -0.296 1
1 557 . 9 1 1 A 43 43 CYS HA H 43 4.397 4.556 -0.159 1
1 560 . 9 1 1 A 43 43 CYS C C 43 177.327 174.826 2.501 1
1 561 . 9 1 1 A 43 43 CYS CA C 43 60.023 59.308 0.715 1
1 562 . 9 1 1 A 43 43 CYS CB C 43 27.915 27.615 0.300 1
1 563 . 9 1 1 A 43 43 CYS N N 43 119.622 124.864 -5.242 1
1 564 . 9 1 1 A 44 44 LEU H H 44 8.200 8.053 0.147 1
1 565 . 9 1 1 A 44 44 LEU HA H 44 3.979 4.395 -0.416 1
1 575 . 9 1 1 A 44 44 LEU C C 44 173.927 179.007 -5.080 1
1 576 . 9 1 1 A 44 44 LEU CA C 44 57.244 55.256 1.988 1
1 577 . 9 1 1 A 44 44 LEU CB C 44 43.622 42.483 1.139 1
1 581 . 9 1 1 A 44 44 LEU N N 44 121.955 127.907 -5.952 1
1 582 . 9 1 1 A 45 45 GLY H H 45 8.244 8.286 -0.042 1
1 583 . 9 1 1 A 45 45 GLY HA2 H 45 3.849 3.954 -0.105 1
1 584 . 9 1 1 A 45 45 GLY HA3 H 45 3.789 3.963 -0.174 1
1 585 . 9 1 1 A 45 45 GLY C C 45 178.027 174.505 3.522 1
1 586 . 9 1 1 A 45 45 GLY CA C 45 47.023 46.463 0.560 1
1 587 . 9 1 1 A 45 45 GLY N N 45 107.702 106.963 0.739 1
1 588 . 9 1 1 A 46 46 GLU H H 46 8.286 8.051 0.235 1
1 589 . 9 1 1 A 46 46 GLU HA H 46 4.039 4.272 -0.233 1
1 594 . 9 1 1 A 46 46 GLU C C 46 175.127 175.859 -0.732 1
1 595 . 9 1 1 A 46 46 GLU CA C 46 59.176 56.133 3.043 1
1 596 . 9 1 1 A 46 46 GLU CB C 46 31.361 29.356 2.005 1
1 598 . 9 1 1 A 46 46 GLU N N 46 119.602 116.421 3.181 1
1 599 . 9 1 1 A 47 47 MET H H 47 8.048 7.698 0.350 1
1 600 . 9 1 1 A 47 47 MET HA H 47 4.229 4.520 -0.291 1
1 608 . 9 1 1 A 47 47 MET C C 47 175.727 175.501 0.226 1
1 609 . 9 1 1 A 47 47 MET CA C 47 58.183 55.808 2.375 1
1 610 . 9 1 1 A 47 47 MET CB C 47 34.087 35.301 -1.214 1
1 613 . 9 1 1 A 47 47 MET N N 47 119.617 117.141 2.476 1
1 614 . 9 1 1 A 48 48 LYS H H 48 8.221 7.794 0.427 1
1 615 . 9 1 1 A 48 48 LYS HA H 48 4.217 4.827 -0.610 1
1 624 . 9 1 1 A 48 48 LYS C C 48 174.927 175.479 -0.552 1
1 625 . 9 1 1 A 48 48 LYS CA C 48 58.304 54.821 3.483 1
1 626 . 9 1 1 A 48 48 LYS CB C 48 34.548 37.148 -2.600 1
1 630 . 9 1 1 A 48 48 LYS N N 48 120.987 116.948 4.039 1
1 631 . 9 1 1 A 49 49 GLU H H 49 8.346 8.735 -0.389 1
1 632 . 9 1 1 A 49 49 GLU HA H 49 3.922 4.627 -0.705 1
1 637 . 9 1 1 A 49 49 GLU C C 49 174.427 176.548 -2.121 1
1 638 . 9 1 1 A 49 49 GLU CA C 49 60.298 55.500 4.798 1
1 639 . 9 1 1 A 49 49 GLU CB C 49 31.065 29.703 1.362 1
1 641 . 9 1 1 A 49 49 GLU N N 49 121.867 118.585 3.282 1
1 642 . 9 1 1 A 50 50 SER H H 50 8.348 8.858 -0.510 1
1 643 . 9 1 1 A 50 50 SER HA H 50 4.172 4.228 -0.056 1
1 647 . 9 1 1 A 50 50 SER C C 50 176.027 176.287 -0.260 1
1 648 . 9 1 1 A 50 50 SER CA C 50 62.548 61.635 0.913 1
1 649 . 9 1 1 A 50 50 SER CB C 50 64.840 62.771 2.069 1
1 650 . 9 1 1 A 50 50 SER N N 50 115.695 114.696 0.999 1
1 651 . 9 1 1 A 51 51 SER H H 51 7.980 8.423 -0.443 1
1 652 . 9 1 1 A 51 51 SER HA H 51 4.258 4.527 -0.269 1
1 655 . 9 1 1 A 51 51 SER C C 51 174.427 174.954 -0.527 1
1 656 . 9 1 1 A 51 51 SER CA C 51 62.828 58.675 4.153 1
1 657 . 9 1 1 A 51 51 SER CB C 51 64.749 63.354 1.395 1
1 658 . 9 1 1 A 51 51 SER N N 51 117.126 115.266 1.860 1
1 659 . 9 1 1 A 52 52 ILE H H 52 7.365 7.681 -0.316 1
1 660 . 9 1 1 A 52 52 ILE HA H 52 4.038 4.443 -0.405 1
1 670 . 9 1 1 A 52 52 ILE C C 52 175.627 177.243 -1.616 1
1 671 . 9 1 1 A 52 52 ILE CA C 52 64.609 61.106 3.503 1
1 672 . 9 1 1 A 52 52 ILE CB C 52 39.272 39.754 -0.482 1
1 676 . 9 1 1 A 52 52 ILE N N 52 117.484 115.124 2.360 1
1 677 . 9 1 1 A 53 53 ASP H H 53 7.681 8.116 -0.435 1
1 678 . 9 1 1 A 53 53 ASP HA H 53 4.214 4.484 -0.270 1
1 681 . 9 1 1 A 53 53 ASP C C 53 174.027 178.137 -4.110 1
1 682 . 9 1 1 A 53 53 ASP CA C 53 59.799 56.761 3.038 1
1 683 . 9 1 1 A 53 53 ASP CB C 53 42.927 40.959 1.968 1
1 684 . 9 1 1 A 53 53 ASP N N 53 121.969 122.360 -0.391 1
1 685 . 9 1 1 A 54 54 ASP H H 54 8.227 8.358 -0.131 1
1 686 . 9 1 1 A 54 54 ASP HA H 54 4.231 4.269 -0.038 1
1 689 . 9 1 1 A 54 54 ASP C C 54 172.927 178.722 -5.795 1
1 690 . 9 1 1 A 54 54 ASP CA C 54 59.507 57.632 1.875 1
1 691 . 9 1 1 A 54 54 ASP CB C 54 41.818 41.497 0.321 1
1 692 . 9 1 1 A 54 54 ASP N N 54 118.083 119.085 -1.002 1
1 693 . 9 1 1 A 55 55 LEU H H 55 7.650 8.195 -0.545 1
1 694 . 9 1 1 A 55 55 LEU HA H 55 4.016 3.953 0.063 1
1 704 . 9 1 1 A 55 55 LEU C C 55 171.927 179.202 -7.275 1
1 705 . 9 1 1 A 55 55 LEU CA C 55 59.965 57.998 1.967 1
1 706 . 9 1 1 A 55 55 LEU CB C 55 43.370 41.210 2.160 1
1 710 . 9 1 1 A 55 55 LEU N N 55 121.634 120.006 1.628 1
1 711 . 9 1 1 A 56 56 MET H H 56 8.429 8.271 0.158 1
1 712 . 9 1 1 A 56 56 MET HA H 56 4.325 4.237 0.088 1
1 720 . 9 1 1 A 56 56 MET C C 56 172.527 178.968 -6.441 1
1 721 . 9 1 1 A 56 56 MET CA C 56 59.221 59.367 -0.146 1
1 722 . 9 1 1 A 56 56 MET CB C 56 34.106 32.821 1.285 1
1 725 . 9 1 1 A 56 56 MET N N 56 118.696 117.468 1.228 1
1 726 . 9 1 1 A 57 57 LYS H H 57 8.249 8.087 0.162 1
1 727 . 9 1 1 A 57 57 LYS HA H 57 3.996 4.279 -0.283 1
1 736 . 9 1 1 A 57 57 LYS C C 57 172.527 179.535 -7.008 1
1 737 . 9 1 1 A 57 57 LYS CA C 57 60.872 58.835 2.037 1
1 738 . 9 1 1 A 57 57 LYS CB C 57 33.853 32.145 1.708 1
1 742 . 9 1 1 A 57 57 LYS N N 57 119.855 119.334 0.521 1
1 743 . 9 1 1 A 58 58 SER H H 58 7.729 8.033 -0.304 1
1 744 . 9 1 1 A 58 58 SER HA H 58 4.125 4.313 -0.188 1
1 747 . 9 1 1 A 58 58 SER C C 58 176.527 176.691 -0.164 1
1 748 . 9 1 1 A 58 58 SER CA C 58 63.029 61.149 1.880 1
1 749 . 9 1 1 A 58 58 SER CB C 58 64.686 63.014 1.672 1
1 750 . 9 1 1 A 58 58 SER N N 58 115.984 115.569 0.415 1
1 751 . 9 1 1 A 59 59 LEU H H 59 7.288 7.863 -0.575 1
1 752 . 9 1 1 A 59 59 LEU HA H 59 4.058 4.216 -0.158 1
1 762 . 9 1 1 A 59 59 LEU C C 59 175.827 178.355 -2.528 1
1 763 . 9 1 1 A 59 59 LEU CA C 59 57.364 57.423 -0.059 1
1 764 . 9 1 1 A 59 59 LEU CB C 59 42.712 41.844 0.868 1
1 768 . 9 1 1 A 59 59 LEU N N 59 120.622 122.121 -1.499 1
1 769 . 9 1 1 A 60 60 ASP H H 60 7.431 8.342 -0.911 1
1 770 . 9 1 1 A 60 60 ASP HA H 60 4.386 4.559 -0.173 1
1 773 . 9 1 1 A 60 60 ASP C C 60 175.927 177.286 -1.359 1
1 774 . 9 1 1 A 60 60 ASP CA C 60 57.012 55.886 1.126 1
1 775 . 9 1 1 A 60 60 ASP CB C 60 42.351 40.763 1.588 1
1 776 . 9 1 1 A 60 60 ASP N N 60 116.755 119.079 -2.324 1
1 777 . 9 1 1 A 61 61 LYS H H 61 7.243 7.644 -0.401 1
1 778 . 9 1 1 A 61 61 LYS HA H 61 4.223 3.913 0.310 1
1 787 . 9 1 1 A 61 61 LYS C C 61 176.527 178.540 -2.013 1
1 788 . 9 1 1 A 61 61 LYS CA C 61 57.287 59.935 -2.648 1
1 789 . 9 1 1 A 61 61 LYS CB C 61 34.683 32.443 2.240 1
1 793 . 9 1 1 A 61 61 LYS N N 61 119.913 118.979 0.934 1
1 794 . 9 1 1 A 62 62 ASN H H 62 8.725 8.149 0.576 1
1 795 . 9 1 1 A 62 62 ASN HA H 62 4.462 4.793 -0.331 1
1 800 . 9 1 1 A 62 62 ASN C C 62 175.627 175.744 -0.117 1
1 801 . 9 1 1 A 62 62 ASN CA C 62 55.452 53.858 1.594 1
1 802 . 9 1 1 A 62 62 ASN CB C 62 39.336 39.859 -0.523 1
1 803 . 9 1 1 A 62 62 ASN N N 62 120.247 114.668 5.579 1
1 805 . 9 1 1 A 63 63 SER H H 63 8.061 8.433 -0.372 1
1 806 . 9 1 1 A 63 63 SER HA H 63 3.957 4.613 -0.656 1
1 809 . 9 1 1 A 63 63 SER C C 63 174.827 172.836 1.991 1
1 810 . 9 1 1 A 63 63 SER CA C 63 62.954 60.411 2.543 1
1 811 . 9 1 1 A 63 63 SER CB C 63 65.586 61.500 4.086 1
1 812 . 9 1 1 A 63 63 SER N N 63 113.249 114.229 -0.980 1
1 813 . 9 1 1 A 64 64 ASP H H 64 8.408 7.982 0.426 1
1 814 . 9 1 1 A 64 64 ASP HA H 64 4.573 4.899 -0.326 1
1 817 . 9 1 1 A 64 64 ASP C C 64 176.027 174.289 1.738 1
1 818 . 9 1 1 A 64 64 ASP CA C 64 55.789 53.418 2.371 1
1 819 . 9 1 1 A 64 64 ASP CB C 64 42.365 40.917 1.448 1
1 820 . 9 1 1 A 64 64 ASP N N 64 117.587 122.758 -5.171 1
1 821 . 9 1 1 A 65 65 GLN H H 65 7.779 8.386 -0.607 1
1 822 . 9 1 1 A 65 65 GLN HA H 65 4.026 4.981 -0.955 1
1 829 . 9 1 1 A 65 65 GLN C C 65 176.827 174.649 2.178 1
1 830 . 9 1 1 A 65 65 GLN CA C 65 58.241 54.207 4.034 1
1 831 . 9 1 1 A 65 65 GLN CB C 65 31.309 32.491 -1.182 1
1 833 . 9 1 1 A 65 65 GLN N N 65 121.059 118.579 2.480 1
1 835 . 9 1 1 A 66 66 GLU H H 66 8.365 8.510 -0.145 1
1 836 . 9 1 1 A 66 66 GLU HA H 66 4.320 4.739 -0.419 1
1 841 . 9 1 1 A 66 66 GLU C C 66 176.227 176.321 -0.094 1
1 842 . 9 1 1 A 66 66 GLU CA C 66 58.238 57.123 1.115 1
1 843 . 9 1 1 A 66 66 GLU CB C 66 32.567 30.688 1.879 1
1 845 . 9 1 1 A 66 66 GLU N N 66 123.061 121.163 1.898 1
1 846 . 9 1 1 A 67 67 ILE H H 67 9.350 8.781 0.569 1
1 847 . 9 1 1 A 67 67 ILE HA H 67 4.543 5.056 -0.513 1
1 857 . 9 1 1 A 67 67 ILE C C 67 178.127 175.135 2.992 1
1 858 . 9 1 1 A 67 67 ILE CA C 67 61.173 58.884 2.289 1
1 859 . 9 1 1 A 67 67 ILE CB C 67 41.460 41.962 -0.502 1
1 863 . 9 1 1 A 67 67 ILE N N 67 121.809 119.000 2.809 1
1 864 . 9 1 1 A 68 68 ASP H H 68 8.140 8.627 -0.487 1
1 865 . 9 1 1 A 68 68 ASP HA H 68 5.408 5.172 0.236 1
1 868 . 9 1 1 A 68 68 ASP C C 68 176.127 176.446 -0.319 1
1 869 . 9 1 1 A 68 68 ASP CA C 68 53.471 52.364 1.107 1
1 870 . 9 1 1 A 68 68 ASP CB C 68 43.898 41.988 1.910 1
1 871 . 9 1 1 A 68 68 ASP N N 68 122.626 122.542 0.084 1
1 872 . 9 1 1 A 69 69 PHE H H 69 9.486 9.024 0.462 1
1 873 . 9 1 1 A 69 69 PHE HA H 69 3.397 3.618 -0.221 1
1 880 . 9 1 1 A 69 69 PHE C C 69 174.727 177.572 -2.845 1
1 881 . 9 1 1 A 69 69 PHE CA C 69 63.764 60.888 2.876 1
1 882 . 9 1 1 A 69 69 PHE CB C 69 42.009 39.063 2.946 1
1 883 . 9 1 1 A 69 69 PHE N N 69 118.584 120.240 -1.656 1
1 884 . 9 1 1 A 70 70 LYS H H 70 7.510 8.383 -0.873 1
1 885 . 9 1 1 A 70 70 LYS HA H 70 3.633 3.847 -0.214 1
1 894 . 9 1 1 A 70 70 LYS C C 70 173.627 179.582 -5.955 1
1 895 . 9 1 1 A 70 70 LYS CA C 70 61.940 59.866 2.074 1
1 896 . 9 1 1 A 70 70 LYS CB C 70 33.189 32.115 1.074 1
1 900 . 9 1 1 A 70 70 LYS N N 70 117.327 119.364 -2.037 1
1 901 . 9 1 1 A 71 71 GLU H H 71 8.151 7.962 0.189 1
1 902 . 9 1 1 A 71 71 GLU HA H 71 3.930 4.172 -0.242 1
1 907 . 9 1 1 A 71 71 GLU C C 71 173.127 178.472 -5.345 1
1 908 . 9 1 1 A 71 71 GLU CA C 71 61.000 58.978 2.022 1
1 909 . 9 1 1 A 71 71 GLU CB C 71 31.639 29.532 2.107 1
1 911 . 9 1 1 A 71 71 GLU N N 71 120.925 119.410 1.515 1
1 912 . 9 1 1 A 72 72 TYR H H 72 8.454 8.258 0.196 1
1 913 . 9 1 1 A 72 72 TYR HA H 72 4.047 4.271 -0.224 1
1 920 . 9 1 1 A 72 72 TYR C C 72 177.227 177.929 -0.702 1
1 921 . 9 1 1 A 72 72 TYR CA C 72 62.068 61.211 0.857 1
1 922 . 9 1 1 A 72 72 TYR CB C 72 39.522 38.974 0.548 1
1 923 . 9 1 1 A 72 72 TYR N N 72 123.271 123.566 -0.295 1
1 924 . 9 1 1 A 73 73 SER H H 73 7.990 8.018 -0.028 1
1 925 . 9 1 1 A 73 73 SER HA H 73 3.245 3.928 -0.683 1
1 928 . 9 1 1 A 73 73 SER C C 73 174.327 176.353 -2.026 1
1 929 . 9 1 1 A 73 73 SER CA C 73 62.841 61.286 1.555 1
1 930 . 9 1 1 A 73 73 SER CB C 73 64.317 62.387 1.930 1
1 931 . 9 1 1 A 73 73 SER N N 73 115.432 114.481 0.951 1
1 932 . 9 1 1 A 74 74 VAL H H 74 8.112 8.031 0.081 1
1 933 . 9 1 1 A 74 74 VAL HA H 74 3.375 3.695 -0.320 1
1 941 . 9 1 1 A 74 74 VAL C C 74 174.427 177.944 -3.517 1
1 942 . 9 1 1 A 74 74 VAL CA C 74 68.677 65.503 3.174 1
1 943 . 9 1 1 A 74 74 VAL CB C 74 33.164 31.546 1.618 1
1 946 . 9 1 1 A 74 74 VAL N N 74 123.807 119.333 4.474 1
1 947 . 9 1 1 A 75 75 PHE H H 75 8.149 8.111 0.038 1
1 948 . 9 1 1 A 75 75 PHE HA H 75 3.878 4.085 -0.207 1
1 955 . 9 1 1 A 75 75 PHE C C 75 174.627 176.934 -2.307 1
1 956 . 9 1 1 A 75 75 PHE CA C 75 64.444 61.250 3.194 1
1 957 . 9 1 1 A 75 75 PHE CB C 75 40.823 39.328 1.495 1
1 958 . 9 1 1 A 75 75 PHE N N 75 122.351 123.939 -1.588 1
1 959 . 9 1 1 A 76 76 LEU H H 76 8.141 8.249 -0.108 1
1 960 . 9 1 1 A 76 76 LEU HA H 76 3.648 3.945 -0.297 1
1 970 . 9 1 1 A 76 76 LEU C C 76 173.327 179.133 -5.806 1
1 971 . 9 1 1 A 76 76 LEU CA C 76 59.810 57.999 1.811 1
1 972 . 9 1 1 A 76 76 LEU CB C 76 42.994 41.561 1.433 1
1 976 . 9 1 1 A 76 76 LEU N N 76 116.801 119.885 -3.084 1
1 977 . 9 1 1 A 77 77 THR H H 77 8.005 7.824 0.181 1
1 978 . 9 1 1 A 77 77 THR HA H 77 3.561 3.729 -0.168 1
1 984 . 9 1 1 A 77 77 THR C C 77 176.427 176.509 -0.082 1
1 985 . 9 1 1 A 77 77 THR CA C 77 69.876 66.873 3.003 1
1 986 . 9 1 1 A 77 77 THR CB C 77 71.163 68.456 2.707 1
1 988 . 9 1 1 A 77 77 THR N N 77 116.415 115.708 0.707 1
1 989 . 9 1 1 A 78 78 MET H H 78 8.059 8.203 -0.144 1
1 990 . 9 1 1 A 78 78 MET HA H 78 3.771 4.066 -0.295 1
1 995 . 9 1 1 A 78 78 MET C C 78 172.927 178.333 -5.406 1
1 996 . 9 1 1 A 78 78 MET CA C 78 60.751 58.473 2.278 1
1 997 . 9 1 1 A 78 78 MET CB C 78 33.255 31.853 1.402 1
1 999 . 9 1 1 A 78 78 MET N N 78 120.960 118.316 2.644 1
1 1000 . 9 1 1 A 79 79 LEU H H 79 8.007 8.049 -0.042 1
1 1001 . 9 1 1 A 79 79 LEU HA H 79 3.646 3.946 -0.300 1
1 1011 . 9 1 1 A 79 79 LEU C C 79 174.527 178.104 -3.577 1
1 1012 . 9 1 1 A 79 79 LEU CA C 79 59.756 58.156 1.600 1
1 1013 . 9 1 1 A 79 79 LEU CB C 79 42.961 41.592 1.369 1
1 1017 . 9 1 1 A 79 79 LEU N N 79 120.772 121.419 -0.647 1
1 1018 . 9 1 1 A 80 80 CYS H H 80 8.268 8.082 0.186 1
1 1019 . 9 1 1 A 80 80 CYS HA H 80 3.344 3.544 -0.200 1
1 1022 . 9 1 1 A 80 80 CYS C C 80 176.127 177.214 -1.087 1
1 1023 . 9 1 1 A 80 80 CYS CA C 80 64.083 62.535 1.548 1
1 1024 . 9 1 1 A 80 80 CYS CB C 80 28.199 26.595 1.604 1
1 1025 . 9 1 1 A 80 80 CYS N N 80 118.257 117.721 0.536 1
1 1026 . 9 1 1 A 81 81 MET H H 81 7.600 7.906 -0.306 1
1 1027 . 9 1 1 A 81 81 MET HA H 81 3.242 4.360 -1.118 1
1 1035 . 9 1 1 A 81 81 MET C C 81 176.227 176.951 -0.724 1
1 1036 . 9 1 1 A 81 81 MET CA C 81 60.091 56.238 3.853 1
1 1037 . 9 1 1 A 81 81 MET CB C 81 34.090 31.618 2.472 1
1 1040 . 9 1 1 A 81 81 MET N N 81 114.515 118.783 -4.268 1
1 1041 . 9 1 1 A 82 82 ALA H H 82 7.299 7.493 -0.194 1
1 1042 . 9 1 1 A 82 82 ALA HA H 82 4.121 4.248 -0.127 1
1 1046 . 9 1 1 A 82 82 ALA C C 82 173.827 177.495 -3.668 1
1 1047 . 9 1 1 A 82 82 ALA CA C 82 54.930 52.968 1.962 1
1 1048 . 9 1 1 A 82 82 ALA CB C 82 20.641 18.840 1.801 1
1 1049 . 9 1 1 A 82 82 ALA N N 82 118.977 120.957 -1.980 1
1 1050 . 9 1 1 A 83 83 TYR H H 83 7.623 7.509 0.114 1
1 1051 . 9 1 1 A 83 83 TYR HA H 83 4.771 4.723 0.048 1
1 1058 . 9 1 1 A 83 83 TYR CA C 83 59.333 57.364 1.969 1
1 1059 . 9 1 1 A 83 83 TYR CB C 83 41.599 40.679 0.920 1
1 1060 . 9 1 1 A 83 83 TYR N N 83 113.311 113.641 -0.330 1
1 1061 . 9 1 1 A 84 84 ASN HA H 84 4.534 4.583 -0.049 1
1 1064 . 9 1 1 A 84 84 ASN CA C 84 56.126 51.502 4.624 1
1 1065 . 9 1 1 A 84 84 ASN CB C 84 41.990 36.608 5.382 1
1 1066 . 9 1 1 A 85 85 ASP H H 85 8.681 8.091 0.590 1
1 1067 . 9 1 1 A 85 85 ASP HA H 85 4.086 4.550 -0.464 1
1 1070 . 9 1 1 A 85 85 ASP CA C 85 58.457 55.350 3.107 1
1 1071 . 9 1 1 A 85 85 ASP CB C 85 42.260 40.557 1.703 1
1 1072 . 9 1 1 A 85 85 ASP N N 85 126.079 125.288 0.791 1
1 1073 . 9 1 1 A 86 86 PHE H H 86 8.672 7.358 1.314 1
1 1074 . 9 1 1 A 86 86 PHE HA H 86 3.744 4.283 -0.539 1
1 1081 . 9 1 1 A 86 86 PHE C C 86 176.827 176.720 0.107 1
1 1082 . 9 1 1 A 86 86 PHE CA C 86 62.903 60.433 2.470 1
1 1083 . 9 1 1 A 86 86 PHE CB C 86 41.596 38.346 3.250 1
1 1084 . 9 1 1 A 86 86 PHE N N 86 121.950 117.642 4.308 1
1 1085 . 9 1 1 A 87 87 PHE H H 87 7.225 7.450 -0.225 1
1 1086 . 9 1 1 A 87 87 PHE HA H 87 3.836 4.747 -0.911 1
1 1093 . 9 1 1 A 87 87 PHE C C 87 176.927 175.124 1.803 1
1 1094 . 9 1 1 A 87 87 PHE CA C 87 60.422 57.647 2.775 1
1 1095 . 9 1 1 A 87 87 PHE CB C 87 41.081 39.254 1.827 1
1 1096 . 9 1 1 A 87 87 PHE N N 87 110.928 116.562 -5.634 1
1 1097 . 9 1 1 A 88 88 LEU H H 88 7.130 7.811 -0.681 1
1 1098 . 9 1 1 A 88 88 LEU HA H 88 4.169 4.661 -0.492 1
1 1108 . 9 1 1 A 88 88 LEU C C 88 175.027 177.659 -2.632 1
1 1109 . 9 1 1 A 88 88 LEU CA C 88 56.962 54.827 2.135 1
1 1110 . 9 1 1 A 88 88 LEU CB C 88 44.199 42.787 1.412 1
1 1114 . 9 1 1 A 88 88 LEU N N 88 119.732 119.987 -0.255 1
1 1115 . 9 1 1 A 89 89 GLU H H 89 8.097 7.995 0.102 1
1 1116 . 9 1 1 A 89 89 GLU HA H 89 4.087 4.536 -0.449 1
1 1121 . 9 1 1 A 89 89 GLU C C 89 176.427 175.799 0.628 1
1 1122 . 9 1 1 A 89 89 GLU CA C 89 58.216 55.718 2.498 1
1 1123 . 9 1 1 A 89 89 GLU CB C 89 32.309 31.938 0.371 1
1 1125 . 9 1 1 A 89 89 GLU N N 89 121.626 120.408 1.218 1
1 1126 . 9 1 1 A 90 90 ASP H H 90 8.243 8.232 0.011 1
1 1127 . 9 1 1 A 90 90 ASP HA H 90 4.425 4.218 0.207 1
1 1130 . 9 1 1 A 90 90 ASP C C 90 176.527 175.244 1.283 1
1 1131 . 9 1 1 A 90 90 ASP CA C 90 55.815 55.212 0.603 1
1 1132 . 9 1 1 A 90 90 ASP CB C 90 42.874 39.834 3.040 1
1 1133 . 9 1 1 A 90 90 ASP N N 90 121.280 119.372 1.908 1
1 1134 . 9 1 1 A 91 91 ASN H H 91 8.267 7.671 0.596 1
1 1135 . 9 1 1 A 91 91 ASN HA H 91 4.563 4.952 -0.389 1
1 1140 . 9 1 1 A 91 91 ASN C C 91 178.127 175.076 3.051 1
1 1141 . 9 1 1 A 91 91 ASN CA C 91 54.928 52.457 2.471 1
1 1142 . 9 1 1 A 91 91 ASN CB C 91 40.529 38.879 1.650 1
1 1143 . 9 1 1 A 91 91 ASN N N 91 119.209 115.868 3.341 1
1 14 . 10 1 1 A 2 2 GLU H H 2 8.722 8.254 0.468 1
1 15 . 10 1 1 A 2 2 GLU HA H 2 4.557 4.022 0.535 1
1 20 . 10 1 1 A 2 2 GLU C C 2 175.827 175.124 0.703 1
1 21 . 10 1 1 A 2 2 GLU CA C 2 58.063 57.522 0.541 1
1 22 . 10 1 1 A 2 2 GLU CB C 2 33.147 27.129 6.018 1
1 24 . 10 1 1 A 2 2 GLU N N 2 124.627 116.775 7.852 1
1 25 . 10 1 1 A 3 3 THR H H 3 8.670 7.536 1.134 1
1 26 . 10 1 1 A 3 3 THR HA H 3 4.616 4.621 -0.005 1
1 31 . 10 1 1 A 3 3 THR CA C 3 61.734 60.342 1.392 1
1 32 . 10 1 1 A 3 3 THR CB C 3 70.590 68.878 1.712 1
1 34 . 10 1 1 A 3 3 THR N N 3 116.274 111.668 4.606 1
1 35 . 10 1 1 A 4 4 PRO HA H 4 4.161 4.292 -0.131 1
1 42 . 10 1 1 A 4 4 PRO C C 4 172.227 178.076 -5.849 1
1 43 . 10 1 1 A 4 4 PRO CA C 4 68.211 65.801 2.410 1
1 44 . 10 1 1 A 4 4 PRO CB C 4 33.796 31.866 1.930 1
1 47 . 10 1 1 A 5 5 LEU H H 5 9.207 7.625 1.582 1
1 48 . 10 1 1 A 5 5 LEU HA H 5 4.038 4.067 -0.029 1
1 58 . 10 1 1 A 5 5 LEU C C 5 174.327 178.127 -3.800 1
1 59 . 10 1 1 A 5 5 LEU CA C 5 59.483 57.153 2.330 1
1 60 . 10 1 1 A 5 5 LEU CB C 5 43.877 41.786 2.091 1
1 64 . 10 1 1 A 5 5 LEU N N 5 119.157 116.856 2.301 1
1 65 . 10 1 1 A 6 6 GLU H H 6 7.661 8.316 -0.655 1
1 66 . 10 1 1 A 6 6 GLU HA H 6 3.755 3.894 -0.139 1
1 71 . 10 1 1 A 6 6 GLU C C 6 172.727 179.293 -6.566 1
1 72 . 10 1 1 A 6 6 GLU CA C 6 61.953 59.963 1.990 1
1 73 . 10 1 1 A 6 6 GLU CB C 6 31.354 29.081 2.273 1
1 75 . 10 1 1 A 6 6 GLU N N 6 119.837 119.315 0.522 1
1 76 . 10 1 1 A 7 7 LYS H H 7 8.430 7.863 0.567 1
1 77 . 10 1 1 A 7 7 LYS HA H 7 3.921 4.134 -0.213 1
1 86 . 10 1 1 A 7 7 LYS C C 7 172.927 179.062 -6.135 1
1 87 . 10 1 1 A 7 7 LYS CA C 7 61.312 58.683 2.629 1
1 88 . 10 1 1 A 7 7 LYS CB C 7 33.861 32.020 1.841 1
1 92 . 10 1 1 A 7 7 LYS N N 7 119.023 119.295 -0.272 1
1 93 . 10 1 1 A 8 8 ALA H H 8 8.079 8.007 0.072 1
1 94 . 10 1 1 A 8 8 ALA HA H 8 4.085 4.029 0.056 1
1 98 . 10 1 1 A 8 8 ALA C C 8 173.027 179.805 -6.778 1
1 99 . 10 1 1 A 8 8 ALA CA C 8 56.967 55.167 1.800 1
1 100 . 10 1 1 A 8 8 ALA CB C 8 20.140 18.791 1.349 1
1 101 . 10 1 1 A 8 8 ALA N N 8 123.824 122.671 1.153 1
1 102 . 10 1 1 A 9 9 LEU H H 9 8.032 8.443 -0.411 1
1 103 . 10 1 1 A 9 9 LEU HA H 9 4.061 3.975 0.086 1
1 113 . 10 1 1 A 9 9 LEU C C 9 172.527 179.295 -6.768 1
1 114 . 10 1 1 A 9 9 LEU CA C 9 60.071 58.071 2.000 1
1 115 . 10 1 1 A 9 9 LEU CB C 9 42.714 41.565 1.149 1
1 119 . 10 1 1 A 9 9 LEU N N 9 118.643 117.910 0.733 1
1 120 . 10 1 1 A 10 10 THR H H 10 8.686 8.414 0.272 1
1 121 . 10 1 1 A 10 10 THR HA H 10 3.798 3.938 -0.140 1
1 126 . 10 1 1 A 10 10 THR C C 10 175.127 176.771 -1.644 1
1 127 . 10 1 1 A 10 10 THR CA C 10 69.282 66.528 2.754 1
1 128 . 10 1 1 A 10 10 THR CB C 10 70.132 68.594 1.538 1
1 130 . 10 1 1 A 10 10 THR N N 10 117.087 115.832 1.255 1
1 131 . 10 1 1 A 11 11 THR H H 11 8.628 7.873 0.755 1
1 132 . 10 1 1 A 11 11 THR HA H 11 3.961 3.914 0.047 1
1 137 . 10 1 1 A 11 11 THR C C 11 174.427 176.826 -2.399 1
1 138 . 10 1 1 A 11 11 THR CA C 11 68.408 66.645 1.763 1
1 139 . 10 1 1 A 11 11 THR CB C 11 69.107 68.148 0.959 1
1 141 . 10 1 1 A 11 11 THR N N 11 120.770 117.037 3.733 1
1 142 . 10 1 1 A 12 12 MET H H 12 8.390 8.578 -0.188 1
1 143 . 10 1 1 A 12 12 MET HA H 12 3.956 4.281 -0.325 1
1 151 . 10 1 1 A 12 12 MET C C 12 175.127 178.430 -3.303 1
1 152 . 10 1 1 A 12 12 MET CA C 12 62.750 58.043 4.707 1
1 153 . 10 1 1 A 12 12 MET CB C 12 34.952 32.438 2.514 1
1 156 . 10 1 1 A 12 12 MET N N 12 124.388 119.087 5.301 1
1 157 . 10 1 1 A 13 13 VAL H H 13 8.104 8.666 -0.562 1
1 158 . 10 1 1 A 13 13 VAL HA H 13 3.576 3.967 -0.391 1
1 166 . 10 1 1 A 13 13 VAL C C 13 175.327 177.828 -2.501 1
1 167 . 10 1 1 A 13 13 VAL CA C 13 68.958 65.720 3.238 1
1 168 . 10 1 1 A 13 13 VAL CB C 13 33.703 31.386 2.317 1
1 171 . 10 1 1 A 13 13 VAL N N 13 121.753 117.010 4.743 1
1 172 . 10 1 1 A 14 14 THR H H 14 9.186 8.198 0.988 1
1 173 . 10 1 1 A 14 14 THR HA H 14 3.774 4.001 -0.227 1
1 178 . 10 1 1 A 14 14 THR C C 14 173.927 176.785 -2.858 1
1 179 . 10 1 1 A 14 14 THR CA C 14 67.955 66.033 1.922 1
1 180 . 10 1 1 A 14 14 THR CB C 14 70.504 68.786 1.718 1
1 182 . 10 1 1 A 14 14 THR N N 14 114.911 116.189 -1.278 1
1 183 . 10 1 1 A 15 15 THR H H 15 8.453 8.158 0.295 1
1 184 . 10 1 1 A 15 15 THR HA H 15 3.859 4.190 -0.331 1
1 190 . 10 1 1 A 15 15 THR C C 15 178.127 176.727 1.400 1
1 191 . 10 1 1 A 15 15 THR CA C 15 69.609 65.949 3.660 1
1 192 . 10 1 1 A 15 15 THR CB C 15 70.511 68.106 2.405 1
1 194 . 10 1 1 A 15 15 THR N N 15 118.791 112.201 6.590 1
1 195 . 10 1 1 A 16 16 PHE H H 16 7.207 8.207 -1.000 1
1 196 . 10 1 1 A 16 16 PHE HA H 16 3.572 4.082 -0.510 1
1 203 . 10 1 1 A 16 16 PHE C C 16 178.527 177.536 0.991 1
1 204 . 10 1 1 A 16 16 PHE CA C 16 64.090 60.985 3.105 1
1 205 . 10 1 1 A 16 16 PHE CB C 16 41.091 38.506 2.585 1
1 206 . 10 1 1 A 16 16 PHE N N 16 121.331 123.861 -2.530 1
1 207 . 10 1 1 A 17 17 HIS H H 17 8.393 8.497 -0.104 1
1 208 . 10 1 1 A 17 17 HIS HA H 17 5.329 4.532 0.797 1
1 211 . 10 1 1 A 17 17 HIS C C 17 174.627 177.518 -2.891 1
1 212 . 10 1 1 A 17 17 HIS CA C 17 56.667 59.978 -3.311 1
1 213 . 10 1 1 A 17 17 HIS CB C 17 32.397 29.665 2.732 1
1 214 . 10 1 1 A 17 17 HIS N N 17 117.858 117.305 0.553 1
1 215 . 10 1 1 A 18 18 LYS H H 18 7.767 7.876 -0.109 1
1 216 . 10 1 1 A 18 18 LYS HA H 18 3.553 3.971 -0.418 1
1 225 . 10 1 1 A 18 18 LYS C C 18 175.527 177.486 -1.959 1
1 226 . 10 1 1 A 18 18 LYS CA C 18 61.301 58.934 2.367 1
1 227 . 10 1 1 A 18 18 LYS CB C 18 33.523 32.057 1.466 1
1 231 . 10 1 1 A 18 18 LYS N N 18 120.691 119.677 1.014 1
1 232 . 10 1 1 A 19 19 TYR H H 19 7.079 7.983 -0.904 1
1 233 . 10 1 1 A 19 19 TYR HA H 19 3.993 4.645 -0.652 1
1 240 . 10 1 1 A 19 19 TYR C C 19 174.227 175.911 -1.684 1
1 241 . 10 1 1 A 19 19 TYR CA C 19 61.287 57.356 3.931 1
1 242 . 10 1 1 A 19 19 TYR CB C 19 42.066 38.532 3.534 1
1 243 . 10 1 1 A 19 19 TYR N N 19 114.592 117.327 -2.735 1
1 244 . 10 1 1 A 20 20 SER H H 20 9.708 7.746 1.962 1
1 245 . 10 1 1 A 20 20 SER HA H 20 4.117 4.641 -0.524 1
1 248 . 10 1 1 A 20 20 SER C C 20 175.227 175.939 -0.712 1
1 249 . 10 1 1 A 20 20 SER CA C 20 60.135 58.808 1.327 1
1 250 . 10 1 1 A 20 20 SER CB C 20 63.159 64.140 -0.981 1
1 251 . 10 1 1 A 20 20 SER N N 20 121.764 112.266 9.498 1
1 252 . 10 1 1 A 21 21 GLY H H 21 8.146 8.797 -0.651 1
1 253 . 10 1 1 A 21 21 GLY HA2 H 21 3.956 3.971 -0.015 1
1 254 . 10 1 1 A 21 21 GLY HA3 H 21 3.571 4.193 -0.622 1
1 255 . 10 1 1 A 21 21 GLY C C 21 177.927 176.331 1.596 1
1 256 . 10 1 1 A 21 21 GLY CA C 21 46.646 46.819 -0.173 1
1 257 . 10 1 1 A 21 21 GLY N N 21 106.982 110.405 -3.423 1
1 258 . 10 1 1 A 22 22 ARG H H 22 7.007 8.504 -1.497 1
1 259 . 10 1 1 A 22 22 ARG HA H 22 3.815 4.019 -0.204 1
1 266 . 10 1 1 A 22 22 ARG C C 22 175.927 176.855 -0.928 1
1 267 . 10 1 1 A 22 22 ARG CA C 22 60.766 58.874 1.892 1
1 268 . 10 1 1 A 22 22 ARG CB C 22 32.302 30.039 2.263 1
1 271 . 10 1 1 A 22 22 ARG N N 22 118.055 118.678 -0.623 1
1 272 . 10 1 1 A 23 23 GLU H H 23 7.551 7.939 -0.388 1
1 273 . 10 1 1 A 23 23 GLU HA H 23 4.436 4.644 -0.208 1
1 278 . 10 1 1 A 23 23 GLU C C 23 177.727 176.597 1.130 1
1 279 . 10 1 1 A 23 23 GLU CA C 23 56.853 55.618 1.235 1
1 280 . 10 1 1 A 23 23 GLU CB C 23 33.988 31.096 2.892 1
1 282 . 10 1 1 A 23 23 GLU N N 23 114.631 118.176 -3.545 1
1 283 . 10 1 1 A 24 24 GLY H H 24 8.376 8.380 -0.004 1
1 284 . 10 1 1 A 24 24 GLY HA2 H 24 3.771 3.980 -0.209 1
1 285 . 10 1 1 A 24 24 GLY HA3 H 24 3.567 4.194 -0.627 1
1 286 . 10 1 1 A 24 24 GLY C C 24 177.127 173.882 3.245 1
1 287 . 10 1 1 A 24 24 GLY CA C 24 47.718 45.459 2.259 1
1 288 . 10 1 1 A 24 24 GLY N N 24 107.626 110.609 -2.983 1
1 289 . 10 1 1 A 25 25 SER H H 25 8.443 7.781 0.662 1
1 290 . 10 1 1 A 25 25 SER HA H 25 4.314 4.912 -0.598 1
1 293 . 10 1 1 A 25 25 SER C C 25 175.527 173.182 2.345 1
1 294 . 10 1 1 A 25 25 SER CA C 25 59.146 56.153 2.993 1
1 295 . 10 1 1 A 25 25 SER CB C 25 65.573 65.801 -0.228 1
1 296 . 10 1 1 A 25 25 SER N N 25 119.000 115.498 3.502 1
1 297 . 10 1 1 A 26 26 LYS H H 26 8.821 9.149 -0.328 1
1 298 . 10 1 1 A 26 26 LYS HA H 26 4.307 4.640 -0.333 1
1 307 . 10 1 1 A 26 26 LYS C C 26 176.027 177.701 -1.674 1
1 308 . 10 1 1 A 26 26 LYS CA C 26 59.180 56.313 2.867 1
1 309 . 10 1 1 A 26 26 LYS CB C 26 33.211 34.651 -1.440 1
1 313 . 10 1 1 A 26 26 LYS N N 26 126.125 123.657 2.468 1
1 314 . 10 1 1 A 27 27 LEU H H 27 8.237 7.879 0.358 1
1 315 . 10 1 1 A 27 27 LEU HA H 27 4.534 4.720 -0.186 1
1 325 . 10 1 1 A 27 27 LEU C C 27 175.627 176.817 -1.190 1
1 326 . 10 1 1 A 27 27 LEU CA C 27 56.384 55.599 0.785 1
1 327 . 10 1 1 A 27 27 LEU CB C 27 44.218 43.347 0.871 1
1 331 . 10 1 1 A 27 27 LEU N N 27 117.484 117.250 0.234 1
1 332 . 10 1 1 A 28 28 THR H H 28 7.386 7.838 -0.452 1
1 333 . 10 1 1 A 28 28 THR HA H 28 5.517 5.674 -0.157 1
1 338 . 10 1 1 A 28 28 THR C C 28 180.227 172.581 7.646 1
1 339 . 10 1 1 A 28 28 THR CA C 28 61.014 60.234 0.780 1
1 340 . 10 1 1 A 28 28 THR CB C 28 75.348 72.917 2.431 1
1 342 . 10 1 1 A 28 28 THR N N 28 106.230 107.720 -1.490 1
1 343 . 10 1 1 A 29 29 LEU H H 29 8.721 8.711 0.010 1
1 344 . 10 1 1 A 29 29 LEU HA H 29 4.713 4.774 -0.061 1
1 354 . 10 1 1 A 29 29 LEU C C 29 176.927 175.639 1.288 1
1 355 . 10 1 1 A 29 29 LEU CA C 29 55.163 53.755 1.408 1
1 356 . 10 1 1 A 29 29 LEU CB C 29 46.059 44.404 1.655 1
1 360 . 10 1 1 A 29 29 LEU N N 29 116.728 118.150 -1.422 1
1 361 . 10 1 1 A 30 30 SER H H 30 8.866 8.734 0.132 1
1 362 . 10 1 1 A 30 30 SER HA H 30 4.942 4.882 0.060 1
1 365 . 10 1 1 A 30 30 SER C C 30 176.327 176.103 0.224 1
1 366 . 10 1 1 A 30 30 SER CA C 30 59.032 57.008 2.024 1
1 367 . 10 1 1 A 30 30 SER CB C 30 67.150 65.552 1.598 1
1 368 . 10 1 1 A 30 30 SER N N 30 117.110 115.328 1.782 1
1 369 . 10 1 1 A 31 31 ARG H H 31 8.393 8.790 -0.397 1
1 370 . 10 1 1 A 31 31 ARG HA H 31 3.695 3.906 -0.211 1
1 377 . 10 1 1 A 31 31 ARG C C 31 174.127 178.115 -3.988 1
1 378 . 10 1 1 A 31 31 ARG CA C 31 62.776 60.154 2.622 1
1 379 . 10 1 1 A 31 31 ARG CB C 31 31.601 29.680 1.921 1
1 382 . 10 1 1 A 31 31 ARG N N 31 121.109 120.656 0.453 1
1 383 . 10 1 1 A 32 32 LYS H H 32 8.264 7.807 0.457 1
1 384 . 10 1 1 A 32 32 LYS HA H 32 3.912 4.029 -0.117 1
1 393 . 10 1 1 A 32 32 LYS C C 32 172.827 178.900 -6.073 1
1 394 . 10 1 1 A 32 32 LYS CA C 32 61.591 59.784 1.807 1
1 395 . 10 1 1 A 32 32 LYS CB C 32 34.116 32.354 1.762 1
1 399 . 10 1 1 A 32 32 LYS N N 32 118.536 119.825 -1.289 1
1 400 . 10 1 1 A 33 33 GLU H H 33 7.790 7.629 0.161 1
1 401 . 10 1 1 A 33 33 GLU HA H 33 4.049 4.042 0.007 1
1 406 . 10 1 1 A 33 33 GLU C C 33 174.327 178.464 -4.137 1
1 407 . 10 1 1 A 33 33 GLU CA C 33 60.634 59.022 1.612 1
1 408 . 10 1 1 A 33 33 GLU CB C 33 31.617 29.510 2.107 1
1 410 . 10 1 1 A 33 33 GLU N N 33 121.557 119.924 1.633 1
1 411 . 10 1 1 A 34 34 LEU H H 34 8.388 8.000 0.388 1
1 412 . 10 1 1 A 34 34 LEU HA H 34 3.844 3.809 0.035 1
1 422 . 10 1 1 A 34 34 LEU C C 34 174.927 178.358 -3.431 1
1 423 . 10 1 1 A 34 34 LEU CA C 34 59.173 57.920 1.253 1
1 424 . 10 1 1 A 34 34 LEU CB C 34 42.053 41.677 0.376 1
1 428 . 10 1 1 A 34 34 LEU N N 34 120.999 120.972 0.027 1
1 429 . 10 1 1 A 35 35 LYS H H 35 7.817 7.672 0.145 1
1 430 . 10 1 1 A 35 35 LYS HA H 35 3.478 3.754 -0.276 1
1 439 . 10 1 1 A 35 35 LYS C C 35 174.627 178.208 -3.581 1
1 440 . 10 1 1 A 35 35 LYS CA C 35 62.312 59.516 2.796 1
1 441 . 10 1 1 A 35 35 LYS CB C 35 33.814 32.114 1.700 1
1 445 . 10 1 1 A 35 35 LYS N N 35 118.738 118.650 0.088 1
1 446 . 10 1 1 A 36 36 GLU H H 36 7.208 7.880 -0.672 1
1 447 . 10 1 1 A 36 36 GLU HA H 36 3.801 4.159 -0.358 1
1 452 . 10 1 1 A 36 36 GLU C C 36 175.227 178.618 -3.391 1
1 453 . 10 1 1 A 36 36 GLU CA C 36 61.015 58.786 2.229 1
1 454 . 10 1 1 A 36 36 GLU CB C 36 30.770 29.427 1.343 1
1 456 . 10 1 1 A 36 36 GLU N N 36 118.771 118.718 0.053 1
1 457 . 10 1 1 A 37 37 LEU H H 37 8.038 7.973 0.065 1
1 458 . 10 1 1 A 37 37 LEU HA H 37 3.178 3.586 -0.408 1
1 468 . 10 1 1 A 37 37 LEU C C 37 172.927 178.584 -5.657 1
1 469 . 10 1 1 A 37 37 LEU CA C 37 60.915 57.666 3.249 1
1 470 . 10 1 1 A 37 37 LEU CB C 37 43.352 40.911 2.441 1
1 474 . 10 1 1 A 37 37 LEU N N 37 121.767 120.808 0.959 1
1 475 . 10 1 1 A 38 38 ILE H H 38 8.224 7.788 0.436 1
1 476 . 10 1 1 A 38 38 ILE HA H 38 3.234 3.982 -0.748 1
1 486 . 10 1 1 A 38 38 ILE C C 38 174.727 176.640 -1.913 1
1 487 . 10 1 1 A 38 38 ILE CA C 38 66.464 63.573 2.891 1
1 488 . 10 1 1 A 38 38 ILE CB C 38 38.799 37.787 1.012 1
1 492 . 10 1 1 A 38 38 ILE N N 38 119.417 119.283 0.134 1
1 493 . 10 1 1 A 39 39 LYS H H 39 7.700 7.829 -0.129 1
1 494 . 10 1 1 A 39 39 LYS HA H 39 3.894 4.546 -0.652 1
1 503 . 10 1 1 A 39 39 LYS C C 39 173.727 177.014 -3.287 1
1 504 . 10 1 1 A 39 39 LYS CA C 39 61.015 55.565 5.450 1
1 505 . 10 1 1 A 39 39 LYS CB C 39 34.100 32.548 1.552 1
1 509 . 10 1 1 A 39 39 LYS N N 39 117.277 119.932 -2.655 1
1 510 . 10 1 1 A 40 40 LYS H H 40 8.170 7.660 0.510 1
1 511 . 10 1 1 A 40 40 LYS HA H 40 4.226 4.334 -0.108 1
1 520 . 10 1 1 A 40 40 LYS C C 40 173.427 178.070 -4.643 1
1 521 . 10 1 1 A 40 40 LYS CA C 40 59.251 57.536 1.715 1
1 522 . 10 1 1 A 40 40 LYS CB C 40 35.528 33.939 1.589 1
1 526 . 10 1 1 A 40 40 LYS N N 40 115.146 118.547 -3.401 1
1 527 . 10 1 1 A 41 41 GLU H H 41 8.778 8.447 0.331 1
1 528 . 10 1 1 A 41 41 GLU HA H 41 4.629 4.583 0.046 1
1 533 . 10 1 1 A 41 41 GLU C C 41 175.527 176.153 -0.626 1
1 534 . 10 1 1 A 41 41 GLU CA C 41 57.177 55.895 1.282 1
1 535 . 10 1 1 A 41 41 GLU CB C 41 31.656 31.540 0.116 1
1 537 . 10 1 1 A 41 41 GLU N N 41 113.604 115.862 -2.258 1
1 538 . 10 1 1 A 42 42 LEU H H 42 7.610 7.000 0.610 1
1 539 . 10 1 1 A 42 42 LEU HA H 42 4.475 4.440 0.035 1
1 549 . 10 1 1 A 42 42 LEU C C 42 177.227 177.303 -0.076 1
1 550 . 10 1 1 A 42 42 LEU CA C 42 56.047 54.359 1.688 1
1 551 . 10 1 1 A 42 42 LEU CB C 42 45.748 42.798 2.950 1
1 555 . 10 1 1 A 42 42 LEU N N 42 118.997 121.576 -2.579 1
1 556 . 10 1 1 A 43 43 CYS H H 43 8.501 9.069 -0.568 1
1 557 . 10 1 1 A 43 43 CYS HA H 43 4.397 4.278 0.119 1
1 560 . 10 1 1 A 43 43 CYS C C 43 177.327 174.883 2.444 1
1 561 . 10 1 1 A 43 43 CYS CA C 43 60.023 61.700 -1.677 1
1 562 . 10 1 1 A 43 43 CYS CB C 43 27.915 28.213 -0.298 1
1 563 . 10 1 1 A 43 43 CYS N N 43 119.622 121.328 -1.706 1
1 564 . 10 1 1 A 44 44 LEU H H 44 8.200 7.950 0.250 1
1 565 . 10 1 1 A 44 44 LEU HA H 44 3.979 3.879 0.100 1
1 575 . 10 1 1 A 44 44 LEU C C 44 173.927 176.742 -2.815 1
1 576 . 10 1 1 A 44 44 LEU CA C 44 57.244 56.515 0.729 1
1 577 . 10 1 1 A 44 44 LEU CB C 44 43.622 41.602 2.020 1
1 581 . 10 1 1 A 44 44 LEU N N 44 121.955 121.329 0.626 1
1 582 . 10 1 1 A 45 45 GLY H H 45 8.244 7.808 0.436 1
1 583 . 10 1 1 A 45 45 GLY HA2 H 45 3.849 4.003 -0.154 1
1 584 . 10 1 1 A 45 45 GLY HA3 H 45 3.789 4.228 -0.439 1
1 585 . 10 1 1 A 45 45 GLY C C 45 178.027 175.201 2.826 1
1 586 . 10 1 1 A 45 45 GLY CA C 45 47.023 44.496 2.527 1
1 587 . 10 1 1 A 45 45 GLY N N 45 107.702 108.428 -0.726 1
1 588 . 10 1 1 A 46 46 GLU H H 46 8.286 8.780 -0.494 1
1 589 . 10 1 1 A 46 46 GLU HA H 46 4.039 4.085 -0.046 1
1 594 . 10 1 1 A 46 46 GLU C C 46 175.127 174.674 0.453 1
1 595 . 10 1 1 A 46 46 GLU CA C 46 59.176 57.519 1.657 1
1 596 . 10 1 1 A 46 46 GLU CB C 46 31.361 27.436 3.925 1
1 598 . 10 1 1 A 46 46 GLU N N 46 119.602 119.977 -0.375 1
1 599 . 10 1 1 A 47 47 MET H H 47 8.048 7.698 0.350 1
1 600 . 10 1 1 A 47 47 MET HA H 47 4.229 4.544 -0.315 1
1 608 . 10 1 1 A 47 47 MET C C 47 175.727 174.146 1.581 1
1 609 . 10 1 1 A 47 47 MET CA C 47 58.183 53.922 4.261 1
1 610 . 10 1 1 A 47 47 MET CB C 47 34.087 34.637 -0.550 1
1 613 . 10 1 1 A 47 47 MET N N 47 119.617 119.263 0.354 1
1 614 . 10 1 1 A 48 48 LYS H H 48 8.221 8.450 -0.229 1
1 615 . 10 1 1 A 48 48 LYS HA H 48 4.217 4.359 -0.142 1
1 624 . 10 1 1 A 48 48 LYS C C 48 174.927 176.142 -1.215 1
1 625 . 10 1 1 A 48 48 LYS CA C 48 58.304 55.257 3.047 1
1 626 . 10 1 1 A 48 48 LYS CB C 48 34.548 30.492 4.056 1
1 630 . 10 1 1 A 48 48 LYS N N 48 120.987 121.520 -0.533 1
1 631 . 10 1 1 A 49 49 GLU H H 49 8.346 8.275 0.071 1
1 632 . 10 1 1 A 49 49 GLU HA H 49 3.922 4.203 -0.281 1
1 637 . 10 1 1 A 49 49 GLU C C 49 174.427 177.585 -3.158 1
1 638 . 10 1 1 A 49 49 GLU CA C 49 60.298 58.766 1.532 1
1 639 . 10 1 1 A 49 49 GLU CB C 49 31.065 30.242 0.823 1
1 641 . 10 1 1 A 49 49 GLU N N 49 121.867 123.491 -1.624 1
1 642 . 10 1 1 A 50 50 SER H H 50 8.348 7.780 0.568 1
1 643 . 10 1 1 A 50 50 SER HA H 50 4.172 4.360 -0.188 1
1 647 . 10 1 1 A 50 50 SER C C 50 176.027 175.175 0.852 1
1 648 . 10 1 1 A 50 50 SER CA C 50 62.548 60.245 2.303 1
1 649 . 10 1 1 A 50 50 SER CB C 50 64.840 63.022 1.818 1
1 650 . 10 1 1 A 50 50 SER N N 50 115.695 116.405 -0.710 1
1 651 . 10 1 1 A 51 51 SER H H 51 7.980 8.823 -0.843 1
1 652 . 10 1 1 A 51 51 SER HA H 51 4.258 4.066 0.192 1
1 655 . 10 1 1 A 51 51 SER C C 51 174.427 175.136 -0.709 1
1 656 . 10 1 1 A 51 51 SER CA C 51 62.828 61.163 1.665 1
1 657 . 10 1 1 A 51 51 SER CB C 51 64.749 60.964 3.785 1
1 658 . 10 1 1 A 51 51 SER N N 51 117.126 114.944 2.182 1
1 659 . 10 1 1 A 52 52 ILE H H 52 7.365 8.159 -0.794 1
1 660 . 10 1 1 A 52 52 ILE HA H 52 4.038 3.888 0.150 1
1 670 . 10 1 1 A 52 52 ILE C C 52 175.627 177.793 -2.166 1
1 671 . 10 1 1 A 52 52 ILE CA C 52 64.609 64.395 0.214 1
1 672 . 10 1 1 A 52 52 ILE CB C 52 39.272 37.282 1.990 1
1 676 . 10 1 1 A 52 52 ILE N N 52 117.484 120.087 -2.603 1
1 677 . 10 1 1 A 53 53 ASP H H 53 7.681 8.023 -0.342 1
1 678 . 10 1 1 A 53 53 ASP HA H 53 4.214 4.424 -0.210 1
1 681 . 10 1 1 A 53 53 ASP C C 53 174.027 178.002 -3.975 1
1 682 . 10 1 1 A 53 53 ASP CA C 53 59.799 57.015 2.784 1
1 683 . 10 1 1 A 53 53 ASP CB C 53 42.927 41.130 1.797 1
1 684 . 10 1 1 A 53 53 ASP N N 53 121.969 121.037 0.932 1
1 685 . 10 1 1 A 54 54 ASP H H 54 8.227 7.949 0.278 1
1 686 . 10 1 1 A 54 54 ASP HA H 54 4.231 4.379 -0.148 1
1 689 . 10 1 1 A 54 54 ASP C C 54 172.927 178.742 -5.815 1
1 690 . 10 1 1 A 54 54 ASP CA C 54 59.507 57.307 2.200 1
1 691 . 10 1 1 A 54 54 ASP CB C 54 41.818 41.084 0.734 1
1 692 . 10 1 1 A 54 54 ASP N N 54 118.083 119.827 -1.744 1
1 693 . 10 1 1 A 55 55 LEU H H 55 7.650 8.268 -0.618 1
1 694 . 10 1 1 A 55 55 LEU HA H 55 4.016 4.090 -0.074 1
1 704 . 10 1 1 A 55 55 LEU C C 55 171.927 179.275 -7.348 1
1 705 . 10 1 1 A 55 55 LEU CA C 55 59.965 58.089 1.876 1
1 706 . 10 1 1 A 55 55 LEU CB C 55 43.370 41.611 1.759 1
1 710 . 10 1 1 A 55 55 LEU N N 55 121.634 120.096 1.538 1
1 711 . 10 1 1 A 56 56 MET H H 56 8.429 8.342 0.087 1
1 712 . 10 1 1 A 56 56 MET HA H 56 4.325 4.274 0.051 1
1 720 . 10 1 1 A 56 56 MET C C 56 172.527 179.096 -6.569 1
1 721 . 10 1 1 A 56 56 MET CA C 56 59.221 59.019 0.202 1
1 722 . 10 1 1 A 56 56 MET CB C 56 34.106 32.356 1.750 1
1 725 . 10 1 1 A 56 56 MET N N 56 118.696 116.960 1.736 1
1 726 . 10 1 1 A 57 57 LYS H H 57 8.249 8.123 0.126 1
1 727 . 10 1 1 A 57 57 LYS HA H 57 3.996 4.169 -0.173 1
1 736 . 10 1 1 A 57 57 LYS C C 57 172.527 179.369 -6.842 1
1 737 . 10 1 1 A 57 57 LYS CA C 57 60.872 59.033 1.839 1
1 738 . 10 1 1 A 57 57 LYS CB C 57 33.853 32.067 1.786 1
1 742 . 10 1 1 A 57 57 LYS N N 57 119.855 119.057 0.798 1
1 743 . 10 1 1 A 58 58 SER H H 58 7.729 8.562 -0.833 1
1 744 . 10 1 1 A 58 58 SER HA H 58 4.125 4.334 -0.209 1
1 747 . 10 1 1 A 58 58 SER C C 58 176.527 176.586 -0.059 1
1 748 . 10 1 1 A 58 58 SER CA C 58 63.029 61.878 1.151 1
1 749 . 10 1 1 A 58 58 SER CB C 58 64.686 63.238 1.448 1
1 750 . 10 1 1 A 58 58 SER N N 58 115.984 117.215 -1.231 1
1 751 . 10 1 1 A 59 59 LEU H H 59 7.288 8.070 -0.782 1
1 752 . 10 1 1 A 59 59 LEU HA H 59 4.058 4.028 0.030 1
1 762 . 10 1 1 A 59 59 LEU C C 59 175.827 178.234 -2.407 1
1 763 . 10 1 1 A 59 59 LEU CA C 59 57.364 58.039 -0.675 1
1 764 . 10 1 1 A 59 59 LEU CB C 59 42.712 41.643 1.069 1
1 768 . 10 1 1 A 59 59 LEU N N 59 120.622 122.342 -1.720 1
1 769 . 10 1 1 A 60 60 ASP H H 60 7.431 8.355 -0.924 1
1 770 . 10 1 1 A 60 60 ASP HA H 60 4.386 4.467 -0.081 1
1 773 . 10 1 1 A 60 60 ASP C C 60 175.927 178.280 -2.353 1
1 774 . 10 1 1 A 60 60 ASP CA C 60 57.012 56.499 0.513 1
1 775 . 10 1 1 A 60 60 ASP CB C 60 42.351 41.468 0.883 1
1 776 . 10 1 1 A 60 60 ASP N N 60 116.755 118.593 -1.838 1
1 777 . 10 1 1 A 61 61 LYS H H 61 7.243 7.741 -0.498 1
1 778 . 10 1 1 A 61 61 LYS HA H 61 4.223 4.020 0.203 1
1 787 . 10 1 1 A 61 61 LYS C C 61 176.527 177.785 -1.258 1
1 788 . 10 1 1 A 61 61 LYS CA C 61 57.287 59.105 -1.818 1
1 789 . 10 1 1 A 61 61 LYS CB C 61 34.683 32.681 2.002 1
1 793 . 10 1 1 A 61 61 LYS N N 61 119.913 118.598 1.315 1
1 794 . 10 1 1 A 62 62 ASN H H 62 8.725 7.915 0.810 1
1 795 . 10 1 1 A 62 62 ASN HA H 62 4.462 4.945 -0.483 1
1 800 . 10 1 1 A 62 62 ASN C C 62 175.627 175.674 -0.047 1
1 801 . 10 1 1 A 62 62 ASN CA C 62 55.452 52.463 2.989 1
1 802 . 10 1 1 A 62 62 ASN CB C 62 39.336 40.144 -0.808 1
1 803 . 10 1 1 A 62 62 ASN N N 62 120.247 116.032 4.215 1
1 805 . 10 1 1 A 63 63 SER H H 63 8.061 7.873 0.188 1
1 806 . 10 1 1 A 63 63 SER HA H 63 3.957 4.076 -0.119 1
1 809 . 10 1 1 A 63 63 SER C C 63 174.827 174.078 0.749 1
1 810 . 10 1 1 A 63 63 SER CA C 63 62.954 61.199 1.755 1
1 811 . 10 1 1 A 63 63 SER CB C 63 65.586 61.034 4.552 1
1 812 . 10 1 1 A 63 63 SER N N 63 113.249 112.436 0.813 1
1 813 . 10 1 1 A 64 64 ASP H H 64 8.408 8.206 0.202 1
1 814 . 10 1 1 A 64 64 ASP HA H 64 4.573 4.797 -0.224 1
1 817 . 10 1 1 A 64 64 ASP C C 64 176.027 175.279 0.748 1
1 818 . 10 1 1 A 64 64 ASP CA C 64 55.789 53.633 2.156 1
1 819 . 10 1 1 A 64 64 ASP CB C 64 42.365 42.099 0.266 1
1 820 . 10 1 1 A 64 64 ASP N N 64 117.587 118.330 -0.743 1
1 821 . 10 1 1 A 65 65 GLN H H 65 7.779 7.458 0.321 1
1 822 . 10 1 1 A 65 65 GLN HA H 65 4.026 4.486 -0.460 1
1 829 . 10 1 1 A 65 65 GLN C C 65 176.827 175.755 1.072 1
1 830 . 10 1 1 A 65 65 GLN CA C 65 58.241 55.254 2.987 1
1 831 . 10 1 1 A 65 65 GLN CB C 65 31.309 29.779 1.530 1
1 833 . 10 1 1 A 65 65 GLN N N 65 121.059 119.146 1.913 1
1 835 . 10 1 1 A 66 66 GLU H H 66 8.365 8.629 -0.264 1
1 836 . 10 1 1 A 66 66 GLU HA H 66 4.320 4.928 -0.608 1
1 841 . 10 1 1 A 66 66 GLU C C 66 176.227 175.713 0.514 1
1 842 . 10 1 1 A 66 66 GLU CA C 66 58.238 55.816 2.422 1
1 843 . 10 1 1 A 66 66 GLU CB C 66 32.567 31.584 0.983 1
1 845 . 10 1 1 A 66 66 GLU N N 66 123.061 120.617 2.444 1
1 846 . 10 1 1 A 67 67 ILE H H 67 9.350 8.708 0.642 1
1 847 . 10 1 1 A 67 67 ILE HA H 67 4.543 4.829 -0.286 1
1 857 . 10 1 1 A 67 67 ILE C C 67 178.127 175.181 2.946 1
1 858 . 10 1 1 A 67 67 ILE CA C 67 61.173 59.121 2.052 1
1 859 . 10 1 1 A 67 67 ILE CB C 67 41.460 41.941 -0.481 1
1 863 . 10 1 1 A 67 67 ILE N N 67 121.809 120.927 0.882 1
1 864 . 10 1 1 A 68 68 ASP H H 68 8.140 8.492 -0.352 1
1 865 . 10 1 1 A 68 68 ASP HA H 68 5.408 5.247 0.161 1
1 868 . 10 1 1 A 68 68 ASP C C 68 176.127 176.747 -0.620 1
1 869 . 10 1 1 A 68 68 ASP CA C 68 53.471 52.323 1.148 1
1 870 . 10 1 1 A 68 68 ASP CB C 68 43.898 42.333 1.565 1
1 871 . 10 1 1 A 68 68 ASP N N 68 122.626 125.073 -2.447 1
1 872 . 10 1 1 A 69 69 PHE H H 69 9.486 9.100 0.386 1
1 873 . 10 1 1 A 69 69 PHE HA H 69 3.397 3.862 -0.465 1
1 880 . 10 1 1 A 69 69 PHE C C 69 174.727 177.614 -2.887 1
1 881 . 10 1 1 A 69 69 PHE CA C 69 63.764 60.877 2.887 1
1 882 . 10 1 1 A 69 69 PHE CB C 69 42.009 38.806 3.203 1
1 883 . 10 1 1 A 69 69 PHE N N 69 118.584 120.022 -1.438 1
1 884 . 10 1 1 A 70 70 LYS H H 70 7.510 8.019 -0.509 1
1 885 . 10 1 1 A 70 70 LYS HA H 70 3.633 4.437 -0.804 1
1 894 . 10 1 1 A 70 70 LYS C C 70 173.627 179.055 -5.428 1
1 895 . 10 1 1 A 70 70 LYS CA C 70 61.940 58.711 3.229 1
1 896 . 10 1 1 A 70 70 LYS CB C 70 33.189 33.001 0.188 1
1 900 . 10 1 1 A 70 70 LYS N N 70 117.327 119.946 -2.619 1
1 901 . 10 1 1 A 71 71 GLU H H 71 8.151 8.296 -0.145 1
1 902 . 10 1 1 A 71 71 GLU HA H 71 3.930 4.073 -0.143 1
1 907 . 10 1 1 A 71 71 GLU C C 71 173.127 179.026 -5.899 1
1 908 . 10 1 1 A 71 71 GLU CA C 71 61.000 59.514 1.486 1
1 909 . 10 1 1 A 71 71 GLU CB C 71 31.639 29.419 2.220 1
1 911 . 10 1 1 A 71 71 GLU N N 71 120.925 118.863 2.062 1
1 912 . 10 1 1 A 72 72 TYR H H 72 8.454 8.037 0.417 1
1 913 . 10 1 1 A 72 72 TYR HA H 72 4.047 4.252 -0.205 1
1 920 . 10 1 1 A 72 72 TYR C C 72 177.227 178.198 -0.971 1
1 921 . 10 1 1 A 72 72 TYR CA C 72 62.068 61.271 0.797 1
1 922 . 10 1 1 A 72 72 TYR CB C 72 39.522 38.514 1.008 1
1 923 . 10 1 1 A 72 72 TYR N N 72 123.271 122.435 0.836 1
1 924 . 10 1 1 A 73 73 SER H H 73 7.990 8.267 -0.277 1
1 925 . 10 1 1 A 73 73 SER HA H 73 3.245 3.930 -0.685 1
1 928 . 10 1 1 A 73 73 SER C C 73 174.327 176.529 -2.202 1
1 929 . 10 1 1 A 73 73 SER CA C 73 62.841 61.273 1.568 1
1 930 . 10 1 1 A 73 73 SER CB C 73 64.317 62.513 1.804 1
1 931 . 10 1 1 A 73 73 SER N N 73 115.432 114.391 1.041 1
1 932 . 10 1 1 A 74 74 VAL H H 74 8.112 7.978 0.134 1
1 933 . 10 1 1 A 74 74 VAL HA H 74 3.375 3.878 -0.503 1
1 941 . 10 1 1 A 74 74 VAL C C 74 174.427 178.213 -3.786 1
1 942 . 10 1 1 A 74 74 VAL CA C 74 68.677 65.846 2.831 1
1 943 . 10 1 1 A 74 74 VAL CB C 74 33.164 31.327 1.837 1
1 946 . 10 1 1 A 74 74 VAL N N 74 123.807 119.103 4.704 1
1 947 . 10 1 1 A 75 75 PHE H H 75 8.149 8.266 -0.117 1
1 948 . 10 1 1 A 75 75 PHE HA H 75 3.878 4.205 -0.327 1
1 955 . 10 1 1 A 75 75 PHE C C 75 174.627 176.960 -2.333 1
1 956 . 10 1 1 A 75 75 PHE CA C 75 64.444 61.401 3.043 1
1 957 . 10 1 1 A 75 75 PHE CB C 75 40.823 39.079 1.744 1
1 958 . 10 1 1 A 75 75 PHE N N 75 122.351 124.062 -1.711 1
1 959 . 10 1 1 A 76 76 LEU H H 76 8.141 8.432 -0.291 1
1 960 . 10 1 1 A 76 76 LEU HA H 76 3.648 3.884 -0.236 1
1 970 . 10 1 1 A 76 76 LEU C C 76 173.327 179.132 -5.805 1
1 971 . 10 1 1 A 76 76 LEU CA C 76 59.810 58.034 1.776 1
1 972 . 10 1 1 A 76 76 LEU CB C 76 42.994 41.488 1.506 1
1 976 . 10 1 1 A 76 76 LEU N N 76 116.801 119.469 -2.668 1
1 977 . 10 1 1 A 77 77 THR H H 77 8.005 8.031 -0.026 1
1 978 . 10 1 1 A 77 77 THR HA H 77 3.561 3.816 -0.255 1
1 984 . 10 1 1 A 77 77 THR C C 77 176.427 175.589 0.838 1
1 985 . 10 1 1 A 77 77 THR CA C 77 69.876 66.618 3.258 1
1 986 . 10 1 1 A 77 77 THR CB C 77 71.163 68.414 2.749 1
1 988 . 10 1 1 A 77 77 THR N N 77 116.415 116.021 0.394 1
1 989 . 10 1 1 A 78 78 MET H H 78 8.059 8.685 -0.626 1
1 990 . 10 1 1 A 78 78 MET HA H 78 3.771 3.919 -0.148 1
1 995 . 10 1 1 A 78 78 MET C C 78 172.927 178.285 -5.358 1
1 996 . 10 1 1 A 78 78 MET CA C 78 60.751 58.380 2.371 1
1 997 . 10 1 1 A 78 78 MET CB C 78 33.255 32.112 1.143 1
1 999 . 10 1 1 A 78 78 MET N N 78 120.960 119.744 1.216 1
1 1000 . 10 1 1 A 79 79 LEU H H 79 8.007 8.162 -0.155 1
1 1001 . 10 1 1 A 79 79 LEU HA H 79 3.646 3.779 -0.133 1
1 1011 . 10 1 1 A 79 79 LEU C C 79 174.527 178.138 -3.611 1
1 1012 . 10 1 1 A 79 79 LEU CA C 79 59.756 57.618 2.138 1
1 1013 . 10 1 1 A 79 79 LEU CB C 79 42.961 41.361 1.600 1
1 1017 . 10 1 1 A 79 79 LEU N N 79 120.772 119.460 1.312 1
1 1018 . 10 1 1 A 80 80 CYS H H 80 8.268 7.996 0.272 1
1 1019 . 10 1 1 A 80 80 CYS HA H 80 3.344 3.777 -0.433 1
1 1022 . 10 1 1 A 80 80 CYS C C 80 176.127 177.397 -1.270 1
1 1023 . 10 1 1 A 80 80 CYS CA C 80 64.083 62.556 1.527 1
1 1024 . 10 1 1 A 80 80 CYS CB C 80 28.199 26.741 1.458 1
1 1025 . 10 1 1 A 80 80 CYS N N 80 118.257 118.365 -0.108 1
1 1026 . 10 1 1 A 81 81 MET H H 81 7.600 8.147 -0.547 1
1 1027 . 10 1 1 A 81 81 MET HA H 81 3.242 4.398 -1.156 1
1 1035 . 10 1 1 A 81 81 MET C C 81 176.227 177.593 -1.366 1
1 1036 . 10 1 1 A 81 81 MET CA C 81 60.091 56.596 3.495 1
1 1037 . 10 1 1 A 81 81 MET CB C 81 34.090 31.523 2.567 1
1 1040 . 10 1 1 A 81 81 MET N N 81 114.515 119.273 -4.758 1
1 1041 . 10 1 1 A 82 82 ALA H H 82 7.299 7.214 0.085 1
1 1042 . 10 1 1 A 82 82 ALA HA H 82 4.121 4.025 0.096 1
1 1046 . 10 1 1 A 82 82 ALA C C 82 173.827 177.152 -3.325 1
1 1047 . 10 1 1 A 82 82 ALA CA C 82 54.930 54.070 0.860 1
1 1048 . 10 1 1 A 82 82 ALA CB C 82 20.641 18.456 2.185 1
1 1049 . 10 1 1 A 82 82 ALA N N 82 118.977 121.170 -2.193 1
1 1050 . 10 1 1 A 83 83 TYR H H 83 7.623 6.999 0.624 1
1 1051 . 10 1 1 A 83 83 TYR HA H 83 4.771 4.713 0.058 1
1 1058 . 10 1 1 A 83 83 TYR CA C 83 59.333 57.330 2.003 1
1 1059 . 10 1 1 A 83 83 TYR CB C 83 41.599 40.631 0.968 1
1 1060 . 10 1 1 A 83 83 TYR N N 83 113.311 112.200 1.111 1
1 1061 . 10 1 1 A 84 84 ASN HA H 84 4.534 4.957 -0.423 1
1 1064 . 10 1 1 A 84 84 ASN CA C 84 56.126 51.918 4.208 1
1 1065 . 10 1 1 A 84 84 ASN CB C 84 41.990 36.368 5.622 1
1 1066 . 10 1 1 A 85 85 ASP H H 85 8.681 7.890 0.791 1
1 1067 . 10 1 1 A 85 85 ASP HA H 85 4.086 4.194 -0.108 1
1 1070 . 10 1 1 A 85 85 ASP CA C 85 58.457 56.511 1.946 1
1 1071 . 10 1 1 A 85 85 ASP CB C 85 42.260 40.170 2.090 1
1 1072 . 10 1 1 A 85 85 ASP N N 85 126.079 121.843 4.236 1
1 1073 . 10 1 1 A 86 86 PHE H H 86 8.672 7.003 1.669 1
1 1074 . 10 1 1 A 86 86 PHE HA H 86 3.744 4.311 -0.567 1
1 1081 . 10 1 1 A 86 86 PHE C C 86 176.827 176.884 -0.057 1
1 1082 . 10 1 1 A 86 86 PHE CA C 86 62.903 60.487 2.416 1
1 1083 . 10 1 1 A 86 86 PHE CB C 86 41.596 38.245 3.351 1
1 1084 . 10 1 1 A 86 86 PHE N N 86 121.950 118.165 3.785 1
1 1085 . 10 1 1 A 87 87 PHE H H 87 7.225 7.297 -0.072 1
1 1086 . 10 1 1 A 87 87 PHE HA H 87 3.836 4.763 -0.927 1
1 1093 . 10 1 1 A 87 87 PHE C C 87 176.927 175.221 1.706 1
1 1094 . 10 1 1 A 87 87 PHE CA C 87 60.422 57.612 2.810 1
1 1095 . 10 1 1 A 87 87 PHE CB C 87 41.081 39.735 1.346 1
1 1096 . 10 1 1 A 87 87 PHE N N 87 110.928 116.414 -5.486 1
1 1097 . 10 1 1 A 88 88 LEU H H 88 7.130 7.783 -0.653 1
1 1098 . 10 1 1 A 88 88 LEU HA H 88 4.169 4.760 -0.591 1
1 1108 . 10 1 1 A 88 88 LEU C C 88 175.027 176.426 -1.399 1
1 1109 . 10 1 1 A 88 88 LEU CA C 88 56.962 53.559 3.403 1
1 1110 . 10 1 1 A 88 88 LEU CB C 88 44.199 42.960 1.239 1
1 1114 . 10 1 1 A 88 88 LEU N N 88 119.732 120.664 -0.932 1
1 1115 . 10 1 1 A 89 89 GLU H H 89 8.097 8.601 -0.504 1
1 1116 . 10 1 1 A 89 89 GLU HA H 89 4.087 4.569 -0.482 1
1 1121 . 10 1 1 A 89 89 GLU C C 89 176.427 175.222 1.205 1
1 1122 . 10 1 1 A 89 89 GLU CA C 89 58.216 57.717 0.499 1
1 1123 . 10 1 1 A 89 89 GLU CB C 89 32.309 32.678 -0.369 1
1 1125 . 10 1 1 A 89 89 GLU N N 89 121.626 120.892 0.734 1
1 1126 . 10 1 1 A 90 90 ASP H H 90 8.243 7.785 0.458 1
1 1127 . 10 1 1 A 90 90 ASP HA H 90 4.425 4.707 -0.282 1
1 1130 . 10 1 1 A 90 90 ASP C C 90 176.527 174.000 2.527 1
1 1131 . 10 1 1 A 90 90 ASP CA C 90 55.815 53.395 2.420 1
1 1132 . 10 1 1 A 90 90 ASP CB C 90 42.874 42.566 0.308 1
1 1133 . 10 1 1 A 90 90 ASP N N 90 121.280 117.986 3.294 1
1 1134 . 10 1 1 A 91 91 ASN H H 91 8.267 8.576 -0.309 1
1 1135 . 10 1 1 A 91 91 ASN HA H 91 4.563 4.756 -0.193 1
1 1140 . 10 1 1 A 91 91 ASN C C 91 178.127 174.556 3.571 1
1 1141 . 10 1 1 A 91 91 ASN CA C 91 54.928 52.661 2.267 1
1 1142 . 10 1 1 A 91 91 ASN CB C 91 40.529 37.038 3.491 1
1 1143 . 10 1 1 A 91 91 ASN N N 91 119.209 121.269 -2.060 1
1 14 . 11 1 1 A 2 2 GLU H H 2 8.722 8.864 -0.142 1
1 15 . 11 1 1 A 2 2 GLU HA H 2 4.557 4.550 0.007 1
1 20 . 11 1 1 A 2 2 GLU C C 2 175.827 176.002 -0.175 1
1 21 . 11 1 1 A 2 2 GLU CA C 2 58.063 55.247 2.816 1
1 22 . 11 1 1 A 2 2 GLU CB C 2 33.147 28.534 4.613 1
1 24 . 11 1 1 A 2 2 GLU N N 2 124.627 124.512 0.115 1
1 25 . 11 1 1 A 3 3 THR H H 3 8.670 8.165 0.505 1
1 26 . 11 1 1 A 3 3 THR HA H 3 4.616 4.897 -0.281 1
1 31 . 11 1 1 A 3 3 THR CA C 3 61.734 60.220 1.514 1
1 32 . 11 1 1 A 3 3 THR CB C 3 70.590 68.867 1.723 1
1 34 . 11 1 1 A 3 3 THR N N 3 116.274 116.422 -0.148 1
1 35 . 11 1 1 A 4 4 PRO HA H 4 4.161 4.388 -0.227 1
1 42 . 11 1 1 A 4 4 PRO C C 4 172.227 178.162 -5.935 1
1 43 . 11 1 1 A 4 4 PRO CA C 4 68.211 65.944 2.267 1
1 44 . 11 1 1 A 4 4 PRO CB C 4 33.796 31.692 2.104 1
1 47 . 11 1 1 A 5 5 LEU H H 5 9.207 7.712 1.495 1
1 48 . 11 1 1 A 5 5 LEU HA H 5 4.038 4.039 -0.001 1
1 58 . 11 1 1 A 5 5 LEU C C 5 174.327 178.265 -3.938 1
1 59 . 11 1 1 A 5 5 LEU CA C 5 59.483 57.480 2.003 1
1 60 . 11 1 1 A 5 5 LEU CB C 5 43.877 41.509 2.368 1
1 64 . 11 1 1 A 5 5 LEU N N 5 119.157 118.061 1.096 1
1 65 . 11 1 1 A 6 6 GLU H H 6 7.661 8.231 -0.570 1
1 66 . 11 1 1 A 6 6 GLU HA H 6 3.755 3.835 -0.080 1
1 71 . 11 1 1 A 6 6 GLU C C 6 172.727 179.218 -6.491 1
1 72 . 11 1 1 A 6 6 GLU CA C 6 61.953 60.068 1.885 1
1 73 . 11 1 1 A 6 6 GLU CB C 6 31.354 29.381 1.973 1
1 75 . 11 1 1 A 6 6 GLU N N 6 119.837 119.383 0.454 1
1 76 . 11 1 1 A 7 7 LYS H H 7 8.430 7.801 0.629 1
1 77 . 11 1 1 A 7 7 LYS HA H 7 3.921 4.251 -0.330 1
1 86 . 11 1 1 A 7 7 LYS C C 7 172.927 178.691 -5.764 1
1 87 . 11 1 1 A 7 7 LYS CA C 7 61.312 58.366 2.946 1
1 88 . 11 1 1 A 7 7 LYS CB C 7 33.861 32.094 1.767 1
1 92 . 11 1 1 A 7 7 LYS N N 7 119.023 118.977 0.046 1
1 93 . 11 1 1 A 8 8 ALA H H 8 8.079 7.881 0.198 1
1 94 . 11 1 1 A 8 8 ALA HA H 8 4.085 4.178 -0.093 1
1 98 . 11 1 1 A 8 8 ALA C C 8 173.027 180.376 -7.349 1
1 99 . 11 1 1 A 8 8 ALA CA C 8 56.967 55.064 1.903 1
1 100 . 11 1 1 A 8 8 ALA CB C 8 20.140 18.141 1.999 1
1 101 . 11 1 1 A 8 8 ALA N N 8 123.824 122.472 1.352 1
1 102 . 11 1 1 A 9 9 LEU H H 9 8.032 7.843 0.189 1
1 103 . 11 1 1 A 9 9 LEU HA H 9 4.061 3.973 0.088 1
1 113 . 11 1 1 A 9 9 LEU C C 9 172.527 179.338 -6.811 1
1 114 . 11 1 1 A 9 9 LEU CA C 9 60.071 58.030 2.041 1
1 115 . 11 1 1 A 9 9 LEU CB C 9 42.714 41.488 1.226 1
1 119 . 11 1 1 A 9 9 LEU N N 9 118.643 118.293 0.350 1
1 120 . 11 1 1 A 10 10 THR H H 10 8.686 7.831 0.855 1
1 121 . 11 1 1 A 10 10 THR HA H 10 3.798 3.902 -0.104 1
1 126 . 11 1 1 A 10 10 THR C C 10 175.127 176.875 -1.748 1
1 127 . 11 1 1 A 10 10 THR CA C 10 69.282 66.603 2.679 1
1 128 . 11 1 1 A 10 10 THR CB C 10 70.132 68.781 1.351 1
1 130 . 11 1 1 A 10 10 THR N N 10 117.087 116.068 1.019 1
1 131 . 11 1 1 A 11 11 THR H H 11 8.628 8.123 0.505 1
1 132 . 11 1 1 A 11 11 THR HA H 11 3.961 4.082 -0.121 1
1 137 . 11 1 1 A 11 11 THR C C 11 174.427 177.578 -3.151 1
1 138 . 11 1 1 A 11 11 THR CA C 11 68.408 65.441 2.967 1
1 139 . 11 1 1 A 11 11 THR CB C 11 69.107 68.118 0.989 1
1 141 . 11 1 1 A 11 11 THR N N 11 120.770 112.540 8.230 1
1 142 . 11 1 1 A 12 12 MET H H 12 8.390 8.028 0.362 1
1 143 . 11 1 1 A 12 12 MET HA H 12 3.956 4.290 -0.334 1
1 151 . 11 1 1 A 12 12 MET C C 12 175.127 178.339 -3.212 1
1 152 . 11 1 1 A 12 12 MET CA C 12 62.750 58.043 4.707 1
1 153 . 11 1 1 A 12 12 MET CB C 12 34.952 33.145 1.807 1
1 156 . 11 1 1 A 12 12 MET N N 12 124.388 120.555 3.833 1
1 157 . 11 1 1 A 13 13 VAL H H 13 8.104 8.295 -0.191 1
1 158 . 11 1 1 A 13 13 VAL HA H 13 3.576 4.163 -0.587 1
1 166 . 11 1 1 A 13 13 VAL C C 13 175.327 178.580 -3.253 1
1 167 . 11 1 1 A 13 13 VAL CA C 13 68.958 66.048 2.910 1
1 168 . 11 1 1 A 13 13 VAL CB C 13 33.703 31.631 2.072 1
1 171 . 11 1 1 A 13 13 VAL N N 13 121.753 116.854 4.899 1
1 172 . 11 1 1 A 14 14 THR H H 14 9.186 8.286 0.900 1
1 173 . 11 1 1 A 14 14 THR HA H 14 3.774 4.085 -0.311 1
1 178 . 11 1 1 A 14 14 THR C C 14 173.927 176.412 -2.485 1
1 179 . 11 1 1 A 14 14 THR CA C 14 67.955 65.849 2.106 1
1 180 . 11 1 1 A 14 14 THR CB C 14 70.504 68.569 1.935 1
1 182 . 11 1 1 A 14 14 THR N N 14 114.911 116.453 -1.542 1
1 183 . 11 1 1 A 15 15 THR H H 15 8.453 8.000 0.453 1
1 184 . 11 1 1 A 15 15 THR HA H 15 3.859 4.203 -0.344 1
1 190 . 11 1 1 A 15 15 THR C C 15 178.127 176.424 1.703 1
1 191 . 11 1 1 A 15 15 THR CA C 15 69.609 65.208 4.401 1
1 192 . 11 1 1 A 15 15 THR CB C 15 70.511 68.516 1.995 1
1 194 . 11 1 1 A 15 15 THR N N 15 118.791 113.410 5.381 1
1 195 . 11 1 1 A 16 16 PHE H H 16 7.207 8.210 -1.003 1
1 196 . 11 1 1 A 16 16 PHE HA H 16 3.572 3.849 -0.277 1
1 203 . 11 1 1 A 16 16 PHE C C 16 178.527 177.932 0.595 1
1 204 . 11 1 1 A 16 16 PHE CA C 16 64.090 61.788 2.302 1
1 205 . 11 1 1 A 16 16 PHE CB C 16 41.091 38.845 2.246 1
1 206 . 11 1 1 A 16 16 PHE N N 16 121.331 122.587 -1.256 1
1 207 . 11 1 1 A 17 17 HIS H H 17 8.393 8.600 -0.207 1
1 208 . 11 1 1 A 17 17 HIS HA H 17 5.329 4.327 1.002 1
1 211 . 11 1 1 A 17 17 HIS C C 17 174.627 176.984 -2.357 1
1 212 . 11 1 1 A 17 17 HIS CA C 17 56.667 58.836 -2.169 1
1 213 . 11 1 1 A 17 17 HIS CB C 17 32.397 30.406 1.991 1
1 214 . 11 1 1 A 17 17 HIS N N 17 117.858 118.879 -1.021 1
1 215 . 11 1 1 A 18 18 LYS H H 18 7.767 8.283 -0.516 1
1 216 . 11 1 1 A 18 18 LYS HA H 18 3.553 4.155 -0.602 1
1 225 . 11 1 1 A 18 18 LYS C C 18 175.527 176.716 -1.189 1
1 226 . 11 1 1 A 18 18 LYS CA C 18 61.301 58.610 2.691 1
1 227 . 11 1 1 A 18 18 LYS CB C 18 33.523 32.110 1.413 1
1 231 . 11 1 1 A 18 18 LYS N N 18 120.691 117.748 2.943 1
1 232 . 11 1 1 A 19 19 TYR H H 19 7.079 7.989 -0.910 1
1 233 . 11 1 1 A 19 19 TYR HA H 19 3.993 4.507 -0.514 1
1 240 . 11 1 1 A 19 19 TYR C C 19 174.227 177.125 -2.898 1
1 241 . 11 1 1 A 19 19 TYR CA C 19 61.287 59.191 2.096 1
1 242 . 11 1 1 A 19 19 TYR CB C 19 42.066 39.543 2.523 1
1 243 . 11 1 1 A 19 19 TYR N N 19 114.592 117.557 -2.965 1
1 244 . 11 1 1 A 20 20 SER H H 20 9.708 8.307 1.401 1
1 245 . 11 1 1 A 20 20 SER HA H 20 4.117 4.010 0.107 1
1 248 . 11 1 1 A 20 20 SER C C 20 175.227 176.647 -1.420 1
1 249 . 11 1 1 A 20 20 SER CA C 20 60.135 62.442 -2.307 1
1 250 . 11 1 1 A 20 20 SER CB C 20 63.159 62.253 0.906 1
1 251 . 11 1 1 A 20 20 SER N N 20 121.764 116.414 5.350 1
1 252 . 11 1 1 A 21 21 GLY H H 21 8.146 8.138 0.008 1
1 253 . 11 1 1 A 21 21 GLY HA2 H 21 3.956 3.792 0.164 1
1 254 . 11 1 1 A 21 21 GLY HA3 H 21 3.571 4.044 -0.473 1
1 255 . 11 1 1 A 21 21 GLY C C 21 177.927 174.904 3.023 1
1 256 . 11 1 1 A 21 21 GLY CA C 21 46.646 45.918 0.728 1
1 257 . 11 1 1 A 21 21 GLY N N 21 106.982 108.600 -1.618 1
1 258 . 11 1 1 A 22 22 ARG H H 22 7.007 7.708 -0.701 1
1 259 . 11 1 1 A 22 22 ARG HA H 22 3.815 4.216 -0.401 1
1 266 . 11 1 1 A 22 22 ARG C C 22 175.927 175.776 0.151 1
1 267 . 11 1 1 A 22 22 ARG CA C 22 60.766 57.161 3.605 1
1 268 . 11 1 1 A 22 22 ARG CB C 22 32.302 30.598 1.704 1
1 271 . 11 1 1 A 22 22 ARG N N 22 118.055 119.819 -1.764 1
1 272 . 11 1 1 A 23 23 GLU H H 23 7.551 7.435 0.116 1
1 273 . 11 1 1 A 23 23 GLU HA H 23 4.436 4.668 -0.232 1
1 278 . 11 1 1 A 23 23 GLU C C 23 177.727 177.108 0.619 1
1 279 . 11 1 1 A 23 23 GLU CA C 23 56.853 54.729 2.124 1
1 280 . 11 1 1 A 23 23 GLU CB C 23 33.988 34.008 -0.020 1
1 282 . 11 1 1 A 23 23 GLU N N 23 114.631 117.369 -2.738 1
1 283 . 11 1 1 A 24 24 GLY H H 24 8.376 8.976 -0.600 1
1 284 . 11 1 1 A 24 24 GLY HA2 H 24 3.771 3.850 -0.079 1
1 285 . 11 1 1 A 24 24 GLY HA3 H 24 3.567 3.921 -0.354 1
1 286 . 11 1 1 A 24 24 GLY C C 24 177.127 174.349 2.778 1
1 287 . 11 1 1 A 24 24 GLY CA C 24 47.718 46.229 1.489 1
1 288 . 11 1 1 A 24 24 GLY N N 24 107.626 110.960 -3.334 1
1 289 . 11 1 1 A 25 25 SER H H 25 8.443 8.097 0.346 1
1 290 . 11 1 1 A 25 25 SER HA H 25 4.314 4.489 -0.175 1
1 293 . 11 1 1 A 25 25 SER C C 25 175.527 174.182 1.345 1
1 294 . 11 1 1 A 25 25 SER CA C 25 59.146 57.744 1.402 1
1 295 . 11 1 1 A 25 25 SER CB C 25 65.573 62.576 2.997 1
1 296 . 11 1 1 A 25 25 SER N N 25 119.000 113.578 5.422 1
1 297 . 11 1 1 A 26 26 LYS H H 26 8.821 7.961 0.860 1
1 298 . 11 1 1 A 26 26 LYS HA H 26 4.307 4.120 0.187 1
1 307 . 11 1 1 A 26 26 LYS C C 26 176.027 177.670 -1.643 1
1 308 . 11 1 1 A 26 26 LYS CA C 26 59.180 58.076 1.104 1
1 309 . 11 1 1 A 26 26 LYS CB C 26 33.211 32.073 1.138 1
1 313 . 11 1 1 A 26 26 LYS N N 26 126.125 124.186 1.939 1
1 314 . 11 1 1 A 27 27 LEU H H 27 8.237 7.737 0.500 1
1 315 . 11 1 1 A 27 27 LEU HA H 27 4.534 5.068 -0.534 1
1 325 . 11 1 1 A 27 27 LEU C C 27 175.627 176.607 -0.980 1
1 326 . 11 1 1 A 27 27 LEU CA C 27 56.384 54.612 1.772 1
1 327 . 11 1 1 A 27 27 LEU CB C 27 44.218 43.803 0.415 1
1 331 . 11 1 1 A 27 27 LEU N N 27 117.484 118.293 -0.809 1
1 332 . 11 1 1 A 28 28 THR H H 28 7.386 7.927 -0.541 1
1 333 . 11 1 1 A 28 28 THR HA H 28 5.517 5.392 0.125 1
1 338 . 11 1 1 A 28 28 THR C C 28 180.227 173.106 7.121 1
1 339 . 11 1 1 A 28 28 THR CA C 28 61.014 60.104 0.910 1
1 340 . 11 1 1 A 28 28 THR CB C 28 75.348 72.060 3.288 1
1 342 . 11 1 1 A 28 28 THR N N 28 106.230 110.398 -4.168 1
1 343 . 11 1 1 A 29 29 LEU H H 29 8.721 8.233 0.488 1
1 344 . 11 1 1 A 29 29 LEU HA H 29 4.713 4.742 -0.029 1
1 354 . 11 1 1 A 29 29 LEU C C 29 176.927 175.270 1.657 1
1 355 . 11 1 1 A 29 29 LEU CA C 29 55.163 53.651 1.512 1
1 356 . 11 1 1 A 29 29 LEU CB C 29 46.059 44.203 1.856 1
1 360 . 11 1 1 A 29 29 LEU N N 29 116.728 116.285 0.443 1
1 361 . 11 1 1 A 30 30 SER H H 30 8.866 8.726 0.140 1
1 362 . 11 1 1 A 30 30 SER HA H 30 4.942 4.824 0.118 1
1 365 . 11 1 1 A 30 30 SER C C 30 176.327 175.878 0.449 1
1 366 . 11 1 1 A 30 30 SER CA C 30 59.032 57.366 1.666 1
1 367 . 11 1 1 A 30 30 SER CB C 30 67.150 64.832 2.318 1
1 368 . 11 1 1 A 30 30 SER N N 30 117.110 116.293 0.817 1
1 369 . 11 1 1 A 31 31 ARG H H 31 8.393 9.138 -0.745 1
1 370 . 11 1 1 A 31 31 ARG HA H 31 3.695 3.882 -0.187 1
1 377 . 11 1 1 A 31 31 ARG C C 31 174.127 178.760 -4.633 1
1 378 . 11 1 1 A 31 31 ARG CA C 31 62.776 60.114 2.662 1
1 379 . 11 1 1 A 31 31 ARG CB C 31 31.601 29.730 1.871 1
1 382 . 11 1 1 A 31 31 ARG N N 31 121.109 121.492 -0.383 1
1 383 . 11 1 1 A 32 32 LYS H H 32 8.264 7.961 0.303 1
1 384 . 11 1 1 A 32 32 LYS HA H 32 3.912 4.002 -0.090 1
1 393 . 11 1 1 A 32 32 LYS C C 32 172.827 178.295 -5.468 1
1 394 . 11 1 1 A 32 32 LYS CA C 32 61.591 59.499 2.092 1
1 395 . 11 1 1 A 32 32 LYS CB C 32 34.116 32.250 1.866 1
1 399 . 11 1 1 A 32 32 LYS N N 32 118.536 119.930 -1.394 1
1 400 . 11 1 1 A 33 33 GLU H H 33 7.790 7.733 0.057 1
1 401 . 11 1 1 A 33 33 GLU HA H 33 4.049 4.125 -0.076 1
1 406 . 11 1 1 A 33 33 GLU C C 33 174.327 178.568 -4.241 1
1 407 . 11 1 1 A 33 33 GLU CA C 33 60.634 58.873 1.761 1
1 408 . 11 1 1 A 33 33 GLU CB C 33 31.617 29.333 2.284 1
1 410 . 11 1 1 A 33 33 GLU N N 33 121.557 118.798 2.759 1
1 411 . 11 1 1 A 34 34 LEU H H 34 8.388 8.264 0.124 1
1 412 . 11 1 1 A 34 34 LEU HA H 34 3.844 3.790 0.054 1
1 422 . 11 1 1 A 34 34 LEU C C 34 174.927 178.088 -3.161 1
1 423 . 11 1 1 A 34 34 LEU CA C 34 59.173 57.738 1.435 1
1 424 . 11 1 1 A 34 34 LEU CB C 34 42.053 41.480 0.573 1
1 428 . 11 1 1 A 34 34 LEU N N 34 120.999 121.212 -0.213 1
1 429 . 11 1 1 A 35 35 LYS H H 35 7.817 8.307 -0.490 1
1 430 . 11 1 1 A 35 35 LYS HA H 35 3.478 3.956 -0.478 1
1 439 . 11 1 1 A 35 35 LYS C C 35 174.627 178.386 -3.759 1
1 440 . 11 1 1 A 35 35 LYS CA C 35 62.312 58.331 3.981 1
1 441 . 11 1 1 A 35 35 LYS CB C 35 33.814 31.294 2.520 1
1 445 . 11 1 1 A 35 35 LYS N N 35 118.738 117.109 1.629 1
1 446 . 11 1 1 A 36 36 GLU H H 36 7.208 7.658 -0.450 1
1 447 . 11 1 1 A 36 36 GLU HA H 36 3.801 4.172 -0.371 1
1 452 . 11 1 1 A 36 36 GLU C C 36 175.227 178.613 -3.386 1
1 453 . 11 1 1 A 36 36 GLU CA C 36 61.015 58.517 2.498 1
1 454 . 11 1 1 A 36 36 GLU CB C 36 30.770 29.769 1.001 1
1 456 . 11 1 1 A 36 36 GLU N N 36 118.771 119.457 -0.686 1
1 457 . 11 1 1 A 37 37 LEU H H 37 8.038 8.251 -0.213 1
1 458 . 11 1 1 A 37 37 LEU HA H 37 3.178 3.523 -0.345 1
1 468 . 11 1 1 A 37 37 LEU C C 37 172.927 178.213 -5.286 1
1 469 . 11 1 1 A 37 37 LEU CA C 37 60.915 58.157 2.758 1
1 470 . 11 1 1 A 37 37 LEU CB C 37 43.352 41.095 2.257 1
1 474 . 11 1 1 A 37 37 LEU N N 37 121.767 121.076 0.691 1
1 475 . 11 1 1 A 38 38 ILE H H 38 8.224 7.851 0.373 1
1 476 . 11 1 1 A 38 38 ILE HA H 38 3.234 3.494 -0.260 1
1 486 . 11 1 1 A 38 38 ILE C C 38 174.727 178.926 -4.199 1
1 487 . 11 1 1 A 38 38 ILE CA C 38 66.464 65.619 0.845 1
1 488 . 11 1 1 A 38 38 ILE CB C 38 38.799 37.723 1.076 1
1 492 . 11 1 1 A 38 38 ILE N N 38 119.417 120.172 -0.755 1
1 493 . 11 1 1 A 39 39 LYS H H 39 7.700 7.881 -0.181 1
1 494 . 11 1 1 A 39 39 LYS HA H 39 3.894 4.261 -0.367 1
1 503 . 11 1 1 A 39 39 LYS C C 39 173.727 177.420 -3.693 1
1 504 . 11 1 1 A 39 39 LYS CA C 39 61.015 58.521 2.494 1
1 505 . 11 1 1 A 39 39 LYS CB C 39 34.100 32.104 1.996 1
1 509 . 11 1 1 A 39 39 LYS N N 39 117.277 119.400 -2.123 1
1 510 . 11 1 1 A 40 40 LYS H H 40 8.170 7.674 0.496 1
1 511 . 11 1 1 A 40 40 LYS HA H 40 4.226 4.306 -0.080 1
1 520 . 11 1 1 A 40 40 LYS C C 40 173.427 178.940 -5.513 1
1 521 . 11 1 1 A 40 40 LYS CA C 40 59.251 57.669 1.582 1
1 522 . 11 1 1 A 40 40 LYS CB C 40 35.528 33.067 2.461 1
1 526 . 11 1 1 A 40 40 LYS N N 40 115.146 118.121 -2.975 1
1 527 . 11 1 1 A 41 41 GLU H H 41 8.778 7.716 1.062 1
1 528 . 11 1 1 A 41 41 GLU HA H 41 4.629 4.289 0.340 1
1 533 . 11 1 1 A 41 41 GLU C C 41 175.527 176.545 -1.018 1
1 534 . 11 1 1 A 41 41 GLU CA C 41 57.177 58.516 -1.339 1
1 535 . 11 1 1 A 41 41 GLU CB C 41 31.656 30.289 1.367 1
1 537 . 11 1 1 A 41 41 GLU N N 41 113.604 117.563 -3.959 1
1 538 . 11 1 1 A 42 42 LEU H H 42 7.610 7.277 0.333 1
1 539 . 11 1 1 A 42 42 LEU HA H 42 4.475 4.705 -0.230 1
1 549 . 11 1 1 A 42 42 LEU C C 42 177.227 175.826 1.401 1
1 550 . 11 1 1 A 42 42 LEU CA C 42 56.047 54.318 1.729 1
1 551 . 11 1 1 A 42 42 LEU CB C 42 45.748 45.892 -0.144 1
1 555 . 11 1 1 A 42 42 LEU N N 42 118.997 118.923 0.074 1
1 556 . 11 1 1 A 43 43 CYS H H 43 8.501 8.821 -0.320 1
1 557 . 11 1 1 A 43 43 CYS HA H 43 4.397 4.473 -0.076 1
1 560 . 11 1 1 A 43 43 CYS C C 43 177.327 173.897 3.430 1
1 561 . 11 1 1 A 43 43 CYS CA C 43 60.023 58.966 1.057 1
1 562 . 11 1 1 A 43 43 CYS CB C 43 27.915 26.595 1.320 1
1 563 . 11 1 1 A 43 43 CYS N N 43 119.622 124.264 -4.642 1
1 564 . 11 1 1 A 44 44 LEU H H 44 8.200 7.837 0.363 1
1 565 . 11 1 1 A 44 44 LEU HA H 44 3.979 4.803 -0.824 1
1 575 . 11 1 1 A 44 44 LEU C C 44 173.927 176.393 -2.466 1
1 576 . 11 1 1 A 44 44 LEU CA C 44 57.244 53.581 3.663 1
1 577 . 11 1 1 A 44 44 LEU CB C 44 43.622 41.716 1.906 1
1 581 . 11 1 1 A 44 44 LEU N N 44 121.955 124.472 -2.517 1
1 582 . 11 1 1 A 45 45 GLY H H 45 8.244 8.364 -0.120 1
1 583 . 11 1 1 A 45 45 GLY HA2 H 45 3.849 3.997 -0.148 1
1 584 . 11 1 1 A 45 45 GLY HA3 H 45 3.789 4.061 -0.272 1
1 585 . 11 1 1 A 45 45 GLY C C 45 178.027 174.906 3.121 1
1 586 . 11 1 1 A 45 45 GLY CA C 45 47.023 46.219 0.804 1
1 587 . 11 1 1 A 45 45 GLY N N 45 107.702 113.066 -5.364 1
1 588 . 11 1 1 A 46 46 GLU H H 46 8.286 8.296 -0.010 1
1 589 . 11 1 1 A 46 46 GLU HA H 46 4.039 4.193 -0.154 1
1 594 . 11 1 1 A 46 46 GLU C C 46 175.127 175.402 -0.275 1
1 595 . 11 1 1 A 46 46 GLU CA C 46 59.176 56.324 2.852 1
1 596 . 11 1 1 A 46 46 GLU CB C 46 31.361 28.688 2.673 1
1 598 . 11 1 1 A 46 46 GLU N N 46 119.602 119.787 -0.185 1
1 599 . 11 1 1 A 47 47 MET H H 47 8.048 7.671 0.377 1
1 600 . 11 1 1 A 47 47 MET HA H 47 4.229 4.667 -0.438 1
1 608 . 11 1 1 A 47 47 MET C C 47 175.727 174.813 0.914 1
1 609 . 11 1 1 A 47 47 MET CA C 47 58.183 54.072 4.111 1
1 610 . 11 1 1 A 47 47 MET CB C 47 34.087 35.323 -1.236 1
1 613 . 11 1 1 A 47 47 MET N N 47 119.617 119.408 0.209 1
1 614 . 11 1 1 A 48 48 LYS H H 48 8.221 8.691 -0.470 1
1 615 . 11 1 1 A 48 48 LYS HA H 48 4.217 4.335 -0.118 1
1 624 . 11 1 1 A 48 48 LYS C C 48 174.927 176.357 -1.430 1
1 625 . 11 1 1 A 48 48 LYS CA C 48 58.304 56.707 1.597 1
1 626 . 11 1 1 A 48 48 LYS CB C 48 34.548 32.505 2.043 1
1 630 . 11 1 1 A 48 48 LYS N N 48 120.987 120.265 0.722 1
1 631 . 11 1 1 A 49 49 GLU H H 49 8.346 8.736 -0.390 1
1 632 . 11 1 1 A 49 49 GLU HA H 49 3.922 4.633 -0.711 1
1 637 . 11 1 1 A 49 49 GLU C C 49 174.427 176.284 -1.857 1
1 638 . 11 1 1 A 49 49 GLU CA C 49 60.298 57.349 2.949 1
1 639 . 11 1 1 A 49 49 GLU CB C 49 31.065 32.369 -1.304 1
1 641 . 11 1 1 A 49 49 GLU N N 49 121.867 124.794 -2.927 1
1 642 . 11 1 1 A 50 50 SER H H 50 8.348 8.021 0.327 1
1 643 . 11 1 1 A 50 50 SER HA H 50 4.172 4.314 -0.142 1
1 647 . 11 1 1 A 50 50 SER C C 50 176.027 175.347 0.680 1
1 648 . 11 1 1 A 50 50 SER CA C 50 62.548 60.684 1.864 1
1 649 . 11 1 1 A 50 50 SER CB C 50 64.840 62.947 1.893 1
1 650 . 11 1 1 A 50 50 SER N N 50 115.695 116.181 -0.486 1
1 651 . 11 1 1 A 51 51 SER H H 51 7.980 8.923 -0.943 1
1 652 . 11 1 1 A 51 51 SER HA H 51 4.258 4.510 -0.252 1
1 655 . 11 1 1 A 51 51 SER C C 51 174.427 174.826 -0.399 1
1 656 . 11 1 1 A 51 51 SER CA C 51 62.828 60.060 2.768 1
1 657 . 11 1 1 A 51 51 SER CB C 51 64.749 61.403 3.346 1
1 658 . 11 1 1 A 51 51 SER N N 51 117.126 120.296 -3.170 1
1 659 . 11 1 1 A 52 52 ILE H H 52 7.365 8.162 -0.797 1
1 660 . 11 1 1 A 52 52 ILE HA H 52 4.038 3.920 0.118 1
1 670 . 11 1 1 A 52 52 ILE C C 52 175.627 177.560 -1.933 1
1 671 . 11 1 1 A 52 52 ILE CA C 52 64.609 63.954 0.655 1
1 672 . 11 1 1 A 52 52 ILE CB C 52 39.272 37.269 2.003 1
1 676 . 11 1 1 A 52 52 ILE N N 52 117.484 118.969 -1.485 1
1 677 . 11 1 1 A 53 53 ASP H H 53 7.681 8.239 -0.558 1
1 678 . 11 1 1 A 53 53 ASP HA H 53 4.214 4.301 -0.087 1
1 681 . 11 1 1 A 53 53 ASP C C 53 174.027 178.073 -4.046 1
1 682 . 11 1 1 A 53 53 ASP CA C 53 59.799 58.068 1.731 1
1 683 . 11 1 1 A 53 53 ASP CB C 53 42.927 42.441 0.486 1
1 684 . 11 1 1 A 53 53 ASP N N 53 121.969 121.161 0.808 1
1 685 . 11 1 1 A 54 54 ASP H H 54 8.227 7.907 0.320 1
1 686 . 11 1 1 A 54 54 ASP HA H 54 4.231 4.406 -0.175 1
1 689 . 11 1 1 A 54 54 ASP C C 54 172.927 178.775 -5.848 1
1 690 . 11 1 1 A 54 54 ASP CA C 54 59.507 57.004 2.503 1
1 691 . 11 1 1 A 54 54 ASP CB C 54 41.818 40.863 0.955 1
1 692 . 11 1 1 A 54 54 ASP N N 54 118.083 119.664 -1.581 1
1 693 . 11 1 1 A 55 55 LEU H H 55 7.650 7.772 -0.122 1
1 694 . 11 1 1 A 55 55 LEU HA H 55 4.016 3.948 0.068 1
1 704 . 11 1 1 A 55 55 LEU C C 55 171.927 179.313 -7.386 1
1 705 . 11 1 1 A 55 55 LEU CA C 55 59.965 58.010 1.955 1
1 706 . 11 1 1 A 55 55 LEU CB C 55 43.370 41.064 2.306 1
1 710 . 11 1 1 A 55 55 LEU N N 55 121.634 120.037 1.597 1
1 711 . 11 1 1 A 56 56 MET H H 56 8.429 8.623 -0.194 1
1 712 . 11 1 1 A 56 56 MET HA H 56 4.325 4.175 0.150 1
1 720 . 11 1 1 A 56 56 MET C C 56 172.527 178.754 -6.227 1
1 721 . 11 1 1 A 56 56 MET CA C 56 59.221 59.349 -0.128 1
1 722 . 11 1 1 A 56 56 MET CB C 56 34.106 32.706 1.400 1
1 725 . 11 1 1 A 56 56 MET N N 56 118.696 117.472 1.224 1
1 726 . 11 1 1 A 57 57 LYS H H 57 8.249 8.277 -0.028 1
1 727 . 11 1 1 A 57 57 LYS HA H 57 3.996 4.227 -0.231 1
1 736 . 11 1 1 A 57 57 LYS C C 57 172.527 178.604 -6.077 1
1 737 . 11 1 1 A 57 57 LYS CA C 57 60.872 58.969 1.903 1
1 738 . 11 1 1 A 57 57 LYS CB C 57 33.853 32.187 1.666 1
1 742 . 11 1 1 A 57 57 LYS N N 57 119.855 119.598 0.257 1
1 743 . 11 1 1 A 58 58 SER H H 58 7.729 8.512 -0.783 1
1 744 . 11 1 1 A 58 58 SER HA H 58 4.125 4.401 -0.276 1
1 747 . 11 1 1 A 58 58 SER C C 58 176.527 176.637 -0.110 1
1 748 . 11 1 1 A 58 58 SER CA C 58 63.029 61.572 1.457 1
1 749 . 11 1 1 A 58 58 SER CB C 58 64.686 63.250 1.436 1
1 750 . 11 1 1 A 58 58 SER N N 58 115.984 117.281 -1.297 1
1 751 . 11 1 1 A 59 59 LEU H H 59 7.288 8.176 -0.888 1
1 752 . 11 1 1 A 59 59 LEU HA H 59 4.058 4.019 0.039 1
1 762 . 11 1 1 A 59 59 LEU C C 59 175.827 177.473 -1.646 1
1 763 . 11 1 1 A 59 59 LEU CA C 59 57.364 57.987 -0.623 1
1 764 . 11 1 1 A 59 59 LEU CB C 59 42.712 41.769 0.943 1
1 768 . 11 1 1 A 59 59 LEU N N 59 120.622 121.413 -0.791 1
1 769 . 11 1 1 A 60 60 ASP H H 60 7.431 8.449 -1.018 1
1 770 . 11 1 1 A 60 60 ASP HA H 60 4.386 4.596 -0.210 1
1 773 . 11 1 1 A 60 60 ASP C C 60 175.927 177.070 -1.143 1
1 774 . 11 1 1 A 60 60 ASP CA C 60 57.012 55.475 1.537 1
1 775 . 11 1 1 A 60 60 ASP CB C 60 42.351 40.356 1.995 1
1 776 . 11 1 1 A 60 60 ASP N N 60 116.755 117.873 -1.118 1
1 777 . 11 1 1 A 61 61 LYS H H 61 7.243 7.903 -0.660 1
1 778 . 11 1 1 A 61 61 LYS HA H 61 4.223 4.071 0.152 1
1 787 . 11 1 1 A 61 61 LYS C C 61 176.527 177.701 -1.174 1
1 788 . 11 1 1 A 61 61 LYS CA C 61 57.287 58.468 -1.181 1
1 789 . 11 1 1 A 61 61 LYS CB C 61 34.683 32.294 2.389 1
1 793 . 11 1 1 A 61 61 LYS N N 61 119.913 120.364 -0.451 1
1 794 . 11 1 1 A 62 62 ASN H H 62 8.725 7.933 0.792 1
1 795 . 11 1 1 A 62 62 ASN HA H 62 4.462 4.909 -0.447 1
1 800 . 11 1 1 A 62 62 ASN C C 62 175.627 176.012 -0.385 1
1 801 . 11 1 1 A 62 62 ASN CA C 62 55.452 53.249 2.203 1
1 802 . 11 1 1 A 62 62 ASN CB C 62 39.336 40.837 -1.501 1
1 803 . 11 1 1 A 62 62 ASN N N 62 120.247 115.617 4.630 1
1 805 . 11 1 1 A 63 63 SER H H 63 8.061 8.000 0.061 1
1 806 . 11 1 1 A 63 63 SER HA H 63 3.957 4.517 -0.560 1
1 809 . 11 1 1 A 63 63 SER C C 63 174.827 173.955 0.872 1
1 810 . 11 1 1 A 63 63 SER CA C 63 62.954 60.124 2.830 1
1 811 . 11 1 1 A 63 63 SER CB C 63 65.586 61.451 4.135 1
1 812 . 11 1 1 A 63 63 SER N N 63 113.249 114.742 -1.493 1
1 813 . 11 1 1 A 64 64 ASP H H 64 8.408 7.983 0.425 1
1 814 . 11 1 1 A 64 64 ASP HA H 64 4.573 4.742 -0.169 1
1 817 . 11 1 1 A 64 64 ASP C C 64 176.027 174.263 1.764 1
1 818 . 11 1 1 A 64 64 ASP CA C 64 55.789 53.819 1.970 1
1 819 . 11 1 1 A 64 64 ASP CB C 64 42.365 40.726 1.639 1
1 820 . 11 1 1 A 64 64 ASP N N 64 117.587 119.334 -1.747 1
1 821 . 11 1 1 A 65 65 GLN H H 65 7.779 7.387 0.392 1
1 822 . 11 1 1 A 65 65 GLN HA H 65 4.026 4.938 -0.912 1
1 829 . 11 1 1 A 65 65 GLN C C 65 176.827 175.316 1.511 1
1 830 . 11 1 1 A 65 65 GLN CA C 65 58.241 54.165 4.076 1
1 831 . 11 1 1 A 65 65 GLN CB C 65 31.309 33.416 -2.107 1
1 833 . 11 1 1 A 65 65 GLN N N 65 121.059 116.541 4.518 1
1 835 . 11 1 1 A 66 66 GLU H H 66 8.365 8.466 -0.101 1
1 836 . 11 1 1 A 66 66 GLU HA H 66 4.320 4.432 -0.112 1
1 841 . 11 1 1 A 66 66 GLU C C 66 176.227 175.763 0.464 1
1 842 . 11 1 1 A 66 66 GLU CA C 66 58.238 57.081 1.157 1
1 843 . 11 1 1 A 66 66 GLU CB C 66 32.567 30.445 2.122 1
1 845 . 11 1 1 A 66 66 GLU N N 66 123.061 120.632 2.429 1
1 846 . 11 1 1 A 67 67 ILE H H 67 9.350 8.651 0.699 1
1 847 . 11 1 1 A 67 67 ILE HA H 67 4.543 5.037 -0.494 1
1 857 . 11 1 1 A 67 67 ILE C C 67 178.127 173.859 4.268 1
1 858 . 11 1 1 A 67 67 ILE CA C 67 61.173 59.481 1.692 1
1 859 . 11 1 1 A 67 67 ILE CB C 67 41.460 41.375 0.085 1
1 863 . 11 1 1 A 67 67 ILE N N 67 121.809 120.761 1.048 1
1 864 . 11 1 1 A 68 68 ASP H H 68 8.140 8.787 -0.647 1
1 865 . 11 1 1 A 68 68 ASP HA H 68 5.408 5.128 0.280 1
1 868 . 11 1 1 A 68 68 ASP C C 68 176.127 176.879 -0.752 1
1 869 . 11 1 1 A 68 68 ASP CA C 68 53.471 53.386 0.085 1
1 870 . 11 1 1 A 68 68 ASP CB C 68 43.898 42.783 1.115 1
1 871 . 11 1 1 A 68 68 ASP N N 68 122.626 126.123 -3.497 1
1 872 . 11 1 1 A 69 69 PHE H H 69 9.486 9.431 0.055 1
1 873 . 11 1 1 A 69 69 PHE HA H 69 3.397 4.141 -0.744 1
1 880 . 11 1 1 A 69 69 PHE C C 69 174.727 177.245 -2.518 1
1 881 . 11 1 1 A 69 69 PHE CA C 69 63.764 61.733 2.031 1
1 882 . 11 1 1 A 69 69 PHE CB C 69 42.009 39.360 2.649 1
1 883 . 11 1 1 A 69 69 PHE N N 69 118.584 127.749 -9.165 1
1 884 . 11 1 1 A 70 70 LYS H H 70 7.510 8.294 -0.784 1
1 885 . 11 1 1 A 70 70 LYS HA H 70 3.633 4.009 -0.376 1
1 894 . 11 1 1 A 70 70 LYS C C 70 173.627 180.016 -6.389 1
1 895 . 11 1 1 A 70 70 LYS CA C 70 61.940 59.446 2.494 1
1 896 . 11 1 1 A 70 70 LYS CB C 70 33.189 32.423 0.766 1
1 900 . 11 1 1 A 70 70 LYS N N 70 117.327 117.746 -0.419 1
1 901 . 11 1 1 A 71 71 GLU H H 71 8.151 7.994 0.157 1
1 902 . 11 1 1 A 71 71 GLU HA H 71 3.930 4.122 -0.192 1
1 907 . 11 1 1 A 71 71 GLU C C 71 173.127 178.693 -5.566 1
1 908 . 11 1 1 A 71 71 GLU CA C 71 61.000 59.230 1.770 1
1 909 . 11 1 1 A 71 71 GLU CB C 71 31.639 29.511 2.128 1
1 911 . 11 1 1 A 71 71 GLU N N 71 120.925 120.426 0.499 1
1 912 . 11 1 1 A 72 72 TYR H H 72 8.454 7.849 0.605 1
1 913 . 11 1 1 A 72 72 TYR HA H 72 4.047 4.157 -0.110 1
1 920 . 11 1 1 A 72 72 TYR C C 72 177.227 177.769 -0.542 1
1 921 . 11 1 1 A 72 72 TYR CA C 72 62.068 61.196 0.872 1
1 922 . 11 1 1 A 72 72 TYR CB C 72 39.522 38.670 0.852 1
1 923 . 11 1 1 A 72 72 TYR N N 72 123.271 122.853 0.418 1
1 924 . 11 1 1 A 73 73 SER H H 73 7.990 8.115 -0.125 1
1 925 . 11 1 1 A 73 73 SER HA H 73 3.245 3.912 -0.667 1
1 928 . 11 1 1 A 73 73 SER C C 73 174.327 176.625 -2.298 1
1 929 . 11 1 1 A 73 73 SER CA C 73 62.841 61.335 1.506 1
1 930 . 11 1 1 A 73 73 SER CB C 73 64.317 62.687 1.630 1
1 931 . 11 1 1 A 73 73 SER N N 73 115.432 114.574 0.858 1
1 932 . 11 1 1 A 74 74 VAL H H 74 8.112 8.208 -0.096 1
1 933 . 11 1 1 A 74 74 VAL HA H 74 3.375 3.818 -0.443 1
1 941 . 11 1 1 A 74 74 VAL C C 74 174.427 178.292 -3.865 1
1 942 . 11 1 1 A 74 74 VAL CA C 74 68.677 65.813 2.864 1
1 943 . 11 1 1 A 74 74 VAL CB C 74 33.164 31.500 1.664 1
1 946 . 11 1 1 A 74 74 VAL N N 74 123.807 119.242 4.565 1
1 947 . 11 1 1 A 75 75 PHE H H 75 8.149 8.095 0.054 1
1 948 . 11 1 1 A 75 75 PHE HA H 75 3.878 4.214 -0.336 1
1 955 . 11 1 1 A 75 75 PHE C C 75 174.627 176.792 -2.165 1
1 956 . 11 1 1 A 75 75 PHE CA C 75 64.444 61.137 3.307 1
1 957 . 11 1 1 A 75 75 PHE CB C 75 40.823 39.342 1.481 1
1 958 . 11 1 1 A 75 75 PHE N N 75 122.351 123.725 -1.374 1
1 959 . 11 1 1 A 76 76 LEU H H 76 8.141 8.472 -0.331 1
1 960 . 11 1 1 A 76 76 LEU HA H 76 3.648 4.062 -0.414 1
1 970 . 11 1 1 A 76 76 LEU C C 76 173.327 179.406 -6.079 1
1 971 . 11 1 1 A 76 76 LEU CA C 76 59.810 58.025 1.785 1
1 972 . 11 1 1 A 76 76 LEU CB C 76 42.994 41.185 1.809 1
1 976 . 11 1 1 A 76 76 LEU N N 76 116.801 119.646 -2.845 1
1 977 . 11 1 1 A 77 77 THR H H 77 8.005 8.161 -0.156 1
1 978 . 11 1 1 A 77 77 THR HA H 77 3.561 3.792 -0.231 1
1 984 . 11 1 1 A 77 77 THR C C 77 176.427 175.912 0.515 1
1 985 . 11 1 1 A 77 77 THR CA C 77 69.876 66.953 2.923 1
1 986 . 11 1 1 A 77 77 THR CB C 77 71.163 68.310 2.853 1
1 988 . 11 1 1 A 77 77 THR N N 77 116.415 116.146 0.269 1
1 989 . 11 1 1 A 78 78 MET H H 78 8.059 8.622 -0.563 1
1 990 . 11 1 1 A 78 78 MET HA H 78 3.771 4.042 -0.271 1
1 995 . 11 1 1 A 78 78 MET C C 78 172.927 178.502 -5.575 1
1 996 . 11 1 1 A 78 78 MET CA C 78 60.751 58.227 2.524 1
1 997 . 11 1 1 A 78 78 MET CB C 78 33.255 31.938 1.317 1
1 999 . 11 1 1 A 78 78 MET N N 78 120.960 119.777 1.183 1
1 1000 . 11 1 1 A 79 79 LEU H H 79 8.007 8.214 -0.207 1
1 1001 . 11 1 1 A 79 79 LEU HA H 79 3.646 4.036 -0.390 1
1 1011 . 11 1 1 A 79 79 LEU C C 79 174.527 178.207 -3.680 1
1 1012 . 11 1 1 A 79 79 LEU CA C 79 59.756 57.828 1.928 1
1 1013 . 11 1 1 A 79 79 LEU CB C 79 42.961 41.754 1.207 1
1 1017 . 11 1 1 A 79 79 LEU N N 79 120.772 120.646 0.126 1
1 1018 . 11 1 1 A 80 80 CYS H H 80 8.268 8.441 -0.173 1
1 1019 . 11 1 1 A 80 80 CYS HA H 80 3.344 2.824 0.520 1
1 1022 . 11 1 1 A 80 80 CYS C C 80 176.127 176.493 -0.366 1
1 1023 . 11 1 1 A 80 80 CYS CA C 80 64.083 62.216 1.867 1
1 1024 . 11 1 1 A 80 80 CYS CB C 80 28.199 26.763 1.436 1
1 1025 . 11 1 1 A 80 80 CYS N N 80 118.257 118.016 0.241 1
1 1026 . 11 1 1 A 81 81 MET H H 81 7.600 8.207 -0.607 1
1 1027 . 11 1 1 A 81 81 MET HA H 81 3.242 4.113 -0.871 1
1 1035 . 11 1 1 A 81 81 MET C C 81 176.227 177.502 -1.275 1
1 1036 . 11 1 1 A 81 81 MET CA C 81 60.091 57.615 2.476 1
1 1037 . 11 1 1 A 81 81 MET CB C 81 34.090 32.462 1.628 1
1 1040 . 11 1 1 A 81 81 MET N N 81 114.515 120.226 -5.711 1
1 1041 . 11 1 1 A 82 82 ALA H H 82 7.299 7.404 -0.105 1
1 1042 . 11 1 1 A 82 82 ALA HA H 82 4.121 4.215 -0.094 1
1 1046 . 11 1 1 A 82 82 ALA C C 82 173.827 177.521 -3.694 1
1 1047 . 11 1 1 A 82 82 ALA CA C 82 54.930 53.298 1.632 1
1 1048 . 11 1 1 A 82 82 ALA CB C 82 20.641 18.756 1.885 1
1 1049 . 11 1 1 A 82 82 ALA N N 82 118.977 120.466 -1.489 1
1 1050 . 11 1 1 A 83 83 TYR H H 83 7.623 7.630 -0.007 1
1 1051 . 11 1 1 A 83 83 TYR HA H 83 4.771 5.133 -0.362 1
1 1058 . 11 1 1 A 83 83 TYR CA C 83 59.333 57.130 2.203 1
1 1059 . 11 1 1 A 83 83 TYR CB C 83 41.599 40.121 1.478 1
1 1060 . 11 1 1 A 83 83 TYR N N 83 113.311 113.283 0.028 1
1 1061 . 11 1 1 A 84 84 ASN HA H 84 4.534 4.422 0.112 1
1 1064 . 11 1 1 A 84 84 ASN CA C 84 56.126 53.217 2.909 1
1 1065 . 11 1 1 A 84 84 ASN CB C 84 41.990 37.157 4.833 1
1 1066 . 11 1 1 A 85 85 ASP H H 85 8.681 8.667 0.014 1
1 1067 . 11 1 1 A 85 85 ASP HA H 85 4.086 4.382 -0.296 1
1 1070 . 11 1 1 A 85 85 ASP CA C 85 58.457 56.361 2.096 1
1 1071 . 11 1 1 A 85 85 ASP CB C 85 42.260 39.480 2.780 1
1 1072 . 11 1 1 A 85 85 ASP N N 85 126.079 121.413 4.666 1
1 1073 . 11 1 1 A 86 86 PHE H H 86 8.672 7.699 0.973 1
1 1074 . 11 1 1 A 86 86 PHE HA H 86 3.744 4.308 -0.564 1
1 1081 . 11 1 1 A 86 86 PHE C C 86 176.827 176.728 0.099 1
1 1082 . 11 1 1 A 86 86 PHE CA C 86 62.903 60.304 2.599 1
1 1083 . 11 1 1 A 86 86 PHE CB C 86 41.596 38.101 3.495 1
1 1084 . 11 1 1 A 86 86 PHE N N 86 121.950 117.279 4.671 1
1 1085 . 11 1 1 A 87 87 PHE H H 87 7.225 7.545 -0.320 1
1 1086 . 11 1 1 A 87 87 PHE HA H 87 3.836 4.798 -0.962 1
1 1093 . 11 1 1 A 87 87 PHE C C 87 176.927 175.132 1.795 1
1 1094 . 11 1 1 A 87 87 PHE CA C 87 60.422 57.684 2.738 1
1 1095 . 11 1 1 A 87 87 PHE CB C 87 41.081 40.096 0.985 1
1 1096 . 11 1 1 A 87 87 PHE N N 87 110.928 116.263 -5.335 1
1 1097 . 11 1 1 A 88 88 LEU H H 88 7.130 7.855 -0.725 1
1 1098 . 11 1 1 A 88 88 LEU HA H 88 4.169 4.910 -0.741 1
1 1108 . 11 1 1 A 88 88 LEU C C 88 175.027 176.725 -1.698 1
1 1109 . 11 1 1 A 88 88 LEU CA C 88 56.962 53.530 3.432 1
1 1110 . 11 1 1 A 88 88 LEU CB C 88 44.199 45.085 -0.886 1
1 1114 . 11 1 1 A 88 88 LEU N N 88 119.732 119.791 -0.059 1
1 1115 . 11 1 1 A 89 89 GLU H H 89 8.097 8.816 -0.719 1
1 1116 . 11 1 1 A 89 89 GLU HA H 89 4.087 4.362 -0.275 1
1 1121 . 11 1 1 A 89 89 GLU C C 89 176.427 176.153 0.274 1
1 1122 . 11 1 1 A 89 89 GLU CA C 89 58.216 56.070 2.146 1
1 1123 . 11 1 1 A 89 89 GLU CB C 89 32.309 29.560 2.749 1
1 1125 . 11 1 1 A 89 89 GLU N N 89 121.626 122.326 -0.700 1
1 1126 . 11 1 1 A 90 90 ASP H H 90 8.243 8.138 0.105 1
1 1127 . 11 1 1 A 90 90 ASP HA H 90 4.425 4.521 -0.096 1
1 1130 . 11 1 1 A 90 90 ASP C C 90 176.527 176.347 0.180 1
1 1131 . 11 1 1 A 90 90 ASP CA C 90 55.815 56.022 -0.207 1
1 1132 . 11 1 1 A 90 90 ASP CB C 90 42.874 40.584 2.290 1
1 1133 . 11 1 1 A 90 90 ASP N N 90 121.280 118.412 2.868 1
1 1134 . 11 1 1 A 91 91 ASN H H 91 8.267 8.337 -0.070 1
1 1135 . 11 1 1 A 91 91 ASN HA H 91 4.563 4.466 0.097 1
1 1140 . 11 1 1 A 91 91 ASN C C 91 178.127 175.866 2.261 1
1 1141 . 11 1 1 A 91 91 ASN CA C 91 54.928 55.494 -0.566 1
1 1142 . 11 1 1 A 91 91 ASN CB C 91 40.529 38.676 1.853 1
1 1143 . 11 1 1 A 91 91 ASN N N 91 119.209 117.606 1.603 1
1 14 . 12 1 1 A 2 2 GLU H H 2 8.722 7.929 0.793 1
1 15 . 12 1 1 A 2 2 GLU HA H 2 4.557 4.509 0.048 1
1 20 . 12 1 1 A 2 2 GLU C C 2 175.827 176.459 -0.632 1
1 21 . 12 1 1 A 2 2 GLU CA C 2 58.063 56.653 1.410 1
1 22 . 12 1 1 A 2 2 GLU CB C 2 33.147 32.142 1.005 1
1 24 . 12 1 1 A 2 2 GLU N N 2 124.627 113.786 10.841 1
1 25 . 12 1 1 A 3 3 THR H H 3 8.670 7.492 1.178 1
1 26 . 12 1 1 A 3 3 THR HA H 3 4.616 4.370 0.246 1
1 31 . 12 1 1 A 3 3 THR CA C 3 61.734 60.647 1.087 1
1 32 . 12 1 1 A 3 3 THR CB C 3 70.590 69.441 1.149 1
1 34 . 12 1 1 A 3 3 THR N N 3 116.274 113.654 2.620 1
1 35 . 12 1 1 A 4 4 PRO HA H 4 4.161 4.335 -0.174 1
1 42 . 12 1 1 A 4 4 PRO C C 4 172.227 178.439 -6.212 1
1 43 . 12 1 1 A 4 4 PRO CA C 4 68.211 66.065 2.146 1
1 44 . 12 1 1 A 4 4 PRO CB C 4 33.796 31.523 2.273 1
1 47 . 12 1 1 A 5 5 LEU H H 5 9.207 7.712 1.495 1
1 48 . 12 1 1 A 5 5 LEU HA H 5 4.038 4.042 -0.004 1
1 58 . 12 1 1 A 5 5 LEU C C 5 174.327 178.356 -4.029 1
1 59 . 12 1 1 A 5 5 LEU CA C 5 59.483 57.519 1.964 1
1 60 . 12 1 1 A 5 5 LEU CB C 5 43.877 41.722 2.155 1
1 64 . 12 1 1 A 5 5 LEU N N 5 119.157 118.085 1.072 1
1 65 . 12 1 1 A 6 6 GLU H H 6 7.661 8.609 -0.948 1
1 66 . 12 1 1 A 6 6 GLU HA H 6 3.755 4.075 -0.320 1
1 71 . 12 1 1 A 6 6 GLU C C 6 172.727 178.382 -5.655 1
1 72 . 12 1 1 A 6 6 GLU CA C 6 61.953 59.090 2.863 1
1 73 . 12 1 1 A 6 6 GLU CB C 6 31.354 29.014 2.340 1
1 75 . 12 1 1 A 6 6 GLU N N 6 119.837 117.004 2.833 1
1 76 . 12 1 1 A 7 7 LYS H H 7 8.430 7.624 0.806 1
1 77 . 12 1 1 A 7 7 LYS HA H 7 3.921 4.106 -0.185 1
1 86 . 12 1 1 A 7 7 LYS C C 7 172.927 178.980 -6.053 1
1 87 . 12 1 1 A 7 7 LYS CA C 7 61.312 58.264 3.048 1
1 88 . 12 1 1 A 7 7 LYS CB C 7 33.861 32.355 1.506 1
1 92 . 12 1 1 A 7 7 LYS N N 7 119.023 119.468 -0.445 1
1 93 . 12 1 1 A 8 8 ALA H H 8 8.079 7.966 0.113 1
1 94 . 12 1 1 A 8 8 ALA HA H 8 4.085 4.030 0.055 1
1 98 . 12 1 1 A 8 8 ALA C C 8 173.027 179.960 -6.933 1
1 99 . 12 1 1 A 8 8 ALA CA C 8 56.967 55.235 1.732 1
1 100 . 12 1 1 A 8 8 ALA CB C 8 20.140 18.389 1.751 1
1 101 . 12 1 1 A 8 8 ALA N N 8 123.824 122.344 1.480 1
1 102 . 12 1 1 A 9 9 LEU H H 9 8.032 7.642 0.390 1
1 103 . 12 1 1 A 9 9 LEU HA H 9 4.061 3.902 0.159 1
1 113 . 12 1 1 A 9 9 LEU C C 9 172.527 179.180 -6.653 1
1 114 . 12 1 1 A 9 9 LEU CA C 9 60.071 58.056 2.015 1
1 115 . 12 1 1 A 9 9 LEU CB C 9 42.714 41.212 1.502 1
1 119 . 12 1 1 A 9 9 LEU N N 9 118.643 117.768 0.875 1
1 120 . 12 1 1 A 10 10 THR H H 10 8.686 7.913 0.773 1
1 121 . 12 1 1 A 10 10 THR HA H 10 3.798 3.873 -0.075 1
1 126 . 12 1 1 A 10 10 THR C C 10 175.127 176.299 -1.172 1
1 127 . 12 1 1 A 10 10 THR CA C 10 69.282 66.492 2.790 1
1 128 . 12 1 1 A 10 10 THR CB C 10 70.132 68.316 1.816 1
1 130 . 12 1 1 A 10 10 THR N N 10 117.087 115.974 1.113 1
1 131 . 12 1 1 A 11 11 THR H H 11 8.628 8.315 0.313 1
1 132 . 12 1 1 A 11 11 THR HA H 11 3.961 3.950 0.011 1
1 137 . 12 1 1 A 11 11 THR C C 11 174.427 176.860 -2.433 1
1 138 . 12 1 1 A 11 11 THR CA C 11 68.408 66.900 1.508 1
1 139 . 12 1 1 A 11 11 THR CB C 11 69.107 68.312 0.795 1
1 141 . 12 1 1 A 11 11 THR N N 11 120.770 117.122 3.648 1
1 142 . 12 1 1 A 12 12 MET H H 12 8.390 8.135 0.255 1
1 143 . 12 1 1 A 12 12 MET HA H 12 3.956 4.327 -0.371 1
1 151 . 12 1 1 A 12 12 MET C C 12 175.127 178.407 -3.280 1
1 152 . 12 1 1 A 12 12 MET CA C 12 62.750 58.302 4.448 1
1 153 . 12 1 1 A 12 12 MET CB C 12 34.952 33.022 1.930 1
1 156 . 12 1 1 A 12 12 MET N N 12 124.388 118.704 5.684 1
1 157 . 12 1 1 A 13 13 VAL H H 13 8.104 8.364 -0.260 1
1 158 . 12 1 1 A 13 13 VAL HA H 13 3.576 4.044 -0.468 1
1 166 . 12 1 1 A 13 13 VAL C C 13 175.327 178.314 -2.987 1
1 167 . 12 1 1 A 13 13 VAL CA C 13 68.958 65.598 3.360 1
1 168 . 12 1 1 A 13 13 VAL CB C 13 33.703 31.548 2.155 1
1 171 . 12 1 1 A 13 13 VAL N N 13 121.753 116.841 4.912 1
1 172 . 12 1 1 A 14 14 THR H H 14 9.186 8.223 0.963 1
1 173 . 12 1 1 A 14 14 THR HA H 14 3.774 4.011 -0.237 1
1 178 . 12 1 1 A 14 14 THR C C 14 173.927 176.896 -2.969 1
1 179 . 12 1 1 A 14 14 THR CA C 14 67.955 66.241 1.714 1
1 180 . 12 1 1 A 14 14 THR CB C 14 70.504 68.252 2.252 1
1 182 . 12 1 1 A 14 14 THR N N 14 114.911 116.453 -1.542 1
1 183 . 12 1 1 A 15 15 THR H H 15 8.453 7.760 0.693 1
1 184 . 12 1 1 A 15 15 THR HA H 15 3.859 4.139 -0.280 1
1 190 . 12 1 1 A 15 15 THR C C 15 178.127 176.473 1.654 1
1 191 . 12 1 1 A 15 15 THR CA C 15 69.609 66.753 2.856 1
1 192 . 12 1 1 A 15 15 THR CB C 15 70.511 69.226 1.285 1
1 194 . 12 1 1 A 15 15 THR N N 15 118.791 116.871 1.920 1
1 195 . 12 1 1 A 16 16 PHE H H 16 7.207 8.669 -1.462 1
1 196 . 12 1 1 A 16 16 PHE HA H 16 3.572 4.188 -0.616 1
1 203 . 12 1 1 A 16 16 PHE C C 16 178.527 177.550 0.977 1
1 204 . 12 1 1 A 16 16 PHE CA C 16 64.090 61.757 2.333 1
1 205 . 12 1 1 A 16 16 PHE CB C 16 41.091 38.860 2.231 1
1 206 . 12 1 1 A 16 16 PHE N N 16 121.331 121.098 0.233 1
1 207 . 12 1 1 A 17 17 HIS H H 17 8.393 8.514 -0.121 1
1 208 . 12 1 1 A 17 17 HIS HA H 17 5.329 4.352 0.977 1
1 211 . 12 1 1 A 17 17 HIS C C 17 174.627 177.100 -2.473 1
1 212 . 12 1 1 A 17 17 HIS CA C 17 56.667 60.006 -3.339 1
1 213 . 12 1 1 A 17 17 HIS CB C 17 32.397 29.895 2.502 1
1 214 . 12 1 1 A 17 17 HIS N N 17 117.858 119.185 -1.327 1
1 215 . 12 1 1 A 18 18 LYS H H 18 7.767 8.216 -0.449 1
1 216 . 12 1 1 A 18 18 LYS HA H 18 3.553 3.865 -0.312 1
1 225 . 12 1 1 A 18 18 LYS C C 18 175.527 176.866 -1.339 1
1 226 . 12 1 1 A 18 18 LYS CA C 18 61.301 59.162 2.139 1
1 227 . 12 1 1 A 18 18 LYS CB C 18 33.523 32.584 0.939 1
1 231 . 12 1 1 A 18 18 LYS N N 18 120.691 117.435 3.256 1
1 232 . 12 1 1 A 19 19 TYR H H 19 7.079 7.425 -0.346 1
1 233 . 12 1 1 A 19 19 TYR HA H 19 3.993 4.427 -0.434 1
1 240 . 12 1 1 A 19 19 TYR C C 19 174.227 176.844 -2.617 1
1 241 . 12 1 1 A 19 19 TYR CA C 19 61.287 58.569 2.718 1
1 242 . 12 1 1 A 19 19 TYR CB C 19 42.066 39.791 2.275 1
1 243 . 12 1 1 A 19 19 TYR N N 19 114.592 117.578 -2.986 1
1 244 . 12 1 1 A 20 20 SER H H 20 9.708 7.528 2.180 1
1 245 . 12 1 1 A 20 20 SER HA H 20 4.117 4.118 -0.001 1
1 248 . 12 1 1 A 20 20 SER C C 20 175.227 176.363 -1.136 1
1 249 . 12 1 1 A 20 20 SER CA C 20 60.135 61.978 -1.843 1
1 250 . 12 1 1 A 20 20 SER CB C 20 63.159 63.600 -0.441 1
1 251 . 12 1 1 A 20 20 SER N N 20 121.764 115.536 6.228 1
1 252 . 12 1 1 A 21 21 GLY H H 21 8.146 8.385 -0.239 1
1 253 . 12 1 1 A 21 21 GLY HA2 H 21 3.956 3.830 0.126 1
1 254 . 12 1 1 A 21 21 GLY HA3 H 21 3.571 3.984 -0.413 1
1 255 . 12 1 1 A 21 21 GLY C C 21 177.927 174.936 2.991 1
1 256 . 12 1 1 A 21 21 GLY CA C 21 46.646 45.809 0.837 1
1 257 . 12 1 1 A 21 21 GLY N N 21 106.982 108.619 -1.637 1
1 258 . 12 1 1 A 22 22 ARG H H 22 7.007 7.628 -0.621 1
1 259 . 12 1 1 A 22 22 ARG HA H 22 3.815 3.964 -0.149 1
1 266 . 12 1 1 A 22 22 ARG C C 22 175.927 177.248 -1.321 1
1 267 . 12 1 1 A 22 22 ARG CA C 22 60.766 58.929 1.837 1
1 268 . 12 1 1 A 22 22 ARG CB C 22 32.302 30.284 2.018 1
1 271 . 12 1 1 A 22 22 ARG N N 22 118.055 119.390 -1.335 1
1 272 . 12 1 1 A 23 23 GLU H H 23 7.551 8.140 -0.589 1
1 273 . 12 1 1 A 23 23 GLU HA H 23 4.436 4.506 -0.070 1
1 278 . 12 1 1 A 23 23 GLU C C 23 177.727 176.114 1.613 1
1 279 . 12 1 1 A 23 23 GLU CA C 23 56.853 56.121 0.732 1
1 280 . 12 1 1 A 23 23 GLU CB C 23 33.988 32.244 1.744 1
1 282 . 12 1 1 A 23 23 GLU N N 23 114.631 114.874 -0.243 1
1 283 . 12 1 1 A 24 24 GLY H H 24 8.376 7.361 1.015 1
1 284 . 12 1 1 A 24 24 GLY HA2 H 24 3.771 4.060 -0.289 1
1 285 . 12 1 1 A 24 24 GLY HA3 H 24 3.567 4.122 -0.555 1
1 286 . 12 1 1 A 24 24 GLY C C 24 177.127 173.636 3.491 1
1 287 . 12 1 1 A 24 24 GLY CA C 24 47.718 45.783 1.935 1
1 288 . 12 1 1 A 24 24 GLY N N 24 107.626 106.640 0.986 1
1 289 . 12 1 1 A 25 25 SER H H 25 8.443 8.565 -0.122 1
1 290 . 12 1 1 A 25 25 SER HA H 25 4.314 4.191 0.123 1
1 293 . 12 1 1 A 25 25 SER C C 25 175.527 174.987 0.540 1
1 294 . 12 1 1 A 25 25 SER CA C 25 59.146 59.011 0.135 1
1 295 . 12 1 1 A 25 25 SER CB C 25 65.573 61.011 4.562 1
1 296 . 12 1 1 A 25 25 SER N N 25 119.000 115.730 3.270 1
1 297 . 12 1 1 A 26 26 LYS H H 26 8.821 8.050 0.771 1
1 298 . 12 1 1 A 26 26 LYS HA H 26 4.307 4.148 0.159 1
1 307 . 12 1 1 A 26 26 LYS C C 26 176.027 177.117 -1.090 1
1 308 . 12 1 1 A 26 26 LYS CA C 26 59.180 58.244 0.936 1
1 309 . 12 1 1 A 26 26 LYS CB C 26 33.211 31.627 1.584 1
1 313 . 12 1 1 A 26 26 LYS N N 26 126.125 121.795 4.330 1
1 314 . 12 1 1 A 27 27 LEU H H 27 8.237 7.844 0.393 1
1 315 . 12 1 1 A 27 27 LEU HA H 27 4.534 4.650 -0.116 1
1 325 . 12 1 1 A 27 27 LEU C C 27 175.627 175.834 -0.207 1
1 326 . 12 1 1 A 27 27 LEU CA C 27 56.384 54.201 2.183 1
1 327 . 12 1 1 A 27 27 LEU CB C 27 44.218 43.752 0.466 1
1 331 . 12 1 1 A 27 27 LEU N N 27 117.484 118.073 -0.589 1
1 332 . 12 1 1 A 28 28 THR H H 28 7.386 8.052 -0.666 1
1 333 . 12 1 1 A 28 28 THR HA H 28 5.517 5.287 0.230 1
1 338 . 12 1 1 A 28 28 THR C C 28 180.227 172.435 7.792 1
1 339 . 12 1 1 A 28 28 THR CA C 28 61.014 60.083 0.931 1
1 340 . 12 1 1 A 28 28 THR CB C 28 75.348 72.050 3.298 1
1 342 . 12 1 1 A 28 28 THR N N 28 106.230 110.275 -4.045 1
1 343 . 12 1 1 A 29 29 LEU H H 29 8.721 8.534 0.187 1
1 344 . 12 1 1 A 29 29 LEU HA H 29 4.713 4.831 -0.118 1
1 354 . 12 1 1 A 29 29 LEU C C 29 176.927 175.412 1.515 1
1 355 . 12 1 1 A 29 29 LEU CA C 29 55.163 53.615 1.548 1
1 356 . 12 1 1 A 29 29 LEU CB C 29 46.059 45.062 0.997 1
1 360 . 12 1 1 A 29 29 LEU N N 29 116.728 119.355 -2.627 1
1 361 . 12 1 1 A 30 30 SER H H 30 8.866 8.606 0.260 1
1 362 . 12 1 1 A 30 30 SER HA H 30 4.942 4.973 -0.031 1
1 365 . 12 1 1 A 30 30 SER C C 30 176.327 175.342 0.985 1
1 366 . 12 1 1 A 30 30 SER CA C 30 59.032 56.883 2.149 1
1 367 . 12 1 1 A 30 30 SER CB C 30 67.150 65.407 1.743 1
1 368 . 12 1 1 A 30 30 SER N N 30 117.110 114.692 2.418 1
1 369 . 12 1 1 A 31 31 ARG H H 31 8.393 8.878 -0.485 1
1 370 . 12 1 1 A 31 31 ARG HA H 31 3.695 3.852 -0.157 1
1 377 . 12 1 1 A 31 31 ARG C C 31 174.127 178.027 -3.900 1
1 378 . 12 1 1 A 31 31 ARG CA C 31 62.776 59.748 3.028 1
1 379 . 12 1 1 A 31 31 ARG CB C 31 31.601 30.129 1.472 1
1 382 . 12 1 1 A 31 31 ARG N N 31 121.109 122.292 -1.183 1
1 383 . 12 1 1 A 32 32 LYS H H 32 8.264 7.783 0.481 1
1 384 . 12 1 1 A 32 32 LYS HA H 32 3.912 3.995 -0.083 1
1 393 . 12 1 1 A 32 32 LYS C C 32 172.827 178.502 -5.675 1
1 394 . 12 1 1 A 32 32 LYS CA C 32 61.591 59.884 1.707 1
1 395 . 12 1 1 A 32 32 LYS CB C 32 34.116 32.349 1.767 1
1 399 . 12 1 1 A 32 32 LYS N N 32 118.536 117.545 0.991 1
1 400 . 12 1 1 A 33 33 GLU H H 33 7.790 7.816 -0.026 1
1 401 . 12 1 1 A 33 33 GLU HA H 33 4.049 4.115 -0.066 1
1 406 . 12 1 1 A 33 33 GLU C C 33 174.327 178.454 -4.127 1
1 407 . 12 1 1 A 33 33 GLU CA C 33 60.634 58.856 1.778 1
1 408 . 12 1 1 A 33 33 GLU CB C 33 31.617 29.319 2.298 1
1 410 . 12 1 1 A 33 33 GLU N N 33 121.557 119.243 2.314 1
1 411 . 12 1 1 A 34 34 LEU H H 34 8.388 8.232 0.156 1
1 412 . 12 1 1 A 34 34 LEU HA H 34 3.844 3.810 0.034 1
1 422 . 12 1 1 A 34 34 LEU C C 34 174.927 178.427 -3.500 1
1 423 . 12 1 1 A 34 34 LEU CA C 34 59.173 57.667 1.506 1
1 424 . 12 1 1 A 34 34 LEU CB C 34 42.053 41.481 0.572 1
1 428 . 12 1 1 A 34 34 LEU N N 34 120.999 121.483 -0.484 1
1 429 . 12 1 1 A 35 35 LYS H H 35 7.817 8.190 -0.373 1
1 430 . 12 1 1 A 35 35 LYS HA H 35 3.478 3.853 -0.375 1
1 439 . 12 1 1 A 35 35 LYS C C 35 174.627 178.329 -3.702 1
1 440 . 12 1 1 A 35 35 LYS CA C 35 62.312 59.302 3.010 1
1 441 . 12 1 1 A 35 35 LYS CB C 35 33.814 32.081 1.733 1
1 445 . 12 1 1 A 35 35 LYS N N 35 118.738 118.680 0.058 1
1 446 . 12 1 1 A 36 36 GLU H H 36 7.208 7.778 -0.570 1
1 447 . 12 1 1 A 36 36 GLU HA H 36 3.801 4.136 -0.335 1
1 452 . 12 1 1 A 36 36 GLU C C 36 175.227 178.612 -3.385 1
1 453 . 12 1 1 A 36 36 GLU CA C 36 61.015 58.601 2.414 1
1 454 . 12 1 1 A 36 36 GLU CB C 36 30.770 29.592 1.178 1
1 456 . 12 1 1 A 36 36 GLU N N 36 118.771 118.539 0.232 1
1 457 . 12 1 1 A 37 37 LEU H H 37 8.038 8.246 -0.208 1
1 458 . 12 1 1 A 37 37 LEU HA H 37 3.178 3.111 0.067 1
1 468 . 12 1 1 A 37 37 LEU C C 37 172.927 178.124 -5.197 1
1 469 . 12 1 1 A 37 37 LEU CA C 37 60.915 57.875 3.040 1
1 470 . 12 1 1 A 37 37 LEU CB C 37 43.352 40.997 2.355 1
1 474 . 12 1 1 A 37 37 LEU N N 37 121.767 120.982 0.785 1
1 475 . 12 1 1 A 38 38 ILE H H 38 8.224 7.900 0.324 1
1 476 . 12 1 1 A 38 38 ILE HA H 38 3.234 3.599 -0.365 1
1 486 . 12 1 1 A 38 38 ILE C C 38 174.727 177.881 -3.154 1
1 487 . 12 1 1 A 38 38 ILE CA C 38 66.464 65.522 0.942 1
1 488 . 12 1 1 A 38 38 ILE CB C 38 38.799 37.879 0.920 1
1 492 . 12 1 1 A 38 38 ILE N N 38 119.417 119.890 -0.473 1
1 493 . 12 1 1 A 39 39 LYS H H 39 7.700 7.509 0.191 1
1 494 . 12 1 1 A 39 39 LYS HA H 39 3.894 4.040 -0.146 1
1 503 . 12 1 1 A 39 39 LYS C C 39 173.727 179.360 -5.633 1
1 504 . 12 1 1 A 39 39 LYS CA C 39 61.015 59.175 1.840 1
1 505 . 12 1 1 A 39 39 LYS CB C 39 34.100 32.164 1.936 1
1 509 . 12 1 1 A 39 39 LYS N N 39 117.277 119.274 -1.997 1
1 510 . 12 1 1 A 40 40 LYS H H 40 8.170 7.943 0.227 1
1 511 . 12 1 1 A 40 40 LYS HA H 40 4.226 4.133 0.093 1
1 520 . 12 1 1 A 40 40 LYS C C 40 173.427 179.137 -5.710 1
1 521 . 12 1 1 A 40 40 LYS CA C 40 59.251 59.256 -0.005 1
1 522 . 12 1 1 A 40 40 LYS CB C 40 35.528 32.694 2.834 1
1 526 . 12 1 1 A 40 40 LYS N N 40 115.146 118.903 -3.757 1
1 527 . 12 1 1 A 41 41 GLU H H 41 8.778 8.909 -0.131 1
1 528 . 12 1 1 A 41 41 GLU HA H 41 4.629 4.185 0.444 1
1 533 . 12 1 1 A 41 41 GLU C C 41 175.527 177.113 -1.586 1
1 534 . 12 1 1 A 41 41 GLU CA C 41 57.177 59.337 -2.160 1
1 535 . 12 1 1 A 41 41 GLU CB C 41 31.656 29.198 2.458 1
1 537 . 12 1 1 A 41 41 GLU N N 41 113.604 118.550 -4.946 1
1 538 . 12 1 1 A 42 42 LEU H H 42 7.610 7.907 -0.297 1
1 539 . 12 1 1 A 42 42 LEU HA H 42 4.475 4.487 -0.012 1
1 549 . 12 1 1 A 42 42 LEU C C 42 177.227 175.277 1.950 1
1 550 . 12 1 1 A 42 42 LEU CA C 42 56.047 53.769 2.278 1
1 551 . 12 1 1 A 42 42 LEU CB C 42 45.748 40.651 5.097 1
1 555 . 12 1 1 A 42 42 LEU N N 42 118.997 119.526 -0.529 1
1 556 . 12 1 1 A 43 43 CYS H H 43 8.501 8.550 -0.049 1
1 557 . 12 1 1 A 43 43 CYS HA H 43 4.397 4.498 -0.101 1
1 560 . 12 1 1 A 43 43 CYS C C 43 177.327 173.400 3.927 1
1 561 . 12 1 1 A 43 43 CYS CA C 43 60.023 58.414 1.609 1
1 562 . 12 1 1 A 43 43 CYS CB C 43 27.915 26.551 1.364 1
1 563 . 12 1 1 A 43 43 CYS N N 43 119.622 124.311 -4.689 1
1 564 . 12 1 1 A 44 44 LEU H H 44 8.200 8.712 -0.512 1
1 565 . 12 1 1 A 44 44 LEU HA H 44 3.979 4.298 -0.319 1
1 575 . 12 1 1 A 44 44 LEU C C 44 173.927 177.775 -3.848 1
1 576 . 12 1 1 A 44 44 LEU CA C 44 57.244 54.567 2.677 1
1 577 . 12 1 1 A 44 44 LEU CB C 44 43.622 40.830 2.792 1
1 581 . 12 1 1 A 44 44 LEU N N 44 121.955 127.692 -5.737 1
1 582 . 12 1 1 A 45 45 GLY H H 45 8.244 8.618 -0.374 1
1 583 . 12 1 1 A 45 45 GLY HA2 H 45 3.849 3.969 -0.120 1
1 584 . 12 1 1 A 45 45 GLY HA3 H 45 3.789 3.994 -0.205 1
1 585 . 12 1 1 A 45 45 GLY C C 45 178.027 174.963 3.064 1
1 586 . 12 1 1 A 45 45 GLY CA C 45 47.023 45.574 1.449 1
1 587 . 12 1 1 A 45 45 GLY N N 45 107.702 113.847 -6.145 1
1 588 . 12 1 1 A 46 46 GLU H H 46 8.286 8.133 0.153 1
1 589 . 12 1 1 A 46 46 GLU HA H 46 4.039 4.541 -0.502 1
1 594 . 12 1 1 A 46 46 GLU C C 46 175.127 176.097 -0.970 1
1 595 . 12 1 1 A 46 46 GLU CA C 46 59.176 56.346 2.830 1
1 596 . 12 1 1 A 46 46 GLU CB C 46 31.361 32.015 -0.654 1
1 598 . 12 1 1 A 46 46 GLU N N 46 119.602 115.671 3.931 1
1 599 . 12 1 1 A 47 47 MET H H 47 8.048 7.826 0.222 1
1 600 . 12 1 1 A 47 47 MET HA H 47 4.229 4.393 -0.164 1
1 608 . 12 1 1 A 47 47 MET C C 47 175.727 174.153 1.574 1
1 609 . 12 1 1 A 47 47 MET CA C 47 58.183 54.382 3.801 1
1 610 . 12 1 1 A 47 47 MET CB C 47 34.087 30.719 3.368 1
1 613 . 12 1 1 A 47 47 MET N N 47 119.617 119.823 -0.206 1
1 614 . 12 1 1 A 48 48 LYS H H 48 8.221 7.812 0.409 1
1 615 . 12 1 1 A 48 48 LYS HA H 48 4.217 5.083 -0.866 1
1 624 . 12 1 1 A 48 48 LYS C C 48 174.927 174.601 0.326 1
1 625 . 12 1 1 A 48 48 LYS CA C 48 58.304 54.994 3.310 1
1 626 . 12 1 1 A 48 48 LYS CB C 48 34.548 35.923 -1.375 1
1 630 . 12 1 1 A 48 48 LYS N N 48 120.987 118.106 2.881 1
1 631 . 12 1 1 A 49 49 GLU H H 49 8.346 8.537 -0.191 1
1 632 . 12 1 1 A 49 49 GLU HA H 49 3.922 4.691 -0.769 1
1 637 . 12 1 1 A 49 49 GLU C C 49 174.427 175.876 -1.449 1
1 638 . 12 1 1 A 49 49 GLU CA C 49 60.298 55.523 4.775 1
1 639 . 12 1 1 A 49 49 GLU CB C 49 31.065 31.230 -0.165 1
1 641 . 12 1 1 A 49 49 GLU N N 49 121.867 120.530 1.337 1
1 642 . 12 1 1 A 50 50 SER H H 50 8.348 8.273 0.075 1
1 643 . 12 1 1 A 50 50 SER HA H 50 4.172 4.919 -0.747 1
1 647 . 12 1 1 A 50 50 SER C C 50 176.027 174.880 1.147 1
1 648 . 12 1 1 A 50 50 SER CA C 50 62.548 56.465 6.083 1
1 649 . 12 1 1 A 50 50 SER CB C 50 64.840 64.709 0.131 1
1 650 . 12 1 1 A 50 50 SER N N 50 115.695 118.160 -2.465 1
1 651 . 12 1 1 A 51 51 SER H H 51 7.980 8.665 -0.685 1
1 652 . 12 1 1 A 51 51 SER HA H 51 4.258 4.048 0.210 1
1 655 . 12 1 1 A 51 51 SER C C 51 174.427 174.621 -0.194 1
1 656 . 12 1 1 A 51 51 SER CA C 51 62.828 61.140 1.688 1
1 657 . 12 1 1 A 51 51 SER CB C 51 64.749 61.143 3.606 1
1 658 . 12 1 1 A 51 51 SER N N 51 117.126 115.020 2.106 1
1 659 . 12 1 1 A 52 52 ILE H H 52 7.365 8.129 -0.764 1
1 660 . 12 1 1 A 52 52 ILE HA H 52 4.038 3.745 0.293 1
1 670 . 12 1 1 A 52 52 ILE C C 52 175.627 177.498 -1.871 1
1 671 . 12 1 1 A 52 52 ILE CA C 52 64.609 63.646 0.963 1
1 672 . 12 1 1 A 52 52 ILE CB C 52 39.272 37.593 1.679 1
1 676 . 12 1 1 A 52 52 ILE N N 52 117.484 121.199 -3.715 1
1 677 . 12 1 1 A 53 53 ASP H H 53 7.681 8.004 -0.323 1
1 678 . 12 1 1 A 53 53 ASP HA H 53 4.214 4.449 -0.235 1
1 681 . 12 1 1 A 53 53 ASP C C 53 174.027 178.551 -4.524 1
1 682 . 12 1 1 A 53 53 ASP CA C 53 59.799 56.808 2.991 1
1 683 . 12 1 1 A 53 53 ASP CB C 53 42.927 40.575 2.352 1
1 684 . 12 1 1 A 53 53 ASP N N 53 121.969 121.881 0.088 1
1 685 . 12 1 1 A 54 54 ASP H H 54 8.227 8.077 0.150 1
1 686 . 12 1 1 A 54 54 ASP HA H 54 4.231 4.417 -0.186 1
1 689 . 12 1 1 A 54 54 ASP C C 54 172.927 178.711 -5.784 1
1 690 . 12 1 1 A 54 54 ASP CA C 54 59.507 57.201 2.306 1
1 691 . 12 1 1 A 54 54 ASP CB C 54 41.818 41.068 0.750 1
1 692 . 12 1 1 A 54 54 ASP N N 54 118.083 119.273 -1.190 1
1 693 . 12 1 1 A 55 55 LEU H H 55 7.650 8.659 -1.009 1
1 694 . 12 1 1 A 55 55 LEU HA H 55 4.016 4.060 -0.044 1
1 704 . 12 1 1 A 55 55 LEU C C 55 171.927 179.535 -7.608 1
1 705 . 12 1 1 A 55 55 LEU CA C 55 59.965 57.991 1.974 1
1 706 . 12 1 1 A 55 55 LEU CB C 55 43.370 41.459 1.911 1
1 710 . 12 1 1 A 55 55 LEU N N 55 121.634 120.077 1.557 1
1 711 . 12 1 1 A 56 56 MET H H 56 8.429 8.471 -0.042 1
1 712 . 12 1 1 A 56 56 MET HA H 56 4.325 4.180 0.145 1
1 720 . 12 1 1 A 56 56 MET C C 56 172.527 179.012 -6.485 1
1 721 . 12 1 1 A 56 56 MET CA C 56 59.221 59.574 -0.353 1
1 722 . 12 1 1 A 56 56 MET CB C 56 34.106 32.752 1.354 1
1 725 . 12 1 1 A 56 56 MET N N 56 118.696 117.922 0.774 1
1 726 . 12 1 1 A 57 57 LYS H H 57 8.249 7.909 0.340 1
1 727 . 12 1 1 A 57 57 LYS HA H 57 3.996 4.187 -0.191 1
1 736 . 12 1 1 A 57 57 LYS C C 57 172.527 178.790 -6.263 1
1 737 . 12 1 1 A 57 57 LYS CA C 57 60.872 58.901 1.971 1
1 738 . 12 1 1 A 57 57 LYS CB C 57 33.853 32.280 1.573 1
1 742 . 12 1 1 A 57 57 LYS N N 57 119.855 119.385 0.470 1
1 743 . 12 1 1 A 58 58 SER H H 58 7.729 8.090 -0.361 1
1 744 . 12 1 1 A 58 58 SER HA H 58 4.125 4.354 -0.229 1
1 747 . 12 1 1 A 58 58 SER C C 58 176.527 176.428 0.099 1
1 748 . 12 1 1 A 58 58 SER CA C 58 63.029 61.069 1.960 1
1 749 . 12 1 1 A 58 58 SER CB C 58 64.686 63.168 1.518 1
1 750 . 12 1 1 A 58 58 SER N N 58 115.984 115.666 0.318 1
1 751 . 12 1 1 A 59 59 LEU H H 59 7.288 7.932 -0.644 1
1 752 . 12 1 1 A 59 59 LEU HA H 59 4.058 4.201 -0.143 1
1 762 . 12 1 1 A 59 59 LEU C C 59 175.827 178.414 -2.587 1
1 763 . 12 1 1 A 59 59 LEU CA C 59 57.364 56.948 0.416 1
1 764 . 12 1 1 A 59 59 LEU CB C 59 42.712 41.677 1.035 1
1 768 . 12 1 1 A 59 59 LEU N N 59 120.622 121.345 -0.723 1
1 769 . 12 1 1 A 60 60 ASP H H 60 7.431 8.542 -1.111 1
1 770 . 12 1 1 A 60 60 ASP HA H 60 4.386 4.427 -0.041 1
1 773 . 12 1 1 A 60 60 ASP C C 60 175.927 177.779 -1.852 1
1 774 . 12 1 1 A 60 60 ASP CA C 60 57.012 56.520 0.492 1
1 775 . 12 1 1 A 60 60 ASP CB C 60 42.351 41.472 0.879 1
1 776 . 12 1 1 A 60 60 ASP N N 60 116.755 119.536 -2.781 1
1 777 . 12 1 1 A 61 61 LYS H H 61 7.243 7.826 -0.583 1
1 778 . 12 1 1 A 61 61 LYS HA H 61 4.223 3.969 0.254 1
1 787 . 12 1 1 A 61 61 LYS C C 61 176.527 177.614 -1.087 1
1 788 . 12 1 1 A 61 61 LYS CA C 61 57.287 59.446 -2.159 1
1 789 . 12 1 1 A 61 61 LYS CB C 61 34.683 32.210 2.473 1
1 793 . 12 1 1 A 61 61 LYS N N 61 119.913 118.206 1.707 1
1 794 . 12 1 1 A 62 62 ASN H H 62 8.725 7.441 1.284 1
1 795 . 12 1 1 A 62 62 ASN HA H 62 4.462 4.903 -0.441 1
1 800 . 12 1 1 A 62 62 ASN C C 62 175.627 175.015 0.612 1
1 801 . 12 1 1 A 62 62 ASN CA C 62 55.452 52.334 3.118 1
1 802 . 12 1 1 A 62 62 ASN CB C 62 39.336 39.564 -0.228 1
1 803 . 12 1 1 A 62 62 ASN N N 62 120.247 115.628 4.619 1
1 805 . 12 1 1 A 63 63 SER H H 63 8.061 7.865 0.196 1
1 806 . 12 1 1 A 63 63 SER HA H 63 3.957 4.128 -0.171 1
1 809 . 12 1 1 A 63 63 SER C C 63 174.827 173.829 0.998 1
1 810 . 12 1 1 A 63 63 SER CA C 63 62.954 59.767 3.187 1
1 811 . 12 1 1 A 63 63 SER CB C 63 65.586 62.933 2.653 1
1 812 . 12 1 1 A 63 63 SER N N 63 113.249 112.828 0.421 1
1 813 . 12 1 1 A 64 64 ASP H H 64 8.408 8.522 -0.114 1
1 814 . 12 1 1 A 64 64 ASP HA H 64 4.573 4.816 -0.243 1
1 817 . 12 1 1 A 64 64 ASP C C 64 176.027 175.500 0.527 1
1 818 . 12 1 1 A 64 64 ASP CA C 64 55.789 54.133 1.656 1
1 819 . 12 1 1 A 64 64 ASP CB C 64 42.365 42.724 -0.359 1
1 820 . 12 1 1 A 64 64 ASP N N 64 117.587 117.496 0.091 1
1 821 . 12 1 1 A 65 65 GLN H H 65 7.779 7.446 0.333 1
1 822 . 12 1 1 A 65 65 GLN HA H 65 4.026 4.309 -0.283 1
1 829 . 12 1 1 A 65 65 GLN C C 65 176.827 175.646 1.181 1
1 830 . 12 1 1 A 65 65 GLN CA C 65 58.241 56.114 2.127 1
1 831 . 12 1 1 A 65 65 GLN CB C 65 31.309 28.951 2.358 1
1 833 . 12 1 1 A 65 65 GLN N N 65 121.059 118.882 2.177 1
1 835 . 12 1 1 A 66 66 GLU H H 66 8.365 8.644 -0.279 1
1 836 . 12 1 1 A 66 66 GLU HA H 66 4.320 4.832 -0.512 1
1 841 . 12 1 1 A 66 66 GLU C C 66 176.227 175.960 0.267 1
1 842 . 12 1 1 A 66 66 GLU CA C 66 58.238 56.234 2.004 1
1 843 . 12 1 1 A 66 66 GLU CB C 66 32.567 31.101 1.466 1
1 845 . 12 1 1 A 66 66 GLU N N 66 123.061 123.013 0.048 1
1 846 . 12 1 1 A 67 67 ILE H H 67 9.350 8.703 0.647 1
1 847 . 12 1 1 A 67 67 ILE HA H 67 4.543 4.842 -0.299 1
1 857 . 12 1 1 A 67 67 ILE C C 67 178.127 175.132 2.995 1
1 858 . 12 1 1 A 67 67 ILE CA C 67 61.173 59.439 1.734 1
1 859 . 12 1 1 A 67 67 ILE CB C 67 41.460 42.282 -0.822 1
1 863 . 12 1 1 A 67 67 ILE N N 67 121.809 123.707 -1.898 1
1 864 . 12 1 1 A 68 68 ASP H H 68 8.140 8.441 -0.301 1
1 865 . 12 1 1 A 68 68 ASP HA H 68 5.408 4.916 0.492 1
1 868 . 12 1 1 A 68 68 ASP C C 68 176.127 177.708 -1.581 1
1 869 . 12 1 1 A 68 68 ASP CA C 68 53.471 52.326 1.145 1
1 870 . 12 1 1 A 68 68 ASP CB C 68 43.898 41.927 1.971 1
1 871 . 12 1 1 A 68 68 ASP N N 68 122.626 125.094 -2.468 1
1 872 . 12 1 1 A 69 69 PHE H H 69 9.486 8.559 0.927 1
1 873 . 12 1 1 A 69 69 PHE HA H 69 3.397 4.051 -0.654 1
1 880 . 12 1 1 A 69 69 PHE C C 69 174.727 178.095 -3.368 1
1 881 . 12 1 1 A 69 69 PHE CA C 69 63.764 60.904 2.860 1
1 882 . 12 1 1 A 69 69 PHE CB C 69 42.009 38.473 3.536 1
1 883 . 12 1 1 A 69 69 PHE N N 69 118.584 119.799 -1.215 1
1 884 . 12 1 1 A 70 70 LYS H H 70 7.510 8.069 -0.559 1
1 885 . 12 1 1 A 70 70 LYS HA H 70 3.633 4.328 -0.695 1
1 894 . 12 1 1 A 70 70 LYS C C 70 173.627 179.484 -5.857 1
1 895 . 12 1 1 A 70 70 LYS CA C 70 61.940 58.992 2.948 1
1 896 . 12 1 1 A 70 70 LYS CB C 70 33.189 32.708 0.481 1
1 900 . 12 1 1 A 70 70 LYS N N 70 117.327 121.191 -3.864 1
1 901 . 12 1 1 A 71 71 GLU H H 71 8.151 8.105 0.046 1
1 902 . 12 1 1 A 71 71 GLU HA H 71 3.930 4.149 -0.219 1
1 907 . 12 1 1 A 71 71 GLU C C 71 173.127 178.701 -5.574 1
1 908 . 12 1 1 A 71 71 GLU CA C 71 61.000 59.240 1.760 1
1 909 . 12 1 1 A 71 71 GLU CB C 71 31.639 29.483 2.156 1
1 911 . 12 1 1 A 71 71 GLU N N 71 120.925 120.525 0.400 1
1 912 . 12 1 1 A 72 72 TYR H H 72 8.454 7.863 0.591 1
1 913 . 12 1 1 A 72 72 TYR HA H 72 4.047 4.310 -0.263 1
1 920 . 12 1 1 A 72 72 TYR C C 72 177.227 177.780 -0.553 1
1 921 . 12 1 1 A 72 72 TYR CA C 72 62.068 60.938 1.130 1
1 922 . 12 1 1 A 72 72 TYR CB C 72 39.522 38.837 0.685 1
1 923 . 12 1 1 A 72 72 TYR N N 72 123.271 122.797 0.474 1
1 924 . 12 1 1 A 73 73 SER H H 73 7.990 8.763 -0.773 1
1 925 . 12 1 1 A 73 73 SER HA H 73 3.245 4.146 -0.901 1
1 928 . 12 1 1 A 73 73 SER C C 73 174.327 176.498 -2.171 1
1 929 . 12 1 1 A 73 73 SER CA C 73 62.841 61.496 1.345 1
1 930 . 12 1 1 A 73 73 SER CB C 73 64.317 62.617 1.700 1
1 931 . 12 1 1 A 73 73 SER N N 73 115.432 114.688 0.744 1
1 932 . 12 1 1 A 74 74 VAL H H 74 8.112 8.078 0.034 1
1 933 . 12 1 1 A 74 74 VAL HA H 74 3.375 3.825 -0.450 1
1 941 . 12 1 1 A 74 74 VAL C C 74 174.427 178.245 -3.818 1
1 942 . 12 1 1 A 74 74 VAL CA C 74 68.677 65.635 3.042 1
1 943 . 12 1 1 A 74 74 VAL CB C 74 33.164 31.657 1.507 1
1 946 . 12 1 1 A 74 74 VAL N N 74 123.807 119.400 4.407 1
1 947 . 12 1 1 A 75 75 PHE H H 75 8.149 8.246 -0.097 1
1 948 . 12 1 1 A 75 75 PHE HA H 75 3.878 4.207 -0.329 1
1 955 . 12 1 1 A 75 75 PHE C C 75 174.627 177.088 -2.461 1
1 956 . 12 1 1 A 75 75 PHE CA C 75 64.444 61.421 3.023 1
1 957 . 12 1 1 A 75 75 PHE CB C 75 40.823 39.212 1.611 1
1 958 . 12 1 1 A 75 75 PHE N N 75 122.351 123.924 -1.573 1
1 959 . 12 1 1 A 76 76 LEU H H 76 8.141 8.503 -0.362 1
1 960 . 12 1 1 A 76 76 LEU HA H 76 3.648 3.843 -0.195 1
1 970 . 12 1 1 A 76 76 LEU C C 76 173.327 178.974 -5.647 1
1 971 . 12 1 1 A 76 76 LEU CA C 76 59.810 58.061 1.749 1
1 972 . 12 1 1 A 76 76 LEU CB C 76 42.994 41.795 1.199 1
1 976 . 12 1 1 A 76 76 LEU N N 76 116.801 119.763 -2.962 1
1 977 . 12 1 1 A 77 77 THR H H 77 8.005 8.128 -0.123 1
1 978 . 12 1 1 A 77 77 THR HA H 77 3.561 3.794 -0.233 1
1 984 . 12 1 1 A 77 77 THR C C 77 176.427 176.045 0.382 1
1 985 . 12 1 1 A 77 77 THR CA C 77 69.876 66.910 2.966 1
1 986 . 12 1 1 A 77 77 THR CB C 77 71.163 68.267 2.896 1
1 988 . 12 1 1 A 77 77 THR N N 77 116.415 115.878 0.537 1
1 989 . 12 1 1 A 78 78 MET H H 78 8.059 8.575 -0.516 1
1 990 . 12 1 1 A 78 78 MET HA H 78 3.771 4.069 -0.298 1
1 995 . 12 1 1 A 78 78 MET C C 78 172.927 178.169 -5.242 1
1 996 . 12 1 1 A 78 78 MET CA C 78 60.751 57.940 2.811 1
1 997 . 12 1 1 A 78 78 MET CB C 78 33.255 32.008 1.247 1
1 999 . 12 1 1 A 78 78 MET N N 78 120.960 119.823 1.137 1
1 1000 . 12 1 1 A 79 79 LEU H H 79 8.007 8.263 -0.256 1
1 1001 . 12 1 1 A 79 79 LEU HA H 79 3.646 3.719 -0.073 1
1 1011 . 12 1 1 A 79 79 LEU C C 79 174.527 178.176 -3.649 1
1 1012 . 12 1 1 A 79 79 LEU CA C 79 59.756 57.714 2.042 1
1 1013 . 12 1 1 A 79 79 LEU CB C 79 42.961 41.565 1.396 1
1 1017 . 12 1 1 A 79 79 LEU N N 79 120.772 119.364 1.408 1
1 1018 . 12 1 1 A 80 80 CYS H H 80 8.268 8.234 0.034 1
1 1019 . 12 1 1 A 80 80 CYS HA H 80 3.344 3.655 -0.311 1
1 1022 . 12 1 1 A 80 80 CYS C C 80 176.127 176.739 -0.612 1
1 1023 . 12 1 1 A 80 80 CYS CA C 80 64.083 62.534 1.549 1
1 1024 . 12 1 1 A 80 80 CYS CB C 80 28.199 26.738 1.461 1
1 1025 . 12 1 1 A 80 80 CYS N N 80 118.257 117.960 0.297 1
1 1026 . 12 1 1 A 81 81 MET H H 81 7.600 8.113 -0.513 1
1 1027 . 12 1 1 A 81 81 MET HA H 81 3.242 4.206 -0.964 1
1 1035 . 12 1 1 A 81 81 MET C C 81 176.227 177.558 -1.331 1
1 1036 . 12 1 1 A 81 81 MET CA C 81 60.091 57.824 2.267 1
1 1037 . 12 1 1 A 81 81 MET CB C 81 34.090 32.339 1.751 1
1 1040 . 12 1 1 A 81 81 MET N N 81 114.515 120.345 -5.830 1
1 1041 . 12 1 1 A 82 82 ALA H H 82 7.299 7.431 -0.132 1
1 1042 . 12 1 1 A 82 82 ALA HA H 82 4.121 4.157 -0.036 1
1 1046 . 12 1 1 A 82 82 ALA C C 82 173.827 177.393 -3.566 1
1 1047 . 12 1 1 A 82 82 ALA CA C 82 54.930 53.375 1.555 1
1 1048 . 12 1 1 A 82 82 ALA CB C 82 20.641 18.742 1.899 1
1 1049 . 12 1 1 A 82 82 ALA N N 82 118.977 120.533 -1.556 1
1 1050 . 12 1 1 A 83 83 TYR H H 83 7.623 7.234 0.389 1
1 1051 . 12 1 1 A 83 83 TYR HA H 83 4.771 4.752 0.019 1
1 1058 . 12 1 1 A 83 83 TYR CA C 83 59.333 57.183 2.150 1
1 1059 . 12 1 1 A 83 83 TYR CB C 83 41.599 40.536 1.063 1
1 1060 . 12 1 1 A 83 83 TYR N N 83 113.311 113.468 -0.157 1
1 1061 . 12 1 1 A 84 84 ASN HA H 84 4.534 5.000 -0.466 1
1 1064 . 12 1 1 A 84 84 ASN CA C 84 56.126 52.043 4.083 1
1 1065 . 12 1 1 A 84 84 ASN CB C 84 41.990 36.595 5.395 1
1 1066 . 12 1 1 A 85 85 ASP H H 85 8.681 7.671 1.010 1
1 1067 . 12 1 1 A 85 85 ASP HA H 85 4.086 4.273 -0.187 1
1 1070 . 12 1 1 A 85 85 ASP CA C 85 58.457 55.641 2.816 1
1 1071 . 12 1 1 A 85 85 ASP CB C 85 42.260 40.651 1.609 1
1 1072 . 12 1 1 A 85 85 ASP N N 85 126.079 123.141 2.938 1
1 1073 . 12 1 1 A 86 86 PHE H H 86 8.672 7.122 1.550 1
1 1074 . 12 1 1 A 86 86 PHE HA H 86 3.744 4.315 -0.571 1
1 1081 . 12 1 1 A 86 86 PHE C C 86 176.827 176.720 0.107 1
1 1082 . 12 1 1 A 86 86 PHE CA C 86 62.903 60.199 2.704 1
1 1083 . 12 1 1 A 86 86 PHE CB C 86 41.596 38.068 3.528 1
1 1084 . 12 1 1 A 86 86 PHE N N 86 121.950 117.477 4.473 1
1 1085 . 12 1 1 A 87 87 PHE H H 87 7.225 7.458 -0.233 1
1 1086 . 12 1 1 A 87 87 PHE HA H 87 3.836 4.907 -1.071 1
1 1093 . 12 1 1 A 87 87 PHE C C 87 176.927 174.844 2.083 1
1 1094 . 12 1 1 A 87 87 PHE CA C 87 60.422 57.216 3.206 1
1 1095 . 12 1 1 A 87 87 PHE CB C 87 41.081 39.446 1.635 1
1 1096 . 12 1 1 A 87 87 PHE N N 87 110.928 116.429 -5.501 1
1 1097 . 12 1 1 A 88 88 LEU H H 88 7.130 7.447 -0.317 1
1 1098 . 12 1 1 A 88 88 LEU HA H 88 4.169 4.808 -0.639 1
1 1108 . 12 1 1 A 88 88 LEU C C 88 175.027 177.112 -2.085 1
1 1109 . 12 1 1 A 88 88 LEU CA C 88 56.962 53.182 3.780 1
1 1110 . 12 1 1 A 88 88 LEU CB C 88 44.199 44.202 -0.003 1
1 1114 . 12 1 1 A 88 88 LEU N N 88 119.732 119.717 0.015 1
1 1115 . 12 1 1 A 89 89 GLU H H 89 8.097 8.727 -0.630 1
1 1116 . 12 1 1 A 89 89 GLU HA H 89 4.087 4.598 -0.511 1
1 1121 . 12 1 1 A 89 89 GLU C C 89 176.427 176.020 0.407 1
1 1122 . 12 1 1 A 89 89 GLU CA C 89 58.216 57.597 0.619 1
1 1123 . 12 1 1 A 89 89 GLU CB C 89 32.309 31.997 0.312 1
1 1125 . 12 1 1 A 89 89 GLU N N 89 121.626 119.093 2.533 1
1 1126 . 12 1 1 A 90 90 ASP H H 90 8.243 7.804 0.439 1
1 1127 . 12 1 1 A 90 90 ASP HA H 90 4.425 5.080 -0.655 1
1 1130 . 12 1 1 A 90 90 ASP C C 90 176.527 174.096 2.431 1
1 1131 . 12 1 1 A 90 90 ASP CA C 90 55.815 52.649 3.166 1
1 1132 . 12 1 1 A 90 90 ASP CB C 90 42.874 44.186 -1.312 1
1 1133 . 12 1 1 A 90 90 ASP N N 90 121.280 116.280 5.000 1
1 1134 . 12 1 1 A 91 91 ASN H H 91 8.267 8.738 -0.471 1
1 1135 . 12 1 1 A 91 91 ASN HA H 91 4.563 4.911 -0.348 1
1 1140 . 12 1 1 A 91 91 ASN C C 91 178.127 174.764 3.363 1
1 1141 . 12 1 1 A 91 91 ASN CA C 91 54.928 52.414 2.514 1
1 1142 . 12 1 1 A 91 91 ASN CB C 91 40.529 37.726 2.803 1
1 1143 . 12 1 1 A 91 91 ASN N N 91 119.209 120.966 -1.757 1
1 14 . 13 1 1 A 2 2 GLU H H 2 8.722 9.122 -0.400 1
1 15 . 13 1 1 A 2 2 GLU HA H 2 4.557 3.925 0.632 1
1 20 . 13 1 1 A 2 2 GLU C C 2 175.827 175.959 -0.132 1
1 21 . 13 1 1 A 2 2 GLU CA C 2 58.063 57.239 0.824 1
1 22 . 13 1 1 A 2 2 GLU CB C 2 33.147 28.230 4.917 1
1 24 . 13 1 1 A 2 2 GLU N N 2 124.627 119.616 5.011 1
1 25 . 13 1 1 A 3 3 THR H H 3 8.670 7.823 0.847 1
1 26 . 13 1 1 A 3 3 THR HA H 3 4.616 4.820 -0.204 1
1 31 . 13 1 1 A 3 3 THR CA C 3 61.734 59.921 1.813 1
1 32 . 13 1 1 A 3 3 THR CB C 3 70.590 69.379 1.211 1
1 34 . 13 1 1 A 3 3 THR N N 3 116.274 109.798 6.476 1
1 35 . 13 1 1 A 4 4 PRO HA H 4 4.161 4.271 -0.110 1
1 42 . 13 1 1 A 4 4 PRO C C 4 172.227 178.170 -5.943 1
1 43 . 13 1 1 A 4 4 PRO CA C 4 68.211 65.899 2.312 1
1 44 . 13 1 1 A 4 4 PRO CB C 4 33.796 31.745 2.051 1
1 47 . 13 1 1 A 5 5 LEU H H 5 9.207 7.682 1.525 1
1 48 . 13 1 1 A 5 5 LEU HA H 5 4.038 4.044 -0.006 1
1 58 . 13 1 1 A 5 5 LEU C C 5 174.327 178.292 -3.965 1
1 59 . 13 1 1 A 5 5 LEU CA C 5 59.483 57.378 2.105 1
1 60 . 13 1 1 A 5 5 LEU CB C 5 43.877 41.640 2.237 1
1 64 . 13 1 1 A 5 5 LEU N N 5 119.157 117.396 1.761 1
1 65 . 13 1 1 A 6 6 GLU H H 6 7.661 8.215 -0.554 1
1 66 . 13 1 1 A 6 6 GLU HA H 6 3.755 3.957 -0.202 1
1 71 . 13 1 1 A 6 6 GLU C C 6 172.727 178.313 -5.586 1
1 72 . 13 1 1 A 6 6 GLU CA C 6 61.953 59.564 2.389 1
1 73 . 13 1 1 A 6 6 GLU CB C 6 31.354 29.351 2.003 1
1 75 . 13 1 1 A 6 6 GLU N N 6 119.837 119.061 0.776 1
1 76 . 13 1 1 A 7 7 LYS H H 7 8.430 7.773 0.657 1
1 77 . 13 1 1 A 7 7 LYS HA H 7 3.921 4.226 -0.305 1
1 86 . 13 1 1 A 7 7 LYS C C 7 172.927 179.471 -6.544 1
1 87 . 13 1 1 A 7 7 LYS CA C 7 61.312 58.010 3.302 1
1 88 . 13 1 1 A 7 7 LYS CB C 7 33.861 32.874 0.987 1
1 92 . 13 1 1 A 7 7 LYS N N 7 119.023 118.066 0.957 1
1 93 . 13 1 1 A 8 8 ALA H H 8 8.079 8.063 0.016 1
1 94 . 13 1 1 A 8 8 ALA HA H 8 4.085 4.010 0.075 1
1 98 . 13 1 1 A 8 8 ALA C C 8 173.027 180.101 -7.074 1
1 99 . 13 1 1 A 8 8 ALA CA C 8 56.967 55.072 1.895 1
1 100 . 13 1 1 A 8 8 ALA CB C 8 20.140 18.485 1.655 1
1 101 . 13 1 1 A 8 8 ALA N N 8 123.824 122.927 0.897 1
1 102 . 13 1 1 A 9 9 LEU H H 9 8.032 8.708 -0.676 1
1 103 . 13 1 1 A 9 9 LEU HA H 9 4.061 3.931 0.130 1
1 113 . 13 1 1 A 9 9 LEU C C 9 172.527 179.447 -6.920 1
1 114 . 13 1 1 A 9 9 LEU CA C 9 60.071 57.975 2.096 1
1 115 . 13 1 1 A 9 9 LEU CB C 9 42.714 41.652 1.062 1
1 119 . 13 1 1 A 9 9 LEU N N 9 118.643 119.152 -0.509 1
1 120 . 13 1 1 A 10 10 THR H H 10 8.686 7.998 0.688 1
1 121 . 13 1 1 A 10 10 THR HA H 10 3.798 3.936 -0.138 1
1 126 . 13 1 1 A 10 10 THR C C 10 175.127 176.806 -1.679 1
1 127 . 13 1 1 A 10 10 THR CA C 10 69.282 66.464 2.818 1
1 128 . 13 1 1 A 10 10 THR CB C 10 70.132 68.176 1.956 1
1 130 . 13 1 1 A 10 10 THR N N 10 117.087 115.926 1.161 1
1 131 . 13 1 1 A 11 11 THR H H 11 8.628 8.287 0.341 1
1 132 . 13 1 1 A 11 11 THR HA H 11 3.961 3.932 0.029 1
1 137 . 13 1 1 A 11 11 THR C C 11 174.427 176.817 -2.390 1
1 138 . 13 1 1 A 11 11 THR CA C 11 68.408 66.823 1.585 1
1 139 . 13 1 1 A 11 11 THR CB C 11 69.107 68.081 1.026 1
1 141 . 13 1 1 A 11 11 THR N N 11 120.770 117.429 3.341 1
1 142 . 13 1 1 A 12 12 MET H H 12 8.390 8.391 -0.001 1
1 143 . 13 1 1 A 12 12 MET HA H 12 3.956 4.428 -0.472 1
1 151 . 13 1 1 A 12 12 MET C C 12 175.127 178.484 -3.357 1
1 152 . 13 1 1 A 12 12 MET CA C 12 62.750 58.394 4.356 1
1 153 . 13 1 1 A 12 12 MET CB C 12 34.952 32.940 2.012 1
1 156 . 13 1 1 A 12 12 MET N N 12 124.388 118.636 5.752 1
1 157 . 13 1 1 A 13 13 VAL H H 13 8.104 8.331 -0.227 1
1 158 . 13 1 1 A 13 13 VAL HA H 13 3.576 3.929 -0.353 1
1 166 . 13 1 1 A 13 13 VAL C C 13 175.327 178.128 -2.801 1
1 167 . 13 1 1 A 13 13 VAL CA C 13 68.958 65.935 3.023 1
1 168 . 13 1 1 A 13 13 VAL CB C 13 33.703 31.325 2.378 1
1 171 . 13 1 1 A 13 13 VAL N N 13 121.753 117.044 4.709 1
1 172 . 13 1 1 A 14 14 THR H H 14 9.186 8.277 0.909 1
1 173 . 13 1 1 A 14 14 THR HA H 14 3.774 3.976 -0.202 1
1 178 . 13 1 1 A 14 14 THR C C 14 173.927 177.033 -3.106 1
1 179 . 13 1 1 A 14 14 THR CA C 14 67.955 66.207 1.748 1
1 180 . 13 1 1 A 14 14 THR CB C 14 70.504 68.736 1.768 1
1 182 . 13 1 1 A 14 14 THR N N 14 114.911 116.227 -1.316 1
1 183 . 13 1 1 A 15 15 THR H H 15 8.453 8.400 0.053 1
1 184 . 13 1 1 A 15 15 THR HA H 15 3.859 4.173 -0.314 1
1 190 . 13 1 1 A 15 15 THR C C 15 178.127 176.746 1.381 1
1 191 . 13 1 1 A 15 15 THR CA C 15 69.609 65.722 3.887 1
1 192 . 13 1 1 A 15 15 THR CB C 15 70.511 68.415 2.096 1
1 194 . 13 1 1 A 15 15 THR N N 15 118.791 112.076 6.715 1
1 195 . 13 1 1 A 16 16 PHE H H 16 7.207 8.357 -1.150 1
1 196 . 13 1 1 A 16 16 PHE HA H 16 3.572 4.024 -0.452 1
1 203 . 13 1 1 A 16 16 PHE C C 16 178.527 177.913 0.614 1
1 204 . 13 1 1 A 16 16 PHE CA C 16 64.090 61.346 2.744 1
1 205 . 13 1 1 A 16 16 PHE CB C 16 41.091 39.275 1.816 1
1 206 . 13 1 1 A 16 16 PHE N N 16 121.331 124.375 -3.044 1
1 207 . 13 1 1 A 17 17 HIS H H 17 8.393 8.443 -0.050 1
1 208 . 13 1 1 A 17 17 HIS HA H 17 5.329 4.332 0.997 1
1 211 . 13 1 1 A 17 17 HIS C C 17 174.627 177.077 -2.450 1
1 212 . 13 1 1 A 17 17 HIS CA C 17 56.667 58.753 -2.086 1
1 213 . 13 1 1 A 17 17 HIS CB C 17 32.397 30.477 1.920 1
1 214 . 13 1 1 A 17 17 HIS N N 17 117.858 118.771 -0.913 1
1 215 . 13 1 1 A 18 18 LYS H H 18 7.767 8.108 -0.341 1
1 216 . 13 1 1 A 18 18 LYS HA H 18 3.553 3.999 -0.446 1
1 225 . 13 1 1 A 18 18 LYS C C 18 175.527 176.997 -1.470 1
1 226 . 13 1 1 A 18 18 LYS CA C 18 61.301 58.843 2.458 1
1 227 . 13 1 1 A 18 18 LYS CB C 18 33.523 32.244 1.279 1
1 231 . 13 1 1 A 18 18 LYS N N 18 120.691 118.889 1.802 1
1 232 . 13 1 1 A 19 19 TYR H H 19 7.079 8.063 -0.984 1
1 233 . 13 1 1 A 19 19 TYR HA H 19 3.993 4.485 -0.492 1
1 240 . 13 1 1 A 19 19 TYR C C 19 174.227 175.950 -1.723 1
1 241 . 13 1 1 A 19 19 TYR CA C 19 61.287 59.175 2.112 1
1 242 . 13 1 1 A 19 19 TYR CB C 19 42.066 39.707 2.359 1
1 243 . 13 1 1 A 19 19 TYR N N 19 114.592 116.138 -1.546 1
1 244 . 13 1 1 A 20 20 SER H H 20 9.708 7.998 1.710 1
1 245 . 13 1 1 A 20 20 SER HA H 20 4.117 4.272 -0.155 1
1 248 . 13 1 1 A 20 20 SER C C 20 175.227 174.322 0.905 1
1 249 . 13 1 1 A 20 20 SER CA C 20 60.135 57.585 2.550 1
1 250 . 13 1 1 A 20 20 SER CB C 20 63.159 60.586 2.573 1
1 251 . 13 1 1 A 20 20 SER N N 20 121.764 113.475 8.289 1
1 252 . 13 1 1 A 21 21 GLY H H 21 8.146 7.522 0.624 1
1 253 . 13 1 1 A 21 21 GLY HA2 H 21 3.956 3.809 0.147 1
1 254 . 13 1 1 A 21 21 GLY HA3 H 21 3.571 4.193 -0.622 1
1 255 . 13 1 1 A 21 21 GLY C C 21 177.927 175.540 2.387 1
1 256 . 13 1 1 A 21 21 GLY CA C 21 46.646 45.046 1.600 1
1 257 . 13 1 1 A 21 21 GLY N N 21 106.982 112.546 -5.564 1
1 258 . 13 1 1 A 22 22 ARG H H 22 7.007 7.762 -0.755 1
1 259 . 13 1 1 A 22 22 ARG HA H 22 3.815 4.182 -0.367 1
1 266 . 13 1 1 A 22 22 ARG C C 22 175.927 176.421 -0.494 1
1 267 . 13 1 1 A 22 22 ARG CA C 22 60.766 58.559 2.207 1
1 268 . 13 1 1 A 22 22 ARG CB C 22 32.302 30.968 1.334 1
1 271 . 13 1 1 A 22 22 ARG N N 22 118.055 119.168 -1.113 1
1 272 . 13 1 1 A 23 23 GLU H H 23 7.551 7.899 -0.348 1
1 273 . 13 1 1 A 23 23 GLU HA H 23 4.436 4.529 -0.093 1
1 278 . 13 1 1 A 23 23 GLU C C 23 177.727 176.830 0.897 1
1 279 . 13 1 1 A 23 23 GLU CA C 23 56.853 55.262 1.591 1
1 280 . 13 1 1 A 23 23 GLU CB C 23 33.988 33.233 0.755 1
1 282 . 13 1 1 A 23 23 GLU N N 23 114.631 116.820 -2.189 1
1 283 . 13 1 1 A 24 24 GLY H H 24 8.376 8.529 -0.153 1
1 284 . 13 1 1 A 24 24 GLY HA2 H 24 3.771 3.958 -0.187 1
1 285 . 13 1 1 A 24 24 GLY HA3 H 24 3.567 4.127 -0.560 1
1 286 . 13 1 1 A 24 24 GLY C C 24 177.127 173.142 3.985 1
1 287 . 13 1 1 A 24 24 GLY CA C 24 47.718 45.793 1.925 1
1 288 . 13 1 1 A 24 24 GLY N N 24 107.626 111.404 -3.778 1
1 289 . 13 1 1 A 25 25 SER H H 25 8.443 7.777 0.666 1
1 290 . 13 1 1 A 25 25 SER HA H 25 4.314 4.602 -0.288 1
1 293 . 13 1 1 A 25 25 SER C C 25 175.527 172.438 3.089 1
1 294 . 13 1 1 A 25 25 SER CA C 25 59.146 56.972 2.174 1
1 295 . 13 1 1 A 25 25 SER CB C 25 65.573 64.911 0.662 1
1 296 . 13 1 1 A 25 25 SER N N 25 119.000 115.755 3.245 1
1 297 . 13 1 1 A 26 26 LYS H H 26 8.821 8.602 0.219 1
1 298 . 13 1 1 A 26 26 LYS HA H 26 4.307 4.399 -0.092 1
1 307 . 13 1 1 A 26 26 LYS C C 26 176.027 177.184 -1.157 1
1 308 . 13 1 1 A 26 26 LYS CA C 26 59.180 56.854 2.326 1
1 309 . 13 1 1 A 26 26 LYS CB C 26 33.211 32.639 0.572 1
1 313 . 13 1 1 A 26 26 LYS N N 26 126.125 126.151 -0.026 1
1 314 . 13 1 1 A 27 27 LEU H H 27 8.237 7.642 0.595 1
1 315 . 13 1 1 A 27 27 LEU HA H 27 4.534 5.047 -0.513 1
1 325 . 13 1 1 A 27 27 LEU C C 27 175.627 176.493 -0.866 1
1 326 . 13 1 1 A 27 27 LEU CA C 27 56.384 54.995 1.389 1
1 327 . 13 1 1 A 27 27 LEU CB C 27 44.218 44.411 -0.193 1
1 331 . 13 1 1 A 27 27 LEU N N 27 117.484 117.854 -0.370 1
1 332 . 13 1 1 A 28 28 THR H H 28 7.386 7.654 -0.268 1
1 333 . 13 1 1 A 28 28 THR HA H 28 5.517 5.495 0.022 1
1 338 . 13 1 1 A 28 28 THR C C 28 180.227 172.559 7.668 1
1 339 . 13 1 1 A 28 28 THR CA C 28 61.014 60.266 0.748 1
1 340 . 13 1 1 A 28 28 THR CB C 28 75.348 72.934 2.414 1
1 342 . 13 1 1 A 28 28 THR N N 28 106.230 109.859 -3.629 1
1 343 . 13 1 1 A 29 29 LEU H H 29 8.721 8.837 -0.116 1
1 344 . 13 1 1 A 29 29 LEU HA H 29 4.713 4.727 -0.014 1
1 354 . 13 1 1 A 29 29 LEU C C 29 176.927 174.677 2.250 1
1 355 . 13 1 1 A 29 29 LEU CA C 29 55.163 53.655 1.508 1
1 356 . 13 1 1 A 29 29 LEU CB C 29 46.059 44.491 1.568 1
1 360 . 13 1 1 A 29 29 LEU N N 29 116.728 118.112 -1.384 1
1 361 . 13 1 1 A 30 30 SER H H 30 8.866 8.586 0.280 1
1 362 . 13 1 1 A 30 30 SER HA H 30 4.942 4.874 0.068 1
1 365 . 13 1 1 A 30 30 SER C C 30 176.327 175.717 0.610 1
1 366 . 13 1 1 A 30 30 SER CA C 30 59.032 57.944 1.088 1
1 367 . 13 1 1 A 30 30 SER CB C 30 67.150 63.943 3.207 1
1 368 . 13 1 1 A 30 30 SER N N 30 117.110 116.458 0.652 1
1 369 . 13 1 1 A 31 31 ARG H H 31 8.393 8.455 -0.062 1
1 370 . 13 1 1 A 31 31 ARG HA H 31 3.695 3.972 -0.277 1
1 377 . 13 1 1 A 31 31 ARG C C 31 174.127 178.684 -4.557 1
1 378 . 13 1 1 A 31 31 ARG CA C 31 62.776 59.547 3.229 1
1 379 . 13 1 1 A 31 31 ARG CB C 31 31.601 29.725 1.876 1
1 382 . 13 1 1 A 31 31 ARG N N 31 121.109 126.924 -5.815 1
1 383 . 13 1 1 A 32 32 LYS H H 32 8.264 8.170 0.094 1
1 384 . 13 1 1 A 32 32 LYS HA H 32 3.912 3.930 -0.018 1
1 393 . 13 1 1 A 32 32 LYS C C 32 172.827 178.480 -5.653 1
1 394 . 13 1 1 A 32 32 LYS CA C 32 61.591 59.355 2.236 1
1 395 . 13 1 1 A 32 32 LYS CB C 32 34.116 32.211 1.905 1
1 399 . 13 1 1 A 32 32 LYS N N 32 118.536 119.992 -1.456 1
1 400 . 13 1 1 A 33 33 GLU H H 33 7.790 8.090 -0.300 1
1 401 . 13 1 1 A 33 33 GLU HA H 33 4.049 3.929 0.120 1
1 406 . 13 1 1 A 33 33 GLU C C 33 174.327 178.470 -4.143 1
1 407 . 13 1 1 A 33 33 GLU CA C 33 60.634 58.916 1.718 1
1 408 . 13 1 1 A 33 33 GLU CB C 33 31.617 29.938 1.679 1
1 410 . 13 1 1 A 33 33 GLU N N 33 121.557 119.159 2.398 1
1 411 . 13 1 1 A 34 34 LEU H H 34 8.388 7.743 0.645 1
1 412 . 13 1 1 A 34 34 LEU HA H 34 3.844 3.844 0.000 1
1 422 . 13 1 1 A 34 34 LEU C C 34 174.927 178.351 -3.424 1
1 423 . 13 1 1 A 34 34 LEU CA C 34 59.173 58.093 1.080 1
1 424 . 13 1 1 A 34 34 LEU CB C 34 42.053 41.467 0.586 1
1 428 . 13 1 1 A 34 34 LEU N N 34 120.999 121.902 -0.903 1
1 429 . 13 1 1 A 35 35 LYS H H 35 7.817 7.792 0.025 1
1 430 . 13 1 1 A 35 35 LYS HA H 35 3.478 3.772 -0.294 1
1 439 . 13 1 1 A 35 35 LYS C C 35 174.627 178.240 -3.613 1
1 440 . 13 1 1 A 35 35 LYS CA C 35 62.312 59.500 2.812 1
1 441 . 13 1 1 A 35 35 LYS CB C 35 33.814 32.154 1.660 1
1 445 . 13 1 1 A 35 35 LYS N N 35 118.738 118.750 -0.012 1
1 446 . 13 1 1 A 36 36 GLU H H 36 7.208 7.888 -0.680 1
1 447 . 13 1 1 A 36 36 GLU HA H 36 3.801 4.126 -0.325 1
1 452 . 13 1 1 A 36 36 GLU C C 36 175.227 178.508 -3.281 1
1 453 . 13 1 1 A 36 36 GLU CA C 36 61.015 58.792 2.223 1
1 454 . 13 1 1 A 36 36 GLU CB C 36 30.770 29.436 1.334 1
1 456 . 13 1 1 A 36 36 GLU N N 36 118.771 118.717 0.054 1
1 457 . 13 1 1 A 37 37 LEU H H 37 8.038 8.107 -0.069 1
1 458 . 13 1 1 A 37 37 LEU HA H 37 3.178 3.756 -0.578 1
1 468 . 13 1 1 A 37 37 LEU C C 37 172.927 178.338 -5.411 1
1 469 . 13 1 1 A 37 37 LEU CA C 37 60.915 57.959 2.956 1
1 470 . 13 1 1 A 37 37 LEU CB C 37 43.352 41.325 2.027 1
1 474 . 13 1 1 A 37 37 LEU N N 37 121.767 120.865 0.902 1
1 475 . 13 1 1 A 38 38 ILE H H 38 8.224 7.995 0.229 1
1 476 . 13 1 1 A 38 38 ILE HA H 38 3.234 3.743 -0.509 1
1 486 . 13 1 1 A 38 38 ILE C C 38 174.727 177.985 -3.258 1
1 487 . 13 1 1 A 38 38 ILE CA C 38 66.464 64.299 2.165 1
1 488 . 13 1 1 A 38 38 ILE CB C 38 38.799 37.527 1.272 1
1 492 . 13 1 1 A 38 38 ILE N N 38 119.417 119.571 -0.154 1
1 493 . 13 1 1 A 39 39 LYS H H 39 7.700 7.677 0.023 1
1 494 . 13 1 1 A 39 39 LYS HA H 39 3.894 4.280 -0.386 1
1 503 . 13 1 1 A 39 39 LYS C C 39 173.727 178.192 -4.465 1
1 504 . 13 1 1 A 39 39 LYS CA C 39 61.015 58.119 2.896 1
1 505 . 13 1 1 A 39 39 LYS CB C 39 34.100 32.863 1.237 1
1 509 . 13 1 1 A 39 39 LYS N N 39 117.277 121.756 -4.479 1
1 510 . 13 1 1 A 40 40 LYS H H 40 8.170 8.084 0.086 1
1 511 . 13 1 1 A 40 40 LYS HA H 40 4.226 4.353 -0.127 1
1 520 . 13 1 1 A 40 40 LYS C C 40 173.427 178.779 -5.352 1
1 521 . 13 1 1 A 40 40 LYS CA C 40 59.251 57.776 1.475 1
1 522 . 13 1 1 A 40 40 LYS CB C 40 35.528 33.631 1.897 1
1 526 . 13 1 1 A 40 40 LYS N N 40 115.146 117.973 -2.827 1
1 527 . 13 1 1 A 41 41 GLU H H 41 8.778 7.991 0.787 1
1 528 . 13 1 1 A 41 41 GLU HA H 41 4.629 4.188 0.441 1
1 533 . 13 1 1 A 41 41 GLU C C 41 175.527 176.824 -1.297 1
1 534 . 13 1 1 A 41 41 GLU CA C 41 57.177 59.026 -1.849 1
1 535 . 13 1 1 A 41 41 GLU CB C 41 31.656 29.839 1.817 1
1 537 . 13 1 1 A 41 41 GLU N N 41 113.604 119.588 -5.984 1
1 538 . 13 1 1 A 42 42 LEU H H 42 7.610 7.536 0.074 1
1 539 . 13 1 1 A 42 42 LEU HA H 42 4.475 4.448 0.027 1
1 549 . 13 1 1 A 42 42 LEU C C 42 177.227 176.071 1.156 1
1 550 . 13 1 1 A 42 42 LEU CA C 42 56.047 53.929 2.118 1
1 551 . 13 1 1 A 42 42 LEU CB C 42 45.748 40.007 5.741 1
1 555 . 13 1 1 A 42 42 LEU N N 42 118.997 120.461 -1.464 1
1 556 . 13 1 1 A 43 43 CYS H H 43 8.501 8.370 0.131 1
1 557 . 13 1 1 A 43 43 CYS HA H 43 4.397 4.574 -0.177 1
1 560 . 13 1 1 A 43 43 CYS C C 43 177.327 175.412 1.915 1
1 561 . 13 1 1 A 43 43 CYS CA C 43 60.023 57.910 2.113 1
1 562 . 13 1 1 A 43 43 CYS CB C 43 27.915 26.156 1.759 1
1 563 . 13 1 1 A 43 43 CYS N N 43 119.622 123.503 -3.881 1
1 564 . 13 1 1 A 44 44 LEU H H 44 8.200 8.060 0.140 1
1 565 . 13 1 1 A 44 44 LEU HA H 44 3.979 4.237 -0.258 1
1 575 . 13 1 1 A 44 44 LEU C C 44 173.927 176.837 -2.910 1
1 576 . 13 1 1 A 44 44 LEU CA C 44 57.244 55.005 2.239 1
1 577 . 13 1 1 A 44 44 LEU CB C 44 43.622 42.291 1.331 1
1 581 . 13 1 1 A 44 44 LEU N N 44 121.955 126.383 -4.428 1
1 582 . 13 1 1 A 45 45 GLY H H 45 8.244 7.934 0.310 1
1 583 . 13 1 1 A 45 45 GLY HA2 H 45 3.849 3.894 -0.045 1
1 584 . 13 1 1 A 45 45 GLY HA3 H 45 3.789 4.042 -0.253 1
1 585 . 13 1 1 A 45 45 GLY C C 45 178.027 174.432 3.595 1
1 586 . 13 1 1 A 45 45 GLY CA C 45 47.023 47.325 -0.302 1
1 587 . 13 1 1 A 45 45 GLY N N 45 107.702 106.437 1.265 1
1 588 . 13 1 1 A 46 46 GLU H H 46 8.286 8.410 -0.124 1
1 589 . 13 1 1 A 46 46 GLU HA H 46 4.039 4.745 -0.706 1
1 594 . 13 1 1 A 46 46 GLU C C 46 175.127 176.663 -1.536 1
1 595 . 13 1 1 A 46 46 GLU CA C 46 59.176 55.569 3.607 1
1 596 . 13 1 1 A 46 46 GLU CB C 46 31.361 29.816 1.545 1
1 598 . 13 1 1 A 46 46 GLU N N 46 119.602 121.826 -2.224 1
1 599 . 13 1 1 A 47 47 MET H H 47 8.048 8.190 -0.142 1
1 600 . 13 1 1 A 47 47 MET HA H 47 4.229 4.319 -0.090 1
1 608 . 13 1 1 A 47 47 MET C C 47 175.727 177.021 -1.294 1
1 609 . 13 1 1 A 47 47 MET CA C 47 58.183 56.941 1.242 1
1 610 . 13 1 1 A 47 47 MET CB C 47 34.087 31.866 2.221 1
1 613 . 13 1 1 A 47 47 MET N N 47 119.617 120.042 -0.425 1
1 614 . 13 1 1 A 48 48 LYS H H 48 8.221 7.733 0.488 1
1 615 . 13 1 1 A 48 48 LYS HA H 48 4.217 4.166 0.051 1
1 624 . 13 1 1 A 48 48 LYS C C 48 174.927 176.065 -1.138 1
1 625 . 13 1 1 A 48 48 LYS CA C 48 58.304 58.333 -0.029 1
1 626 . 13 1 1 A 48 48 LYS CB C 48 34.548 31.935 2.613 1
1 630 . 13 1 1 A 48 48 LYS N N 48 120.987 118.855 2.132 1
1 631 . 13 1 1 A 49 49 GLU H H 49 8.346 8.158 0.188 1
1 632 . 13 1 1 A 49 49 GLU HA H 49 3.922 4.288 -0.366 1
1 637 . 13 1 1 A 49 49 GLU C C 49 174.427 174.999 -0.572 1
1 638 . 13 1 1 A 49 49 GLU CA C 49 60.298 58.650 1.648 1
1 639 . 13 1 1 A 49 49 GLU CB C 49 31.065 29.167 1.898 1
1 641 . 13 1 1 A 49 49 GLU N N 49 121.867 120.345 1.522 1
1 642 . 13 1 1 A 50 50 SER H H 50 8.348 8.257 0.091 1
1 643 . 13 1 1 A 50 50 SER HA H 50 4.172 4.760 -0.588 1
1 647 . 13 1 1 A 50 50 SER C C 50 176.027 173.829 2.198 1
1 648 . 13 1 1 A 50 50 SER CA C 50 62.548 55.525 7.023 1
1 649 . 13 1 1 A 50 50 SER CB C 50 64.840 65.423 -0.583 1
1 650 . 13 1 1 A 50 50 SER N N 50 115.695 120.868 -5.173 1
1 651 . 13 1 1 A 51 51 SER H H 51 7.980 8.877 -0.897 1
1 652 . 13 1 1 A 51 51 SER HA H 51 4.258 4.390 -0.132 1
1 655 . 13 1 1 A 51 51 SER C C 51 174.427 174.521 -0.094 1
1 656 . 13 1 1 A 51 51 SER CA C 51 62.828 60.284 2.544 1
1 657 . 13 1 1 A 51 51 SER CB C 51 64.749 62.850 1.899 1
1 658 . 13 1 1 A 51 51 SER N N 51 117.126 117.855 -0.729 1
1 659 . 13 1 1 A 52 52 ILE H H 52 7.365 8.475 -1.110 1
1 660 . 13 1 1 A 52 52 ILE HA H 52 4.038 3.987 0.051 1
1 670 . 13 1 1 A 52 52 ILE C C 52 175.627 176.676 -1.049 1
1 671 . 13 1 1 A 52 52 ILE CA C 52 64.609 63.658 0.951 1
1 672 . 13 1 1 A 52 52 ILE CB C 52 39.272 37.510 1.762 1
1 676 . 13 1 1 A 52 52 ILE N N 52 117.484 117.597 -0.113 1
1 677 . 13 1 1 A 53 53 ASP H H 53 7.681 8.173 -0.492 1
1 678 . 13 1 1 A 53 53 ASP HA H 53 4.214 4.513 -0.299 1
1 681 . 13 1 1 A 53 53 ASP C C 53 174.027 178.176 -4.149 1
1 682 . 13 1 1 A 53 53 ASP CA C 53 59.799 56.430 3.369 1
1 683 . 13 1 1 A 53 53 ASP CB C 53 42.927 40.958 1.969 1
1 684 . 13 1 1 A 53 53 ASP N N 53 121.969 121.737 0.232 1
1 685 . 13 1 1 A 54 54 ASP H H 54 8.227 7.850 0.377 1
1 686 . 13 1 1 A 54 54 ASP HA H 54 4.231 4.414 -0.183 1
1 689 . 13 1 1 A 54 54 ASP C C 54 172.927 178.698 -5.771 1
1 690 . 13 1 1 A 54 54 ASP CA C 54 59.507 57.108 2.399 1
1 691 . 13 1 1 A 54 54 ASP CB C 54 41.818 40.927 0.891 1
1 692 . 13 1 1 A 54 54 ASP N N 54 118.083 119.320 -1.237 1
1 693 . 13 1 1 A 55 55 LEU H H 55 7.650 7.961 -0.311 1
1 694 . 13 1 1 A 55 55 LEU HA H 55 4.016 4.076 -0.060 1
1 704 . 13 1 1 A 55 55 LEU C C 55 171.927 179.161 -7.234 1
1 705 . 13 1 1 A 55 55 LEU CA C 55 59.965 58.136 1.829 1
1 706 . 13 1 1 A 55 55 LEU CB C 55 43.370 41.355 2.015 1
1 710 . 13 1 1 A 55 55 LEU N N 55 121.634 120.104 1.530 1
1 711 . 13 1 1 A 56 56 MET H H 56 8.429 8.697 -0.268 1
1 712 . 13 1 1 A 56 56 MET HA H 56 4.325 4.127 0.198 1
1 720 . 13 1 1 A 56 56 MET C C 56 172.527 178.125 -5.598 1
1 721 . 13 1 1 A 56 56 MET CA C 56 59.221 59.356 -0.135 1
1 722 . 13 1 1 A 56 56 MET CB C 56 34.106 32.782 1.324 1
1 725 . 13 1 1 A 56 56 MET N N 56 118.696 117.446 1.250 1
1 726 . 13 1 1 A 57 57 LYS H H 57 8.249 7.636 0.613 1
1 727 . 13 1 1 A 57 57 LYS HA H 57 3.996 4.115 -0.119 1
1 736 . 13 1 1 A 57 57 LYS C C 57 172.527 178.766 -6.239 1
1 737 . 13 1 1 A 57 57 LYS CA C 57 60.872 58.804 2.068 1
1 738 . 13 1 1 A 57 57 LYS CB C 57 33.853 32.065 1.788 1
1 742 . 13 1 1 A 57 57 LYS N N 57 119.855 120.184 -0.329 1
1 743 . 13 1 1 A 58 58 SER H H 58 7.729 8.423 -0.694 1
1 744 . 13 1 1 A 58 58 SER HA H 58 4.125 4.382 -0.257 1
1 747 . 13 1 1 A 58 58 SER C C 58 176.527 176.729 -0.202 1
1 748 . 13 1 1 A 58 58 SER CA C 58 63.029 61.730 1.299 1
1 749 . 13 1 1 A 58 58 SER CB C 58 64.686 63.205 1.481 1
1 750 . 13 1 1 A 58 58 SER N N 58 115.984 116.246 -0.262 1
1 751 . 13 1 1 A 59 59 LEU H H 59 7.288 8.095 -0.807 1
1 752 . 13 1 1 A 59 59 LEU HA H 59 4.058 3.811 0.247 1
1 762 . 13 1 1 A 59 59 LEU C C 59 175.827 177.586 -1.759 1
1 763 . 13 1 1 A 59 59 LEU CA C 59 57.364 58.056 -0.692 1
1 764 . 13 1 1 A 59 59 LEU CB C 59 42.712 41.538 1.174 1
1 768 . 13 1 1 A 59 59 LEU N N 59 120.622 122.126 -1.504 1
1 769 . 13 1 1 A 60 60 ASP H H 60 7.431 8.108 -0.677 1
1 770 . 13 1 1 A 60 60 ASP HA H 60 4.386 4.496 -0.110 1
1 773 . 13 1 1 A 60 60 ASP C C 60 175.927 177.224 -1.297 1
1 774 . 13 1 1 A 60 60 ASP CA C 60 57.012 55.082 1.930 1
1 775 . 13 1 1 A 60 60 ASP CB C 60 42.351 40.289 2.062 1
1 776 . 13 1 1 A 60 60 ASP N N 60 116.755 118.414 -1.659 1
1 777 . 13 1 1 A 61 61 LYS H H 61 7.243 7.959 -0.716 1
1 778 . 13 1 1 A 61 61 LYS HA H 61 4.223 4.039 0.184 1
1 787 . 13 1 1 A 61 61 LYS C C 61 176.527 178.327 -1.800 1
1 788 . 13 1 1 A 61 61 LYS CA C 61 57.287 59.111 -1.824 1
1 789 . 13 1 1 A 61 61 LYS CB C 61 34.683 32.737 1.946 1
1 793 . 13 1 1 A 61 61 LYS N N 61 119.913 120.097 -0.184 1
1 794 . 13 1 1 A 62 62 ASN H H 62 8.725 8.164 0.561 1
1 795 . 13 1 1 A 62 62 ASN HA H 62 4.462 4.788 -0.326 1
1 800 . 13 1 1 A 62 62 ASN C C 62 175.627 176.041 -0.414 1
1 801 . 13 1 1 A 62 62 ASN CA C 62 55.452 53.819 1.633 1
1 802 . 13 1 1 A 62 62 ASN CB C 62 39.336 39.757 -0.421 1
1 803 . 13 1 1 A 62 62 ASN N N 62 120.247 115.823 4.424 1
1 805 . 13 1 1 A 63 63 SER H H 63 8.061 7.919 0.142 1
1 806 . 13 1 1 A 63 63 SER HA H 63 3.957 4.639 -0.682 1
1 809 . 13 1 1 A 63 63 SER C C 63 174.827 173.794 1.033 1
1 810 . 13 1 1 A 63 63 SER CA C 63 62.954 60.215 2.739 1
1 811 . 13 1 1 A 63 63 SER CB C 63 65.586 62.883 2.703 1
1 812 . 13 1 1 A 63 63 SER N N 63 113.249 114.218 -0.969 1
1 813 . 13 1 1 A 64 64 ASP H H 64 8.408 8.732 -0.324 1
1 814 . 13 1 1 A 64 64 ASP HA H 64 4.573 5.037 -0.464 1
1 817 . 13 1 1 A 64 64 ASP C C 64 176.027 174.982 1.045 1
1 818 . 13 1 1 A 64 64 ASP CA C 64 55.789 53.919 1.870 1
1 819 . 13 1 1 A 64 64 ASP CB C 64 42.365 41.588 0.777 1
1 820 . 13 1 1 A 64 64 ASP N N 64 117.587 119.246 -1.659 1
1 821 . 13 1 1 A 65 65 GLN H H 65 7.779 7.592 0.187 1
1 822 . 13 1 1 A 65 65 GLN HA H 65 4.026 4.895 -0.869 1
1 829 . 13 1 1 A 65 65 GLN C C 65 176.827 174.607 2.220 1
1 830 . 13 1 1 A 65 65 GLN CA C 65 58.241 53.788 4.453 1
1 831 . 13 1 1 A 65 65 GLN CB C 65 31.309 32.160 -0.851 1
1 833 . 13 1 1 A 65 65 GLN N N 65 121.059 115.465 5.594 1
1 835 . 13 1 1 A 66 66 GLU H H 66 8.365 8.449 -0.084 1
1 836 . 13 1 1 A 66 66 GLU HA H 66 4.320 4.862 -0.542 1
1 841 . 13 1 1 A 66 66 GLU C C 66 176.227 176.624 -0.397 1
1 842 . 13 1 1 A 66 66 GLU CA C 66 58.238 56.752 1.486 1
1 843 . 13 1 1 A 66 66 GLU CB C 66 32.567 30.299 2.268 1
1 845 . 13 1 1 A 66 66 GLU N N 66 123.061 120.806 2.255 1
1 846 . 13 1 1 A 67 67 ILE H H 67 9.350 9.133 0.217 1
1 847 . 13 1 1 A 67 67 ILE HA H 67 4.543 4.987 -0.444 1
1 857 . 13 1 1 A 67 67 ILE C C 67 178.127 175.131 2.996 1
1 858 . 13 1 1 A 67 67 ILE CA C 67 61.173 58.798 2.375 1
1 859 . 13 1 1 A 67 67 ILE CB C 67 41.460 41.921 -0.461 1
1 863 . 13 1 1 A 67 67 ILE N N 67 121.809 118.983 2.826 1
1 864 . 13 1 1 A 68 68 ASP H H 68 8.140 8.436 -0.296 1
1 865 . 13 1 1 A 68 68 ASP HA H 68 5.408 4.941 0.467 1
1 868 . 13 1 1 A 68 68 ASP C C 68 176.127 177.984 -1.857 1
1 869 . 13 1 1 A 68 68 ASP CA C 68 53.471 52.081 1.390 1
1 870 . 13 1 1 A 68 68 ASP CB C 68 43.898 41.523 2.375 1
1 871 . 13 1 1 A 68 68 ASP N N 68 122.626 122.336 0.290 1
1 872 . 13 1 1 A 69 69 PHE H H 69 9.486 8.367 1.119 1
1 873 . 13 1 1 A 69 69 PHE HA H 69 3.397 3.636 -0.239 1
1 880 . 13 1 1 A 69 69 PHE C C 69 174.727 177.450 -2.723 1
1 881 . 13 1 1 A 69 69 PHE CA C 69 63.764 60.143 3.621 1
1 882 . 13 1 1 A 69 69 PHE CB C 69 42.009 37.833 4.176 1
1 883 . 13 1 1 A 69 69 PHE N N 69 118.584 118.324 0.260 1
1 884 . 13 1 1 A 70 70 LYS H H 70 7.510 8.019 -0.509 1
1 885 . 13 1 1 A 70 70 LYS HA H 70 3.633 4.122 -0.489 1
1 894 . 13 1 1 A 70 70 LYS C C 70 173.627 179.372 -5.745 1
1 895 . 13 1 1 A 70 70 LYS CA C 70 61.940 59.469 2.471 1
1 896 . 13 1 1 A 70 70 LYS CB C 70 33.189 32.147 1.042 1
1 900 . 13 1 1 A 70 70 LYS N N 70 117.327 121.271 -3.944 1
1 901 . 13 1 1 A 71 71 GLU H H 71 8.151 8.318 -0.167 1
1 902 . 13 1 1 A 71 71 GLU HA H 71 3.930 4.059 -0.129 1
1 907 . 13 1 1 A 71 71 GLU C C 71 173.127 178.683 -5.556 1
1 908 . 13 1 1 A 71 71 GLU CA C 71 61.000 59.214 1.786 1
1 909 . 13 1 1 A 71 71 GLU CB C 71 31.639 29.468 2.171 1
1 911 . 13 1 1 A 71 71 GLU N N 71 120.925 119.076 1.849 1
1 912 . 13 1 1 A 72 72 TYR H H 72 8.454 8.112 0.342 1
1 913 . 13 1 1 A 72 72 TYR HA H 72 4.047 4.366 -0.319 1
1 920 . 13 1 1 A 72 72 TYR C C 72 177.227 177.717 -0.490 1
1 921 . 13 1 1 A 72 72 TYR CA C 72 62.068 61.062 1.006 1
1 922 . 13 1 1 A 72 72 TYR CB C 72 39.522 38.731 0.791 1
1 923 . 13 1 1 A 72 72 TYR N N 72 123.271 122.509 0.762 1
1 924 . 13 1 1 A 73 73 SER H H 73 7.990 8.086 -0.096 1
1 925 . 13 1 1 A 73 73 SER HA H 73 3.245 3.847 -0.602 1
1 928 . 13 1 1 A 73 73 SER C C 73 174.327 176.622 -2.295 1
1 929 . 13 1 1 A 73 73 SER CA C 73 62.841 61.408 1.433 1
1 930 . 13 1 1 A 73 73 SER CB C 73 64.317 62.787 1.530 1
1 931 . 13 1 1 A 73 73 SER N N 73 115.432 114.418 1.014 1
1 932 . 13 1 1 A 74 74 VAL H H 74 8.112 8.199 -0.087 1
1 933 . 13 1 1 A 74 74 VAL HA H 74 3.375 3.742 -0.367 1
1 941 . 13 1 1 A 74 74 VAL C C 74 174.427 178.073 -3.646 1
1 942 . 13 1 1 A 74 74 VAL CA C 74 68.677 65.850 2.827 1
1 943 . 13 1 1 A 74 74 VAL CB C 74 33.164 31.489 1.675 1
1 946 . 13 1 1 A 74 74 VAL N N 74 123.807 119.590 4.217 1
1 947 . 13 1 1 A 75 75 PHE H H 75 8.149 7.801 0.348 1
1 948 . 13 1 1 A 75 75 PHE HA H 75 3.878 4.216 -0.338 1
1 955 . 13 1 1 A 75 75 PHE C C 75 174.627 176.897 -2.270 1
1 956 . 13 1 1 A 75 75 PHE CA C 75 64.444 61.312 3.132 1
1 957 . 13 1 1 A 75 75 PHE CB C 75 40.823 39.000 1.823 1
1 958 . 13 1 1 A 75 75 PHE N N 75 122.351 124.079 -1.728 1
1 959 . 13 1 1 A 76 76 LEU H H 76 8.141 8.597 -0.456 1
1 960 . 13 1 1 A 76 76 LEU HA H 76 3.648 3.945 -0.297 1
1 970 . 13 1 1 A 76 76 LEU C C 76 173.327 179.201 -5.874 1
1 971 . 13 1 1 A 76 76 LEU CA C 76 59.810 58.141 1.669 1
1 972 . 13 1 1 A 76 76 LEU CB C 76 42.994 41.425 1.569 1
1 976 . 13 1 1 A 76 76 LEU N N 76 116.801 119.578 -2.777 1
1 977 . 13 1 1 A 77 77 THR H H 77 8.005 8.085 -0.080 1
1 978 . 13 1 1 A 77 77 THR HA H 77 3.561 3.793 -0.232 1
1 984 . 13 1 1 A 77 77 THR C C 77 176.427 175.873 0.554 1
1 985 . 13 1 1 A 77 77 THR CA C 77 69.876 66.603 3.273 1
1 986 . 13 1 1 A 77 77 THR CB C 77 71.163 67.749 3.414 1
1 988 . 13 1 1 A 77 77 THR N N 77 116.415 116.087 0.328 1
1 989 . 13 1 1 A 78 78 MET H H 78 8.059 7.809 0.250 1
1 990 . 13 1 1 A 78 78 MET HA H 78 3.771 4.110 -0.339 1
1 995 . 13 1 1 A 78 78 MET C C 78 172.927 178.559 -5.632 1
1 996 . 13 1 1 A 78 78 MET CA C 78 60.751 57.888 2.863 1
1 997 . 13 1 1 A 78 78 MET CB C 78 33.255 31.811 1.444 1
1 999 . 13 1 1 A 78 78 MET N N 78 120.960 119.638 1.322 1
1 1000 . 13 1 1 A 79 79 LEU H H 79 8.007 8.166 -0.159 1
1 1001 . 13 1 1 A 79 79 LEU HA H 79 3.646 3.926 -0.280 1
1 1011 . 13 1 1 A 79 79 LEU C C 79 174.527 178.021 -3.494 1
1 1012 . 13 1 1 A 79 79 LEU CA C 79 59.756 57.845 1.911 1
1 1013 . 13 1 1 A 79 79 LEU CB C 79 42.961 41.563 1.398 1
1 1017 . 13 1 1 A 79 79 LEU N N 79 120.772 120.468 0.304 1
1 1018 . 13 1 1 A 80 80 CYS H H 80 8.268 8.089 0.179 1
1 1019 . 13 1 1 A 80 80 CYS HA H 80 3.344 3.231 0.113 1
1 1022 . 13 1 1 A 80 80 CYS C C 80 176.127 176.548 -0.421 1
1 1023 . 13 1 1 A 80 80 CYS CA C 80 64.083 62.382 1.701 1
1 1024 . 13 1 1 A 80 80 CYS CB C 80 28.199 26.597 1.602 1
1 1025 . 13 1 1 A 80 80 CYS N N 80 118.257 118.040 0.217 1
1 1026 . 13 1 1 A 81 81 MET H H 81 7.600 7.955 -0.355 1
1 1027 . 13 1 1 A 81 81 MET HA H 81 3.242 4.134 -0.892 1
1 1035 . 13 1 1 A 81 81 MET C C 81 176.227 177.955 -1.728 1
1 1036 . 13 1 1 A 81 81 MET CA C 81 60.091 57.590 2.501 1
1 1037 . 13 1 1 A 81 81 MET CB C 81 34.090 32.318 1.772 1
1 1040 . 13 1 1 A 81 81 MET N N 81 114.515 120.325 -5.810 1
1 1041 . 13 1 1 A 82 82 ALA H H 82 7.299 7.230 0.069 1
1 1042 . 13 1 1 A 82 82 ALA HA H 82 4.121 4.082 0.039 1
1 1046 . 13 1 1 A 82 82 ALA C C 82 173.827 177.443 -3.616 1
1 1047 . 13 1 1 A 82 82 ALA CA C 82 54.930 54.009 0.921 1
1 1048 . 13 1 1 A 82 82 ALA CB C 82 20.641 18.385 2.256 1
1 1049 . 13 1 1 A 82 82 ALA N N 82 118.977 120.985 -2.008 1
1 1050 . 13 1 1 A 83 83 TYR H H 83 7.623 7.007 0.616 1
1 1051 . 13 1 1 A 83 83 TYR HA H 83 4.771 4.833 -0.062 1
1 1058 . 13 1 1 A 83 83 TYR CA C 83 59.333 57.239 2.094 1
1 1059 . 13 1 1 A 83 83 TYR CB C 83 41.599 39.866 1.733 1
1 1060 . 13 1 1 A 83 83 TYR N N 83 113.311 113.185 0.126 1
1 1061 . 13 1 1 A 84 84 ASN HA H 84 4.534 4.738 -0.204 1
1 1064 . 13 1 1 A 84 84 ASN CA C 84 56.126 54.904 1.222 1
1 1065 . 13 1 1 A 84 84 ASN CB C 84 41.990 38.562 3.428 1
1 1066 . 13 1 1 A 85 85 ASP H H 85 8.681 8.744 -0.063 1
1 1067 . 13 1 1 A 85 85 ASP HA H 85 4.086 4.420 -0.334 1
1 1070 . 13 1 1 A 85 85 ASP CA C 85 58.457 56.191 2.266 1
1 1071 . 13 1 1 A 85 85 ASP CB C 85 42.260 39.330 2.930 1
1 1072 . 13 1 1 A 85 85 ASP N N 85 126.079 118.800 7.279 1
1 1073 . 13 1 1 A 86 86 PHE H H 86 8.672 8.052 0.620 1
1 1074 . 13 1 1 A 86 86 PHE HA H 86 3.744 4.359 -0.615 1
1 1081 . 13 1 1 A 86 86 PHE C C 86 176.827 177.003 -0.176 1
1 1082 . 13 1 1 A 86 86 PHE CA C 86 62.903 60.175 2.728 1
1 1083 . 13 1 1 A 86 86 PHE CB C 86 41.596 38.069 3.527 1
1 1084 . 13 1 1 A 86 86 PHE N N 86 121.950 117.353 4.597 1
1 1085 . 13 1 1 A 87 87 PHE H H 87 7.225 7.672 -0.447 1
1 1086 . 13 1 1 A 87 87 PHE HA H 87 3.836 4.628 -0.792 1
1 1093 . 13 1 1 A 87 87 PHE C C 87 176.927 175.299 1.628 1
1 1094 . 13 1 1 A 87 87 PHE CA C 87 60.422 58.245 2.177 1
1 1095 . 13 1 1 A 87 87 PHE CB C 87 41.081 39.594 1.487 1
1 1096 . 13 1 1 A 87 87 PHE N N 87 110.928 116.701 -5.773 1
1 1097 . 13 1 1 A 88 88 LEU H H 88 7.130 7.875 -0.745 1
1 1098 . 13 1 1 A 88 88 LEU HA H 88 4.169 4.798 -0.629 1
1 1108 . 13 1 1 A 88 88 LEU C C 88 175.027 176.328 -1.301 1
1 1109 . 13 1 1 A 88 88 LEU CA C 88 56.962 53.490 3.472 1
1 1110 . 13 1 1 A 88 88 LEU CB C 88 44.199 43.281 0.918 1
1 1114 . 13 1 1 A 88 88 LEU N N 88 119.732 120.339 -0.607 1
1 1115 . 13 1 1 A 89 89 GLU H H 89 8.097 8.609 -0.512 1
1 1116 . 13 1 1 A 89 89 GLU HA H 89 4.087 4.488 -0.401 1
1 1121 . 13 1 1 A 89 89 GLU C C 89 176.427 175.779 0.648 1
1 1122 . 13 1 1 A 89 89 GLU CA C 89 58.216 55.525 2.691 1
1 1123 . 13 1 1 A 89 89 GLU CB C 89 32.309 31.565 0.744 1
1 1125 . 13 1 1 A 89 89 GLU N N 89 121.626 120.701 0.925 1
1 1126 . 13 1 1 A 90 90 ASP H H 90 8.243 8.279 -0.036 1
1 1127 . 13 1 1 A 90 90 ASP HA H 90 4.425 4.274 0.151 1
1 1130 . 13 1 1 A 90 90 ASP C C 90 176.527 175.321 1.206 1
1 1131 . 13 1 1 A 90 90 ASP CA C 90 55.815 55.115 0.700 1
1 1132 . 13 1 1 A 90 90 ASP CB C 90 42.874 39.812 3.062 1
1 1133 . 13 1 1 A 90 90 ASP N N 90 121.280 119.282 1.998 1
1 1134 . 13 1 1 A 91 91 ASN H H 91 8.267 8.021 0.246 1
1 1135 . 13 1 1 A 91 91 ASN HA H 91 4.563 5.007 -0.444 1
1 1140 . 13 1 1 A 91 91 ASN C C 91 178.127 174.531 3.596 1
1 1141 . 13 1 1 A 91 91 ASN CA C 91 54.928 54.215 0.713 1
1 1142 . 13 1 1 A 91 91 ASN CB C 91 40.529 41.862 -1.333 1
1 1143 . 13 1 1 A 91 91 ASN N N 91 119.209 116.836 2.373 1
1 14 . 14 1 1 A 2 2 GLU H H 2 8.722 8.238 0.484 1
1 15 . 14 1 1 A 2 2 GLU HA H 2 4.557 4.142 0.415 1
1 20 . 14 1 1 A 2 2 GLU C C 2 175.827 177.016 -1.189 1
1 21 . 14 1 1 A 2 2 GLU CA C 2 58.063 59.229 -1.166 1
1 22 . 14 1 1 A 2 2 GLU CB C 2 33.147 29.312 3.835 1
1 24 . 14 1 1 A 2 2 GLU N N 2 124.627 118.156 6.471 1
1 25 . 14 1 1 A 3 3 THR H H 3 8.670 7.730 0.940 1
1 26 . 14 1 1 A 3 3 THR HA H 3 4.616 4.540 0.076 1
1 31 . 14 1 1 A 3 3 THR CA C 3 61.734 60.249 1.485 1
1 32 . 14 1 1 A 3 3 THR CB C 3 70.590 69.189 1.401 1
1 34 . 14 1 1 A 3 3 THR N N 3 116.274 111.577 4.697 1
1 35 . 14 1 1 A 4 4 PRO HA H 4 4.161 4.338 -0.177 1
1 42 . 14 1 1 A 4 4 PRO C C 4 172.227 177.949 -5.722 1
1 43 . 14 1 1 A 4 4 PRO CA C 4 68.211 65.483 2.728 1
1 44 . 14 1 1 A 4 4 PRO CB C 4 33.796 31.902 1.894 1
1 47 . 14 1 1 A 5 5 LEU H H 5 9.207 7.720 1.487 1
1 48 . 14 1 1 A 5 5 LEU HA H 5 4.038 4.012 0.026 1
1 58 . 14 1 1 A 5 5 LEU C C 5 174.327 178.215 -3.888 1
1 59 . 14 1 1 A 5 5 LEU CA C 5 59.483 57.395 2.088 1
1 60 . 14 1 1 A 5 5 LEU CB C 5 43.877 41.716 2.161 1
1 64 . 14 1 1 A 5 5 LEU N N 5 119.157 117.443 1.714 1
1 65 . 14 1 1 A 6 6 GLU H H 6 7.661 7.884 -0.223 1
1 66 . 14 1 1 A 6 6 GLU HA H 6 3.755 3.874 -0.119 1
1 71 . 14 1 1 A 6 6 GLU C C 6 172.727 179.009 -6.282 1
1 72 . 14 1 1 A 6 6 GLU CA C 6 61.953 59.996 1.957 1
1 73 . 14 1 1 A 6 6 GLU CB C 6 31.354 29.121 2.233 1
1 75 . 14 1 1 A 6 6 GLU N N 6 119.837 119.106 0.731 1
1 76 . 14 1 1 A 7 7 LYS H H 7 8.430 7.503 0.927 1
1 77 . 14 1 1 A 7 7 LYS HA H 7 3.921 4.063 -0.142 1
1 86 . 14 1 1 A 7 7 LYS C C 7 172.927 179.008 -6.081 1
1 87 . 14 1 1 A 7 7 LYS CA C 7 61.312 58.939 2.373 1
1 88 . 14 1 1 A 7 7 LYS CB C 7 33.861 32.211 1.650 1
1 92 . 14 1 1 A 7 7 LYS N N 7 119.023 118.823 0.200 1
1 93 . 14 1 1 A 8 8 ALA H H 8 8.079 7.910 0.169 1
1 94 . 14 1 1 A 8 8 ALA HA H 8 4.085 3.995 0.090 1
1 98 . 14 1 1 A 8 8 ALA C C 8 173.027 179.989 -6.962 1
1 99 . 14 1 1 A 8 8 ALA CA C 8 56.967 55.123 1.844 1
1 100 . 14 1 1 A 8 8 ALA CB C 8 20.140 18.590 1.550 1
1 101 . 14 1 1 A 8 8 ALA N N 8 123.824 122.399 1.425 1
1 102 . 14 1 1 A 9 9 LEU H H 9 8.032 7.816 0.216 1
1 103 . 14 1 1 A 9 9 LEU HA H 9 4.061 3.913 0.148 1
1 113 . 14 1 1 A 9 9 LEU C C 9 172.527 179.272 -6.745 1
1 114 . 14 1 1 A 9 9 LEU CA C 9 60.071 57.952 2.119 1
1 115 . 14 1 1 A 9 9 LEU CB C 9 42.714 42.343 0.371 1
1 119 . 14 1 1 A 9 9 LEU N N 9 118.643 118.121 0.522 1
1 120 . 14 1 1 A 10 10 THR H H 10 8.686 8.373 0.313 1
1 121 . 14 1 1 A 10 10 THR HA H 10 3.798 3.935 -0.137 1
1 126 . 14 1 1 A 10 10 THR C C 10 175.127 176.824 -1.697 1
1 127 . 14 1 1 A 10 10 THR CA C 10 69.282 66.556 2.726 1
1 128 . 14 1 1 A 10 10 THR CB C 10 70.132 68.613 1.519 1
1 130 . 14 1 1 A 10 10 THR N N 10 117.087 115.513 1.574 1
1 131 . 14 1 1 A 11 11 THR H H 11 8.628 8.002 0.626 1
1 132 . 14 1 1 A 11 11 THR HA H 11 3.961 4.070 -0.109 1
1 137 . 14 1 1 A 11 11 THR C C 11 174.427 176.709 -2.282 1
1 138 . 14 1 1 A 11 11 THR CA C 11 68.408 66.678 1.730 1
1 139 . 14 1 1 A 11 11 THR CB C 11 69.107 68.006 1.101 1
1 141 . 14 1 1 A 11 11 THR N N 11 120.770 117.361 3.409 1
1 142 . 14 1 1 A 12 12 MET H H 12 8.390 8.292 0.098 1
1 143 . 14 1 1 A 12 12 MET HA H 12 3.956 4.231 -0.275 1
1 151 . 14 1 1 A 12 12 MET C C 12 175.127 178.412 -3.285 1
1 152 . 14 1 1 A 12 12 MET CA C 12 62.750 58.418 4.332 1
1 153 . 14 1 1 A 12 12 MET CB C 12 34.952 32.605 2.347 1
1 156 . 14 1 1 A 12 12 MET N N 12 124.388 118.642 5.746 1
1 157 . 14 1 1 A 13 13 VAL H H 13 8.104 8.396 -0.292 1
1 158 . 14 1 1 A 13 13 VAL HA H 13 3.576 4.233 -0.657 1
1 166 . 14 1 1 A 13 13 VAL C C 13 175.327 177.996 -2.669 1
1 167 . 14 1 1 A 13 13 VAL CA C 13 68.958 66.122 2.836 1
1 168 . 14 1 1 A 13 13 VAL CB C 13 33.703 31.563 2.140 1
1 171 . 14 1 1 A 13 13 VAL N N 13 121.753 116.608 5.145 1
1 172 . 14 1 1 A 14 14 THR H H 14 9.186 8.283 0.903 1
1 173 . 14 1 1 A 14 14 THR HA H 14 3.774 4.148 -0.374 1
1 178 . 14 1 1 A 14 14 THR C C 14 173.927 176.825 -2.898 1
1 179 . 14 1 1 A 14 14 THR CA C 14 67.955 65.774 2.181 1
1 180 . 14 1 1 A 14 14 THR CB C 14 70.504 68.254 2.250 1
1 182 . 14 1 1 A 14 14 THR N N 14 114.911 115.108 -0.197 1
1 183 . 14 1 1 A 15 15 THR H H 15 8.453 8.343 0.110 1
1 184 . 14 1 1 A 15 15 THR HA H 15 3.859 4.233 -0.374 1
1 190 . 14 1 1 A 15 15 THR C C 15 178.127 176.904 1.223 1
1 191 . 14 1 1 A 15 15 THR CA C 15 69.609 65.978 3.631 1
1 192 . 14 1 1 A 15 15 THR CB C 15 70.511 68.281 2.230 1
1 194 . 14 1 1 A 15 15 THR N N 15 118.791 113.992 4.799 1
1 195 . 14 1 1 A 16 16 PHE H H 16 7.207 8.452 -1.245 1
1 196 . 14 1 1 A 16 16 PHE HA H 16 3.572 4.208 -0.636 1
1 203 . 14 1 1 A 16 16 PHE C C 16 178.527 177.656 0.871 1
1 204 . 14 1 1 A 16 16 PHE CA C 16 64.090 61.846 2.244 1
1 205 . 14 1 1 A 16 16 PHE CB C 16 41.091 39.023 2.068 1
1 206 . 14 1 1 A 16 16 PHE N N 16 121.331 123.907 -2.576 1
1 207 . 14 1 1 A 17 17 HIS H H 17 8.393 7.967 0.426 1
1 208 . 14 1 1 A 17 17 HIS HA H 17 5.329 4.128 1.201 1
1 211 . 14 1 1 A 17 17 HIS C C 17 174.627 177.415 -2.788 1
1 212 . 14 1 1 A 17 17 HIS CA C 17 56.667 60.186 -3.519 1
1 213 . 14 1 1 A 17 17 HIS CB C 17 32.397 29.591 2.806 1
1 214 . 14 1 1 A 17 17 HIS N N 17 117.858 118.705 -0.847 1
1 215 . 14 1 1 A 18 18 LYS H H 18 7.767 7.821 -0.054 1
1 216 . 14 1 1 A 18 18 LYS HA H 18 3.553 3.950 -0.397 1
1 225 . 14 1 1 A 18 18 LYS C C 18 175.527 177.170 -1.643 1
1 226 . 14 1 1 A 18 18 LYS CA C 18 61.301 58.626 2.675 1
1 227 . 14 1 1 A 18 18 LYS CB C 18 33.523 32.013 1.510 1
1 231 . 14 1 1 A 18 18 LYS N N 18 120.691 118.344 2.347 1
1 232 . 14 1 1 A 19 19 TYR H H 19 7.079 8.113 -1.034 1
1 233 . 14 1 1 A 19 19 TYR HA H 19 3.993 4.881 -0.888 1
1 240 . 14 1 1 A 19 19 TYR C C 19 174.227 175.873 -1.646 1
1 241 . 14 1 1 A 19 19 TYR CA C 19 61.287 57.889 3.398 1
1 242 . 14 1 1 A 19 19 TYR CB C 19 42.066 39.520 2.546 1
1 243 . 14 1 1 A 19 19 TYR N N 19 114.592 117.633 -3.041 1
1 244 . 14 1 1 A 20 20 SER H H 20 9.708 7.303 2.405 1
1 245 . 14 1 1 A 20 20 SER HA H 20 4.117 4.573 -0.456 1
1 248 . 14 1 1 A 20 20 SER C C 20 175.227 174.798 0.429 1
1 249 . 14 1 1 A 20 20 SER CA C 20 60.135 58.539 1.596 1
1 250 . 14 1 1 A 20 20 SER CB C 20 63.159 63.683 -0.524 1
1 251 . 14 1 1 A 20 20 SER N N 20 121.764 111.959 9.805 1
1 252 . 14 1 1 A 21 21 GLY H H 21 8.146 7.791 0.355 1
1 253 . 14 1 1 A 21 21 GLY HA2 H 21 3.956 3.735 0.221 1
1 254 . 14 1 1 A 21 21 GLY HA3 H 21 3.571 4.123 -0.552 1
1 255 . 14 1 1 A 21 21 GLY C C 21 177.927 174.759 3.168 1
1 256 . 14 1 1 A 21 21 GLY CA C 21 46.646 45.749 0.897 1
1 257 . 14 1 1 A 21 21 GLY N N 21 106.982 109.354 -2.372 1
1 258 . 14 1 1 A 22 22 ARG H H 22 7.007 7.537 -0.530 1
1 259 . 14 1 1 A 22 22 ARG HA H 22 3.815 4.071 -0.256 1
1 266 . 14 1 1 A 22 22 ARG C C 22 175.927 177.260 -1.333 1
1 267 . 14 1 1 A 22 22 ARG CA C 22 60.766 58.181 2.585 1
1 268 . 14 1 1 A 22 22 ARG CB C 22 32.302 30.874 1.428 1
1 271 . 14 1 1 A 22 22 ARG N N 22 118.055 120.557 -2.502 1
1 272 . 14 1 1 A 23 23 GLU H H 23 7.551 7.593 -0.042 1
1 273 . 14 1 1 A 23 23 GLU HA H 23 4.436 4.495 -0.059 1
1 278 . 14 1 1 A 23 23 GLU C C 23 177.727 176.663 1.064 1
1 279 . 14 1 1 A 23 23 GLU CA C 23 56.853 56.605 0.248 1
1 280 . 14 1 1 A 23 23 GLU CB C 23 33.988 32.336 1.652 1
1 282 . 14 1 1 A 23 23 GLU N N 23 114.631 116.207 -1.576 1
1 283 . 14 1 1 A 24 24 GLY H H 24 8.376 7.335 1.041 1
1 284 . 14 1 1 A 24 24 GLY HA2 H 24 3.771 3.969 -0.198 1
1 285 . 14 1 1 A 24 24 GLY HA3 H 24 3.567 4.171 -0.604 1
1 286 . 14 1 1 A 24 24 GLY C C 24 177.127 172.360 4.767 1
1 287 . 14 1 1 A 24 24 GLY CA C 24 47.718 45.751 1.967 1
1 288 . 14 1 1 A 24 24 GLY N N 24 107.626 105.481 2.145 1
1 289 . 14 1 1 A 25 25 SER H H 25 8.443 8.340 0.103 1
1 290 . 14 1 1 A 25 25 SER HA H 25 4.314 4.347 -0.033 1
1 293 . 14 1 1 A 25 25 SER C C 25 175.527 175.315 0.212 1
1 294 . 14 1 1 A 25 25 SER CA C 25 59.146 58.607 0.539 1
1 295 . 14 1 1 A 25 25 SER CB C 25 65.573 62.964 2.609 1
1 296 . 14 1 1 A 25 25 SER N N 25 119.000 117.395 1.605 1
1 297 . 14 1 1 A 26 26 LYS H H 26 8.821 8.547 0.274 1
1 298 . 14 1 1 A 26 26 LYS HA H 26 4.307 4.076 0.231 1
1 307 . 14 1 1 A 26 26 LYS C C 26 176.027 176.553 -0.526 1
1 308 . 14 1 1 A 26 26 LYS CA C 26 59.180 57.500 1.680 1
1 309 . 14 1 1 A 26 26 LYS CB C 26 33.211 32.187 1.024 1
1 313 . 14 1 1 A 26 26 LYS N N 26 126.125 121.693 4.432 1
1 314 . 14 1 1 A 27 27 LEU H H 27 8.237 7.546 0.691 1
1 315 . 14 1 1 A 27 27 LEU HA H 27 4.534 4.067 0.467 1
1 325 . 14 1 1 A 27 27 LEU C C 27 175.627 175.606 0.021 1
1 326 . 14 1 1 A 27 27 LEU CA C 27 56.384 54.035 2.349 1
1 327 . 14 1 1 A 27 27 LEU CB C 27 44.218 43.430 0.788 1
1 331 . 14 1 1 A 27 27 LEU N N 27 117.484 118.371 -0.887 1
1 332 . 14 1 1 A 28 28 THR H H 28 7.386 7.478 -0.092 1
1 333 . 14 1 1 A 28 28 THR HA H 28 5.517 5.477 0.040 1
1 338 . 14 1 1 A 28 28 THR C C 28 180.227 172.827 7.400 1
1 339 . 14 1 1 A 28 28 THR CA C 28 61.014 59.918 1.096 1
1 340 . 14 1 1 A 28 28 THR CB C 28 75.348 71.773 3.575 1
1 342 . 14 1 1 A 28 28 THR N N 28 106.230 110.550 -4.320 1
1 343 . 14 1 1 A 29 29 LEU H H 29 8.721 9.000 -0.279 1
1 344 . 14 1 1 A 29 29 LEU HA H 29 4.713 4.963 -0.250 1
1 354 . 14 1 1 A 29 29 LEU C C 29 176.927 175.463 1.464 1
1 355 . 14 1 1 A 29 29 LEU CA C 29 55.163 53.710 1.453 1
1 356 . 14 1 1 A 29 29 LEU CB C 29 46.059 45.355 0.704 1
1 360 . 14 1 1 A 29 29 LEU N N 29 116.728 119.579 -2.851 1
1 361 . 14 1 1 A 30 30 SER H H 30 8.866 8.691 0.175 1
1 362 . 14 1 1 A 30 30 SER HA H 30 4.942 4.867 0.075 1
1 365 . 14 1 1 A 30 30 SER C C 30 176.327 176.007 0.320 1
1 366 . 14 1 1 A 30 30 SER CA C 30 59.032 57.383 1.649 1
1 367 . 14 1 1 A 30 30 SER CB C 30 67.150 64.668 2.482 1
1 368 . 14 1 1 A 30 30 SER N N 30 117.110 115.173 1.937 1
1 369 . 14 1 1 A 31 31 ARG H H 31 8.393 8.644 -0.251 1
1 370 . 14 1 1 A 31 31 ARG HA H 31 3.695 3.941 -0.246 1
1 377 . 14 1 1 A 31 31 ARG C C 31 174.127 178.543 -4.416 1
1 378 . 14 1 1 A 31 31 ARG CA C 31 62.776 59.645 3.131 1
1 379 . 14 1 1 A 31 31 ARG CB C 31 31.601 29.639 1.962 1
1 382 . 14 1 1 A 31 31 ARG N N 31 121.109 121.999 -0.890 1
1 383 . 14 1 1 A 32 32 LYS H H 32 8.264 8.017 0.247 1
1 384 . 14 1 1 A 32 32 LYS HA H 32 3.912 3.962 -0.050 1
1 393 . 14 1 1 A 32 32 LYS C C 32 172.827 178.429 -5.602 1
1 394 . 14 1 1 A 32 32 LYS CA C 32 61.591 59.584 2.007 1
1 395 . 14 1 1 A 32 32 LYS CB C 32 34.116 32.086 2.030 1
1 399 . 14 1 1 A 32 32 LYS N N 32 118.536 119.795 -1.259 1
1 400 . 14 1 1 A 33 33 GLU H H 33 7.790 7.944 -0.154 1
1 401 . 14 1 1 A 33 33 GLU HA H 33 4.049 4.139 -0.090 1
1 406 . 14 1 1 A 33 33 GLU C C 33 174.327 178.616 -4.289 1
1 407 . 14 1 1 A 33 33 GLU CA C 33 60.634 58.969 1.665 1
1 408 . 14 1 1 A 33 33 GLU CB C 33 31.617 29.388 2.229 1
1 410 . 14 1 1 A 33 33 GLU N N 33 121.557 119.189 2.368 1
1 411 . 14 1 1 A 34 34 LEU H H 34 8.388 7.960 0.428 1
1 412 . 14 1 1 A 34 34 LEU HA H 34 3.844 3.813 0.031 1
1 422 . 14 1 1 A 34 34 LEU C C 34 174.927 178.249 -3.322 1
1 423 . 14 1 1 A 34 34 LEU CA C 34 59.173 57.971 1.202 1
1 424 . 14 1 1 A 34 34 LEU CB C 34 42.053 41.693 0.360 1
1 428 . 14 1 1 A 34 34 LEU N N 34 120.999 121.152 -0.153 1
1 429 . 14 1 1 A 35 35 LYS H H 35 7.817 7.687 0.130 1
1 430 . 14 1 1 A 35 35 LYS HA H 35 3.478 3.768 -0.290 1
1 439 . 14 1 1 A 35 35 LYS C C 35 174.627 178.772 -4.145 1
1 440 . 14 1 1 A 35 35 LYS CA C 35 62.312 59.821 2.491 1
1 441 . 14 1 1 A 35 35 LYS CB C 35 33.814 32.137 1.677 1
1 445 . 14 1 1 A 35 35 LYS N N 35 118.738 118.896 -0.158 1
1 446 . 14 1 1 A 36 36 GLU H H 36 7.208 7.945 -0.737 1
1 447 . 14 1 1 A 36 36 GLU HA H 36 3.801 4.009 -0.208 1
1 452 . 14 1 1 A 36 36 GLU C C 36 175.227 178.332 -3.105 1
1 453 . 14 1 1 A 36 36 GLU CA C 36 61.015 59.035 1.980 1
1 454 . 14 1 1 A 36 36 GLU CB C 36 30.770 29.537 1.233 1
1 456 . 14 1 1 A 36 36 GLU N N 36 118.771 119.018 -0.247 1
1 457 . 14 1 1 A 37 37 LEU H H 37 8.038 8.227 -0.189 1
1 458 . 14 1 1 A 37 37 LEU HA H 37 3.178 3.407 -0.229 1
1 468 . 14 1 1 A 37 37 LEU C C 37 172.927 178.116 -5.189 1
1 469 . 14 1 1 A 37 37 LEU CA C 37 60.915 58.076 2.839 1
1 470 . 14 1 1 A 37 37 LEU CB C 37 43.352 41.159 2.193 1
1 474 . 14 1 1 A 37 37 LEU N N 37 121.767 120.444 1.323 1
1 475 . 14 1 1 A 38 38 ILE H H 38 8.224 7.745 0.479 1
1 476 . 14 1 1 A 38 38 ILE HA H 38 3.234 3.687 -0.453 1
1 486 . 14 1 1 A 38 38 ILE C C 38 174.727 177.383 -2.656 1
1 487 . 14 1 1 A 38 38 ILE CA C 38 66.464 65.179 1.285 1
1 488 . 14 1 1 A 38 38 ILE CB C 38 38.799 37.794 1.005 1
1 492 . 14 1 1 A 38 38 ILE N N 38 119.417 120.243 -0.826 1
1 493 . 14 1 1 A 39 39 LYS H H 39 7.700 7.808 -0.108 1
1 494 . 14 1 1 A 39 39 LYS HA H 39 3.894 4.318 -0.424 1
1 503 . 14 1 1 A 39 39 LYS C C 39 173.727 177.477 -3.750 1
1 504 . 14 1 1 A 39 39 LYS CA C 39 61.015 57.386 3.629 1
1 505 . 14 1 1 A 39 39 LYS CB C 39 34.100 32.155 1.945 1
1 509 . 14 1 1 A 39 39 LYS N N 39 117.277 119.331 -2.054 1
1 510 . 14 1 1 A 40 40 LYS H H 40 8.170 7.691 0.479 1
1 511 . 14 1 1 A 40 40 LYS HA H 40 4.226 4.206 0.020 1
1 520 . 14 1 1 A 40 40 LYS C C 40 173.427 178.701 -5.274 1
1 521 . 14 1 1 A 40 40 LYS CA C 40 59.251 59.115 0.136 1
1 522 . 14 1 1 A 40 40 LYS CB C 40 35.528 33.149 2.379 1
1 526 . 14 1 1 A 40 40 LYS N N 40 115.146 119.154 -4.008 1
1 527 . 14 1 1 A 41 41 GLU H H 41 8.778 8.293 0.485 1
1 528 . 14 1 1 A 41 41 GLU HA H 41 4.629 4.297 0.332 1
1 533 . 14 1 1 A 41 41 GLU C C 41 175.527 176.396 -0.869 1
1 534 . 14 1 1 A 41 41 GLU CA C 41 57.177 59.280 -2.103 1
1 535 . 14 1 1 A 41 41 GLU CB C 41 31.656 29.661 1.995 1
1 537 . 14 1 1 A 41 41 GLU N N 41 113.604 119.253 -5.649 1
1 538 . 14 1 1 A 42 42 LEU H H 42 7.610 7.458 0.152 1
1 539 . 14 1 1 A 42 42 LEU HA H 42 4.475 4.364 0.111 1
1 549 . 14 1 1 A 42 42 LEU C C 42 177.227 176.547 0.680 1
1 550 . 14 1 1 A 42 42 LEU CA C 42 56.047 54.075 1.972 1
1 551 . 14 1 1 A 42 42 LEU CB C 42 45.748 40.701 5.047 1
1 555 . 14 1 1 A 42 42 LEU N N 42 118.997 120.313 -1.316 1
1 556 . 14 1 1 A 43 43 CYS H H 43 8.501 8.117 0.384 1
1 557 . 14 1 1 A 43 43 CYS HA H 43 4.397 4.143 0.254 1
1 560 . 14 1 1 A 43 43 CYS C C 43 177.327 174.905 2.422 1
1 561 . 14 1 1 A 43 43 CYS CA C 43 60.023 62.511 -2.488 1
1 562 . 14 1 1 A 43 43 CYS CB C 43 27.915 27.405 0.510 1
1 563 . 14 1 1 A 43 43 CYS N N 43 119.622 125.151 -5.529 1
1 564 . 14 1 1 A 44 44 LEU H H 44 8.200 8.082 0.118 1
1 565 . 14 1 1 A 44 44 LEU HA H 44 3.979 3.995 -0.016 1
1 575 . 14 1 1 A 44 44 LEU C C 44 173.927 176.677 -2.750 1
1 576 . 14 1 1 A 44 44 LEU CA C 44 57.244 57.322 -0.078 1
1 577 . 14 1 1 A 44 44 LEU CB C 44 43.622 40.124 3.498 1
1 581 . 14 1 1 A 44 44 LEU N N 44 121.955 120.399 1.556 1
1 582 . 14 1 1 A 45 45 GLY H H 45 8.244 8.456 -0.212 1
1 583 . 14 1 1 A 45 45 GLY HA2 H 45 3.849 3.934 -0.085 1
1 584 . 14 1 1 A 45 45 GLY HA3 H 45 3.789 4.077 -0.288 1
1 585 . 14 1 1 A 45 45 GLY C C 45 178.027 173.949 4.078 1
1 586 . 14 1 1 A 45 45 GLY CA C 45 47.023 46.824 0.199 1
1 587 . 14 1 1 A 45 45 GLY N N 45 107.702 106.547 1.155 1
1 588 . 14 1 1 A 46 46 GLU H H 46 8.286 8.337 -0.051 1
1 589 . 14 1 1 A 46 46 GLU HA H 46 4.039 4.632 -0.593 1
1 594 . 14 1 1 A 46 46 GLU C C 46 175.127 176.531 -1.404 1
1 595 . 14 1 1 A 46 46 GLU CA C 46 59.176 55.326 3.850 1
1 596 . 14 1 1 A 46 46 GLU CB C 46 31.361 29.718 1.643 1
1 598 . 14 1 1 A 46 46 GLU N N 46 119.602 120.051 -0.449 1
1 599 . 14 1 1 A 47 47 MET H H 47 8.048 8.191 -0.143 1
1 600 . 14 1 1 A 47 47 MET HA H 47 4.229 4.301 -0.072 1
1 608 . 14 1 1 A 47 47 MET C C 47 175.727 176.427 -0.700 1
1 609 . 14 1 1 A 47 47 MET CA C 47 58.183 57.017 1.166 1
1 610 . 14 1 1 A 47 47 MET CB C 47 34.087 32.214 1.873 1
1 613 . 14 1 1 A 47 47 MET N N 47 119.617 120.179 -0.562 1
1 614 . 14 1 1 A 48 48 LYS H H 48 8.221 7.268 0.953 1
1 615 . 14 1 1 A 48 48 LYS HA H 48 4.217 4.150 0.067 1
1 624 . 14 1 1 A 48 48 LYS C C 48 174.927 176.469 -1.542 1
1 625 . 14 1 1 A 48 48 LYS CA C 48 58.304 56.090 2.214 1
1 626 . 14 1 1 A 48 48 LYS CB C 48 34.548 32.760 1.788 1
1 630 . 14 1 1 A 48 48 LYS N N 48 120.987 121.035 -0.048 1
1 631 . 14 1 1 A 49 49 GLU H H 49 8.346 8.518 -0.172 1
1 632 . 14 1 1 A 49 49 GLU HA H 49 3.922 4.482 -0.560 1
1 637 . 14 1 1 A 49 49 GLU C C 49 174.427 176.249 -1.822 1
1 638 . 14 1 1 A 49 49 GLU CA C 49 60.298 55.818 4.480 1
1 639 . 14 1 1 A 49 49 GLU CB C 49 31.065 31.051 0.014 1
1 641 . 14 1 1 A 49 49 GLU N N 49 121.867 121.452 0.415 1
1 642 . 14 1 1 A 50 50 SER H H 50 8.348 8.439 -0.091 1
1 643 . 14 1 1 A 50 50 SER HA H 50 4.172 4.585 -0.413 1
1 647 . 14 1 1 A 50 50 SER C C 50 176.027 175.007 1.020 1
1 648 . 14 1 1 A 50 50 SER CA C 50 62.548 56.795 5.753 1
1 649 . 14 1 1 A 50 50 SER CB C 50 64.840 64.974 -0.134 1
1 650 . 14 1 1 A 50 50 SER N N 50 115.695 117.781 -2.086 1
1 651 . 14 1 1 A 51 51 SER H H 51 7.980 8.708 -0.728 1
1 652 . 14 1 1 A 51 51 SER HA H 51 4.258 4.085 0.173 1
1 655 . 14 1 1 A 51 51 SER C C 51 174.427 175.270 -0.843 1
1 656 . 14 1 1 A 51 51 SER CA C 51 62.828 61.084 1.744 1
1 657 . 14 1 1 A 51 51 SER CB C 51 64.749 60.964 3.785 1
1 658 . 14 1 1 A 51 51 SER N N 51 117.126 115.080 2.046 1
1 659 . 14 1 1 A 52 52 ILE H H 52 7.365 8.432 -1.067 1
1 660 . 14 1 1 A 52 52 ILE HA H 52 4.038 3.825 0.213 1
1 670 . 14 1 1 A 52 52 ILE C C 52 175.627 176.666 -1.039 1
1 671 . 14 1 1 A 52 52 ILE CA C 52 64.609 64.764 -0.155 1
1 672 . 14 1 1 A 52 52 ILE CB C 52 39.272 37.588 1.684 1
1 676 . 14 1 1 A 52 52 ILE N N 52 117.484 119.878 -2.394 1
1 677 . 14 1 1 A 53 53 ASP H H 53 7.681 7.723 -0.042 1
1 678 . 14 1 1 A 53 53 ASP HA H 53 4.214 4.682 -0.468 1
1 681 . 14 1 1 A 53 53 ASP C C 53 174.027 177.270 -3.243 1
1 682 . 14 1 1 A 53 53 ASP CA C 53 59.799 53.866 5.933 1
1 683 . 14 1 1 A 53 53 ASP CB C 53 42.927 41.051 1.876 1
1 684 . 14 1 1 A 53 53 ASP N N 53 121.969 121.544 0.425 1
1 685 . 14 1 1 A 54 54 ASP H H 54 8.227 8.010 0.217 1
1 686 . 14 1 1 A 54 54 ASP HA H 54 4.231 4.437 -0.206 1
1 689 . 14 1 1 A 54 54 ASP C C 54 172.927 178.722 -5.795 1
1 690 . 14 1 1 A 54 54 ASP CA C 54 59.507 57.158 2.349 1
1 691 . 14 1 1 A 54 54 ASP CB C 54 41.818 40.973 0.845 1
1 692 . 14 1 1 A 54 54 ASP N N 54 118.083 119.994 -1.911 1
1 693 . 14 1 1 A 55 55 LEU H H 55 7.650 8.122 -0.472 1
1 694 . 14 1 1 A 55 55 LEU HA H 55 4.016 4.072 -0.056 1
1 704 . 14 1 1 A 55 55 LEU C C 55 171.927 179.322 -7.395 1
1 705 . 14 1 1 A 55 55 LEU CA C 55 59.965 58.002 1.963 1
1 706 . 14 1 1 A 55 55 LEU CB C 55 43.370 41.613 1.757 1
1 710 . 14 1 1 A 55 55 LEU N N 55 121.634 120.276 1.358 1
1 711 . 14 1 1 A 56 56 MET H H 56 8.429 8.344 0.085 1
1 712 . 14 1 1 A 56 56 MET HA H 56 4.325 4.180 0.145 1
1 720 . 14 1 1 A 56 56 MET C C 56 172.527 178.675 -6.148 1
1 721 . 14 1 1 A 56 56 MET CA C 56 59.221 58.992 0.229 1
1 722 . 14 1 1 A 56 56 MET CB C 56 34.106 32.788 1.318 1
1 725 . 14 1 1 A 56 56 MET N N 56 118.696 116.868 1.828 1
1 726 . 14 1 1 A 57 57 LYS H H 57 8.249 8.079 0.170 1
1 727 . 14 1 1 A 57 57 LYS HA H 57 3.996 4.243 -0.247 1
1 736 . 14 1 1 A 57 57 LYS C C 57 172.527 179.099 -6.572 1
1 737 . 14 1 1 A 57 57 LYS CA C 57 60.872 58.964 1.908 1
1 738 . 14 1 1 A 57 57 LYS CB C 57 33.853 31.992 1.861 1
1 742 . 14 1 1 A 57 57 LYS N N 57 119.855 120.263 -0.408 1
1 743 . 14 1 1 A 58 58 SER H H 58 7.729 8.177 -0.448 1
1 744 . 14 1 1 A 58 58 SER HA H 58 4.125 4.269 -0.144 1
1 747 . 14 1 1 A 58 58 SER C C 58 176.527 177.168 -0.641 1
1 748 . 14 1 1 A 58 58 SER CA C 58 63.029 60.992 2.037 1
1 749 . 14 1 1 A 58 58 SER CB C 58 64.686 63.158 1.528 1
1 750 . 14 1 1 A 58 58 SER N N 58 115.984 115.059 0.925 1
1 751 . 14 1 1 A 59 59 LEU H H 59 7.288 8.050 -0.762 1
1 752 . 14 1 1 A 59 59 LEU HA H 59 4.058 3.840 0.218 1
1 762 . 14 1 1 A 59 59 LEU C C 59 175.827 178.127 -2.300 1
1 763 . 14 1 1 A 59 59 LEU CA C 59 57.364 58.239 -0.875 1
1 764 . 14 1 1 A 59 59 LEU CB C 59 42.712 41.423 1.289 1
1 768 . 14 1 1 A 59 59 LEU N N 59 120.622 122.611 -1.989 1
1 769 . 14 1 1 A 60 60 ASP H H 60 7.431 8.296 -0.865 1
1 770 . 14 1 1 A 60 60 ASP HA H 60 4.386 4.370 0.016 1
1 773 . 14 1 1 A 60 60 ASP C C 60 175.927 178.242 -2.315 1
1 774 . 14 1 1 A 60 60 ASP CA C 60 57.012 57.464 -0.452 1
1 775 . 14 1 1 A 60 60 ASP CB C 60 42.351 41.631 0.720 1
1 776 . 14 1 1 A 60 60 ASP N N 60 116.755 118.512 -1.757 1
1 777 . 14 1 1 A 61 61 LYS H H 61 7.243 8.043 -0.800 1
1 778 . 14 1 1 A 61 61 LYS HA H 61 4.223 3.969 0.254 1
1 787 . 14 1 1 A 61 61 LYS C C 61 176.527 176.003 0.524 1
1 788 . 14 1 1 A 61 61 LYS CA C 61 57.287 59.633 -2.346 1
1 789 . 14 1 1 A 61 61 LYS CB C 61 34.683 32.184 2.499 1
1 793 . 14 1 1 A 61 61 LYS N N 61 119.913 118.194 1.719 1
1 794 . 14 1 1 A 62 62 ASN H H 62 8.725 8.077 0.648 1
1 795 . 14 1 1 A 62 62 ASN HA H 62 4.462 4.968 -0.506 1
1 800 . 14 1 1 A 62 62 ASN C C 62 175.627 174.522 1.105 1
1 801 . 14 1 1 A 62 62 ASN CA C 62 55.452 52.276 3.176 1
1 802 . 14 1 1 A 62 62 ASN CB C 62 39.336 39.942 -0.606 1
1 803 . 14 1 1 A 62 62 ASN N N 62 120.247 115.462 4.785 1
1 805 . 14 1 1 A 63 63 SER H H 63 8.061 8.740 -0.679 1
1 806 . 14 1 1 A 63 63 SER HA H 63 3.957 4.569 -0.612 1
1 809 . 14 1 1 A 63 63 SER C C 63 174.827 174.074 0.753 1
1 810 . 14 1 1 A 63 63 SER CA C 63 62.954 59.228 3.726 1
1 811 . 14 1 1 A 63 63 SER CB C 63 65.586 63.913 1.673 1
1 812 . 14 1 1 A 63 63 SER N N 63 113.249 119.687 -6.438 1
1 813 . 14 1 1 A 64 64 ASP H H 64 8.408 7.908 0.500 1
1 814 . 14 1 1 A 64 64 ASP HA H 64 4.573 4.783 -0.210 1
1 817 . 14 1 1 A 64 64 ASP C C 64 176.027 174.343 1.684 1
1 818 . 14 1 1 A 64 64 ASP CA C 64 55.789 53.834 1.955 1
1 819 . 14 1 1 A 64 64 ASP CB C 64 42.365 41.627 0.738 1
1 820 . 14 1 1 A 64 64 ASP N N 64 117.587 119.055 -1.468 1
1 821 . 14 1 1 A 65 65 GLN H H 65 7.779 7.691 0.088 1
1 822 . 14 1 1 A 65 65 GLN HA H 65 4.026 4.753 -0.727 1
1 829 . 14 1 1 A 65 65 GLN C C 65 176.827 174.943 1.884 1
1 830 . 14 1 1 A 65 65 GLN CA C 65 58.241 54.493 3.748 1
1 831 . 14 1 1 A 65 65 GLN CB C 65 31.309 33.410 -2.101 1
1 833 . 14 1 1 A 65 65 GLN N N 65 121.059 116.087 4.972 1
1 835 . 14 1 1 A 66 66 GLU H H 66 8.365 8.531 -0.166 1
1 836 . 14 1 1 A 66 66 GLU HA H 66 4.320 4.736 -0.416 1
1 841 . 14 1 1 A 66 66 GLU C C 66 176.227 176.542 -0.315 1
1 842 . 14 1 1 A 66 66 GLU CA C 66 58.238 56.883 1.355 1
1 843 . 14 1 1 A 66 66 GLU CB C 66 32.567 30.349 2.218 1
1 845 . 14 1 1 A 66 66 GLU N N 66 123.061 121.550 1.511 1
1 846 . 14 1 1 A 67 67 ILE H H 67 9.350 9.187 0.163 1
1 847 . 14 1 1 A 67 67 ILE HA H 67 4.543 4.912 -0.369 1
1 857 . 14 1 1 A 67 67 ILE C C 67 178.127 175.300 2.827 1
1 858 . 14 1 1 A 67 67 ILE CA C 67 61.173 58.924 2.249 1
1 859 . 14 1 1 A 67 67 ILE CB C 67 41.460 41.507 -0.047 1
1 863 . 14 1 1 A 67 67 ILE N N 67 121.809 119.136 2.673 1
1 864 . 14 1 1 A 68 68 ASP H H 68 8.140 8.518 -0.378 1
1 865 . 14 1 1 A 68 68 ASP HA H 68 5.408 4.829 0.579 1
1 868 . 14 1 1 A 68 68 ASP C C 68 176.127 178.130 -2.003 1
1 869 . 14 1 1 A 68 68 ASP CA C 68 53.471 52.316 1.155 1
1 870 . 14 1 1 A 68 68 ASP CB C 68 43.898 40.941 2.957 1
1 871 . 14 1 1 A 68 68 ASP N N 68 122.626 123.023 -0.397 1
1 872 . 14 1 1 A 69 69 PHE H H 69 9.486 8.159 1.327 1
1 873 . 14 1 1 A 69 69 PHE HA H 69 3.397 4.190 -0.793 1
1 880 . 14 1 1 A 69 69 PHE C C 69 174.727 177.427 -2.700 1
1 881 . 14 1 1 A 69 69 PHE CA C 69 63.764 60.069 3.695 1
1 882 . 14 1 1 A 69 69 PHE CB C 69 42.009 37.864 4.145 1
1 883 . 14 1 1 A 69 69 PHE N N 69 118.584 118.405 0.179 1
1 884 . 14 1 1 A 70 70 LYS H H 70 7.510 8.041 -0.531 1
1 885 . 14 1 1 A 70 70 LYS HA H 70 3.633 4.365 -0.732 1
1 894 . 14 1 1 A 70 70 LYS C C 70 173.627 178.803 -5.176 1
1 895 . 14 1 1 A 70 70 LYS CA C 70 61.940 59.275 2.665 1
1 896 . 14 1 1 A 70 70 LYS CB C 70 33.189 32.936 0.253 1
1 900 . 14 1 1 A 70 70 LYS N N 70 117.327 119.860 -2.533 1
1 901 . 14 1 1 A 71 71 GLU H H 71 8.151 7.624 0.527 1
1 902 . 14 1 1 A 71 71 GLU HA H 71 3.930 4.070 -0.140 1
1 907 . 14 1 1 A 71 71 GLU C C 71 173.127 178.828 -5.701 1
1 908 . 14 1 1 A 71 71 GLU CA C 71 61.000 59.650 1.350 1
1 909 . 14 1 1 A 71 71 GLU CB C 71 31.639 29.456 2.183 1
1 911 . 14 1 1 A 71 71 GLU N N 71 120.925 118.515 2.410 1
1 912 . 14 1 1 A 72 72 TYR H H 72 8.454 7.737 0.717 1
1 913 . 14 1 1 A 72 72 TYR HA H 72 4.047 4.222 -0.175 1
1 920 . 14 1 1 A 72 72 TYR C C 72 177.227 177.714 -0.487 1
1 921 . 14 1 1 A 72 72 TYR CA C 72 62.068 61.244 0.824 1
1 922 . 14 1 1 A 72 72 TYR CB C 72 39.522 38.400 1.122 1
1 923 . 14 1 1 A 72 72 TYR N N 72 123.271 122.413 0.858 1
1 924 . 14 1 1 A 73 73 SER H H 73 7.990 8.051 -0.061 1
1 925 . 14 1 1 A 73 73 SER HA H 73 3.245 3.947 -0.702 1
1 928 . 14 1 1 A 73 73 SER C C 73 174.327 176.516 -2.189 1
1 929 . 14 1 1 A 73 73 SER CA C 73 62.841 61.475 1.366 1
1 930 . 14 1 1 A 73 73 SER CB C 73 64.317 62.928 1.389 1
1 931 . 14 1 1 A 73 73 SER N N 73 115.432 114.744 0.688 1
1 932 . 14 1 1 A 74 74 VAL H H 74 8.112 8.190 -0.078 1
1 933 . 14 1 1 A 74 74 VAL HA H 74 3.375 3.828 -0.453 1
1 941 . 14 1 1 A 74 74 VAL C C 74 174.427 178.192 -3.765 1
1 942 . 14 1 1 A 74 74 VAL CA C 74 68.677 65.857 2.820 1
1 943 . 14 1 1 A 74 74 VAL CB C 74 33.164 31.342 1.822 1
1 946 . 14 1 1 A 74 74 VAL N N 74 123.807 118.937 4.870 1
1 947 . 14 1 1 A 75 75 PHE H H 75 8.149 8.480 -0.331 1
1 948 . 14 1 1 A 75 75 PHE HA H 75 3.878 4.220 -0.342 1
1 955 . 14 1 1 A 75 75 PHE C C 75 174.627 176.913 -2.286 1
1 956 . 14 1 1 A 75 75 PHE CA C 75 64.444 61.454 2.990 1
1 957 . 14 1 1 A 75 75 PHE CB C 75 40.823 38.951 1.872 1
1 958 . 14 1 1 A 75 75 PHE N N 75 122.351 124.083 -1.732 1
1 959 . 14 1 1 A 76 76 LEU H H 76 8.141 8.503 -0.362 1
1 960 . 14 1 1 A 76 76 LEU HA H 76 3.648 3.944 -0.296 1
1 970 . 14 1 1 A 76 76 LEU C C 76 173.327 179.314 -5.987 1
1 971 . 14 1 1 A 76 76 LEU CA C 76 59.810 57.947 1.863 1
1 972 . 14 1 1 A 76 76 LEU CB C 76 42.994 41.470 1.524 1
1 976 . 14 1 1 A 76 76 LEU N N 76 116.801 119.555 -2.754 1
1 977 . 14 1 1 A 77 77 THR H H 77 8.005 8.102 -0.097 1
1 978 . 14 1 1 A 77 77 THR HA H 77 3.561 3.792 -0.231 1
1 984 . 14 1 1 A 77 77 THR C C 77 176.427 176.187 0.240 1
1 985 . 14 1 1 A 77 77 THR CA C 77 69.876 66.647 3.229 1
1 986 . 14 1 1 A 77 77 THR CB C 77 71.163 68.183 2.980 1
1 988 . 14 1 1 A 77 77 THR N N 77 116.415 116.241 0.174 1
1 989 . 14 1 1 A 78 78 MET H H 78 8.059 8.236 -0.177 1
1 990 . 14 1 1 A 78 78 MET HA H 78 3.771 4.153 -0.382 1
1 995 . 14 1 1 A 78 78 MET C C 78 172.927 178.438 -5.511 1
1 996 . 14 1 1 A 78 78 MET CA C 78 60.751 57.891 2.860 1
1 997 . 14 1 1 A 78 78 MET CB C 78 33.255 32.058 1.197 1
1 999 . 14 1 1 A 78 78 MET N N 78 120.960 119.894 1.066 1
1 1000 . 14 1 1 A 79 79 LEU H H 79 8.007 8.325 -0.318 1
1 1001 . 14 1 1 A 79 79 LEU HA H 79 3.646 3.961 -0.315 1
1 1011 . 14 1 1 A 79 79 LEU C C 79 174.527 178.583 -4.056 1
1 1012 . 14 1 1 A 79 79 LEU CA C 79 59.756 57.470 2.286 1
1 1013 . 14 1 1 A 79 79 LEU CB C 79 42.961 41.400 1.561 1
1 1017 . 14 1 1 A 79 79 LEU N N 79 120.772 120.712 0.060 1
1 1018 . 14 1 1 A 80 80 CYS H H 80 8.268 8.017 0.251 1
1 1019 . 14 1 1 A 80 80 CYS HA H 80 3.344 3.879 -0.535 1
1 1022 . 14 1 1 A 80 80 CYS C C 80 176.127 176.895 -0.768 1
1 1023 . 14 1 1 A 80 80 CYS CA C 80 64.083 62.465 1.618 1
1 1024 . 14 1 1 A 80 80 CYS CB C 80 28.199 26.757 1.442 1
1 1025 . 14 1 1 A 80 80 CYS N N 80 118.257 118.737 -0.480 1
1 1026 . 14 1 1 A 81 81 MET H H 81 7.600 8.081 -0.481 1
1 1027 . 14 1 1 A 81 81 MET HA H 81 3.242 4.288 -1.046 1
1 1035 . 14 1 1 A 81 81 MET C C 81 176.227 178.158 -1.931 1
1 1036 . 14 1 1 A 81 81 MET CA C 81 60.091 57.695 2.396 1
1 1037 . 14 1 1 A 81 81 MET CB C 81 34.090 32.449 1.641 1
1 1040 . 14 1 1 A 81 81 MET N N 81 114.515 120.133 -5.618 1
1 1041 . 14 1 1 A 82 82 ALA H H 82 7.299 7.562 -0.263 1
1 1042 . 14 1 1 A 82 82 ALA HA H 82 4.121 4.195 -0.074 1
1 1046 . 14 1 1 A 82 82 ALA C C 82 173.827 177.190 -3.363 1
1 1047 . 14 1 1 A 82 82 ALA CA C 82 54.930 54.084 0.846 1
1 1048 . 14 1 1 A 82 82 ALA CB C 82 20.641 18.840 1.801 1
1 1049 . 14 1 1 A 82 82 ALA N N 82 118.977 120.816 -1.839 1
1 1050 . 14 1 1 A 83 83 TYR H H 83 7.623 7.264 0.359 1
1 1051 . 14 1 1 A 83 83 TYR HA H 83 4.771 4.911 -0.140 1
1 1058 . 14 1 1 A 83 83 TYR CA C 83 59.333 56.949 2.384 1
1 1059 . 14 1 1 A 83 83 TYR CB C 83 41.599 40.223 1.376 1
1 1060 . 14 1 1 A 83 83 TYR N N 83 113.311 114.166 -0.855 1
1 1061 . 14 1 1 A 84 84 ASN HA H 84 4.534 4.794 -0.260 1
1 1064 . 14 1 1 A 84 84 ASN CA C 84 56.126 51.819 4.307 1
1 1065 . 14 1 1 A 84 84 ASN CB C 84 41.990 38.367 3.623 1
1 1066 . 14 1 1 A 85 85 ASP H H 85 8.681 8.198 0.483 1
1 1067 . 14 1 1 A 85 85 ASP HA H 85 4.086 4.241 -0.155 1
1 1070 . 14 1 1 A 85 85 ASP CA C 85 58.457 56.567 1.890 1
1 1071 . 14 1 1 A 85 85 ASP CB C 85 42.260 39.663 2.597 1
1 1072 . 14 1 1 A 85 85 ASP N N 85 126.079 120.271 5.808 1
1 1073 . 14 1 1 A 86 86 PHE H H 86 8.672 7.959 0.713 1
1 1074 . 14 1 1 A 86 86 PHE HA H 86 3.744 4.311 -0.567 1
1 1081 . 14 1 1 A 86 86 PHE C C 86 176.827 176.914 -0.087 1
1 1082 . 14 1 1 A 86 86 PHE CA C 86 62.903 60.467 2.436 1
1 1083 . 14 1 1 A 86 86 PHE CB C 86 41.596 38.254 3.342 1
1 1084 . 14 1 1 A 86 86 PHE N N 86 121.950 117.210 4.740 1
1 1085 . 14 1 1 A 87 87 PHE H H 87 7.225 7.608 -0.383 1
1 1086 . 14 1 1 A 87 87 PHE HA H 87 3.836 4.780 -0.944 1
1 1093 . 14 1 1 A 87 87 PHE C C 87 176.927 175.331 1.596 1
1 1094 . 14 1 1 A 87 87 PHE CA C 87 60.422 57.292 3.130 1
1 1095 . 14 1 1 A 87 87 PHE CB C 87 41.081 39.784 1.297 1
1 1096 . 14 1 1 A 87 87 PHE N N 87 110.928 116.505 -5.577 1
1 1097 . 14 1 1 A 88 88 LEU H H 88 7.130 7.385 -0.255 1
1 1098 . 14 1 1 A 88 88 LEU HA H 88 4.169 4.684 -0.515 1
1 1108 . 14 1 1 A 88 88 LEU C C 88 175.027 176.951 -1.924 1
1 1109 . 14 1 1 A 88 88 LEU CA C 88 56.962 53.601 3.361 1
1 1110 . 14 1 1 A 88 88 LEU CB C 88 44.199 42.851 1.348 1
1 1114 . 14 1 1 A 88 88 LEU N N 88 119.732 119.690 0.042 1
1 1115 . 14 1 1 A 89 89 GLU H H 89 8.097 8.790 -0.693 1
1 1116 . 14 1 1 A 89 89 GLU HA H 89 4.087 4.606 -0.519 1
1 1121 . 14 1 1 A 89 89 GLU C C 89 176.427 175.567 0.860 1
1 1122 . 14 1 1 A 89 89 GLU CA C 89 58.216 55.939 2.277 1
1 1123 . 14 1 1 A 89 89 GLU CB C 89 32.309 30.849 1.460 1
1 1125 . 14 1 1 A 89 89 GLU N N 89 121.626 120.513 1.113 1
1 1126 . 14 1 1 A 90 90 ASP H H 90 8.243 7.930 0.313 1
1 1127 . 14 1 1 A 90 90 ASP HA H 90 4.425 4.923 -0.498 1
1 1130 . 14 1 1 A 90 90 ASP C C 90 176.527 175.670 0.857 1
1 1131 . 14 1 1 A 90 90 ASP CA C 90 55.815 55.695 0.120 1
1 1132 . 14 1 1 A 90 90 ASP CB C 90 42.874 42.635 0.239 1
1 1133 . 14 1 1 A 90 90 ASP N N 90 121.280 120.021 1.259 1
1 1134 . 14 1 1 A 91 91 ASN H H 91 8.267 7.671 0.596 1
1 1135 . 14 1 1 A 91 91 ASN HA H 91 4.563 4.765 -0.202 1
1 1140 . 14 1 1 A 91 91 ASN C C 91 178.127 174.628 3.499 1
1 1141 . 14 1 1 A 91 91 ASN CA C 91 54.928 54.342 0.586 1
1 1142 . 14 1 1 A 91 91 ASN CB C 91 40.529 41.005 -0.476 1
1 1143 . 14 1 1 A 91 91 ASN N N 91 119.209 116.268 2.941 1
1 14 . 15 1 1 A 2 2 GLU H H 2 8.722 8.136 0.586 1
1 15 . 15 1 1 A 2 2 GLU HA H 2 4.557 4.526 0.031 1
1 20 . 15 1 1 A 2 2 GLU C C 2 175.827 176.363 -0.536 1
1 21 . 15 1 1 A 2 2 GLU CA C 2 58.063 56.020 2.043 1
1 22 . 15 1 1 A 2 2 GLU CB C 2 33.147 30.734 2.413 1
1 24 . 15 1 1 A 2 2 GLU N N 2 124.627 115.259 9.368 1
1 25 . 15 1 1 A 3 3 THR H H 3 8.670 6.878 1.792 1
1 26 . 15 1 1 A 3 3 THR HA H 3 4.616 4.673 -0.057 1
1 31 . 15 1 1 A 3 3 THR CA C 3 61.734 60.167 1.567 1
1 32 . 15 1 1 A 3 3 THR CB C 3 70.590 69.953 0.637 1
1 34 . 15 1 1 A 3 3 THR N N 3 116.274 110.671 5.603 1
1 35 . 15 1 1 A 4 4 PRO HA H 4 4.161 4.475 -0.314 1
1 42 . 15 1 1 A 4 4 PRO C C 4 172.227 178.173 -5.946 1
1 43 . 15 1 1 A 4 4 PRO CA C 4 68.211 65.396 2.815 1
1 44 . 15 1 1 A 4 4 PRO CB C 4 33.796 31.858 1.938 1
1 47 . 15 1 1 A 5 5 LEU H H 5 9.207 7.702 1.505 1
1 48 . 15 1 1 A 5 5 LEU HA H 5 4.038 4.027 0.011 1
1 58 . 15 1 1 A 5 5 LEU C C 5 174.327 178.331 -4.004 1
1 59 . 15 1 1 A 5 5 LEU CA C 5 59.483 57.385 2.098 1
1 60 . 15 1 1 A 5 5 LEU CB C 5 43.877 41.745 2.132 1
1 64 . 15 1 1 A 5 5 LEU N N 5 119.157 117.660 1.497 1
1 65 . 15 1 1 A 6 6 GLU H H 6 7.661 8.245 -0.584 1
1 66 . 15 1 1 A 6 6 GLU HA H 6 3.755 3.982 -0.227 1
1 71 . 15 1 1 A 6 6 GLU C C 6 172.727 178.944 -6.217 1
1 72 . 15 1 1 A 6 6 GLU CA C 6 61.953 59.491 2.462 1
1 73 . 15 1 1 A 6 6 GLU CB C 6 31.354 29.535 1.819 1
1 75 . 15 1 1 A 6 6 GLU N N 6 119.837 118.988 0.849 1
1 76 . 15 1 1 A 7 7 LYS H H 7 8.430 7.656 0.774 1
1 77 . 15 1 1 A 7 7 LYS HA H 7 3.921 4.031 -0.110 1
1 86 . 15 1 1 A 7 7 LYS C C 7 172.927 179.032 -6.105 1
1 87 . 15 1 1 A 7 7 LYS CA C 7 61.312 59.013 2.299 1
1 88 . 15 1 1 A 7 7 LYS CB C 7 33.861 32.063 1.798 1
1 92 . 15 1 1 A 7 7 LYS N N 7 119.023 119.256 -0.233 1
1 93 . 15 1 1 A 8 8 ALA H H 8 8.079 8.118 -0.039 1
1 94 . 15 1 1 A 8 8 ALA HA H 8 4.085 4.023 0.062 1
1 98 . 15 1 1 A 8 8 ALA C C 8 173.027 180.204 -7.177 1
1 99 . 15 1 1 A 8 8 ALA CA C 8 56.967 54.990 1.977 1
1 100 . 15 1 1 A 8 8 ALA CB C 8 20.140 18.438 1.702 1
1 101 . 15 1 1 A 8 8 ALA N N 8 123.824 122.305 1.519 1
1 102 . 15 1 1 A 9 9 LEU H H 9 8.032 7.770 0.262 1
1 103 . 15 1 1 A 9 9 LEU HA H 9 4.061 3.908 0.153 1
1 113 . 15 1 1 A 9 9 LEU C C 9 172.527 179.108 -6.581 1
1 114 . 15 1 1 A 9 9 LEU CA C 9 60.071 57.917 2.154 1
1 115 . 15 1 1 A 9 9 LEU CB C 9 42.714 42.127 0.587 1
1 119 . 15 1 1 A 9 9 LEU N N 9 118.643 117.934 0.709 1
1 120 . 15 1 1 A 10 10 THR H H 10 8.686 8.343 0.343 1
1 121 . 15 1 1 A 10 10 THR HA H 10 3.798 3.915 -0.117 1
1 126 . 15 1 1 A 10 10 THR C C 10 175.127 176.525 -1.398 1
1 127 . 15 1 1 A 10 10 THR CA C 10 69.282 66.531 2.751 1
1 128 . 15 1 1 A 10 10 THR CB C 10 70.132 68.537 1.595 1
1 130 . 15 1 1 A 10 10 THR N N 10 117.087 115.340 1.747 1
1 131 . 15 1 1 A 11 11 THR H H 11 8.628 8.074 0.554 1
1 132 . 15 1 1 A 11 11 THR HA H 11 3.961 3.895 0.066 1
1 137 . 15 1 1 A 11 11 THR C C 11 174.427 176.768 -2.341 1
1 138 . 15 1 1 A 11 11 THR CA C 11 68.408 67.053 1.355 1
1 139 . 15 1 1 A 11 11 THR CB C 11 69.107 68.368 0.739 1
1 141 . 15 1 1 A 11 11 THR N N 11 120.770 116.638 4.132 1
1 142 . 15 1 1 A 12 12 MET H H 12 8.390 8.316 0.074 1
1 143 . 15 1 1 A 12 12 MET HA H 12 3.956 4.394 -0.438 1
1 151 . 15 1 1 A 12 12 MET C C 12 175.127 178.512 -3.385 1
1 152 . 15 1 1 A 12 12 MET CA C 12 62.750 57.289 5.461 1
1 153 . 15 1 1 A 12 12 MET CB C 12 34.952 32.220 2.732 1
1 156 . 15 1 1 A 12 12 MET N N 12 124.388 118.892 5.496 1
1 157 . 15 1 1 A 13 13 VAL H H 13 8.104 8.594 -0.490 1
1 158 . 15 1 1 A 13 13 VAL HA H 13 3.576 4.088 -0.512 1
1 166 . 15 1 1 A 13 13 VAL C C 13 175.327 178.142 -2.815 1
1 167 . 15 1 1 A 13 13 VAL CA C 13 68.958 65.891 3.067 1
1 168 . 15 1 1 A 13 13 VAL CB C 13 33.703 31.518 2.185 1
1 171 . 15 1 1 A 13 13 VAL N N 13 121.753 116.686 5.067 1
1 172 . 15 1 1 A 14 14 THR H H 14 9.186 8.367 0.819 1
1 173 . 15 1 1 A 14 14 THR HA H 14 3.774 4.033 -0.259 1
1 178 . 15 1 1 A 14 14 THR C C 14 173.927 177.056 -3.129 1
1 179 . 15 1 1 A 14 14 THR CA C 14 67.955 66.278 1.677 1
1 180 . 15 1 1 A 14 14 THR CB C 14 70.504 68.853 1.651 1
1 182 . 15 1 1 A 14 14 THR N N 14 114.911 116.423 -1.512 1
1 183 . 15 1 1 A 15 15 THR H H 15 8.453 8.347 0.106 1
1 184 . 15 1 1 A 15 15 THR HA H 15 3.859 4.206 -0.347 1
1 190 . 15 1 1 A 15 15 THR C C 15 178.127 176.762 1.365 1
1 191 . 15 1 1 A 15 15 THR CA C 15 69.609 65.846 3.763 1
1 192 . 15 1 1 A 15 15 THR CB C 15 70.511 68.364 2.147 1
1 194 . 15 1 1 A 15 15 THR N N 15 118.791 112.088 6.703 1
1 195 . 15 1 1 A 16 16 PHE H H 16 7.207 8.456 -1.249 1
1 196 . 15 1 1 A 16 16 PHE HA H 16 3.572 4.051 -0.479 1
1 203 . 15 1 1 A 16 16 PHE C C 16 178.527 177.416 1.111 1
1 204 . 15 1 1 A 16 16 PHE CA C 16 64.090 61.620 2.470 1
1 205 . 15 1 1 A 16 16 PHE CB C 16 41.091 39.111 1.980 1
1 206 . 15 1 1 A 16 16 PHE N N 16 121.331 124.368 -3.037 1
1 207 . 15 1 1 A 17 17 HIS H H 17 8.393 8.563 -0.170 1
1 208 . 15 1 1 A 17 17 HIS HA H 17 5.329 4.195 1.134 1
1 211 . 15 1 1 A 17 17 HIS C C 17 174.627 177.330 -2.703 1
1 212 . 15 1 1 A 17 17 HIS CA C 17 56.667 60.246 -3.579 1
1 213 . 15 1 1 A 17 17 HIS CB C 17 32.397 29.907 2.490 1
1 214 . 15 1 1 A 17 17 HIS N N 17 117.858 119.002 -1.144 1
1 215 . 15 1 1 A 18 18 LYS H H 18 7.767 7.999 -0.232 1
1 216 . 15 1 1 A 18 18 LYS HA H 18 3.553 3.931 -0.378 1
1 225 . 15 1 1 A 18 18 LYS C C 18 175.527 176.967 -1.440 1
1 226 . 15 1 1 A 18 18 LYS CA C 18 61.301 58.754 2.547 1
1 227 . 15 1 1 A 18 18 LYS CB C 18 33.523 32.174 1.349 1
1 231 . 15 1 1 A 18 18 LYS N N 18 120.691 118.696 1.995 1
1 232 . 15 1 1 A 19 19 TYR H H 19 7.079 7.731 -0.652 1
1 233 . 15 1 1 A 19 19 TYR HA H 19 3.993 4.567 -0.574 1
1 240 . 15 1 1 A 19 19 TYR C C 19 174.227 176.619 -2.392 1
1 241 . 15 1 1 A 19 19 TYR CA C 19 61.287 58.919 2.368 1
1 242 . 15 1 1 A 19 19 TYR CB C 19 42.066 39.687 2.379 1
1 243 . 15 1 1 A 19 19 TYR N N 19 114.592 116.308 -1.716 1
1 244 . 15 1 1 A 20 20 SER H H 20 9.708 8.416 1.292 1
1 245 . 15 1 1 A 20 20 SER HA H 20 4.117 3.925 0.192 1
1 248 . 15 1 1 A 20 20 SER C C 20 175.227 176.940 -1.713 1
1 249 . 15 1 1 A 20 20 SER CA C 20 60.135 60.943 -0.808 1
1 250 . 15 1 1 A 20 20 SER CB C 20 63.159 62.329 0.830 1
1 251 . 15 1 1 A 20 20 SER N N 20 121.764 116.793 4.971 1
1 252 . 15 1 1 A 21 21 GLY H H 21 8.146 8.217 -0.071 1
1 253 . 15 1 1 A 21 21 GLY HA2 H 21 3.956 3.795 0.161 1
1 254 . 15 1 1 A 21 21 GLY HA3 H 21 3.571 4.073 -0.502 1
1 255 . 15 1 1 A 21 21 GLY C C 21 177.927 174.661 3.266 1
1 256 . 15 1 1 A 21 21 GLY CA C 21 46.646 45.448 1.198 1
1 257 . 15 1 1 A 21 21 GLY N N 21 106.982 107.257 -0.275 1
1 258 . 15 1 1 A 22 22 ARG H H 22 7.007 7.922 -0.915 1
1 259 . 15 1 1 A 22 22 ARG HA H 22 3.815 4.192 -0.377 1
1 266 . 15 1 1 A 22 22 ARG C C 22 175.927 175.898 0.029 1
1 267 . 15 1 1 A 22 22 ARG CA C 22 60.766 57.252 3.514 1
1 268 . 15 1 1 A 22 22 ARG CB C 22 32.302 30.889 1.413 1
1 271 . 15 1 1 A 22 22 ARG N N 22 118.055 119.069 -1.014 1
1 272 . 15 1 1 A 23 23 GLU H H 23 7.551 7.741 -0.190 1
1 273 . 15 1 1 A 23 23 GLU HA H 23 4.436 4.650 -0.214 1
1 278 . 15 1 1 A 23 23 GLU C C 23 177.727 176.437 1.290 1
1 279 . 15 1 1 A 23 23 GLU CA C 23 56.853 55.116 1.737 1
1 280 . 15 1 1 A 23 23 GLU CB C 23 33.988 31.253 2.735 1
1 282 . 15 1 1 A 23 23 GLU N N 23 114.631 117.029 -2.398 1
1 283 . 15 1 1 A 24 24 GLY H H 24 8.376 8.551 -0.175 1
1 284 . 15 1 1 A 24 24 GLY HA2 H 24 3.771 3.882 -0.111 1
1 285 . 15 1 1 A 24 24 GLY HA3 H 24 3.567 4.028 -0.461 1
1 286 . 15 1 1 A 24 24 GLY C C 24 177.127 173.729 3.398 1
1 287 . 15 1 1 A 24 24 GLY CA C 24 47.718 45.661 2.057 1
1 288 . 15 1 1 A 24 24 GLY N N 24 107.626 111.198 -3.572 1
1 289 . 15 1 1 A 25 25 SER H H 25 8.443 7.636 0.807 1
1 290 . 15 1 1 A 25 25 SER HA H 25 4.314 4.926 -0.612 1
1 293 . 15 1 1 A 25 25 SER C C 25 175.527 172.423 3.104 1
1 294 . 15 1 1 A 25 25 SER CA C 25 59.146 56.368 2.778 1
1 295 . 15 1 1 A 25 25 SER CB C 25 65.573 65.876 -0.303 1
1 296 . 15 1 1 A 25 25 SER N N 25 119.000 115.397 3.603 1
1 297 . 15 1 1 A 26 26 LYS H H 26 8.821 8.490 0.331 1
1 298 . 15 1 1 A 26 26 LYS HA H 26 4.307 4.726 -0.419 1
1 307 . 15 1 1 A 26 26 LYS C C 26 176.027 176.853 -0.826 1
1 308 . 15 1 1 A 26 26 LYS CA C 26 59.180 55.469 3.711 1
1 309 . 15 1 1 A 26 26 LYS CB C 26 33.211 32.808 0.403 1
1 313 . 15 1 1 A 26 26 LYS N N 26 126.125 123.362 2.763 1
1 314 . 15 1 1 A 27 27 LEU H H 27 8.237 7.767 0.470 1
1 315 . 15 1 1 A 27 27 LEU HA H 27 4.534 4.060 0.474 1
1 325 . 15 1 1 A 27 27 LEU C C 27 175.627 175.599 0.028 1
1 326 . 15 1 1 A 27 27 LEU CA C 27 56.384 54.334 2.050 1
1 327 . 15 1 1 A 27 27 LEU CB C 27 44.218 44.003 0.215 1
1 331 . 15 1 1 A 27 27 LEU N N 27 117.484 116.415 1.069 1
1 332 . 15 1 1 A 28 28 THR H H 28 7.386 7.777 -0.391 1
1 333 . 15 1 1 A 28 28 THR HA H 28 5.517 5.506 0.011 1
1 338 . 15 1 1 A 28 28 THR C C 28 180.227 172.796 7.431 1
1 339 . 15 1 1 A 28 28 THR CA C 28 61.014 59.884 1.130 1
1 340 . 15 1 1 A 28 28 THR CB C 28 75.348 71.818 3.530 1
1 342 . 15 1 1 A 28 28 THR N N 28 106.230 109.681 -3.451 1
1 343 . 15 1 1 A 29 29 LEU H H 29 8.721 8.783 -0.062 1
1 344 . 15 1 1 A 29 29 LEU HA H 29 4.713 4.738 -0.025 1
1 354 . 15 1 1 A 29 29 LEU C C 29 176.927 175.480 1.447 1
1 355 . 15 1 1 A 29 29 LEU CA C 29 55.163 53.718 1.445 1
1 356 . 15 1 1 A 29 29 LEU CB C 29 46.059 44.510 1.549 1
1 360 . 15 1 1 A 29 29 LEU N N 29 116.728 119.434 -2.706 1
1 361 . 15 1 1 A 30 30 SER H H 30 8.866 8.585 0.281 1
1 362 . 15 1 1 A 30 30 SER HA H 30 4.942 5.031 -0.089 1
1 365 . 15 1 1 A 30 30 SER C C 30 176.327 175.847 0.480 1
1 366 . 15 1 1 A 30 30 SER CA C 30 59.032 56.847 2.185 1
1 367 . 15 1 1 A 30 30 SER CB C 30 67.150 65.646 1.504 1
1 368 . 15 1 1 A 30 30 SER N N 30 117.110 115.218 1.892 1
1 369 . 15 1 1 A 31 31 ARG H H 31 8.393 9.040 -0.647 1
1 370 . 15 1 1 A 31 31 ARG HA H 31 3.695 3.856 -0.161 1
1 377 . 15 1 1 A 31 31 ARG C C 31 174.127 177.959 -3.832 1
1 378 . 15 1 1 A 31 31 ARG CA C 31 62.776 59.891 2.885 1
1 379 . 15 1 1 A 31 31 ARG CB C 31 31.601 29.808 1.793 1
1 382 . 15 1 1 A 31 31 ARG N N 31 121.109 121.031 0.078 1
1 383 . 15 1 1 A 32 32 LYS H H 32 8.264 7.906 0.358 1
1 384 . 15 1 1 A 32 32 LYS HA H 32 3.912 3.966 -0.054 1
1 393 . 15 1 1 A 32 32 LYS C C 32 172.827 178.960 -6.133 1
1 394 . 15 1 1 A 32 32 LYS CA C 32 61.591 59.746 1.845 1
1 395 . 15 1 1 A 32 32 LYS CB C 32 34.116 32.183 1.933 1
1 399 . 15 1 1 A 32 32 LYS N N 32 118.536 119.693 -1.157 1
1 400 . 15 1 1 A 33 33 GLU H H 33 7.790 7.811 -0.021 1
1 401 . 15 1 1 A 33 33 GLU HA H 33 4.049 4.075 -0.026 1
1 406 . 15 1 1 A 33 33 GLU C C 33 174.327 178.509 -4.182 1
1 407 . 15 1 1 A 33 33 GLU CA C 33 60.634 58.629 2.005 1
1 408 . 15 1 1 A 33 33 GLU CB C 33 31.617 29.309 2.308 1
1 410 . 15 1 1 A 33 33 GLU N N 33 121.557 119.681 1.876 1
1 411 . 15 1 1 A 34 34 LEU H H 34 8.388 8.382 0.006 1
1 412 . 15 1 1 A 34 34 LEU HA H 34 3.844 3.824 0.020 1
1 422 . 15 1 1 A 34 34 LEU C C 34 174.927 178.026 -3.099 1
1 423 . 15 1 1 A 34 34 LEU CA C 34 59.173 57.737 1.436 1
1 424 . 15 1 1 A 34 34 LEU CB C 34 42.053 41.512 0.541 1
1 428 . 15 1 1 A 34 34 LEU N N 34 120.999 121.430 -0.431 1
1 429 . 15 1 1 A 35 35 LYS H H 35 7.817 7.775 0.042 1
1 430 . 15 1 1 A 35 35 LYS HA H 35 3.478 3.914 -0.436 1
1 439 . 15 1 1 A 35 35 LYS C C 35 174.627 178.855 -4.228 1
1 440 . 15 1 1 A 35 35 LYS CA C 35 62.312 58.913 3.399 1
1 441 . 15 1 1 A 35 35 LYS CB C 35 33.814 31.817 1.997 1
1 445 . 15 1 1 A 35 35 LYS N N 35 118.738 117.441 1.297 1
1 446 . 15 1 1 A 36 36 GLU H H 36 7.208 7.615 -0.407 1
1 447 . 15 1 1 A 36 36 GLU HA H 36 3.801 3.952 -0.151 1
1 452 . 15 1 1 A 36 36 GLU C C 36 175.227 178.213 -2.986 1
1 453 . 15 1 1 A 36 36 GLU CA C 36 61.015 58.923 2.092 1
1 454 . 15 1 1 A 36 36 GLU CB C 36 30.770 29.456 1.314 1
1 456 . 15 1 1 A 36 36 GLU N N 36 118.771 119.354 -0.583 1
1 457 . 15 1 1 A 37 37 LEU H H 37 8.038 7.979 0.059 1
1 458 . 15 1 1 A 37 37 LEU HA H 37 3.178 2.939 0.239 1
1 468 . 15 1 1 A 37 37 LEU C C 37 172.927 178.100 -5.173 1
1 469 . 15 1 1 A 37 37 LEU CA C 37 60.915 57.811 3.104 1
1 470 . 15 1 1 A 37 37 LEU CB C 37 43.352 41.051 2.301 1
1 474 . 15 1 1 A 37 37 LEU N N 37 121.767 120.135 1.632 1
1 475 . 15 1 1 A 38 38 ILE H H 38 8.224 7.972 0.252 1
1 476 . 15 1 1 A 38 38 ILE HA H 38 3.234 3.594 -0.360 1
1 486 . 15 1 1 A 38 38 ILE C C 38 174.727 178.865 -4.138 1
1 487 . 15 1 1 A 38 38 ILE CA C 38 66.464 65.276 1.188 1
1 488 . 15 1 1 A 38 38 ILE CB C 38 38.799 37.666 1.133 1
1 492 . 15 1 1 A 38 38 ILE N N 38 119.417 119.926 -0.509 1
1 493 . 15 1 1 A 39 39 LYS H H 39 7.700 7.817 -0.117 1
1 494 . 15 1 1 A 39 39 LYS HA H 39 3.894 4.224 -0.330 1
1 503 . 15 1 1 A 39 39 LYS C C 39 173.727 177.076 -3.349 1
1 504 . 15 1 1 A 39 39 LYS CA C 39 61.015 58.245 2.770 1
1 505 . 15 1 1 A 39 39 LYS CB C 39 34.100 32.008 2.092 1
1 509 . 15 1 1 A 39 39 LYS N N 39 117.277 119.174 -1.897 1
1 510 . 15 1 1 A 40 40 LYS H H 40 8.170 7.609 0.561 1
1 511 . 15 1 1 A 40 40 LYS HA H 40 4.226 4.442 -0.216 1
1 520 . 15 1 1 A 40 40 LYS C C 40 173.427 177.919 -4.492 1
1 521 . 15 1 1 A 40 40 LYS CA C 40 59.251 57.295 1.956 1
1 522 . 15 1 1 A 40 40 LYS CB C 40 35.528 34.553 0.975 1
1 526 . 15 1 1 A 40 40 LYS N N 40 115.146 117.770 -2.624 1
1 527 . 15 1 1 A 41 41 GLU H H 41 8.778 8.377 0.401 1
1 528 . 15 1 1 A 41 41 GLU HA H 41 4.629 4.203 0.426 1
1 533 . 15 1 1 A 41 41 GLU C C 41 175.527 178.048 -2.521 1
1 534 . 15 1 1 A 41 41 GLU CA C 41 57.177 59.223 -2.046 1
1 535 . 15 1 1 A 41 41 GLU CB C 41 31.656 29.738 1.918 1
1 537 . 15 1 1 A 41 41 GLU N N 41 113.604 118.766 -5.162 1
1 538 . 15 1 1 A 42 42 LEU H H 42 7.610 7.971 -0.361 1
1 539 . 15 1 1 A 42 42 LEU HA H 42 4.475 4.393 0.082 1
1 549 . 15 1 1 A 42 42 LEU C C 42 177.227 176.723 0.504 1
1 550 . 15 1 1 A 42 42 LEU CA C 42 56.047 56.875 -0.828 1
1 551 . 15 1 1 A 42 42 LEU CB C 42 45.748 44.040 1.708 1
1 555 . 15 1 1 A 42 42 LEU N N 42 118.997 120.091 -1.094 1
1 556 . 15 1 1 A 43 43 CYS H H 43 8.501 8.471 0.030 1
1 557 . 15 1 1 A 43 43 CYS HA H 43 4.397 4.457 -0.060 1
1 560 . 15 1 1 A 43 43 CYS C C 43 177.327 175.557 1.770 1
1 561 . 15 1 1 A 43 43 CYS CA C 43 60.023 60.743 -0.720 1
1 562 . 15 1 1 A 43 43 CYS CB C 43 27.915 27.396 0.519 1
1 563 . 15 1 1 A 43 43 CYS N N 43 119.622 118.534 1.088 1
1 564 . 15 1 1 A 44 44 LEU H H 44 8.200 8.386 -0.186 1
1 565 . 15 1 1 A 44 44 LEU HA H 44 3.979 4.184 -0.205 1
1 575 . 15 1 1 A 44 44 LEU C C 44 173.927 177.936 -4.009 1
1 576 . 15 1 1 A 44 44 LEU CA C 44 57.244 57.481 -0.237 1
1 577 . 15 1 1 A 44 44 LEU CB C 44 43.622 41.575 2.047 1
1 581 . 15 1 1 A 44 44 LEU N N 44 121.955 118.980 2.975 1
1 582 . 15 1 1 A 45 45 GLY H H 45 8.244 8.853 -0.609 1
1 583 . 15 1 1 A 45 45 GLY HA2 H 45 3.849 3.912 -0.063 1
1 584 . 15 1 1 A 45 45 GLY HA3 H 45 3.789 4.023 -0.234 1
1 585 . 15 1 1 A 45 45 GLY C C 45 178.027 174.899 3.128 1
1 586 . 15 1 1 A 45 45 GLY CA C 45 47.023 46.709 0.314 1
1 587 . 15 1 1 A 45 45 GLY N N 45 107.702 109.163 -1.461 1
1 588 . 15 1 1 A 46 46 GLU H H 46 8.286 8.413 -0.127 1
1 589 . 15 1 1 A 46 46 GLU HA H 46 4.039 4.536 -0.497 1
1 594 . 15 1 1 A 46 46 GLU C C 46 175.127 178.003 -2.876 1
1 595 . 15 1 1 A 46 46 GLU CA C 46 59.176 56.696 2.480 1
1 596 . 15 1 1 A 46 46 GLU CB C 46 31.361 32.107 -0.746 1
1 598 . 15 1 1 A 46 46 GLU N N 46 119.602 119.326 0.276 1
1 599 . 15 1 1 A 47 47 MET H H 47 8.048 8.187 -0.139 1
1 600 . 15 1 1 A 47 47 MET HA H 47 4.229 4.241 -0.012 1
1 608 . 15 1 1 A 47 47 MET C C 47 175.727 175.524 0.203 1
1 609 . 15 1 1 A 47 47 MET CA C 47 58.183 57.841 0.342 1
1 610 . 15 1 1 A 47 47 MET CB C 47 34.087 32.684 1.403 1
1 613 . 15 1 1 A 47 47 MET N N 47 119.617 119.236 0.381 1
1 614 . 15 1 1 A 48 48 LYS H H 48 8.221 8.086 0.135 1
1 615 . 15 1 1 A 48 48 LYS HA H 48 4.217 4.577 -0.360 1
1 624 . 15 1 1 A 48 48 LYS C C 48 174.927 176.397 -1.470 1
1 625 . 15 1 1 A 48 48 LYS CA C 48 58.304 54.765 3.539 1
1 626 . 15 1 1 A 48 48 LYS CB C 48 34.548 34.091 0.457 1
1 630 . 15 1 1 A 48 48 LYS N N 48 120.987 118.217 2.770 1
1 631 . 15 1 1 A 49 49 GLU H H 49 8.346 8.826 -0.480 1
1 632 . 15 1 1 A 49 49 GLU HA H 49 3.922 4.359 -0.437 1
1 637 . 15 1 1 A 49 49 GLU C C 49 174.427 176.144 -1.717 1
1 638 . 15 1 1 A 49 49 GLU CA C 49 60.298 58.721 1.577 1
1 639 . 15 1 1 A 49 49 GLU CB C 49 31.065 29.672 1.393 1
1 641 . 15 1 1 A 49 49 GLU N N 49 121.867 121.818 0.049 1
1 642 . 15 1 1 A 50 50 SER H H 50 8.348 7.783 0.565 1
1 643 . 15 1 1 A 50 50 SER HA H 50 4.172 4.604 -0.432 1
1 647 . 15 1 1 A 50 50 SER C C 50 176.027 175.167 0.860 1
1 648 . 15 1 1 A 50 50 SER CA C 50 62.548 56.301 6.247 1
1 649 . 15 1 1 A 50 50 SER CB C 50 64.840 65.013 -0.173 1
1 650 . 15 1 1 A 50 50 SER N N 50 115.695 115.914 -0.219 1
1 651 . 15 1 1 A 51 51 SER H H 51 7.980 8.622 -0.642 1
1 652 . 15 1 1 A 51 51 SER HA H 51 4.258 4.121 0.137 1
1 655 . 15 1 1 A 51 51 SER C C 51 174.427 175.057 -0.630 1
1 656 . 15 1 1 A 51 51 SER CA C 51 62.828 61.147 1.681 1
1 657 . 15 1 1 A 51 51 SER CB C 51 64.749 60.910 3.839 1
1 658 . 15 1 1 A 51 51 SER N N 51 117.126 114.962 2.164 1
1 659 . 15 1 1 A 52 52 ILE H H 52 7.365 8.312 -0.947 1
1 660 . 15 1 1 A 52 52 ILE HA H 52 4.038 3.838 0.200 1
1 670 . 15 1 1 A 52 52 ILE C C 52 175.627 177.669 -2.042 1
1 671 . 15 1 1 A 52 52 ILE CA C 52 64.609 64.347 0.262 1
1 672 . 15 1 1 A 52 52 ILE CB C 52 39.272 37.787 1.485 1
1 676 . 15 1 1 A 52 52 ILE N N 52 117.484 120.804 -3.320 1
1 677 . 15 1 1 A 53 53 ASP H H 53 7.681 8.272 -0.591 1
1 678 . 15 1 1 A 53 53 ASP HA H 53 4.214 4.381 -0.167 1
1 681 . 15 1 1 A 53 53 ASP C C 53 174.027 178.050 -4.023 1
1 682 . 15 1 1 A 53 53 ASP CA C 53 59.799 56.910 2.889 1
1 683 . 15 1 1 A 53 53 ASP CB C 53 42.927 40.538 2.389 1
1 684 . 15 1 1 A 53 53 ASP N N 53 121.969 122.166 -0.197 1
1 685 . 15 1 1 A 54 54 ASP H H 54 8.227 8.284 -0.057 1
1 686 . 15 1 1 A 54 54 ASP HA H 54 4.231 4.346 -0.115 1
1 689 . 15 1 1 A 54 54 ASP C C 54 172.927 178.886 -5.959 1
1 690 . 15 1 1 A 54 54 ASP CA C 54 59.507 57.853 1.654 1
1 691 . 15 1 1 A 54 54 ASP CB C 54 41.818 41.321 0.497 1
1 692 . 15 1 1 A 54 54 ASP N N 54 118.083 119.625 -1.542 1
1 693 . 15 1 1 A 55 55 LEU H H 55 7.650 7.627 0.023 1
1 694 . 15 1 1 A 55 55 LEU HA H 55 4.016 4.026 -0.010 1
1 704 . 15 1 1 A 55 55 LEU C C 55 171.927 179.425 -7.498 1
1 705 . 15 1 1 A 55 55 LEU CA C 55 59.965 57.774 2.191 1
1 706 . 15 1 1 A 55 55 LEU CB C 55 43.370 40.829 2.541 1
1 710 . 15 1 1 A 55 55 LEU N N 55 121.634 121.891 -0.257 1
1 711 . 15 1 1 A 56 56 MET H H 56 8.429 8.445 -0.016 1
1 712 . 15 1 1 A 56 56 MET HA H 56 4.325 4.165 0.160 1
1 720 . 15 1 1 A 56 56 MET C C 56 172.527 178.690 -6.163 1
1 721 . 15 1 1 A 56 56 MET CA C 56 59.221 59.596 -0.375 1
1 722 . 15 1 1 A 56 56 MET CB C 56 34.106 32.707 1.399 1
1 725 . 15 1 1 A 56 56 MET N N 56 118.696 117.913 0.783 1
1 726 . 15 1 1 A 57 57 LYS H H 57 8.249 8.077 0.172 1
1 727 . 15 1 1 A 57 57 LYS HA H 57 3.996 4.307 -0.311 1
1 736 . 15 1 1 A 57 57 LYS C C 57 172.527 179.414 -6.887 1
1 737 . 15 1 1 A 57 57 LYS CA C 57 60.872 59.167 1.705 1
1 738 . 15 1 1 A 57 57 LYS CB C 57 33.853 32.123 1.730 1
1 742 . 15 1 1 A 57 57 LYS N N 57 119.855 120.379 -0.524 1
1 743 . 15 1 1 A 58 58 SER H H 58 7.729 8.210 -0.481 1
1 744 . 15 1 1 A 58 58 SER HA H 58 4.125 4.344 -0.219 1
1 747 . 15 1 1 A 58 58 SER C C 58 176.527 175.694 0.833 1
1 748 . 15 1 1 A 58 58 SER CA C 58 63.029 60.764 2.265 1
1 749 . 15 1 1 A 58 58 SER CB C 58 64.686 63.007 1.679 1
1 750 . 15 1 1 A 58 58 SER N N 58 115.984 114.729 1.255 1
1 751 . 15 1 1 A 59 59 LEU H H 59 7.288 7.800 -0.512 1
1 752 . 15 1 1 A 59 59 LEU HA H 59 4.058 4.285 -0.227 1
1 762 . 15 1 1 A 59 59 LEU C C 59 175.827 178.494 -2.667 1
1 763 . 15 1 1 A 59 59 LEU CA C 59 57.364 56.880 0.484 1
1 764 . 15 1 1 A 59 59 LEU CB C 59 42.712 42.236 0.476 1
1 768 . 15 1 1 A 59 59 LEU N N 59 120.622 119.434 1.188 1
1 769 . 15 1 1 A 60 60 ASP H H 60 7.431 8.614 -1.183 1
1 770 . 15 1 1 A 60 60 ASP HA H 60 4.386 4.356 0.030 1
1 773 . 15 1 1 A 60 60 ASP C C 60 175.927 178.445 -2.518 1
1 774 . 15 1 1 A 60 60 ASP CA C 60 57.012 57.348 -0.336 1
1 775 . 15 1 1 A 60 60 ASP CB C 60 42.351 40.179 2.172 1
1 776 . 15 1 1 A 60 60 ASP N N 60 116.755 120.041 -3.286 1
1 777 . 15 1 1 A 61 61 LYS H H 61 7.243 8.166 -0.923 1
1 778 . 15 1 1 A 61 61 LYS HA H 61 4.223 3.984 0.239 1
1 787 . 15 1 1 A 61 61 LYS C C 61 176.527 177.780 -1.253 1
1 788 . 15 1 1 A 61 61 LYS CA C 61 57.287 58.989 -1.702 1
1 789 . 15 1 1 A 61 61 LYS CB C 61 34.683 32.239 2.444 1
1 793 . 15 1 1 A 61 61 LYS N N 61 119.913 120.811 -0.898 1
1 794 . 15 1 1 A 62 62 ASN H H 62 8.725 8.083 0.642 1
1 795 . 15 1 1 A 62 62 ASN HA H 62 4.462 5.028 -0.566 1
1 800 . 15 1 1 A 62 62 ASN C C 62 175.627 175.231 0.396 1
1 801 . 15 1 1 A 62 62 ASN CA C 62 55.452 54.403 1.049 1
1 802 . 15 1 1 A 62 62 ASN CB C 62 39.336 41.418 -2.082 1
1 803 . 15 1 1 A 62 62 ASN N N 62 120.247 116.851 3.396 1
1 805 . 15 1 1 A 63 63 SER H H 63 8.061 8.282 -0.221 1
1 806 . 15 1 1 A 63 63 SER HA H 63 3.957 4.378 -0.421 1
1 809 . 15 1 1 A 63 63 SER C C 63 174.827 174.104 0.723 1
1 810 . 15 1 1 A 63 63 SER CA C 63 62.954 60.483 2.471 1
1 811 . 15 1 1 A 63 63 SER CB C 63 65.586 61.598 3.988 1
1 812 . 15 1 1 A 63 63 SER N N 63 113.249 114.375 -1.126 1
1 813 . 15 1 1 A 64 64 ASP H H 64 8.408 8.102 0.306 1
1 814 . 15 1 1 A 64 64 ASP HA H 64 4.573 4.764 -0.191 1
1 817 . 15 1 1 A 64 64 ASP C C 64 176.027 175.222 0.805 1
1 818 . 15 1 1 A 64 64 ASP CA C 64 55.789 53.942 1.847 1
1 819 . 15 1 1 A 64 64 ASP CB C 64 42.365 41.830 0.535 1
1 820 . 15 1 1 A 64 64 ASP N N 64 117.587 119.218 -1.631 1
1 821 . 15 1 1 A 65 65 GLN H H 65 7.779 7.666 0.113 1
1 822 . 15 1 1 A 65 65 GLN HA H 65 4.026 4.769 -0.743 1
1 829 . 15 1 1 A 65 65 GLN C C 65 176.827 175.655 1.172 1
1 830 . 15 1 1 A 65 65 GLN CA C 65 58.241 54.226 4.015 1
1 831 . 15 1 1 A 65 65 GLN CB C 65 31.309 30.738 0.571 1
1 833 . 15 1 1 A 65 65 GLN N N 65 121.059 118.169 2.890 1
1 835 . 15 1 1 A 66 66 GLU H H 66 8.365 8.624 -0.259 1
1 836 . 15 1 1 A 66 66 GLU HA H 66 4.320 4.703 -0.383 1
1 841 . 15 1 1 A 66 66 GLU C C 66 176.227 176.736 -0.509 1
1 842 . 15 1 1 A 66 66 GLU CA C 66 58.238 56.960 1.278 1
1 843 . 15 1 1 A 66 66 GLU CB C 66 32.567 30.316 2.251 1
1 845 . 15 1 1 A 66 66 GLU N N 66 123.061 121.255 1.806 1
1 846 . 15 1 1 A 67 67 ILE H H 67 9.350 9.087 0.263 1
1 847 . 15 1 1 A 67 67 ILE HA H 67 4.543 5.054 -0.511 1
1 857 . 15 1 1 A 67 67 ILE C C 67 178.127 175.250 2.877 1
1 858 . 15 1 1 A 67 67 ILE CA C 67 61.173 58.658 2.515 1
1 859 . 15 1 1 A 67 67 ILE CB C 67 41.460 42.105 -0.645 1
1 863 . 15 1 1 A 67 67 ILE N N 67 121.809 118.851 2.958 1
1 864 . 15 1 1 A 68 68 ASP H H 68 8.140 8.593 -0.453 1
1 865 . 15 1 1 A 68 68 ASP HA H 68 5.408 5.093 0.315 1
1 868 . 15 1 1 A 68 68 ASP C C 68 176.127 177.792 -1.665 1
1 869 . 15 1 1 A 68 68 ASP CA C 68 53.471 52.478 0.993 1
1 870 . 15 1 1 A 68 68 ASP CB C 68 43.898 41.579 2.319 1
1 871 . 15 1 1 A 68 68 ASP N N 68 122.626 122.757 -0.131 1
1 872 . 15 1 1 A 69 69 PHE H H 69 9.486 8.543 0.943 1
1 873 . 15 1 1 A 69 69 PHE HA H 69 3.397 4.145 -0.748 1
1 880 . 15 1 1 A 69 69 PHE C C 69 174.727 178.264 -3.537 1
1 881 . 15 1 1 A 69 69 PHE CA C 69 63.764 61.007 2.757 1
1 882 . 15 1 1 A 69 69 PHE CB C 69 42.009 38.433 3.576 1
1 883 . 15 1 1 A 69 69 PHE N N 69 118.584 118.621 -0.037 1
1 884 . 15 1 1 A 70 70 LYS H H 70 7.510 8.215 -0.705 1
1 885 . 15 1 1 A 70 70 LYS HA H 70 3.633 4.435 -0.802 1
1 894 . 15 1 1 A 70 70 LYS C C 70 173.627 178.866 -5.239 1
1 895 . 15 1 1 A 70 70 LYS CA C 70 61.940 59.189 2.751 1
1 896 . 15 1 1 A 70 70 LYS CB C 70 33.189 32.979 0.210 1
1 900 . 15 1 1 A 70 70 LYS N N 70 117.327 122.289 -4.962 1
1 901 . 15 1 1 A 71 71 GLU H H 71 8.151 7.901 0.250 1
1 902 . 15 1 1 A 71 71 GLU HA H 71 3.930 4.111 -0.181 1
1 907 . 15 1 1 A 71 71 GLU C C 71 173.127 178.890 -5.763 1
1 908 . 15 1 1 A 71 71 GLU CA C 71 61.000 59.713 1.287 1
1 909 . 15 1 1 A 71 71 GLU CB C 71 31.639 29.534 2.105 1
1 911 . 15 1 1 A 71 71 GLU N N 71 120.925 118.748 2.177 1
1 912 . 15 1 1 A 72 72 TYR H H 72 8.454 7.890 0.564 1
1 913 . 15 1 1 A 72 72 TYR HA H 72 4.047 4.376 -0.329 1
1 920 . 15 1 1 A 72 72 TYR C C 72 177.227 177.734 -0.507 1
1 921 . 15 1 1 A 72 72 TYR CA C 72 62.068 61.300 0.768 1
1 922 . 15 1 1 A 72 72 TYR CB C 72 39.522 38.818 0.704 1
1 923 . 15 1 1 A 72 72 TYR N N 72 123.271 122.317 0.954 1
1 924 . 15 1 1 A 73 73 SER H H 73 7.990 8.430 -0.440 1
1 925 . 15 1 1 A 73 73 SER HA H 73 3.245 3.996 -0.751 1
1 928 . 15 1 1 A 73 73 SER C C 73 174.327 176.585 -2.258 1
1 929 . 15 1 1 A 73 73 SER CA C 73 62.841 61.414 1.427 1
1 930 . 15 1 1 A 73 73 SER CB C 73 64.317 62.468 1.849 1
1 931 . 15 1 1 A 73 73 SER N N 73 115.432 114.585 0.847 1
1 932 . 15 1 1 A 74 74 VAL H H 74 8.112 8.128 -0.016 1
1 933 . 15 1 1 A 74 74 VAL HA H 74 3.375 3.833 -0.458 1
1 941 . 15 1 1 A 74 74 VAL C C 74 174.427 178.313 -3.886 1
1 942 . 15 1 1 A 74 74 VAL CA C 74 68.677 65.974 2.703 1
1 943 . 15 1 1 A 74 74 VAL CB C 74 33.164 31.421 1.743 1
1 946 . 15 1 1 A 74 74 VAL N N 74 123.807 119.176 4.631 1
1 947 . 15 1 1 A 75 75 PHE H H 75 8.149 8.532 -0.383 1
1 948 . 15 1 1 A 75 75 PHE HA H 75 3.878 4.208 -0.330 1
1 955 . 15 1 1 A 75 75 PHE C C 75 174.627 177.171 -2.544 1
1 956 . 15 1 1 A 75 75 PHE CA C 75 64.444 61.269 3.175 1
1 957 . 15 1 1 A 75 75 PHE CB C 75 40.823 39.322 1.501 1
1 958 . 15 1 1 A 75 75 PHE N N 75 122.351 123.888 -1.537 1
1 959 . 15 1 1 A 76 76 LEU H H 76 8.141 8.491 -0.350 1
1 960 . 15 1 1 A 76 76 LEU HA H 76 3.648 3.878 -0.230 1
1 970 . 15 1 1 A 76 76 LEU C C 76 173.327 179.079 -5.752 1
1 971 . 15 1 1 A 76 76 LEU CA C 76 59.810 58.208 1.602 1
1 972 . 15 1 1 A 76 76 LEU CB C 76 42.994 41.705 1.289 1
1 976 . 15 1 1 A 76 76 LEU N N 76 116.801 119.777 -2.976 1
1 977 . 15 1 1 A 77 77 THR H H 77 8.005 8.043 -0.038 1
1 978 . 15 1 1 A 77 77 THR HA H 77 3.561 3.812 -0.251 1
1 984 . 15 1 1 A 77 77 THR C C 77 176.427 176.118 0.309 1
1 985 . 15 1 1 A 77 77 THR CA C 77 69.876 66.842 3.034 1
1 986 . 15 1 1 A 77 77 THR CB C 77 71.163 67.796 3.367 1
1 988 . 15 1 1 A 77 77 THR N N 77 116.415 115.320 1.095 1
1 989 . 15 1 1 A 78 78 MET H H 78 8.059 8.408 -0.349 1
1 990 . 15 1 1 A 78 78 MET HA H 78 3.771 4.159 -0.388 1
1 995 . 15 1 1 A 78 78 MET C C 78 172.927 178.648 -5.721 1
1 996 . 15 1 1 A 78 78 MET CA C 78 60.751 57.770 2.981 1
1 997 . 15 1 1 A 78 78 MET CB C 78 33.255 32.125 1.130 1
1 999 . 15 1 1 A 78 78 MET N N 78 120.960 119.771 1.189 1
1 1000 . 15 1 1 A 79 79 LEU H H 79 8.007 8.083 -0.076 1
1 1001 . 15 1 1 A 79 79 LEU HA H 79 3.646 4.037 -0.391 1
1 1011 . 15 1 1 A 79 79 LEU C C 79 174.527 178.066 -3.539 1
1 1012 . 15 1 1 A 79 79 LEU CA C 79 59.756 57.918 1.838 1
1 1013 . 15 1 1 A 79 79 LEU CB C 79 42.961 41.755 1.206 1
1 1017 . 15 1 1 A 79 79 LEU N N 79 120.772 120.686 0.086 1
1 1018 . 15 1 1 A 80 80 CYS H H 80 8.268 8.085 0.183 1
1 1019 . 15 1 1 A 80 80 CYS HA H 80 3.344 2.935 0.409 1
1 1022 . 15 1 1 A 80 80 CYS C C 80 176.127 176.328 -0.201 1
1 1023 . 15 1 1 A 80 80 CYS CA C 80 64.083 62.240 1.843 1
1 1024 . 15 1 1 A 80 80 CYS CB C 80 28.199 26.559 1.640 1
1 1025 . 15 1 1 A 80 80 CYS N N 80 118.257 118.049 0.208 1
1 1026 . 15 1 1 A 81 81 MET H H 81 7.600 8.470 -0.870 1
1 1027 . 15 1 1 A 81 81 MET HA H 81 3.242 4.109 -0.867 1
1 1035 . 15 1 1 A 81 81 MET C C 81 176.227 177.152 -0.925 1
1 1036 . 15 1 1 A 81 81 MET CA C 81 60.091 57.740 2.351 1
1 1037 . 15 1 1 A 81 81 MET CB C 81 34.090 32.223 1.867 1
1 1040 . 15 1 1 A 81 81 MET N N 81 114.515 118.328 -3.813 1
1 1041 . 15 1 1 A 82 82 ALA H H 82 7.299 7.229 0.070 1
1 1042 . 15 1 1 A 82 82 ALA HA H 82 4.121 4.200 -0.079 1
1 1046 . 15 1 1 A 82 82 ALA C C 82 173.827 177.367 -3.540 1
1 1047 . 15 1 1 A 82 82 ALA CA C 82 54.930 52.862 2.068 1
1 1048 . 15 1 1 A 82 82 ALA CB C 82 20.641 17.708 2.933 1
1 1049 . 15 1 1 A 82 82 ALA N N 82 118.977 121.418 -2.441 1
1 1050 . 15 1 1 A 83 83 TYR H H 83 7.623 7.523 0.100 1
1 1051 . 15 1 1 A 83 83 TYR HA H 83 4.771 4.850 -0.079 1
1 1058 . 15 1 1 A 83 83 TYR CA C 83 59.333 57.177 2.156 1
1 1059 . 15 1 1 A 83 83 TYR CB C 83 41.599 40.252 1.347 1
1 1060 . 15 1 1 A 83 83 TYR N N 83 113.311 114.172 -0.861 1
1 1061 . 15 1 1 A 84 84 ASN HA H 84 4.534 5.077 -0.543 1
1 1064 . 15 1 1 A 84 84 ASN CA C 84 56.126 53.687 2.439 1
1 1065 . 15 1 1 A 84 84 ASN CB C 84 41.990 39.047 2.943 1
1 1066 . 15 1 1 A 85 85 ASP H H 85 8.681 8.675 0.006 1
1 1067 . 15 1 1 A 85 85 ASP HA H 85 4.086 4.391 -0.305 1
1 1070 . 15 1 1 A 85 85 ASP CA C 85 58.457 56.408 2.049 1
1 1071 . 15 1 1 A 85 85 ASP CB C 85 42.260 39.637 2.623 1
1 1072 . 15 1 1 A 85 85 ASP N N 85 126.079 120.105 5.974 1
1 1073 . 15 1 1 A 86 86 PHE H H 86 8.672 7.988 0.684 1
1 1074 . 15 1 1 A 86 86 PHE HA H 86 3.744 4.101 -0.357 1
1 1081 . 15 1 1 A 86 86 PHE C C 86 176.827 176.261 0.566 1
1 1082 . 15 1 1 A 86 86 PHE CA C 86 62.903 60.790 2.113 1
1 1083 . 15 1 1 A 86 86 PHE CB C 86 41.596 39.150 2.446 1
1 1084 . 15 1 1 A 86 86 PHE N N 86 121.950 121.831 0.119 1
1 1085 . 15 1 1 A 87 87 PHE H H 87 7.225 7.525 -0.300 1
1 1086 . 15 1 1 A 87 87 PHE HA H 87 3.836 4.459 -0.623 1
1 1093 . 15 1 1 A 87 87 PHE C C 87 176.927 175.120 1.807 1
1 1094 . 15 1 1 A 87 87 PHE CA C 87 60.422 57.909 2.513 1
1 1095 . 15 1 1 A 87 87 PHE CB C 87 41.081 39.106 1.975 1
1 1096 . 15 1 1 A 87 87 PHE N N 87 110.928 114.235 -3.307 1
1 1097 . 15 1 1 A 88 88 LEU H H 88 7.130 7.593 -0.463 1
1 1098 . 15 1 1 A 88 88 LEU HA H 88 4.169 4.635 -0.466 1
1 1108 . 15 1 1 A 88 88 LEU C C 88 175.027 175.716 -0.689 1
1 1109 . 15 1 1 A 88 88 LEU CA C 88 56.962 53.497 3.465 1
1 1110 . 15 1 1 A 88 88 LEU CB C 88 44.199 43.999 0.200 1
1 1114 . 15 1 1 A 88 88 LEU N N 88 119.732 121.518 -1.786 1
1 1115 . 15 1 1 A 89 89 GLU H H 89 8.097 8.838 -0.741 1
1 1116 . 15 1 1 A 89 89 GLU HA H 89 4.087 4.571 -0.484 1
1 1121 . 15 1 1 A 89 89 GLU C C 89 176.427 175.835 0.592 1
1 1122 . 15 1 1 A 89 89 GLU CA C 89 58.216 57.291 0.925 1
1 1123 . 15 1 1 A 89 89 GLU CB C 89 32.309 32.493 -0.184 1
1 1125 . 15 1 1 A 89 89 GLU N N 89 121.626 119.267 2.359 1
1 1126 . 15 1 1 A 90 90 ASP H H 90 8.243 7.993 0.250 1
1 1127 . 15 1 1 A 90 90 ASP HA H 90 4.425 4.953 -0.528 1
1 1130 . 15 1 1 A 90 90 ASP C C 90 176.527 174.386 2.141 1
1 1131 . 15 1 1 A 90 90 ASP CA C 90 55.815 53.632 2.183 1
1 1132 . 15 1 1 A 90 90 ASP CB C 90 42.874 44.063 -1.189 1
1 1133 . 15 1 1 A 90 90 ASP N N 90 121.280 116.402 4.878 1
1 1134 . 15 1 1 A 91 91 ASN H H 91 8.267 8.875 -0.608 1
1 1135 . 15 1 1 A 91 91 ASN HA H 91 4.563 4.898 -0.335 1
1 1140 . 15 1 1 A 91 91 ASN C C 91 178.127 175.360 2.767 1
1 1141 . 15 1 1 A 91 91 ASN CA C 91 54.928 54.395 0.533 1
1 1142 . 15 1 1 A 91 91 ASN CB C 91 40.529 41.031 -0.502 1
1 1143 . 15 1 1 A 91 91 ASN N N 91 119.209 120.967 -1.758 1
1 14 . 16 1 1 A 2 2 GLU H H 2 8.722 8.979 -0.257 1
1 15 . 16 1 1 A 2 2 GLU HA H 2 4.557 4.607 -0.050 1
1 20 . 16 1 1 A 2 2 GLU C C 2 175.827 176.627 -0.800 1
1 21 . 16 1 1 A 2 2 GLU CA C 2 58.063 57.880 0.183 1
1 22 . 16 1 1 A 2 2 GLU CB C 2 33.147 31.447 1.700 1
1 24 . 16 1 1 A 2 2 GLU N N 2 124.627 123.393 1.234 1
1 25 . 16 1 1 A 3 3 THR H H 3 8.670 7.897 0.773 1
1 26 . 16 1 1 A 3 3 THR HA H 3 4.616 4.820 -0.204 1
1 31 . 16 1 1 A 3 3 THR CA C 3 61.734 58.889 2.845 1
1 32 . 16 1 1 A 3 3 THR CB C 3 70.590 70.994 -0.404 1
1 34 . 16 1 1 A 3 3 THR N N 3 116.274 111.165 5.109 1
1 35 . 16 1 1 A 4 4 PRO HA H 4 4.161 4.409 -0.248 1
1 42 . 16 1 1 A 4 4 PRO C C 4 172.227 177.633 -5.406 1
1 43 . 16 1 1 A 4 4 PRO CA C 4 68.211 64.710 3.501 1
1 44 . 16 1 1 A 4 4 PRO CB C 4 33.796 32.140 1.656 1
1 47 . 16 1 1 A 5 5 LEU H H 5 9.207 7.741 1.466 1
1 48 . 16 1 1 A 5 5 LEU HA H 5 4.038 4.052 -0.014 1
1 58 . 16 1 1 A 5 5 LEU C C 5 174.327 178.299 -3.972 1
1 59 . 16 1 1 A 5 5 LEU CA C 5 59.483 57.444 2.039 1
1 60 . 16 1 1 A 5 5 LEU CB C 5 43.877 41.698 2.179 1
1 64 . 16 1 1 A 5 5 LEU N N 5 119.157 119.437 -0.280 1
1 65 . 16 1 1 A 6 6 GLU H H 6 7.661 8.363 -0.702 1
1 66 . 16 1 1 A 6 6 GLU HA H 6 3.755 4.025 -0.270 1
1 71 . 16 1 1 A 6 6 GLU C C 6 172.727 178.899 -6.172 1
1 72 . 16 1 1 A 6 6 GLU CA C 6 61.953 59.294 2.659 1
1 73 . 16 1 1 A 6 6 GLU CB C 6 31.354 29.462 1.892 1
1 75 . 16 1 1 A 6 6 GLU N N 6 119.837 119.301 0.536 1
1 76 . 16 1 1 A 7 7 LYS H H 7 8.430 8.090 0.340 1
1 77 . 16 1 1 A 7 7 LYS HA H 7 3.921 4.198 -0.277 1
1 86 . 16 1 1 A 7 7 LYS C C 7 172.927 179.074 -6.147 1
1 87 . 16 1 1 A 7 7 LYS CA C 7 61.312 58.174 3.138 1
1 88 . 16 1 1 A 7 7 LYS CB C 7 33.861 32.225 1.636 1
1 92 . 16 1 1 A 7 7 LYS N N 7 119.023 118.718 0.305 1
1 93 . 16 1 1 A 8 8 ALA H H 8 8.079 8.005 0.074 1
1 94 . 16 1 1 A 8 8 ALA HA H 8 4.085 4.013 0.072 1
1 98 . 16 1 1 A 8 8 ALA C C 8 173.027 180.101 -7.074 1
1 99 . 16 1 1 A 8 8 ALA CA C 8 56.967 54.988 1.979 1
1 100 . 16 1 1 A 8 8 ALA CB C 8 20.140 18.314 1.826 1
1 101 . 16 1 1 A 8 8 ALA N N 8 123.824 122.235 1.589 1
1 102 . 16 1 1 A 9 9 LEU H H 9 8.032 7.790 0.242 1
1 103 . 16 1 1 A 9 9 LEU HA H 9 4.061 4.020 0.041 1
1 113 . 16 1 1 A 9 9 LEU C C 9 172.527 178.993 -6.466 1
1 114 . 16 1 1 A 9 9 LEU CA C 9 60.071 57.946 2.125 1
1 115 . 16 1 1 A 9 9 LEU CB C 9 42.714 42.421 0.293 1
1 119 . 16 1 1 A 9 9 LEU N N 9 118.643 118.370 0.273 1
1 120 . 16 1 1 A 10 10 THR H H 10 8.686 8.316 0.370 1
1 121 . 16 1 1 A 10 10 THR HA H 10 3.798 3.950 -0.152 1
1 126 . 16 1 1 A 10 10 THR C C 10 175.127 176.795 -1.668 1
1 127 . 16 1 1 A 10 10 THR CA C 10 69.282 66.380 2.902 1
1 128 . 16 1 1 A 10 10 THR CB C 10 70.132 68.412 1.720 1
1 130 . 16 1 1 A 10 10 THR N N 10 117.087 113.533 3.554 1
1 131 . 16 1 1 A 11 11 THR H H 11 8.628 8.002 0.626 1
1 132 . 16 1 1 A 11 11 THR HA H 11 3.961 4.025 -0.064 1
1 137 . 16 1 1 A 11 11 THR C C 11 174.427 175.658 -1.231 1
1 138 . 16 1 1 A 11 11 THR CA C 11 68.408 66.197 2.211 1
1 139 . 16 1 1 A 11 11 THR CB C 11 69.107 68.592 0.515 1
1 141 . 16 1 1 A 11 11 THR N N 11 120.770 115.586 5.184 1
1 142 . 16 1 1 A 12 12 MET H H 12 8.390 8.580 -0.190 1
1 143 . 16 1 1 A 12 12 MET HA H 12 3.956 4.531 -0.575 1
1 151 . 16 1 1 A 12 12 MET C C 12 175.127 178.316 -3.189 1
1 152 . 16 1 1 A 12 12 MET CA C 12 62.750 58.347 4.403 1
1 153 . 16 1 1 A 12 12 MET CB C 12 34.952 32.055 2.897 1
1 156 . 16 1 1 A 12 12 MET N N 12 124.388 120.156 4.232 1
1 157 . 16 1 1 A 13 13 VAL H H 13 8.104 8.820 -0.716 1
1 158 . 16 1 1 A 13 13 VAL HA H 13 3.576 4.006 -0.430 1
1 166 . 16 1 1 A 13 13 VAL C C 13 175.327 178.009 -2.682 1
1 167 . 16 1 1 A 13 13 VAL CA C 13 68.958 65.627 3.331 1
1 168 . 16 1 1 A 13 13 VAL CB C 13 33.703 31.663 2.040 1
1 171 . 16 1 1 A 13 13 VAL N N 13 121.753 115.649 6.104 1
1 172 . 16 1 1 A 14 14 THR H H 14 9.186 8.236 0.950 1
1 173 . 16 1 1 A 14 14 THR HA H 14 3.774 4.047 -0.273 1
1 178 . 16 1 1 A 14 14 THR C C 14 173.927 176.931 -3.004 1
1 179 . 16 1 1 A 14 14 THR CA C 14 67.955 66.208 1.747 1
1 180 . 16 1 1 A 14 14 THR CB C 14 70.504 68.972 1.532 1
1 182 . 16 1 1 A 14 14 THR N N 14 114.911 116.746 -1.835 1
1 183 . 16 1 1 A 15 15 THR H H 15 8.453 8.426 0.027 1
1 184 . 16 1 1 A 15 15 THR HA H 15 3.859 4.260 -0.401 1
1 190 . 16 1 1 A 15 15 THR C C 15 178.127 176.959 1.168 1
1 191 . 16 1 1 A 15 15 THR CA C 15 69.609 66.001 3.608 1
1 192 . 16 1 1 A 15 15 THR CB C 15 70.511 68.207 2.304 1
1 194 . 16 1 1 A 15 15 THR N N 15 118.791 112.476 6.315 1
1 195 . 16 1 1 A 16 16 PHE H H 16 7.207 8.264 -1.057 1
1 196 . 16 1 1 A 16 16 PHE HA H 16 3.572 4.251 -0.679 1
1 203 . 16 1 1 A 16 16 PHE C C 16 178.527 177.822 0.705 1
1 204 . 16 1 1 A 16 16 PHE CA C 16 64.090 61.551 2.539 1
1 205 . 16 1 1 A 16 16 PHE CB C 16 41.091 39.510 1.581 1
1 206 . 16 1 1 A 16 16 PHE N N 16 121.331 124.139 -2.808 1
1 207 . 16 1 1 A 17 17 HIS H H 17 8.393 8.512 -0.119 1
1 208 . 16 1 1 A 17 17 HIS HA H 17 5.329 4.480 0.849 1
1 211 . 16 1 1 A 17 17 HIS C C 17 174.627 177.486 -2.859 1
1 212 . 16 1 1 A 17 17 HIS CA C 17 56.667 59.281 -2.614 1
1 213 . 16 1 1 A 17 17 HIS CB C 17 32.397 30.148 2.249 1
1 214 . 16 1 1 A 17 17 HIS N N 17 117.858 118.951 -1.093 1
1 215 . 16 1 1 A 18 18 LYS H H 18 7.767 8.145 -0.378 1
1 216 . 16 1 1 A 18 18 LYS HA H 18 3.553 3.918 -0.365 1
1 225 . 16 1 1 A 18 18 LYS C C 18 175.527 176.838 -1.311 1
1 226 . 16 1 1 A 18 18 LYS CA C 18 61.301 59.049 2.252 1
1 227 . 16 1 1 A 18 18 LYS CB C 18 33.523 32.066 1.457 1
1 231 . 16 1 1 A 18 18 LYS N N 18 120.691 118.865 1.826 1
1 232 . 16 1 1 A 19 19 TYR H H 19 7.079 8.019 -0.940 1
1 233 . 16 1 1 A 19 19 TYR HA H 19 3.993 4.619 -0.626 1
1 240 . 16 1 1 A 19 19 TYR C C 19 174.227 177.437 -3.210 1
1 241 . 16 1 1 A 19 19 TYR CA C 19 61.287 58.816 2.471 1
1 242 . 16 1 1 A 19 19 TYR CB C 19 42.066 39.986 2.080 1
1 243 . 16 1 1 A 19 19 TYR N N 19 114.592 116.513 -1.921 1
1 244 . 16 1 1 A 20 20 SER H H 20 9.708 8.375 1.333 1
1 245 . 16 1 1 A 20 20 SER HA H 20 4.117 4.204 -0.087 1
1 248 . 16 1 1 A 20 20 SER C C 20 175.227 176.204 -0.977 1
1 249 . 16 1 1 A 20 20 SER CA C 20 60.135 61.254 -1.119 1
1 250 . 16 1 1 A 20 20 SER CB C 20 63.159 62.266 0.893 1
1 251 . 16 1 1 A 20 20 SER N N 20 121.764 115.084 6.680 1
1 252 . 16 1 1 A 21 21 GLY H H 21 8.146 8.421 -0.275 1
1 253 . 16 1 1 A 21 21 GLY HA2 H 21 3.956 3.981 -0.025 1
1 254 . 16 1 1 A 21 21 GLY HA3 H 21 3.571 4.336 -0.765 1
1 255 . 16 1 1 A 21 21 GLY C C 21 177.927 173.998 3.929 1
1 256 . 16 1 1 A 21 21 GLY CA C 21 46.646 45.687 0.959 1
1 257 . 16 1 1 A 21 21 GLY N N 21 106.982 109.750 -2.768 1
1 258 . 16 1 1 A 22 22 ARG H H 22 7.007 7.730 -0.723 1
1 259 . 16 1 1 A 22 22 ARG HA H 22 3.815 4.479 -0.664 1
1 266 . 16 1 1 A 22 22 ARG C C 22 175.927 176.105 -0.178 1
1 267 . 16 1 1 A 22 22 ARG CA C 22 60.766 56.574 4.192 1
1 268 . 16 1 1 A 22 22 ARG CB C 22 32.302 32.952 -0.650 1
1 271 . 16 1 1 A 22 22 ARG N N 22 118.055 117.594 0.461 1
1 272 . 16 1 1 A 23 23 GLU H H 23 7.551 7.680 -0.129 1
1 273 . 16 1 1 A 23 23 GLU HA H 23 4.436 4.623 -0.187 1
1 278 . 16 1 1 A 23 23 GLU C C 23 177.727 176.029 1.698 1
1 279 . 16 1 1 A 23 23 GLU CA C 23 56.853 55.883 0.970 1
1 280 . 16 1 1 A 23 23 GLU CB C 23 33.988 33.100 0.888 1
1 282 . 16 1 1 A 23 23 GLU N N 23 114.631 115.898 -1.267 1
1 283 . 16 1 1 A 24 24 GLY H H 24 8.376 8.517 -0.141 1
1 284 . 16 1 1 A 24 24 GLY HA2 H 24 3.771 3.971 -0.200 1
1 285 . 16 1 1 A 24 24 GLY HA3 H 24 3.567 4.372 -0.805 1
1 286 . 16 1 1 A 24 24 GLY C C 24 177.127 172.612 4.515 1
1 287 . 16 1 1 A 24 24 GLY CA C 24 47.718 46.200 1.518 1
1 288 . 16 1 1 A 24 24 GLY N N 24 107.626 109.720 -2.094 1
1 289 . 16 1 1 A 25 25 SER H H 25 8.443 7.855 0.588 1
1 290 . 16 1 1 A 25 25 SER HA H 25 4.314 5.086 -0.772 1
1 293 . 16 1 1 A 25 25 SER C C 25 175.527 174.075 1.452 1
1 294 . 16 1 1 A 25 25 SER CA C 25 59.146 56.926 2.220 1
1 295 . 16 1 1 A 25 25 SER CB C 25 65.573 64.926 0.647 1
1 296 . 16 1 1 A 25 25 SER N N 25 119.000 117.682 1.318 1
1 297 . 16 1 1 A 26 26 LYS H H 26 8.821 9.086 -0.265 1
1 298 . 16 1 1 A 26 26 LYS HA H 26 4.307 4.093 0.214 1
1 307 . 16 1 1 A 26 26 LYS C C 26 176.027 177.996 -1.969 1
1 308 . 16 1 1 A 26 26 LYS CA C 26 59.180 59.335 -0.155 1
1 309 . 16 1 1 A 26 26 LYS CB C 26 33.211 32.141 1.070 1
1 313 . 16 1 1 A 26 26 LYS N N 26 126.125 125.536 0.589 1
1 314 . 16 1 1 A 27 27 LEU H H 27 8.237 7.814 0.423 1
1 315 . 16 1 1 A 27 27 LEU HA H 27 4.534 4.485 0.049 1
1 325 . 16 1 1 A 27 27 LEU C C 27 175.627 176.419 -0.792 1
1 326 . 16 1 1 A 27 27 LEU CA C 27 56.384 56.023 0.361 1
1 327 . 16 1 1 A 27 27 LEU CB C 27 44.218 42.492 1.726 1
1 331 . 16 1 1 A 27 27 LEU N N 27 117.484 113.306 4.178 1
1 332 . 16 1 1 A 28 28 THR H H 28 7.386 7.846 -0.460 1
1 333 . 16 1 1 A 28 28 THR HA H 28 5.517 5.570 -0.053 1
1 338 . 16 1 1 A 28 28 THR C C 28 180.227 172.428 7.799 1
1 339 . 16 1 1 A 28 28 THR CA C 28 61.014 60.527 0.487 1
1 340 . 16 1 1 A 28 28 THR CB C 28 75.348 71.716 3.632 1
1 342 . 16 1 1 A 28 28 THR N N 28 106.230 109.573 -3.343 1
1 343 . 16 1 1 A 29 29 LEU H H 29 8.721 8.626 0.095 1
1 344 . 16 1 1 A 29 29 LEU HA H 29 4.713 4.984 -0.271 1
1 354 . 16 1 1 A 29 29 LEU C C 29 176.927 175.482 1.445 1
1 355 . 16 1 1 A 29 29 LEU CA C 29 55.163 53.633 1.530 1
1 356 . 16 1 1 A 29 29 LEU CB C 29 46.059 45.315 0.744 1
1 360 . 16 1 1 A 29 29 LEU N N 29 116.728 121.034 -4.306 1
1 361 . 16 1 1 A 30 30 SER H H 30 8.866 8.726 0.140 1
1 362 . 16 1 1 A 30 30 SER HA H 30 4.942 4.823 0.119 1
1 365 . 16 1 1 A 30 30 SER C C 30 176.327 175.746 0.581 1
1 366 . 16 1 1 A 30 30 SER CA C 30 59.032 57.830 1.202 1
1 367 . 16 1 1 A 30 30 SER CB C 30 67.150 64.362 2.788 1
1 368 . 16 1 1 A 30 30 SER N N 30 117.110 115.692 1.418 1
1 369 . 16 1 1 A 31 31 ARG H H 31 8.393 8.560 -0.167 1
1 370 . 16 1 1 A 31 31 ARG HA H 31 3.695 3.866 -0.171 1
1 377 . 16 1 1 A 31 31 ARG C C 31 174.127 178.438 -4.311 1
1 378 . 16 1 1 A 31 31 ARG CA C 31 62.776 59.888 2.888 1
1 379 . 16 1 1 A 31 31 ARG CB C 31 31.601 29.809 1.792 1
1 382 . 16 1 1 A 31 31 ARG N N 31 121.109 122.633 -1.524 1
1 383 . 16 1 1 A 32 32 LYS H H 32 8.264 7.985 0.279 1
1 384 . 16 1 1 A 32 32 LYS HA H 32 3.912 3.969 -0.057 1
1 393 . 16 1 1 A 32 32 LYS C C 32 172.827 178.939 -6.112 1
1 394 . 16 1 1 A 32 32 LYS CA C 32 61.591 59.032 2.559 1
1 395 . 16 1 1 A 32 32 LYS CB C 32 34.116 32.115 2.001 1
1 399 . 16 1 1 A 32 32 LYS N N 32 118.536 119.484 -0.948 1
1 400 . 16 1 1 A 33 33 GLU H H 33 7.790 8.069 -0.279 1
1 401 . 16 1 1 A 33 33 GLU HA H 33 4.049 3.999 0.050 1
1 406 . 16 1 1 A 33 33 GLU C C 33 174.327 179.035 -4.708 1
1 407 . 16 1 1 A 33 33 GLU CA C 33 60.634 59.178 1.456 1
1 408 . 16 1 1 A 33 33 GLU CB C 33 31.617 29.252 2.365 1
1 410 . 16 1 1 A 33 33 GLU N N 33 121.557 118.863 2.694 1
1 411 . 16 1 1 A 34 34 LEU H H 34 8.388 7.850 0.538 1
1 412 . 16 1 1 A 34 34 LEU HA H 34 3.844 3.749 0.095 1
1 422 . 16 1 1 A 34 34 LEU C C 34 174.927 178.134 -3.207 1
1 423 . 16 1 1 A 34 34 LEU CA C 34 59.173 57.518 1.655 1
1 424 . 16 1 1 A 34 34 LEU CB C 34 42.053 41.343 0.710 1
1 428 . 16 1 1 A 34 34 LEU N N 34 120.999 122.347 -1.348 1
1 429 . 16 1 1 A 35 35 LYS H H 35 7.817 7.621 0.196 1
1 430 . 16 1 1 A 35 35 LYS HA H 35 3.478 3.813 -0.335 1
1 439 . 16 1 1 A 35 35 LYS C C 35 174.627 178.253 -3.626 1
1 440 . 16 1 1 A 35 35 LYS CA C 35 62.312 59.539 2.773 1
1 441 . 16 1 1 A 35 35 LYS CB C 35 33.814 32.095 1.719 1
1 445 . 16 1 1 A 35 35 LYS N N 35 118.738 118.926 -0.188 1
1 446 . 16 1 1 A 36 36 GLU H H 36 7.208 7.703 -0.495 1
1 447 . 16 1 1 A 36 36 GLU HA H 36 3.801 4.173 -0.372 1
1 452 . 16 1 1 A 36 36 GLU C C 36 175.227 178.334 -3.107 1
1 453 . 16 1 1 A 36 36 GLU CA C 36 61.015 58.504 2.511 1
1 454 . 16 1 1 A 36 36 GLU CB C 36 30.770 29.252 1.518 1
1 456 . 16 1 1 A 36 36 GLU N N 36 118.771 118.788 -0.017 1
1 457 . 16 1 1 A 37 37 LEU H H 37 8.038 7.596 0.442 1
1 458 . 16 1 1 A 37 37 LEU HA H 37 3.178 3.547 -0.369 1
1 468 . 16 1 1 A 37 37 LEU C C 37 172.927 178.182 -5.255 1
1 469 . 16 1 1 A 37 37 LEU CA C 37 60.915 58.022 2.893 1
1 470 . 16 1 1 A 37 37 LEU CB C 37 43.352 41.204 2.148 1
1 474 . 16 1 1 A 37 37 LEU N N 37 121.767 120.467 1.300 1
1 475 . 16 1 1 A 38 38 ILE H H 38 8.224 7.922 0.302 1
1 476 . 16 1 1 A 38 38 ILE HA H 38 3.234 3.840 -0.606 1
1 486 . 16 1 1 A 38 38 ILE C C 38 174.727 177.173 -2.446 1
1 487 . 16 1 1 A 38 38 ILE CA C 38 66.464 63.960 2.504 1
1 488 . 16 1 1 A 38 38 ILE CB C 38 38.799 37.479 1.320 1
1 492 . 16 1 1 A 38 38 ILE N N 38 119.417 119.621 -0.204 1
1 493 . 16 1 1 A 39 39 LYS H H 39 7.700 7.548 0.152 1
1 494 . 16 1 1 A 39 39 LYS HA H 39 3.894 4.420 -0.526 1
1 503 . 16 1 1 A 39 39 LYS C C 39 173.727 177.299 -3.572 1
1 504 . 16 1 1 A 39 39 LYS CA C 39 61.015 56.620 4.395 1
1 505 . 16 1 1 A 39 39 LYS CB C 39 34.100 32.560 1.540 1
1 509 . 16 1 1 A 39 39 LYS N N 39 117.277 120.659 -3.382 1
1 510 . 16 1 1 A 40 40 LYS H H 40 8.170 7.819 0.351 1
1 511 . 16 1 1 A 40 40 LYS HA H 40 4.226 4.370 -0.144 1
1 520 . 16 1 1 A 40 40 LYS C C 40 173.427 178.103 -4.676 1
1 521 . 16 1 1 A 40 40 LYS CA C 40 59.251 57.489 1.762 1
1 522 . 16 1 1 A 40 40 LYS CB C 40 35.528 33.392 2.136 1
1 526 . 16 1 1 A 40 40 LYS N N 40 115.146 118.109 -2.963 1
1 527 . 16 1 1 A 41 41 GLU H H 41 8.778 8.070 0.708 1
1 528 . 16 1 1 A 41 41 GLU HA H 41 4.629 4.484 0.145 1
1 533 . 16 1 1 A 41 41 GLU C C 41 175.527 175.448 0.079 1
1 534 . 16 1 1 A 41 41 GLU CA C 41 57.177 56.843 0.334 1
1 535 . 16 1 1 A 41 41 GLU CB C 41 31.656 30.551 1.105 1
1 537 . 16 1 1 A 41 41 GLU N N 41 113.604 114.893 -1.289 1
1 538 . 16 1 1 A 42 42 LEU H H 42 7.610 7.623 -0.013 1
1 539 . 16 1 1 A 42 42 LEU HA H 42 4.475 4.854 -0.379 1
1 549 . 16 1 1 A 42 42 LEU C C 42 177.227 176.803 0.424 1
1 550 . 16 1 1 A 42 42 LEU CA C 42 56.047 53.088 2.959 1
1 551 . 16 1 1 A 42 42 LEU CB C 42 45.748 43.781 1.967 1
1 555 . 16 1 1 A 42 42 LEU N N 42 118.997 121.111 -2.114 1
1 556 . 16 1 1 A 43 43 CYS H H 43 8.501 9.258 -0.757 1
1 557 . 16 1 1 A 43 43 CYS HA H 43 4.397 4.313 0.084 1
1 560 . 16 1 1 A 43 43 CYS C C 43 177.327 175.368 1.959 1
1 561 . 16 1 1 A 43 43 CYS CA C 43 60.023 60.038 -0.015 1
1 562 . 16 1 1 A 43 43 CYS CB C 43 27.915 26.468 1.447 1
1 563 . 16 1 1 A 43 43 CYS N N 43 119.622 125.122 -5.500 1
1 564 . 16 1 1 A 44 44 LEU H H 44 8.200 7.950 0.250 1
1 565 . 16 1 1 A 44 44 LEU HA H 44 3.979 4.015 -0.036 1
1 575 . 16 1 1 A 44 44 LEU C C 44 173.927 178.206 -4.279 1
1 576 . 16 1 1 A 44 44 LEU CA C 44 57.244 57.308 -0.064 1
1 577 . 16 1 1 A 44 44 LEU CB C 44 43.622 42.284 1.338 1
1 581 . 16 1 1 A 44 44 LEU N N 44 121.955 122.122 -0.167 1
1 582 . 16 1 1 A 45 45 GLY H H 45 8.244 8.156 0.088 1
1 583 . 16 1 1 A 45 45 GLY HA2 H 45 3.849 3.925 -0.076 1
1 584 . 16 1 1 A 45 45 GLY HA3 H 45 3.789 4.346 -0.557 1
1 585 . 16 1 1 A 45 45 GLY C C 45 178.027 174.890 3.137 1
1 586 . 16 1 1 A 45 45 GLY CA C 45 47.023 46.515 0.508 1
1 587 . 16 1 1 A 45 45 GLY N N 45 107.702 105.985 1.717 1
1 588 . 16 1 1 A 46 46 GLU H H 46 8.286 7.708 0.578 1
1 589 . 16 1 1 A 46 46 GLU HA H 46 4.039 4.529 -0.490 1
1 594 . 16 1 1 A 46 46 GLU C C 46 175.127 177.429 -2.302 1
1 595 . 16 1 1 A 46 46 GLU CA C 46 59.176 56.736 2.440 1
1 596 . 16 1 1 A 46 46 GLU CB C 46 31.361 31.592 -0.231 1
1 598 . 16 1 1 A 46 46 GLU N N 46 119.602 118.678 0.924 1
1 599 . 16 1 1 A 47 47 MET H H 47 8.048 8.482 -0.434 1
1 600 . 16 1 1 A 47 47 MET HA H 47 4.229 4.166 0.063 1
1 608 . 16 1 1 A 47 47 MET C C 47 175.727 175.986 -0.259 1
1 609 . 16 1 1 A 47 47 MET CA C 47 58.183 58.130 0.053 1
1 610 . 16 1 1 A 47 47 MET CB C 47 34.087 32.417 1.670 1
1 613 . 16 1 1 A 47 47 MET N N 47 119.617 118.867 0.750 1
1 614 . 16 1 1 A 48 48 LYS H H 48 8.221 7.569 0.652 1
1 615 . 16 1 1 A 48 48 LYS HA H 48 4.217 4.757 -0.540 1
1 624 . 16 1 1 A 48 48 LYS C C 48 174.927 175.646 -0.719 1
1 625 . 16 1 1 A 48 48 LYS CA C 48 58.304 54.761 3.543 1
1 626 . 16 1 1 A 48 48 LYS CB C 48 34.548 36.469 -1.921 1
1 630 . 16 1 1 A 48 48 LYS N N 48 120.987 117.141 3.846 1
1 631 . 16 1 1 A 49 49 GLU H H 49 8.346 8.610 -0.264 1
1 632 . 16 1 1 A 49 49 GLU HA H 49 3.922 4.820 -0.898 1
1 637 . 16 1 1 A 49 49 GLU C C 49 174.427 176.296 -1.869 1
1 638 . 16 1 1 A 49 49 GLU CA C 49 60.298 54.812 5.486 1
1 639 . 16 1 1 A 49 49 GLU CB C 49 31.065 31.000 0.065 1
1 641 . 16 1 1 A 49 49 GLU N N 49 121.867 120.928 0.939 1
1 642 . 16 1 1 A 50 50 SER H H 50 8.348 8.759 -0.411 1
1 643 . 16 1 1 A 50 50 SER HA H 50 4.172 4.117 0.055 1
1 647 . 16 1 1 A 50 50 SER C C 50 176.027 175.278 0.749 1
1 648 . 16 1 1 A 50 50 SER CA C 50 62.548 60.650 1.898 1
1 649 . 16 1 1 A 50 50 SER CB C 50 64.840 62.181 2.659 1
1 650 . 16 1 1 A 50 50 SER N N 50 115.695 115.457 0.238 1
1 651 . 16 1 1 A 51 51 SER H H 51 7.980 8.664 -0.684 1
1 652 . 16 1 1 A 51 51 SER HA H 51 4.258 4.270 -0.012 1
1 655 . 16 1 1 A 51 51 SER C C 51 174.427 175.151 -0.724 1
1 656 . 16 1 1 A 51 51 SER CA C 51 62.828 60.901 1.927 1
1 657 . 16 1 1 A 51 51 SER CB C 51 64.749 62.954 1.795 1
1 658 . 16 1 1 A 51 51 SER N N 51 117.126 119.003 -1.877 1
1 659 . 16 1 1 A 52 52 ILE H H 52 7.365 7.705 -0.340 1
1 660 . 16 1 1 A 52 52 ILE HA H 52 4.038 3.873 0.165 1
1 670 . 16 1 1 A 52 52 ILE C C 52 175.627 177.951 -2.324 1
1 671 . 16 1 1 A 52 52 ILE CA C 52 64.609 64.066 0.543 1
1 672 . 16 1 1 A 52 52 ILE CB C 52 39.272 37.508 1.764 1
1 676 . 16 1 1 A 52 52 ILE N N 52 117.484 117.472 0.012 1
1 677 . 16 1 1 A 53 53 ASP H H 53 7.681 8.272 -0.591 1
1 678 . 16 1 1 A 53 53 ASP HA H 53 4.214 4.344 -0.130 1
1 681 . 16 1 1 A 53 53 ASP C C 53 174.027 178.214 -4.187 1
1 682 . 16 1 1 A 53 53 ASP CA C 53 59.799 57.203 2.596 1
1 683 . 16 1 1 A 53 53 ASP CB C 53 42.927 40.822 2.105 1
1 684 . 16 1 1 A 53 53 ASP N N 53 121.969 121.223 0.746 1
1 685 . 16 1 1 A 54 54 ASP H H 54 8.227 7.527 0.700 1
1 686 . 16 1 1 A 54 54 ASP HA H 54 4.231 4.426 -0.195 1
1 689 . 16 1 1 A 54 54 ASP C C 54 172.927 178.669 -5.742 1
1 690 . 16 1 1 A 54 54 ASP CA C 54 59.507 56.351 3.156 1
1 691 . 16 1 1 A 54 54 ASP CB C 54 41.818 41.291 0.527 1
1 692 . 16 1 1 A 54 54 ASP N N 54 118.083 119.811 -1.728 1
1 693 . 16 1 1 A 55 55 LEU H H 55 7.650 7.934 -0.284 1
1 694 . 16 1 1 A 55 55 LEU HA H 55 4.016 4.106 -0.090 1
1 704 . 16 1 1 A 55 55 LEU C C 55 171.927 179.490 -7.563 1
1 705 . 16 1 1 A 55 55 LEU CA C 55 59.965 58.060 1.905 1
1 706 . 16 1 1 A 55 55 LEU CB C 55 43.370 41.660 1.710 1
1 710 . 16 1 1 A 55 55 LEU N N 55 121.634 119.875 1.759 1
1 711 . 16 1 1 A 56 56 MET H H 56 8.429 8.188 0.241 1
1 712 . 16 1 1 A 56 56 MET HA H 56 4.325 4.320 0.005 1
1 720 . 16 1 1 A 56 56 MET C C 56 172.527 179.177 -6.650 1
1 721 . 16 1 1 A 56 56 MET CA C 56 59.221 58.790 0.431 1
1 722 . 16 1 1 A 56 56 MET CB C 56 34.106 32.061 2.045 1
1 725 . 16 1 1 A 56 56 MET N N 56 118.696 116.725 1.971 1
1 726 . 16 1 1 A 57 57 LYS H H 57 8.249 8.301 -0.052 1
1 727 . 16 1 1 A 57 57 LYS HA H 57 3.996 4.331 -0.335 1
1 736 . 16 1 1 A 57 57 LYS C C 57 172.527 179.559 -7.032 1
1 737 . 16 1 1 A 57 57 LYS CA C 57 60.872 59.017 1.855 1
1 738 . 16 1 1 A 57 57 LYS CB C 57 33.853 32.203 1.650 1
1 742 . 16 1 1 A 57 57 LYS N N 57 119.855 119.281 0.574 1
1 743 . 16 1 1 A 58 58 SER H H 58 7.729 8.359 -0.630 1
1 744 . 16 1 1 A 58 58 SER HA H 58 4.125 4.361 -0.236 1
1 747 . 16 1 1 A 58 58 SER C C 58 176.527 175.597 0.930 1
1 748 . 16 1 1 A 58 58 SER CA C 58 63.029 61.182 1.847 1
1 749 . 16 1 1 A 58 58 SER CB C 58 64.686 63.178 1.508 1
1 750 . 16 1 1 A 58 58 SER N N 58 115.984 116.407 -0.423 1
1 751 . 16 1 1 A 59 59 LEU H H 59 7.288 7.357 -0.069 1
1 752 . 16 1 1 A 59 59 LEU HA H 59 4.058 4.120 -0.062 1
1 762 . 16 1 1 A 59 59 LEU C C 59 175.827 178.047 -2.220 1
1 763 . 16 1 1 A 59 59 LEU CA C 59 57.364 57.138 0.226 1
1 764 . 16 1 1 A 59 59 LEU CB C 59 42.712 42.017 0.695 1
1 768 . 16 1 1 A 59 59 LEU N N 59 120.622 119.113 1.509 1
1 769 . 16 1 1 A 60 60 ASP H H 60 7.431 8.274 -0.843 1
1 770 . 16 1 1 A 60 60 ASP HA H 60 4.386 4.403 -0.017 1
1 773 . 16 1 1 A 60 60 ASP C C 60 175.927 178.395 -2.468 1
1 774 . 16 1 1 A 60 60 ASP CA C 60 57.012 57.329 -0.317 1
1 775 . 16 1 1 A 60 60 ASP CB C 60 42.351 40.272 2.079 1
1 776 . 16 1 1 A 60 60 ASP N N 60 116.755 119.648 -2.893 1
1 777 . 16 1 1 A 61 61 LYS H H 61 7.243 9.300 -2.057 1
1 778 . 16 1 1 A 61 61 LYS HA H 61 4.223 4.136 0.087 1
1 787 . 16 1 1 A 61 61 LYS C C 61 176.527 176.865 -0.338 1
1 788 . 16 1 1 A 61 61 LYS CA C 61 57.287 58.858 -1.571 1
1 789 . 16 1 1 A 61 61 LYS CB C 61 34.683 31.672 3.011 1
1 793 . 16 1 1 A 61 61 LYS N N 61 119.913 117.050 2.863 1
1 794 . 16 1 1 A 62 62 ASN H H 62 8.725 7.899 0.826 1
1 795 . 16 1 1 A 62 62 ASN HA H 62 4.462 5.078 -0.616 1
1 800 . 16 1 1 A 62 62 ASN C C 62 175.627 175.708 -0.081 1
1 801 . 16 1 1 A 62 62 ASN CA C 62 55.452 52.209 3.243 1
1 802 . 16 1 1 A 62 62 ASN CB C 62 39.336 39.380 -0.044 1
1 803 . 16 1 1 A 62 62 ASN N N 62 120.247 118.333 1.914 1
1 805 . 16 1 1 A 63 63 SER H H 63 8.061 8.320 -0.259 1
1 806 . 16 1 1 A 63 63 SER HA H 63 3.957 4.315 -0.358 1
1 809 . 16 1 1 A 63 63 SER C C 63 174.827 174.828 -0.001 1
1 810 . 16 1 1 A 63 63 SER CA C 63 62.954 59.778 3.176 1
1 811 . 16 1 1 A 63 63 SER CB C 63 65.586 62.702 2.884 1
1 812 . 16 1 1 A 63 63 SER N N 63 113.249 115.669 -2.420 1
1 813 . 16 1 1 A 64 64 ASP H H 64 8.408 7.967 0.441 1
1 814 . 16 1 1 A 64 64 ASP HA H 64 4.573 4.567 0.006 1
1 817 . 16 1 1 A 64 64 ASP C C 64 176.027 176.143 -0.116 1
1 818 . 16 1 1 A 64 64 ASP CA C 64 55.789 54.645 1.144 1
1 819 . 16 1 1 A 64 64 ASP CB C 64 42.365 40.740 1.625 1
1 820 . 16 1 1 A 64 64 ASP N N 64 117.587 118.070 -0.483 1
1 821 . 16 1 1 A 65 65 GLN H H 65 7.779 7.762 0.017 1
1 822 . 16 1 1 A 65 65 GLN HA H 65 4.026 4.645 -0.619 1
1 829 . 16 1 1 A 65 65 GLN C C 65 176.827 175.369 1.458 1
1 830 . 16 1 1 A 65 65 GLN CA C 65 58.241 54.299 3.942 1
1 831 . 16 1 1 A 65 65 GLN CB C 65 31.309 30.172 1.137 1
1 833 . 16 1 1 A 65 65 GLN N N 65 121.059 119.640 1.419 1
1 835 . 16 1 1 A 66 66 GLU H H 66 8.365 8.691 -0.326 1
1 836 . 16 1 1 A 66 66 GLU HA H 66 4.320 5.088 -0.768 1
1 841 . 16 1 1 A 66 66 GLU C C 66 176.227 176.586 -0.359 1
1 842 . 16 1 1 A 66 66 GLU CA C 66 58.238 55.498 2.740 1
1 843 . 16 1 1 A 66 66 GLU CB C 66 32.567 31.819 0.748 1
1 845 . 16 1 1 A 66 66 GLU N N 66 123.061 120.409 2.652 1
1 846 . 16 1 1 A 67 67 ILE H H 67 9.350 9.160 0.190 1
1 847 . 16 1 1 A 67 67 ILE HA H 67 4.543 4.965 -0.422 1
1 857 . 16 1 1 A 67 67 ILE C C 67 178.127 175.423 2.704 1
1 858 . 16 1 1 A 67 67 ILE CA C 67 61.173 58.985 2.188 1
1 859 . 16 1 1 A 67 67 ILE CB C 67 41.460 41.364 0.096 1
1 863 . 16 1 1 A 67 67 ILE N N 67 121.809 118.858 2.951 1
1 864 . 16 1 1 A 68 68 ASP H H 68 8.140 8.569 -0.429 1
1 865 . 16 1 1 A 68 68 ASP HA H 68 5.408 5.390 0.018 1
1 868 . 16 1 1 A 68 68 ASP C C 68 176.127 176.327 -0.200 1
1 869 . 16 1 1 A 68 68 ASP CA C 68 53.471 52.434 1.037 1
1 870 . 16 1 1 A 68 68 ASP CB C 68 43.898 42.077 1.821 1
1 871 . 16 1 1 A 68 68 ASP N N 68 122.626 122.724 -0.098 1
1 872 . 16 1 1 A 69 69 PHE H H 69 9.486 8.894 0.592 1
1 873 . 16 1 1 A 69 69 PHE HA H 69 3.397 3.919 -0.522 1
1 880 . 16 1 1 A 69 69 PHE C C 69 174.727 177.529 -2.802 1
1 881 . 16 1 1 A 69 69 PHE CA C 69 63.764 61.412 2.352 1
1 882 . 16 1 1 A 69 69 PHE CB C 69 42.009 38.995 3.014 1
1 883 . 16 1 1 A 69 69 PHE N N 69 118.584 120.256 -1.672 1
1 884 . 16 1 1 A 70 70 LYS H H 70 7.510 8.640 -1.130 1
1 885 . 16 1 1 A 70 70 LYS HA H 70 3.633 4.012 -0.379 1
1 894 . 16 1 1 A 70 70 LYS C C 70 173.627 179.053 -5.426 1
1 895 . 16 1 1 A 70 70 LYS CA C 70 61.940 59.788 2.152 1
1 896 . 16 1 1 A 70 70 LYS CB C 70 33.189 31.972 1.217 1
1 900 . 16 1 1 A 70 70 LYS N N 70 117.327 119.555 -2.228 1
1 901 . 16 1 1 A 71 71 GLU H H 71 8.151 8.359 -0.208 1
1 902 . 16 1 1 A 71 71 GLU HA H 71 3.930 4.087 -0.157 1
1 907 . 16 1 1 A 71 71 GLU C C 71 173.127 178.514 -5.387 1
1 908 . 16 1 1 A 71 71 GLU CA C 71 61.000 59.254 1.746 1
1 909 . 16 1 1 A 71 71 GLU CB C 71 31.639 29.438 2.201 1
1 911 . 16 1 1 A 71 71 GLU N N 71 120.925 117.963 2.962 1
1 912 . 16 1 1 A 72 72 TYR H H 72 8.454 8.285 0.169 1
1 913 . 16 1 1 A 72 72 TYR HA H 72 4.047 4.214 -0.167 1
1 920 . 16 1 1 A 72 72 TYR C C 72 177.227 177.672 -0.445 1
1 921 . 16 1 1 A 72 72 TYR CA C 72 62.068 61.196 0.872 1
1 922 . 16 1 1 A 72 72 TYR CB C 72 39.522 38.771 0.751 1
1 923 . 16 1 1 A 72 72 TYR N N 72 123.271 123.350 -0.079 1
1 924 . 16 1 1 A 73 73 SER H H 73 7.990 8.392 -0.402 1
1 925 . 16 1 1 A 73 73 SER HA H 73 3.245 3.892 -0.647 1
1 928 . 16 1 1 A 73 73 SER C C 73 174.327 176.374 -2.047 1
1 929 . 16 1 1 A 73 73 SER CA C 73 62.841 61.221 1.620 1
1 930 . 16 1 1 A 73 73 SER CB C 73 64.317 62.348 1.969 1
1 931 . 16 1 1 A 73 73 SER N N 73 115.432 114.178 1.254 1
1 932 . 16 1 1 A 74 74 VAL H H 74 8.112 8.153 -0.041 1
1 933 . 16 1 1 A 74 74 VAL HA H 74 3.375 3.784 -0.409 1
1 941 . 16 1 1 A 74 74 VAL C C 74 174.427 178.235 -3.808 1
1 942 . 16 1 1 A 74 74 VAL CA C 74 68.677 65.502 3.175 1
1 943 . 16 1 1 A 74 74 VAL CB C 74 33.164 31.616 1.548 1
1 946 . 16 1 1 A 74 74 VAL N N 74 123.807 119.632 4.175 1
1 947 . 16 1 1 A 75 75 PHE H H 75 8.149 8.310 -0.161 1
1 948 . 16 1 1 A 75 75 PHE HA H 75 3.878 4.139 -0.261 1
1 955 . 16 1 1 A 75 75 PHE C C 75 174.627 177.226 -2.599 1
1 956 . 16 1 1 A 75 75 PHE CA C 75 64.444 61.166 3.278 1
1 957 . 16 1 1 A 75 75 PHE CB C 75 40.823 39.416 1.407 1
1 958 . 16 1 1 A 75 75 PHE N N 75 122.351 123.890 -1.539 1
1 959 . 16 1 1 A 76 76 LEU H H 76 8.141 8.869 -0.728 1
1 960 . 16 1 1 A 76 76 LEU HA H 76 3.648 3.805 -0.157 1
1 970 . 16 1 1 A 76 76 LEU C C 76 173.327 178.729 -5.402 1
1 971 . 16 1 1 A 76 76 LEU CA C 76 59.810 58.115 1.695 1
1 972 . 16 1 1 A 76 76 LEU CB C 76 42.994 41.722 1.272 1
1 976 . 16 1 1 A 76 76 LEU N N 76 116.801 119.961 -3.160 1
1 977 . 16 1 1 A 77 77 THR H H 77 8.005 7.918 0.087 1
1 978 . 16 1 1 A 77 77 THR HA H 77 3.561 3.899 -0.338 1
1 984 . 16 1 1 A 77 77 THR C C 77 176.427 176.034 0.393 1
1 985 . 16 1 1 A 77 77 THR CA C 77 69.876 65.722 4.154 1
1 986 . 16 1 1 A 77 77 THR CB C 77 71.163 68.645 2.518 1
1 988 . 16 1 1 A 77 77 THR N N 77 116.415 114.824 1.591 1
1 989 . 16 1 1 A 78 78 MET H H 78 8.059 8.258 -0.199 1
1 990 . 16 1 1 A 78 78 MET HA H 78 3.771 4.011 -0.240 1
1 995 . 16 1 1 A 78 78 MET C C 78 172.927 178.332 -5.405 1
1 996 . 16 1 1 A 78 78 MET CA C 78 60.751 57.954 2.797 1
1 997 . 16 1 1 A 78 78 MET CB C 78 33.255 31.993 1.262 1
1 999 . 16 1 1 A 78 78 MET N N 78 120.960 120.293 0.667 1
1 1000 . 16 1 1 A 79 79 LEU H H 79 8.007 8.262 -0.255 1
1 1001 . 16 1 1 A 79 79 LEU HA H 79 3.646 3.922 -0.276 1
1 1011 . 16 1 1 A 79 79 LEU C C 79 174.527 178.255 -3.728 1
1 1012 . 16 1 1 A 79 79 LEU CA C 79 59.756 57.764 1.992 1
1 1013 . 16 1 1 A 79 79 LEU CB C 79 42.961 41.345 1.616 1
1 1017 . 16 1 1 A 79 79 LEU N N 79 120.772 120.624 0.148 1
1 1018 . 16 1 1 A 80 80 CYS H H 80 8.268 8.513 -0.245 1
1 1019 . 16 1 1 A 80 80 CYS HA H 80 3.344 3.302 0.042 1
1 1022 . 16 1 1 A 80 80 CYS C C 80 176.127 176.689 -0.562 1
1 1023 . 16 1 1 A 80 80 CYS CA C 80 64.083 62.468 1.615 1
1 1024 . 16 1 1 A 80 80 CYS CB C 80 28.199 26.678 1.521 1
1 1025 . 16 1 1 A 80 80 CYS N N 80 118.257 117.848 0.409 1
1 1026 . 16 1 1 A 81 81 MET H H 81 7.600 7.701 -0.101 1
1 1027 . 16 1 1 A 81 81 MET HA H 81 3.242 3.843 -0.601 1
1 1035 . 16 1 1 A 81 81 MET C C 81 176.227 176.428 -0.201 1
1 1036 . 16 1 1 A 81 81 MET CA C 81 60.091 56.612 3.479 1
1 1037 . 16 1 1 A 81 81 MET CB C 81 34.090 30.757 3.333 1
1 1040 . 16 1 1 A 81 81 MET N N 81 114.515 118.154 -3.639 1
1 1041 . 16 1 1 A 82 82 ALA H H 82 7.299 7.392 -0.093 1
1 1042 . 16 1 1 A 82 82 ALA HA H 82 4.121 4.177 -0.056 1
1 1046 . 16 1 1 A 82 82 ALA C C 82 173.827 177.627 -3.800 1
1 1047 . 16 1 1 A 82 82 ALA CA C 82 54.930 53.307 1.623 1
1 1048 . 16 1 1 A 82 82 ALA CB C 82 20.641 18.880 1.761 1
1 1049 . 16 1 1 A 82 82 ALA N N 82 118.977 122.935 -3.958 1
1 1050 . 16 1 1 A 83 83 TYR H H 83 7.623 7.349 0.274 1
1 1051 . 16 1 1 A 83 83 TYR HA H 83 4.771 4.807 -0.036 1
1 1058 . 16 1 1 A 83 83 TYR CA C 83 59.333 57.442 1.891 1
1 1059 . 16 1 1 A 83 83 TYR CB C 83 41.599 40.639 0.960 1
1 1060 . 16 1 1 A 83 83 TYR N N 83 113.311 113.816 -0.505 1
1 1061 . 16 1 1 A 84 84 ASN HA H 84 4.534 4.781 -0.247 1
1 1064 . 16 1 1 A 84 84 ASN CA C 84 56.126 53.653 2.473 1
1 1065 . 16 1 1 A 84 84 ASN CB C 84 41.990 39.153 2.837 1
1 1066 . 16 1 1 A 85 85 ASP H H 85 8.681 9.067 -0.386 1
1 1067 . 16 1 1 A 85 85 ASP HA H 85 4.086 4.482 -0.396 1
1 1070 . 16 1 1 A 85 85 ASP CA C 85 58.457 55.831 2.626 1
1 1071 . 16 1 1 A 85 85 ASP CB C 85 42.260 39.722 2.538 1
1 1072 . 16 1 1 A 85 85 ASP N N 85 126.079 124.540 1.539 1
1 1073 . 16 1 1 A 86 86 PHE H H 86 8.672 8.145 0.527 1
1 1074 . 16 1 1 A 86 86 PHE HA H 86 3.744 4.149 -0.405 1
1 1081 . 16 1 1 A 86 86 PHE C C 86 176.827 176.988 -0.161 1
1 1082 . 16 1 1 A 86 86 PHE CA C 86 62.903 60.871 2.032 1
1 1083 . 16 1 1 A 86 86 PHE CB C 86 41.596 38.356 3.240 1
1 1084 . 16 1 1 A 86 86 PHE N N 86 121.950 117.811 4.139 1
1 1085 . 16 1 1 A 87 87 PHE H H 87 7.225 7.822 -0.597 1
1 1086 . 16 1 1 A 87 87 PHE HA H 87 3.836 4.743 -0.907 1
1 1093 . 16 1 1 A 87 87 PHE C C 87 176.927 175.302 1.625 1
1 1094 . 16 1 1 A 87 87 PHE CA C 87 60.422 57.656 2.766 1
1 1095 . 16 1 1 A 87 87 PHE CB C 87 41.081 38.685 2.396 1
1 1096 . 16 1 1 A 87 87 PHE N N 87 110.928 116.686 -5.758 1
1 1097 . 16 1 1 A 88 88 LEU H H 88 7.130 7.424 -0.294 1
1 1098 . 16 1 1 A 88 88 LEU HA H 88 4.169 4.392 -0.223 1
1 1108 . 16 1 1 A 88 88 LEU C C 88 175.027 176.571 -1.544 1
1 1109 . 16 1 1 A 88 88 LEU CA C 88 56.962 53.815 3.147 1
1 1110 . 16 1 1 A 88 88 LEU CB C 88 44.199 43.541 0.658 1
1 1114 . 16 1 1 A 88 88 LEU N N 88 119.732 118.500 1.232 1
1 1115 . 16 1 1 A 89 89 GLU H H 89 8.097 8.742 -0.645 1
1 1116 . 16 1 1 A 89 89 GLU HA H 89 4.087 4.655 -0.568 1
1 1121 . 16 1 1 A 89 89 GLU C C 89 176.427 176.048 0.379 1
1 1122 . 16 1 1 A 89 89 GLU CA C 89 58.216 55.689 2.527 1
1 1123 . 16 1 1 A 89 89 GLU CB C 89 32.309 31.835 0.474 1
1 1125 . 16 1 1 A 89 89 GLU N N 89 121.626 117.567 4.059 1
1 1126 . 16 1 1 A 90 90 ASP H H 90 8.243 8.310 -0.067 1
1 1127 . 16 1 1 A 90 90 ASP HA H 90 4.425 4.308 0.117 1
1 1130 . 16 1 1 A 90 90 ASP C C 90 176.527 176.264 0.263 1
1 1131 . 16 1 1 A 90 90 ASP CA C 90 55.815 55.707 0.108 1
1 1132 . 16 1 1 A 90 90 ASP CB C 90 42.874 39.556 3.318 1
1 1133 . 16 1 1 A 90 90 ASP N N 90 121.280 117.250 4.030 1
1 1134 . 16 1 1 A 91 91 ASN H H 91 8.267 8.183 0.084 1
1 1135 . 16 1 1 A 91 91 ASN HA H 91 4.563 4.852 -0.289 1
1 1140 . 16 1 1 A 91 91 ASN C C 91 178.127 174.307 3.820 1
1 1141 . 16 1 1 A 91 91 ASN CA C 91 54.928 53.118 1.810 1
1 1142 . 16 1 1 A 91 91 ASN CB C 91 40.529 39.842 0.687 1
1 1143 . 16 1 1 A 91 91 ASN N N 91 119.209 115.164 4.045 1
1 14 . 17 1 1 A 2 2 GLU H H 2 8.722 8.054 0.668 1
1 15 . 17 1 1 A 2 2 GLU HA H 2 4.557 3.869 0.688 1
1 20 . 17 1 1 A 2 2 GLU C C 2 175.827 175.003 0.824 1
1 21 . 17 1 1 A 2 2 GLU CA C 2 58.063 57.507 0.556 1
1 22 . 17 1 1 A 2 2 GLU CB C 2 33.147 27.062 6.085 1
1 24 . 17 1 1 A 2 2 GLU N N 2 124.627 115.296 9.331 1
1 25 . 17 1 1 A 3 3 THR H H 3 8.670 7.603 1.067 1
1 26 . 17 1 1 A 3 3 THR HA H 3 4.616 4.965 -0.349 1
1 31 . 17 1 1 A 3 3 THR CA C 3 61.734 58.870 2.864 1
1 32 . 17 1 1 A 3 3 THR CB C 3 70.590 70.295 0.295 1
1 34 . 17 1 1 A 3 3 THR N N 3 116.274 109.624 6.650 1
1 35 . 17 1 1 A 4 4 PRO HA H 4 4.161 4.457 -0.296 1
1 42 . 17 1 1 A 4 4 PRO C C 4 172.227 178.081 -5.854 1
1 43 . 17 1 1 A 4 4 PRO CA C 4 68.211 65.409 2.802 1
1 44 . 17 1 1 A 4 4 PRO CB C 4 33.796 32.014 1.782 1
1 47 . 17 1 1 A 5 5 LEU H H 5 9.207 7.722 1.485 1
1 48 . 17 1 1 A 5 5 LEU HA H 5 4.038 4.063 -0.025 1
1 58 . 17 1 1 A 5 5 LEU C C 5 174.327 178.269 -3.942 1
1 59 . 17 1 1 A 5 5 LEU CA C 5 59.483 57.312 2.171 1
1 60 . 17 1 1 A 5 5 LEU CB C 5 43.877 41.044 2.833 1
1 64 . 17 1 1 A 5 5 LEU N N 5 119.157 117.585 1.572 1
1 65 . 17 1 1 A 6 6 GLU H H 6 7.661 8.310 -0.649 1
1 66 . 17 1 1 A 6 6 GLU HA H 6 3.755 3.942 -0.187 1
1 71 . 17 1 1 A 6 6 GLU C C 6 172.727 178.907 -6.180 1
1 72 . 17 1 1 A 6 6 GLU CA C 6 61.953 59.494 2.459 1
1 73 . 17 1 1 A 6 6 GLU CB C 6 31.354 29.333 2.021 1
1 75 . 17 1 1 A 6 6 GLU N N 6 119.837 118.995 0.842 1
1 76 . 17 1 1 A 7 7 LYS H H 7 8.430 8.151 0.279 1
1 77 . 17 1 1 A 7 7 LYS HA H 7 3.921 4.215 -0.294 1
1 86 . 17 1 1 A 7 7 LYS C C 7 172.927 178.320 -5.393 1
1 87 . 17 1 1 A 7 7 LYS CA C 7 61.312 58.112 3.200 1
1 88 . 17 1 1 A 7 7 LYS CB C 7 33.861 32.308 1.553 1
1 92 . 17 1 1 A 7 7 LYS N N 7 119.023 118.626 0.397 1
1 93 . 17 1 1 A 8 8 ALA H H 8 8.079 8.055 0.024 1
1 94 . 17 1 1 A 8 8 ALA HA H 8 4.085 4.266 -0.181 1
1 98 . 17 1 1 A 8 8 ALA C C 8 173.027 179.692 -6.665 1
1 99 . 17 1 1 A 8 8 ALA CA C 8 56.967 54.785 2.182 1
1 100 . 17 1 1 A 8 8 ALA CB C 8 20.140 19.229 0.911 1
1 101 . 17 1 1 A 8 8 ALA N N 8 123.824 122.632 1.192 1
1 102 . 17 1 1 A 9 9 LEU H H 9 8.032 8.316 -0.284 1
1 103 . 17 1 1 A 9 9 LEU HA H 9 4.061 4.008 0.053 1
1 113 . 17 1 1 A 9 9 LEU C C 9 172.527 179.165 -6.638 1
1 114 . 17 1 1 A 9 9 LEU CA C 9 60.071 57.971 2.100 1
1 115 . 17 1 1 A 9 9 LEU CB C 9 42.714 42.407 0.307 1
1 119 . 17 1 1 A 9 9 LEU N N 9 118.643 118.153 0.490 1
1 120 . 17 1 1 A 10 10 THR H H 10 8.686 8.193 0.493 1
1 121 . 17 1 1 A 10 10 THR HA H 10 3.798 3.944 -0.146 1
1 126 . 17 1 1 A 10 10 THR C C 10 175.127 176.771 -1.644 1
1 127 . 17 1 1 A 10 10 THR CA C 10 69.282 66.546 2.736 1
1 128 . 17 1 1 A 10 10 THR CB C 10 70.132 68.616 1.516 1
1 130 . 17 1 1 A 10 10 THR N N 10 117.087 113.904 3.183 1
1 131 . 17 1 1 A 11 11 THR H H 11 8.628 8.230 0.398 1
1 132 . 17 1 1 A 11 11 THR HA H 11 3.961 3.948 0.013 1
1 137 . 17 1 1 A 11 11 THR C C 11 174.427 176.973 -2.546 1
1 138 . 17 1 1 A 11 11 THR CA C 11 68.408 66.988 1.420 1
1 139 . 17 1 1 A 11 11 THR CB C 11 69.107 68.715 0.392 1
1 141 . 17 1 1 A 11 11 THR N N 11 120.770 116.924 3.846 1
1 142 . 17 1 1 A 12 12 MET H H 12 8.390 8.640 -0.250 1
1 143 . 17 1 1 A 12 12 MET HA H 12 3.956 4.424 -0.468 1
1 151 . 17 1 1 A 12 12 MET C C 12 175.127 178.556 -3.429 1
1 152 . 17 1 1 A 12 12 MET CA C 12 62.750 57.723 5.027 1
1 153 . 17 1 1 A 12 12 MET CB C 12 34.952 32.239 2.713 1
1 156 . 17 1 1 A 12 12 MET N N 12 124.388 119.011 5.377 1
1 157 . 17 1 1 A 13 13 VAL H H 13 8.104 8.564 -0.460 1
1 158 . 17 1 1 A 13 13 VAL HA H 13 3.576 3.848 -0.272 1
1 166 . 17 1 1 A 13 13 VAL C C 13 175.327 178.490 -3.163 1
1 167 . 17 1 1 A 13 13 VAL CA C 13 68.958 65.595 3.363 1
1 168 . 17 1 1 A 13 13 VAL CB C 13 33.703 31.585 2.118 1
1 171 . 17 1 1 A 13 13 VAL N N 13 121.753 116.971 4.782 1
1 172 . 17 1 1 A 14 14 THR H H 14 9.186 8.292 0.894 1
1 173 . 17 1 1 A 14 14 THR HA H 14 3.774 3.951 -0.177 1
1 178 . 17 1 1 A 14 14 THR C C 14 173.927 177.079 -3.152 1
1 179 . 17 1 1 A 14 14 THR CA C 14 67.955 65.843 2.112 1
1 180 . 17 1 1 A 14 14 THR CB C 14 70.504 68.317 2.187 1
1 182 . 17 1 1 A 14 14 THR N N 14 114.911 116.797 -1.886 1
1 183 . 17 1 1 A 15 15 THR H H 15 8.453 8.383 0.070 1
1 184 . 17 1 1 A 15 15 THR HA H 15 3.859 4.258 -0.399 1
1 190 . 17 1 1 A 15 15 THR C C 15 178.127 176.828 1.299 1
1 191 . 17 1 1 A 15 15 THR CA C 15 69.609 65.814 3.795 1
1 192 . 17 1 1 A 15 15 THR CB C 15 70.511 68.486 2.025 1
1 194 . 17 1 1 A 15 15 THR N N 15 118.791 113.415 5.376 1
1 195 . 17 1 1 A 16 16 PHE H H 16 7.207 8.513 -1.306 1
1 196 . 17 1 1 A 16 16 PHE HA H 16 3.572 4.112 -0.540 1
1 203 . 17 1 1 A 16 16 PHE C C 16 178.527 177.466 1.061 1
1 204 . 17 1 1 A 16 16 PHE CA C 16 64.090 61.525 2.565 1
1 205 . 17 1 1 A 16 16 PHE CB C 16 41.091 38.922 2.169 1
1 206 . 17 1 1 A 16 16 PHE N N 16 121.331 124.712 -3.381 1
1 207 . 17 1 1 A 17 17 HIS H H 17 8.393 8.555 -0.162 1
1 208 . 17 1 1 A 17 17 HIS HA H 17 5.329 4.405 0.924 1
1 211 . 17 1 1 A 17 17 HIS C C 17 174.627 177.217 -2.590 1
1 212 . 17 1 1 A 17 17 HIS CA C 17 56.667 60.297 -3.630 1
1 213 . 17 1 1 A 17 17 HIS CB C 17 32.397 29.809 2.588 1
1 214 . 17 1 1 A 17 17 HIS N N 17 117.858 118.972 -1.114 1
1 215 . 17 1 1 A 18 18 LYS H H 18 7.767 8.125 -0.358 1
1 216 . 17 1 1 A 18 18 LYS HA H 18 3.553 3.981 -0.428 1
1 225 . 17 1 1 A 18 18 LYS C C 18 175.527 177.401 -1.874 1
1 226 . 17 1 1 A 18 18 LYS CA C 18 61.301 59.011 2.290 1
1 227 . 17 1 1 A 18 18 LYS CB C 18 33.523 32.134 1.389 1
1 231 . 17 1 1 A 18 18 LYS N N 18 120.691 118.196 2.495 1
1 232 . 17 1 1 A 19 19 TYR H H 19 7.079 7.639 -0.560 1
1 233 . 17 1 1 A 19 19 TYR HA H 19 3.993 4.559 -0.566 1
1 240 . 17 1 1 A 19 19 TYR C C 19 174.227 178.057 -3.830 1
1 241 . 17 1 1 A 19 19 TYR CA C 19 61.287 59.089 2.198 1
1 242 . 17 1 1 A 19 19 TYR CB C 19 42.066 39.729 2.337 1
1 243 . 17 1 1 A 19 19 TYR N N 19 114.592 116.504 -1.912 1
1 244 . 17 1 1 A 20 20 SER H H 20 9.708 8.691 1.017 1
1 245 . 17 1 1 A 20 20 SER HA H 20 4.117 4.085 0.032 1
1 248 . 17 1 1 A 20 20 SER C C 20 175.227 176.992 -1.765 1
1 249 . 17 1 1 A 20 20 SER CA C 20 60.135 61.241 -1.106 1
1 250 . 17 1 1 A 20 20 SER CB C 20 63.159 62.059 1.100 1
1 251 . 17 1 1 A 20 20 SER N N 20 121.764 116.641 5.123 1
1 252 . 17 1 1 A 21 21 GLY H H 21 8.146 8.264 -0.118 1
1 253 . 17 1 1 A 21 21 GLY HA2 H 21 3.956 3.911 0.045 1
1 254 . 17 1 1 A 21 21 GLY HA3 H 21 3.571 4.009 -0.438 1
1 255 . 17 1 1 A 21 21 GLY C C 21 177.927 174.518 3.409 1
1 256 . 17 1 1 A 21 21 GLY CA C 21 46.646 45.997 0.649 1
1 257 . 17 1 1 A 21 21 GLY N N 21 106.982 108.979 -1.997 1
1 258 . 17 1 1 A 22 22 ARG H H 22 7.007 7.762 -0.755 1
1 259 . 17 1 1 A 22 22 ARG HA H 22 3.815 4.360 -0.545 1
1 266 . 17 1 1 A 22 22 ARG C C 22 175.927 176.429 -0.502 1
1 267 . 17 1 1 A 22 22 ARG CA C 22 60.766 56.366 4.400 1
1 268 . 17 1 1 A 22 22 ARG CB C 22 32.302 30.567 1.735 1
1 271 . 17 1 1 A 22 22 ARG N N 22 118.055 116.539 1.516 1
1 272 . 17 1 1 A 23 23 GLU H H 23 7.551 7.929 -0.378 1
1 273 . 17 1 1 A 23 23 GLU HA H 23 4.436 4.396 0.040 1
1 278 . 17 1 1 A 23 23 GLU C C 23 177.727 176.744 0.983 1
1 279 . 17 1 1 A 23 23 GLU CA C 23 56.853 57.216 -0.363 1
1 280 . 17 1 1 A 23 23 GLU CB C 23 33.988 31.402 2.586 1
1 282 . 17 1 1 A 23 23 GLU N N 23 114.631 116.765 -2.134 1
1 283 . 17 1 1 A 24 24 GLY H H 24 8.376 7.659 0.717 1
1 284 . 17 1 1 A 24 24 GLY HA2 H 24 3.771 4.013 -0.242 1
1 285 . 17 1 1 A 24 24 GLY HA3 H 24 3.567 4.093 -0.526 1
1 286 . 17 1 1 A 24 24 GLY C C 24 177.127 173.393 3.734 1
1 287 . 17 1 1 A 24 24 GLY CA C 24 47.718 45.032 2.686 1
1 288 . 17 1 1 A 24 24 GLY N N 24 107.626 105.955 1.671 1
1 289 . 17 1 1 A 25 25 SER H H 25 8.443 7.385 1.058 1
1 290 . 17 1 1 A 25 25 SER HA H 25 4.314 4.727 -0.413 1
1 293 . 17 1 1 A 25 25 SER C C 25 175.527 172.437 3.090 1
1 294 . 17 1 1 A 25 25 SER CA C 25 59.146 57.191 1.955 1
1 295 . 17 1 1 A 25 25 SER CB C 25 65.573 64.129 1.444 1
1 296 . 17 1 1 A 25 25 SER N N 25 119.000 114.391 4.609 1
1 297 . 17 1 1 A 26 26 LYS H H 26 8.821 8.779 0.042 1
1 298 . 17 1 1 A 26 26 LYS HA H 26 4.307 4.569 -0.262 1
1 307 . 17 1 1 A 26 26 LYS C C 26 176.027 177.227 -1.200 1
1 308 . 17 1 1 A 26 26 LYS CA C 26 59.180 55.760 3.420 1
1 309 . 17 1 1 A 26 26 LYS CB C 26 33.211 33.115 0.096 1
1 313 . 17 1 1 A 26 26 LYS N N 26 126.125 124.647 1.478 1
1 314 . 17 1 1 A 27 27 LEU H H 27 8.237 7.557 0.680 1
1 315 . 17 1 1 A 27 27 LEU HA H 27 4.534 4.525 0.009 1
1 325 . 17 1 1 A 27 27 LEU C C 27 175.627 175.809 -0.182 1
1 326 . 17 1 1 A 27 27 LEU CA C 27 56.384 54.715 1.669 1
1 327 . 17 1 1 A 27 27 LEU CB C 27 44.218 44.152 0.066 1
1 331 . 17 1 1 A 27 27 LEU N N 27 117.484 114.195 3.289 1
1 332 . 17 1 1 A 28 28 THR H H 28 7.386 7.879 -0.493 1
1 333 . 17 1 1 A 28 28 THR HA H 28 5.517 5.768 -0.251 1
1 338 . 17 1 1 A 28 28 THR C C 28 180.227 172.847 7.380 1
1 339 . 17 1 1 A 28 28 THR CA C 28 61.014 60.312 0.702 1
1 340 . 17 1 1 A 28 28 THR CB C 28 75.348 72.548 2.800 1
1 342 . 17 1 1 A 28 28 THR N N 28 106.230 109.833 -3.603 1
1 343 . 17 1 1 A 29 29 LEU H H 29 8.721 8.665 0.056 1
1 344 . 17 1 1 A 29 29 LEU HA H 29 4.713 4.753 -0.040 1
1 354 . 17 1 1 A 29 29 LEU C C 29 176.927 175.517 1.410 1
1 355 . 17 1 1 A 29 29 LEU CA C 29 55.163 53.639 1.524 1
1 356 . 17 1 1 A 29 29 LEU CB C 29 46.059 44.459 1.600 1
1 360 . 17 1 1 A 29 29 LEU N N 29 116.728 118.199 -1.471 1
1 361 . 17 1 1 A 30 30 SER H H 30 8.866 9.205 -0.339 1
1 362 . 17 1 1 A 30 30 SER HA H 30 4.942 4.768 0.174 1
1 365 . 17 1 1 A 30 30 SER C C 30 176.327 175.323 1.004 1
1 366 . 17 1 1 A 30 30 SER CA C 30 59.032 57.515 1.517 1
1 367 . 17 1 1 A 30 30 SER CB C 30 67.150 64.612 2.538 1
1 368 . 17 1 1 A 30 30 SER N N 30 117.110 114.373 2.737 1
1 369 . 17 1 1 A 31 31 ARG H H 31 8.393 9.030 -0.637 1
1 370 . 17 1 1 A 31 31 ARG HA H 31 3.695 3.978 -0.283 1
1 377 . 17 1 1 A 31 31 ARG C C 31 174.127 177.929 -3.802 1
1 378 . 17 1 1 A 31 31 ARG CA C 31 62.776 58.833 3.943 1
1 379 . 17 1 1 A 31 31 ARG CB C 31 31.601 30.243 1.358 1
1 382 . 17 1 1 A 31 31 ARG N N 31 121.109 122.478 -1.369 1
1 383 . 17 1 1 A 32 32 LYS H H 32 8.264 7.685 0.579 1
1 384 . 17 1 1 A 32 32 LYS HA H 32 3.912 4.045 -0.133 1
1 393 . 17 1 1 A 32 32 LYS C C 32 172.827 178.780 -5.953 1
1 394 . 17 1 1 A 32 32 LYS CA C 32 61.591 59.474 2.117 1
1 395 . 17 1 1 A 32 32 LYS CB C 32 34.116 32.568 1.548 1
1 399 . 17 1 1 A 32 32 LYS N N 32 118.536 119.135 -0.599 1
1 400 . 17 1 1 A 33 33 GLU H H 33 7.790 7.801 -0.011 1
1 401 . 17 1 1 A 33 33 GLU HA H 33 4.049 3.977 0.072 1
1 406 . 17 1 1 A 33 33 GLU C C 33 174.327 178.249 -3.922 1
1 407 . 17 1 1 A 33 33 GLU CA C 33 60.634 59.017 1.617 1
1 408 . 17 1 1 A 33 33 GLU CB C 33 31.617 29.413 2.204 1
1 410 . 17 1 1 A 33 33 GLU N N 33 121.557 120.173 1.384 1
1 411 . 17 1 1 A 34 34 LEU H H 34 8.388 8.249 0.139 1
1 412 . 17 1 1 A 34 34 LEU HA H 34 3.844 3.787 0.057 1
1 422 . 17 1 1 A 34 34 LEU C C 34 174.927 178.466 -3.539 1
1 423 . 17 1 1 A 34 34 LEU CA C 34 59.173 57.577 1.596 1
1 424 . 17 1 1 A 34 34 LEU CB C 34 42.053 41.719 0.334 1
1 428 . 17 1 1 A 34 34 LEU N N 34 120.999 120.996 0.003 1
1 429 . 17 1 1 A 35 35 LYS H H 35 7.817 7.886 -0.069 1
1 430 . 17 1 1 A 35 35 LYS HA H 35 3.478 3.757 -0.279 1
1 439 . 17 1 1 A 35 35 LYS C C 35 174.627 178.137 -3.510 1
1 440 . 17 1 1 A 35 35 LYS CA C 35 62.312 59.431 2.881 1
1 441 . 17 1 1 A 35 35 LYS CB C 35 33.814 32.051 1.763 1
1 445 . 17 1 1 A 35 35 LYS N N 35 118.738 118.595 0.143 1
1 446 . 17 1 1 A 36 36 GLU H H 36 7.208 7.452 -0.244 1
1 447 . 17 1 1 A 36 36 GLU HA H 36 3.801 4.157 -0.356 1
1 452 . 17 1 1 A 36 36 GLU C C 36 175.227 178.459 -3.232 1
1 453 . 17 1 1 A 36 36 GLU CA C 36 61.015 58.701 2.314 1
1 454 . 17 1 1 A 36 36 GLU CB C 36 30.770 29.411 1.359 1
1 456 . 17 1 1 A 36 36 GLU N N 36 118.771 119.021 -0.250 1
1 457 . 17 1 1 A 37 37 LEU H H 37 8.038 7.996 0.042 1
1 458 . 17 1 1 A 37 37 LEU HA H 37 3.178 3.111 0.067 1
1 468 . 17 1 1 A 37 37 LEU C C 37 172.927 178.359 -5.432 1
1 469 . 17 1 1 A 37 37 LEU CA C 37 60.915 57.883 3.032 1
1 470 . 17 1 1 A 37 37 LEU CB C 37 43.352 40.992 2.360 1
1 474 . 17 1 1 A 37 37 LEU N N 37 121.767 120.594 1.173 1
1 475 . 17 1 1 A 38 38 ILE H H 38 8.224 8.159 0.065 1
1 476 . 17 1 1 A 38 38 ILE HA H 38 3.234 3.548 -0.314 1
1 486 . 17 1 1 A 38 38 ILE C C 38 174.727 178.653 -3.926 1
1 487 . 17 1 1 A 38 38 ILE CA C 38 66.464 65.938 0.526 1
1 488 . 17 1 1 A 38 38 ILE CB C 38 38.799 38.075 0.724 1
1 492 . 17 1 1 A 38 38 ILE N N 38 119.417 120.076 -0.659 1
1 493 . 17 1 1 A 39 39 LYS H H 39 7.700 7.794 -0.094 1
1 494 . 17 1 1 A 39 39 LYS HA H 39 3.894 4.283 -0.389 1
1 503 . 17 1 1 A 39 39 LYS C C 39 173.727 177.561 -3.834 1
1 504 . 17 1 1 A 39 39 LYS CA C 39 61.015 58.637 2.378 1
1 505 . 17 1 1 A 39 39 LYS CB C 39 34.100 32.084 2.016 1
1 509 . 17 1 1 A 39 39 LYS N N 39 117.277 118.707 -1.430 1
1 510 . 17 1 1 A 40 40 LYS H H 40 8.170 7.613 0.557 1
1 511 . 17 1 1 A 40 40 LYS HA H 40 4.226 4.347 -0.121 1
1 520 . 17 1 1 A 40 40 LYS C C 40 173.427 178.381 -4.954 1
1 521 . 17 1 1 A 40 40 LYS CA C 40 59.251 58.245 1.006 1
1 522 . 17 1 1 A 40 40 LYS CB C 40 35.528 33.502 2.026 1
1 526 . 17 1 1 A 40 40 LYS N N 40 115.146 118.136 -2.990 1
1 527 . 17 1 1 A 41 41 GLU H H 41 8.778 7.611 1.167 1
1 528 . 17 1 1 A 41 41 GLU HA H 41 4.629 4.423 0.206 1
1 533 . 17 1 1 A 41 41 GLU C C 41 175.527 176.623 -1.096 1
1 534 . 17 1 1 A 41 41 GLU CA C 41 57.177 57.665 -0.488 1
1 535 . 17 1 1 A 41 41 GLU CB C 41 31.656 30.487 1.169 1
1 537 . 17 1 1 A 41 41 GLU N N 41 113.604 116.674 -3.070 1
1 538 . 17 1 1 A 42 42 LEU H H 42 7.610 7.868 -0.258 1
1 539 . 17 1 1 A 42 42 LEU HA H 42 4.475 4.671 -0.196 1
1 549 . 17 1 1 A 42 42 LEU C C 42 177.227 176.467 0.760 1
1 550 . 17 1 1 A 42 42 LEU CA C 42 56.047 53.647 2.400 1
1 551 . 17 1 1 A 42 42 LEU CB C 42 45.748 44.254 1.494 1
1 555 . 17 1 1 A 42 42 LEU N N 42 118.997 120.380 -1.383 1
1 556 . 17 1 1 A 43 43 CYS H H 43 8.501 8.856 -0.355 1
1 557 . 17 1 1 A 43 43 CYS HA H 43 4.397 4.473 -0.076 1
1 560 . 17 1 1 A 43 43 CYS C C 43 177.327 175.134 2.193 1
1 561 . 17 1 1 A 43 43 CYS CA C 43 60.023 60.346 -0.323 1
1 562 . 17 1 1 A 43 43 CYS CB C 43 27.915 28.026 -0.111 1
1 563 . 17 1 1 A 43 43 CYS N N 43 119.622 120.750 -1.128 1
1 564 . 17 1 1 A 44 44 LEU H H 44 8.200 8.640 -0.440 1
1 565 . 17 1 1 A 44 44 LEU HA H 44 3.979 4.271 -0.292 1
1 575 . 17 1 1 A 44 44 LEU C C 44 173.927 176.597 -2.670 1
1 576 . 17 1 1 A 44 44 LEU CA C 44 57.244 56.211 1.033 1
1 577 . 17 1 1 A 44 44 LEU CB C 44 43.622 39.492 4.130 1
1 581 . 17 1 1 A 44 44 LEU N N 44 121.955 120.246 1.709 1
1 582 . 17 1 1 A 45 45 GLY H H 45 8.244 8.128 0.116 1
1 583 . 17 1 1 A 45 45 GLY HA2 H 45 3.849 3.982 -0.133 1
1 584 . 17 1 1 A 45 45 GLY HA3 H 45 3.789 4.023 -0.234 1
1 585 . 17 1 1 A 45 45 GLY C C 45 178.027 175.077 2.950 1
1 586 . 17 1 1 A 45 45 GLY CA C 45 47.023 45.465 1.558 1
1 587 . 17 1 1 A 45 45 GLY N N 45 107.702 105.115 2.587 1
1 588 . 17 1 1 A 46 46 GLU H H 46 8.286 8.080 0.206 1
1 589 . 17 1 1 A 46 46 GLU HA H 46 4.039 4.489 -0.450 1
1 594 . 17 1 1 A 46 46 GLU C C 46 175.127 176.091 -0.964 1
1 595 . 17 1 1 A 46 46 GLU CA C 46 59.176 56.850 2.326 1
1 596 . 17 1 1 A 46 46 GLU CB C 46 31.361 31.628 -0.267 1
1 598 . 17 1 1 A 46 46 GLU N N 46 119.602 116.925 2.677 1
1 599 . 17 1 1 A 47 47 MET H H 47 8.048 7.931 0.117 1
1 600 . 17 1 1 A 47 47 MET HA H 47 4.229 4.427 -0.198 1
1 608 . 17 1 1 A 47 47 MET C C 47 175.727 175.771 -0.044 1
1 609 . 17 1 1 A 47 47 MET CA C 47 58.183 54.985 3.198 1
1 610 . 17 1 1 A 47 47 MET CB C 47 34.087 32.711 1.376 1
1 613 . 17 1 1 A 47 47 MET N N 47 119.617 117.863 1.754 1
1 614 . 17 1 1 A 48 48 LYS H H 48 8.221 8.546 -0.325 1
1 615 . 17 1 1 A 48 48 LYS HA H 48 4.217 4.103 0.114 1
1 624 . 17 1 1 A 48 48 LYS C C 48 174.927 175.504 -0.577 1
1 625 . 17 1 1 A 48 48 LYS CA C 48 58.304 58.355 -0.051 1
1 626 . 17 1 1 A 48 48 LYS CB C 48 34.548 31.151 3.397 1
1 630 . 17 1 1 A 48 48 LYS N N 48 120.987 119.658 1.329 1
1 631 . 17 1 1 A 49 49 GLU H H 49 8.346 8.450 -0.104 1
1 632 . 17 1 1 A 49 49 GLU HA H 49 3.922 4.819 -0.897 1
1 637 . 17 1 1 A 49 49 GLU C C 49 174.427 176.460 -2.033 1
1 638 . 17 1 1 A 49 49 GLU CA C 49 60.298 54.942 5.356 1
1 639 . 17 1 1 A 49 49 GLU CB C 49 31.065 31.988 -0.923 1
1 641 . 17 1 1 A 49 49 GLU N N 49 121.867 118.533 3.334 1
1 642 . 17 1 1 A 50 50 SER H H 50 8.348 8.937 -0.589 1
1 643 . 17 1 1 A 50 50 SER HA H 50 4.172 4.318 -0.146 1
1 647 . 17 1 1 A 50 50 SER C C 50 176.027 175.078 0.949 1
1 648 . 17 1 1 A 50 50 SER CA C 50 62.548 60.982 1.566 1
1 649 . 17 1 1 A 50 50 SER CB C 50 64.840 62.888 1.952 1
1 650 . 17 1 1 A 50 50 SER N N 50 115.695 115.107 0.588 1
1 651 . 17 1 1 A 51 51 SER H H 51 7.980 8.190 -0.210 1
1 652 . 17 1 1 A 51 51 SER HA H 51 4.258 4.250 0.008 1
1 655 . 17 1 1 A 51 51 SER C C 51 174.427 175.751 -1.324 1
1 656 . 17 1 1 A 51 51 SER CA C 51 62.828 60.934 1.894 1
1 657 . 17 1 1 A 51 51 SER CB C 51 64.749 62.941 1.808 1
1 658 . 17 1 1 A 51 51 SER N N 51 117.126 115.139 1.987 1
1 659 . 17 1 1 A 52 52 ILE H H 52 7.365 7.847 -0.482 1
1 660 . 17 1 1 A 52 52 ILE HA H 52 4.038 4.174 -0.136 1
1 670 . 17 1 1 A 52 52 ILE C C 52 175.627 176.885 -1.258 1
1 671 . 17 1 1 A 52 52 ILE CA C 52 64.609 62.207 2.402 1
1 672 . 17 1 1 A 52 52 ILE CB C 52 39.272 38.090 1.182 1
1 676 . 17 1 1 A 52 52 ILE N N 52 117.484 118.186 -0.702 1
1 677 . 17 1 1 A 53 53 ASP H H 53 7.681 7.895 -0.214 1
1 678 . 17 1 1 A 53 53 ASP HA H 53 4.214 4.848 -0.634 1
1 681 . 17 1 1 A 53 53 ASP C C 53 174.027 177.417 -3.390 1
1 682 . 17 1 1 A 53 53 ASP CA C 53 59.799 55.751 4.048 1
1 683 . 17 1 1 A 53 53 ASP CB C 53 42.927 41.851 1.076 1
1 684 . 17 1 1 A 53 53 ASP N N 53 121.969 121.365 0.604 1
1 685 . 17 1 1 A 54 54 ASP H H 54 8.227 8.437 -0.210 1
1 686 . 17 1 1 A 54 54 ASP HA H 54 4.231 4.332 -0.101 1
1 689 . 17 1 1 A 54 54 ASP C C 54 172.927 178.705 -5.778 1
1 690 . 17 1 1 A 54 54 ASP CA C 54 59.507 57.845 1.662 1
1 691 . 17 1 1 A 54 54 ASP CB C 54 41.818 41.872 -0.054 1
1 692 . 17 1 1 A 54 54 ASP N N 54 118.083 119.993 -1.910 1
1 693 . 17 1 1 A 55 55 LEU H H 55 7.650 8.174 -0.524 1
1 694 . 17 1 1 A 55 55 LEU HA H 55 4.016 4.024 -0.008 1
1 704 . 17 1 1 A 55 55 LEU C C 55 171.927 179.337 -7.410 1
1 705 . 17 1 1 A 55 55 LEU CA C 55 59.965 58.052 1.913 1
1 706 . 17 1 1 A 55 55 LEU CB C 55 43.370 41.479 1.891 1
1 710 . 17 1 1 A 55 55 LEU N N 55 121.634 120.289 1.345 1
1 711 . 17 1 1 A 56 56 MET H H 56 8.429 8.249 0.180 1
1 712 . 17 1 1 A 56 56 MET HA H 56 4.325 4.408 -0.083 1
1 720 . 17 1 1 A 56 56 MET C C 56 172.527 178.866 -6.339 1
1 721 . 17 1 1 A 56 56 MET CA C 56 59.221 58.120 1.101 1
1 722 . 17 1 1 A 56 56 MET CB C 56 34.106 31.343 2.763 1
1 725 . 17 1 1 A 56 56 MET N N 56 118.696 116.678 2.018 1
1 726 . 17 1 1 A 57 57 LYS H H 57 8.249 7.979 0.270 1
1 727 . 17 1 1 A 57 57 LYS HA H 57 3.996 4.212 -0.216 1
1 736 . 17 1 1 A 57 57 LYS C C 57 172.527 179.828 -7.301 1
1 737 . 17 1 1 A 57 57 LYS CA C 57 60.872 58.838 2.034 1
1 738 . 17 1 1 A 57 57 LYS CB C 57 33.853 32.065 1.788 1
1 742 . 17 1 1 A 57 57 LYS N N 57 119.855 119.402 0.453 1
1 743 . 17 1 1 A 58 58 SER H H 58 7.729 8.119 -0.390 1
1 744 . 17 1 1 A 58 58 SER HA H 58 4.125 4.307 -0.182 1
1 747 . 17 1 1 A 58 58 SER C C 58 176.527 176.435 0.092 1
1 748 . 17 1 1 A 58 58 SER CA C 58 63.029 60.906 2.123 1
1 749 . 17 1 1 A 58 58 SER CB C 58 64.686 63.060 1.626 1
1 750 . 17 1 1 A 58 58 SER N N 58 115.984 115.066 0.918 1
1 751 . 17 1 1 A 59 59 LEU H H 59 7.288 7.800 -0.512 1
1 752 . 17 1 1 A 59 59 LEU HA H 59 4.058 4.113 -0.055 1
1 762 . 17 1 1 A 59 59 LEU C C 59 175.827 178.821 -2.994 1
1 763 . 17 1 1 A 59 59 LEU CA C 59 57.364 57.714 -0.350 1
1 764 . 17 1 1 A 59 59 LEU CB C 59 42.712 41.931 0.781 1
1 768 . 17 1 1 A 59 59 LEU N N 59 120.622 121.442 -0.820 1
1 769 . 17 1 1 A 60 60 ASP H H 60 7.431 8.231 -0.800 1
1 770 . 17 1 1 A 60 60 ASP HA H 60 4.386 4.471 -0.085 1
1 773 . 17 1 1 A 60 60 ASP C C 60 175.927 178.617 -2.690 1
1 774 . 17 1 1 A 60 60 ASP CA C 60 57.012 57.351 -0.339 1
1 775 . 17 1 1 A 60 60 ASP CB C 60 42.351 40.459 1.892 1
1 776 . 17 1 1 A 60 60 ASP N N 60 116.755 119.736 -2.981 1
1 777 . 17 1 1 A 61 61 LYS H H 61 7.243 7.814 -0.571 1
1 778 . 17 1 1 A 61 61 LYS HA H 61 4.223 4.110 0.113 1
1 787 . 17 1 1 A 61 61 LYS C C 61 176.527 177.371 -0.844 1
1 788 . 17 1 1 A 61 61 LYS CA C 61 57.287 58.226 -0.939 1
1 789 . 17 1 1 A 61 61 LYS CB C 61 34.683 32.301 2.382 1
1 793 . 17 1 1 A 61 61 LYS N N 61 119.913 120.441 -0.528 1
1 794 . 17 1 1 A 62 62 ASN H H 62 8.725 7.842 0.883 1
1 795 . 17 1 1 A 62 62 ASN HA H 62 4.462 4.904 -0.442 1
1 800 . 17 1 1 A 62 62 ASN C C 62 175.627 176.214 -0.587 1
1 801 . 17 1 1 A 62 62 ASN CA C 62 55.452 53.309 2.143 1
1 802 . 17 1 1 A 62 62 ASN CB C 62 39.336 40.904 -1.568 1
1 803 . 17 1 1 A 62 62 ASN N N 62 120.247 116.222 4.025 1
1 805 . 17 1 1 A 63 63 SER H H 63 8.061 8.162 -0.101 1
1 806 . 17 1 1 A 63 63 SER HA H 63 3.957 4.057 -0.100 1
1 809 . 17 1 1 A 63 63 SER C C 63 174.827 174.061 0.766 1
1 810 . 17 1 1 A 63 63 SER CA C 63 62.954 60.891 2.063 1
1 811 . 17 1 1 A 63 63 SER CB C 63 65.586 61.876 3.710 1
1 812 . 17 1 1 A 63 63 SER N N 63 113.249 113.319 -0.070 1
1 813 . 17 1 1 A 64 64 ASP H H 64 8.408 8.677 -0.269 1
1 814 . 17 1 1 A 64 64 ASP HA H 64 4.573 4.745 -0.172 1
1 817 . 17 1 1 A 64 64 ASP C C 64 176.027 174.543 1.484 1
1 818 . 17 1 1 A 64 64 ASP CA C 64 55.789 53.897 1.892 1
1 819 . 17 1 1 A 64 64 ASP CB C 64 42.365 41.411 0.954 1
1 820 . 17 1 1 A 64 64 ASP N N 64 117.587 118.628 -1.041 1
1 821 . 17 1 1 A 65 65 GLN H H 65 7.779 7.728 0.051 1
1 822 . 17 1 1 A 65 65 GLN HA H 65 4.026 4.836 -0.810 1
1 829 . 17 1 1 A 65 65 GLN C C 65 176.827 175.264 1.563 1
1 830 . 17 1 1 A 65 65 GLN CA C 65 58.241 54.498 3.743 1
1 831 . 17 1 1 A 65 65 GLN CB C 65 31.309 32.963 -1.654 1
1 833 . 17 1 1 A 65 65 GLN N N 65 121.059 116.616 4.443 1
1 835 . 17 1 1 A 66 66 GLU H H 66 8.365 8.458 -0.093 1
1 836 . 17 1 1 A 66 66 GLU HA H 66 4.320 4.629 -0.309 1
1 841 . 17 1 1 A 66 66 GLU C C 66 176.227 175.847 0.380 1
1 842 . 17 1 1 A 66 66 GLU CA C 66 58.238 57.050 1.188 1
1 843 . 17 1 1 A 66 66 GLU CB C 66 32.567 30.882 1.685 1
1 845 . 17 1 1 A 66 66 GLU N N 66 123.061 120.879 2.182 1
1 846 . 17 1 1 A 67 67 ILE H H 67 9.350 8.573 0.777 1
1 847 . 17 1 1 A 67 67 ILE HA H 67 4.543 4.868 -0.325 1
1 857 . 17 1 1 A 67 67 ILE C C 67 178.127 173.908 4.219 1
1 858 . 17 1 1 A 67 67 ILE CA C 67 61.173 60.018 1.155 1
1 859 . 17 1 1 A 67 67 ILE CB C 67 41.460 42.403 -0.943 1
1 863 . 17 1 1 A 67 67 ILE N N 67 121.809 120.708 1.101 1
1 864 . 17 1 1 A 68 68 ASP H H 68 8.140 8.747 -0.607 1
1 865 . 17 1 1 A 68 68 ASP HA H 68 5.408 4.905 0.503 1
1 868 . 17 1 1 A 68 68 ASP C C 68 176.127 177.235 -1.108 1
1 869 . 17 1 1 A 68 68 ASP CA C 68 53.471 53.994 -0.523 1
1 870 . 17 1 1 A 68 68 ASP CB C 68 43.898 43.202 0.696 1
1 871 . 17 1 1 A 68 68 ASP N N 68 122.626 126.321 -3.695 1
1 872 . 17 1 1 A 69 69 PHE H H 69 9.486 8.837 0.649 1
1 873 . 17 1 1 A 69 69 PHE HA H 69 3.397 3.859 -0.462 1
1 880 . 17 1 1 A 69 69 PHE C C 69 174.727 177.142 -2.415 1
1 881 . 17 1 1 A 69 69 PHE CA C 69 63.764 61.516 2.248 1
1 882 . 17 1 1 A 69 69 PHE CB C 69 42.009 39.142 2.867 1
1 883 . 17 1 1 A 69 69 PHE N N 69 118.584 127.804 -9.220 1
1 884 . 17 1 1 A 70 70 LYS H H 70 7.510 8.383 -0.873 1
1 885 . 17 1 1 A 70 70 LYS HA H 70 3.633 3.960 -0.327 1
1 894 . 17 1 1 A 70 70 LYS C C 70 173.627 179.595 -5.968 1
1 895 . 17 1 1 A 70 70 LYS CA C 70 61.940 59.079 2.861 1
1 896 . 17 1 1 A 70 70 LYS CB C 70 33.189 32.300 0.889 1
1 900 . 17 1 1 A 70 70 LYS N N 70 117.327 118.070 -0.743 1
1 901 . 17 1 1 A 71 71 GLU H H 71 8.151 7.832 0.319 1
1 902 . 17 1 1 A 71 71 GLU HA H 71 3.930 4.086 -0.156 1
1 907 . 17 1 1 A 71 71 GLU C C 71 173.127 178.622 -5.495 1
1 908 . 17 1 1 A 71 71 GLU CA C 71 61.000 59.259 1.741 1
1 909 . 17 1 1 A 71 71 GLU CB C 71 31.639 29.457 2.182 1
1 911 . 17 1 1 A 71 71 GLU N N 71 120.925 120.541 0.384 1
1 912 . 17 1 1 A 72 72 TYR H H 72 8.454 7.984 0.470 1
1 913 . 17 1 1 A 72 72 TYR HA H 72 4.047 4.225 -0.178 1
1 920 . 17 1 1 A 72 72 TYR C C 72 177.227 177.663 -0.436 1
1 921 . 17 1 1 A 72 72 TYR CA C 72 62.068 61.278 0.790 1
1 922 . 17 1 1 A 72 72 TYR CB C 72 39.522 38.796 0.726 1
1 923 . 17 1 1 A 72 72 TYR N N 72 123.271 123.073 0.198 1
1 924 . 17 1 1 A 73 73 SER H H 73 7.990 8.232 -0.242 1
1 925 . 17 1 1 A 73 73 SER HA H 73 3.245 3.903 -0.658 1
1 928 . 17 1 1 A 73 73 SER C C 73 174.327 176.380 -2.053 1
1 929 . 17 1 1 A 73 73 SER CA C 73 62.841 61.268 1.573 1
1 930 . 17 1 1 A 73 73 SER CB C 73 64.317 62.292 2.025 1
1 931 . 17 1 1 A 73 73 SER N N 73 115.432 114.316 1.116 1
1 932 . 17 1 1 A 74 74 VAL H H 74 8.112 8.038 0.074 1
1 933 . 17 1 1 A 74 74 VAL HA H 74 3.375 3.763 -0.388 1
1 941 . 17 1 1 A 74 74 VAL C C 74 174.427 178.185 -3.758 1
1 942 . 17 1 1 A 74 74 VAL CA C 74 68.677 65.610 3.067 1
1 943 . 17 1 1 A 74 74 VAL CB C 74 33.164 31.488 1.676 1
1 946 . 17 1 1 A 74 74 VAL N N 74 123.807 119.282 4.525 1
1 947 . 17 1 1 A 75 75 PHE H H 75 8.149 8.317 -0.168 1
1 948 . 17 1 1 A 75 75 PHE HA H 75 3.878 4.205 -0.327 1
1 955 . 17 1 1 A 75 75 PHE C C 75 174.627 177.083 -2.456 1
1 956 . 17 1 1 A 75 75 PHE CA C 75 64.444 61.396 3.048 1
1 957 . 17 1 1 A 75 75 PHE CB C 75 40.823 39.431 1.392 1
1 958 . 17 1 1 A 75 75 PHE N N 75 122.351 123.841 -1.490 1
1 959 . 17 1 1 A 76 76 LEU H H 76 8.141 8.526 -0.385 1
1 960 . 17 1 1 A 76 76 LEU HA H 76 3.648 3.889 -0.241 1
1 970 . 17 1 1 A 76 76 LEU C C 76 173.327 178.946 -5.619 1
1 971 . 17 1 1 A 76 76 LEU CA C 76 59.810 58.058 1.752 1
1 972 . 17 1 1 A 76 76 LEU CB C 76 42.994 41.803 1.191 1
1 976 . 17 1 1 A 76 76 LEU N N 76 116.801 119.831 -3.030 1
1 977 . 17 1 1 A 77 77 THR H H 77 8.005 8.069 -0.064 1
1 978 . 17 1 1 A 77 77 THR HA H 77 3.561 3.746 -0.185 1
1 984 . 17 1 1 A 77 77 THR C C 77 176.427 175.948 0.479 1
1 985 . 17 1 1 A 77 77 THR CA C 77 69.876 66.781 3.095 1
1 986 . 17 1 1 A 77 77 THR CB C 77 71.163 67.559 3.604 1
1 988 . 17 1 1 A 77 77 THR N N 77 116.415 115.683 0.732 1
1 989 . 17 1 1 A 78 78 MET H H 78 8.059 8.239 -0.180 1
1 990 . 17 1 1 A 78 78 MET HA H 78 3.771 4.101 -0.330 1
1 995 . 17 1 1 A 78 78 MET C C 78 172.927 178.146 -5.219 1
1 996 . 17 1 1 A 78 78 MET CA C 78 60.751 58.007 2.744 1
1 997 . 17 1 1 A 78 78 MET CB C 78 33.255 31.813 1.442 1
1 999 . 17 1 1 A 78 78 MET N N 78 120.960 119.680 1.280 1
1 1000 . 17 1 1 A 79 79 LEU H H 79 8.007 8.420 -0.413 1
1 1001 . 17 1 1 A 79 79 LEU HA H 79 3.646 3.850 -0.204 1
1 1011 . 17 1 1 A 79 79 LEU C C 79 174.527 177.928 -3.401 1
1 1012 . 17 1 1 A 79 79 LEU CA C 79 59.756 57.866 1.890 1
1 1013 . 17 1 1 A 79 79 LEU CB C 79 42.961 41.738 1.223 1
1 1017 . 17 1 1 A 79 79 LEU N N 79 120.772 119.651 1.121 1
1 1018 . 17 1 1 A 80 80 CYS H H 80 8.268 8.242 0.026 1
1 1019 . 17 1 1 A 80 80 CYS HA H 80 3.344 3.900 -0.556 1
1 1022 . 17 1 1 A 80 80 CYS C C 80 176.127 175.343 0.784 1
1 1023 . 17 1 1 A 80 80 CYS CA C 80 64.083 60.299 3.784 1
1 1024 . 17 1 1 A 80 80 CYS CB C 80 28.199 26.911 1.288 1
1 1025 . 17 1 1 A 80 80 CYS N N 80 118.257 116.744 1.513 1
1 1026 . 17 1 1 A 81 81 MET H H 81 7.600 7.685 -0.085 1
1 1027 . 17 1 1 A 81 81 MET HA H 81 3.242 4.665 -1.423 1
1 1035 . 17 1 1 A 81 81 MET C C 81 176.227 176.872 -0.645 1
1 1036 . 17 1 1 A 81 81 MET CA C 81 60.091 54.177 5.914 1
1 1037 . 17 1 1 A 81 81 MET CB C 81 34.090 33.522 0.568 1
1 1040 . 17 1 1 A 81 81 MET N N 81 114.515 119.865 -5.350 1
1 1041 . 17 1 1 A 82 82 ALA H H 82 7.299 7.790 -0.491 1
1 1042 . 17 1 1 A 82 82 ALA HA H 82 4.121 4.204 -0.083 1
1 1046 . 17 1 1 A 82 82 ALA C C 82 173.827 176.633 -2.806 1
1 1047 . 17 1 1 A 82 82 ALA CA C 82 54.930 52.726 2.204 1
1 1048 . 17 1 1 A 82 82 ALA CB C 82 20.641 19.365 1.276 1
1 1049 . 17 1 1 A 82 82 ALA N N 82 118.977 121.995 -3.018 1
1 1050 . 17 1 1 A 83 83 TYR H H 83 7.623 7.446 0.177 1
1 1051 . 17 1 1 A 83 83 TYR HA H 83 4.771 4.923 -0.152 1
1 1058 . 17 1 1 A 83 83 TYR CA C 83 59.333 56.719 2.614 1
1 1059 . 17 1 1 A 83 83 TYR CB C 83 41.599 40.293 1.306 1
1 1060 . 17 1 1 A 83 83 TYR N N 83 113.311 115.378 -2.067 1
1 1061 . 17 1 1 A 84 84 ASN HA H 84 4.534 5.031 -0.497 1
1 1064 . 17 1 1 A 84 84 ASN CA C 84 56.126 52.063 4.063 1
1 1065 . 17 1 1 A 84 84 ASN CB C 84 41.990 38.649 3.341 1
1 1066 . 17 1 1 A 85 85 ASP H H 85 8.681 8.220 0.461 1
1 1067 . 17 1 1 A 85 85 ASP HA H 85 4.086 4.113 -0.027 1
1 1070 . 17 1 1 A 85 85 ASP CA C 85 58.457 57.312 1.145 1
1 1071 . 17 1 1 A 85 85 ASP CB C 85 42.260 39.690 2.570 1
1 1072 . 17 1 1 A 85 85 ASP N N 85 126.079 121.731 4.348 1
1 1073 . 17 1 1 A 86 86 PHE H H 86 8.672 7.352 1.320 1
1 1074 . 17 1 1 A 86 86 PHE HA H 86 3.744 4.171 -0.427 1
1 1081 . 17 1 1 A 86 86 PHE C C 86 176.827 176.997 -0.170 1
1 1082 . 17 1 1 A 86 86 PHE CA C 86 62.903 60.955 1.948 1
1 1083 . 17 1 1 A 86 86 PHE CB C 86 41.596 38.186 3.410 1
1 1084 . 17 1 1 A 86 86 PHE N N 86 121.950 118.834 3.116 1
1 1085 . 17 1 1 A 87 87 PHE H H 87 7.225 7.406 -0.181 1
1 1086 . 17 1 1 A 87 87 PHE HA H 87 3.836 4.712 -0.876 1
1 1093 . 17 1 1 A 87 87 PHE C C 87 176.927 174.955 1.972 1
1 1094 . 17 1 1 A 87 87 PHE CA C 87 60.422 57.888 2.534 1
1 1095 . 17 1 1 A 87 87 PHE CB C 87 41.081 39.377 1.704 1
1 1096 . 17 1 1 A 87 87 PHE N N 87 110.928 115.686 -4.758 1
1 1097 . 17 1 1 A 88 88 LEU H H 88 7.130 7.609 -0.479 1
1 1098 . 17 1 1 A 88 88 LEU HA H 88 4.169 4.634 -0.465 1
1 1108 . 17 1 1 A 88 88 LEU C C 88 175.027 177.404 -2.377 1
1 1109 . 17 1 1 A 88 88 LEU CA C 88 56.962 53.510 3.452 1
1 1110 . 17 1 1 A 88 88 LEU CB C 88 44.199 43.795 0.404 1
1 1114 . 17 1 1 A 88 88 LEU N N 88 119.732 120.415 -0.683 1
1 1115 . 17 1 1 A 89 89 GLU H H 89 8.097 8.754 -0.657 1
1 1116 . 17 1 1 A 89 89 GLU HA H 89 4.087 4.231 -0.144 1
1 1121 . 17 1 1 A 89 89 GLU C C 89 176.427 176.365 0.062 1
1 1122 . 17 1 1 A 89 89 GLU CA C 89 58.216 58.560 -0.344 1
1 1123 . 17 1 1 A 89 89 GLU CB C 89 32.309 30.863 1.446 1
1 1125 . 17 1 1 A 89 89 GLU N N 89 121.626 121.427 0.199 1
1 1126 . 17 1 1 A 90 90 ASP H H 90 8.243 7.776 0.467 1
1 1127 . 17 1 1 A 90 90 ASP HA H 90 4.425 4.677 -0.252 1
1 1130 . 17 1 1 A 90 90 ASP C C 90 176.527 173.804 2.723 1
1 1131 . 17 1 1 A 90 90 ASP CA C 90 55.815 53.378 2.437 1
1 1132 . 17 1 1 A 90 90 ASP CB C 90 42.874 40.631 2.243 1
1 1133 . 17 1 1 A 90 90 ASP N N 90 121.280 115.893 5.387 1
1 1134 . 17 1 1 A 91 91 ASN H H 91 8.267 8.498 -0.231 1
1 1135 . 17 1 1 A 91 91 ASN HA H 91 4.563 4.625 -0.062 1
1 1140 . 17 1 1 A 91 91 ASN C C 91 178.127 174.371 3.756 1
1 1141 . 17 1 1 A 91 91 ASN CA C 91 54.928 52.251 2.677 1
1 1142 . 17 1 1 A 91 91 ASN CB C 91 40.529 37.144 3.385 1
1 1143 . 17 1 1 A 91 91 ASN N N 91 119.209 118.189 1.020 1
1 14 . 18 1 1 A 2 2 GLU H H 2 8.722 8.501 0.221 1
1 15 . 18 1 1 A 2 2 GLU HA H 2 4.557 4.557 0.000 1
1 20 . 18 1 1 A 2 2 GLU C C 2 175.827 176.450 -0.623 1
1 21 . 18 1 1 A 2 2 GLU CA C 2 58.063 57.027 1.036 1
1 22 . 18 1 1 A 2 2 GLU CB C 2 33.147 30.436 2.711 1
1 24 . 18 1 1 A 2 2 GLU N N 2 124.627 122.160 2.467 1
1 25 . 18 1 1 A 3 3 THR H H 3 8.670 8.545 0.125 1
1 26 . 18 1 1 A 3 3 THR HA H 3 4.616 4.999 -0.383 1
1 31 . 18 1 1 A 3 3 THR CA C 3 61.734 58.324 3.410 1
1 32 . 18 1 1 A 3 3 THR CB C 3 70.590 69.751 0.839 1
1 34 . 18 1 1 A 3 3 THR N N 3 116.274 116.719 -0.445 1
1 35 . 18 1 1 A 4 4 PRO HA H 4 4.161 4.517 -0.356 1
1 42 . 18 1 1 A 4 4 PRO C C 4 172.227 177.814 -5.587 1
1 43 . 18 1 1 A 4 4 PRO CA C 4 68.211 64.432 3.779 1
1 44 . 18 1 1 A 4 4 PRO CB C 4 33.796 32.045 1.751 1
1 47 . 18 1 1 A 5 5 LEU H H 5 9.207 7.628 1.579 1
1 48 . 18 1 1 A 5 5 LEU HA H 5 4.038 4.045 -0.007 1
1 58 . 18 1 1 A 5 5 LEU C C 5 174.327 178.381 -4.054 1
1 59 . 18 1 1 A 5 5 LEU CA C 5 59.483 57.296 2.187 1
1 60 . 18 1 1 A 5 5 LEU CB C 5 43.877 42.114 1.763 1
1 64 . 18 1 1 A 5 5 LEU N N 5 119.157 118.114 1.043 1
1 65 . 18 1 1 A 6 6 GLU H H 6 7.661 8.719 -1.058 1
1 66 . 18 1 1 A 6 6 GLU HA H 6 3.755 4.060 -0.305 1
1 71 . 18 1 1 A 6 6 GLU C C 6 172.727 177.996 -5.269 1
1 72 . 18 1 1 A 6 6 GLU CA C 6 61.953 58.766 3.187 1
1 73 . 18 1 1 A 6 6 GLU CB C 6 31.354 28.671 2.683 1
1 75 . 18 1 1 A 6 6 GLU N N 6 119.837 117.341 2.496 1
1 76 . 18 1 1 A 7 7 LYS H H 7 8.430 8.008 0.422 1
1 77 . 18 1 1 A 7 7 LYS HA H 7 3.921 4.054 -0.133 1
1 86 . 18 1 1 A 7 7 LYS C C 7 172.927 179.172 -6.245 1
1 87 . 18 1 1 A 7 7 LYS CA C 7 61.312 59.326 1.986 1
1 88 . 18 1 1 A 7 7 LYS CB C 7 33.861 32.065 1.796 1
1 92 . 18 1 1 A 7 7 LYS N N 7 119.023 119.140 -0.117 1
1 93 . 18 1 1 A 8 8 ALA H H 8 8.079 8.145 -0.066 1
1 94 . 18 1 1 A 8 8 ALA HA H 8 4.085 4.347 -0.262 1
1 98 . 18 1 1 A 8 8 ALA C C 8 173.027 180.683 -7.656 1
1 99 . 18 1 1 A 8 8 ALA CA C 8 56.967 55.063 1.904 1
1 100 . 18 1 1 A 8 8 ALA CB C 8 20.140 18.043 2.097 1
1 101 . 18 1 1 A 8 8 ALA N N 8 123.824 122.281 1.543 1
1 102 . 18 1 1 A 9 9 LEU H H 9 8.032 8.027 0.005 1
1 103 . 18 1 1 A 9 9 LEU HA H 9 4.061 4.056 0.005 1
1 113 . 18 1 1 A 9 9 LEU C C 9 172.527 179.370 -6.843 1
1 114 . 18 1 1 A 9 9 LEU CA C 9 60.071 58.171 1.900 1
1 115 . 18 1 1 A 9 9 LEU CB C 9 42.714 41.552 1.162 1
1 119 . 18 1 1 A 9 9 LEU N N 9 118.643 118.139 0.504 1
1 120 . 18 1 1 A 10 10 THR H H 10 8.686 8.318 0.368 1
1 121 . 18 1 1 A 10 10 THR HA H 10 3.798 3.955 -0.157 1
1 126 . 18 1 1 A 10 10 THR C C 10 175.127 177.127 -2.000 1
1 127 . 18 1 1 A 10 10 THR CA C 10 69.282 66.583 2.699 1
1 128 . 18 1 1 A 10 10 THR CB C 10 70.132 68.409 1.723 1
1 130 . 18 1 1 A 10 10 THR N N 10 117.087 115.972 1.115 1
1 131 . 18 1 1 A 11 11 THR H H 11 8.628 8.377 0.251 1
1 132 . 18 1 1 A 11 11 THR HA H 11 3.961 4.114 -0.153 1
1 137 . 18 1 1 A 11 11 THR C C 11 174.427 177.265 -2.838 1
1 138 . 18 1 1 A 11 11 THR CA C 11 68.408 65.843 2.565 1
1 139 . 18 1 1 A 11 11 THR CB C 11 69.107 68.384 0.723 1
1 141 . 18 1 1 A 11 11 THR N N 11 120.770 112.663 8.107 1
1 142 . 18 1 1 A 12 12 MET H H 12 8.390 8.256 0.134 1
1 143 . 18 1 1 A 12 12 MET HA H 12 3.956 4.382 -0.426 1
1 151 . 18 1 1 A 12 12 MET C C 12 175.127 178.588 -3.461 1
1 152 . 18 1 1 A 12 12 MET CA C 12 62.750 58.337 4.413 1
1 153 . 18 1 1 A 12 12 MET CB C 12 34.952 32.810 2.142 1
1 156 . 18 1 1 A 12 12 MET N N 12 124.388 121.027 3.361 1
1 157 . 18 1 1 A 13 13 VAL H H 13 8.104 8.588 -0.484 1
1 158 . 18 1 1 A 13 13 VAL HA H 13 3.576 3.874 -0.298 1
1 166 . 18 1 1 A 13 13 VAL C C 13 175.327 178.463 -3.136 1
1 167 . 18 1 1 A 13 13 VAL CA C 13 68.958 65.735 3.223 1
1 168 . 18 1 1 A 13 13 VAL CB C 13 33.703 31.383 2.320 1
1 171 . 18 1 1 A 13 13 VAL N N 13 121.753 117.189 4.564 1
1 172 . 18 1 1 A 14 14 THR H H 14 9.186 8.253 0.933 1
1 173 . 18 1 1 A 14 14 THR HA H 14 3.774 4.047 -0.273 1
1 178 . 18 1 1 A 14 14 THR C C 14 173.927 176.976 -3.049 1
1 179 . 18 1 1 A 14 14 THR CA C 14 67.955 66.083 1.872 1
1 180 . 18 1 1 A 14 14 THR CB C 14 70.504 68.409 2.095 1
1 182 . 18 1 1 A 14 14 THR N N 14 114.911 116.679 -1.768 1
1 183 . 18 1 1 A 15 15 THR H H 15 8.453 8.306 0.147 1
1 184 . 18 1 1 A 15 15 THR HA H 15 3.859 4.195 -0.336 1
1 190 . 18 1 1 A 15 15 THR C C 15 178.127 176.748 1.379 1
1 191 . 18 1 1 A 15 15 THR CA C 15 69.609 66.026 3.583 1
1 192 . 18 1 1 A 15 15 THR CB C 15 70.511 68.273 2.238 1
1 194 . 18 1 1 A 15 15 THR N N 15 118.791 113.596 5.195 1
1 195 . 18 1 1 A 16 16 PHE H H 16 7.207 8.530 -1.323 1
1 196 . 18 1 1 A 16 16 PHE HA H 16 3.572 4.170 -0.598 1
1 203 . 18 1 1 A 16 16 PHE C C 16 178.527 177.379 1.148 1
1 204 . 18 1 1 A 16 16 PHE CA C 16 64.090 61.722 2.368 1
1 205 . 18 1 1 A 16 16 PHE CB C 16 41.091 39.015 2.076 1
1 206 . 18 1 1 A 16 16 PHE N N 16 121.331 124.098 -2.767 1
1 207 . 18 1 1 A 17 17 HIS H H 17 8.393 8.604 -0.211 1
1 208 . 18 1 1 A 17 17 HIS HA H 17 5.329 4.531 0.798 1
1 211 . 18 1 1 A 17 17 HIS C C 17 174.627 177.128 -2.501 1
1 212 . 18 1 1 A 17 17 HIS CA C 17 56.667 60.204 -3.537 1
1 213 . 18 1 1 A 17 17 HIS CB C 17 32.397 29.747 2.650 1
1 214 . 18 1 1 A 17 17 HIS N N 17 117.858 119.124 -1.266 1
1 215 . 18 1 1 A 18 18 LYS H H 18 7.767 8.237 -0.470 1
1 216 . 18 1 1 A 18 18 LYS HA H 18 3.553 3.651 -0.098 1
1 225 . 18 1 1 A 18 18 LYS C C 18 175.527 176.907 -1.380 1
1 226 . 18 1 1 A 18 18 LYS CA C 18 61.301 58.626 2.675 1
1 227 . 18 1 1 A 18 18 LYS CB C 18 33.523 31.826 1.697 1
1 231 . 18 1 1 A 18 18 LYS N N 18 120.691 117.758 2.933 1
1 232 . 18 1 1 A 19 19 TYR H H 19 7.079 7.727 -0.648 1
1 233 . 18 1 1 A 19 19 TYR HA H 19 3.993 4.535 -0.542 1
1 240 . 18 1 1 A 19 19 TYR C C 19 174.227 177.154 -2.927 1
1 241 . 18 1 1 A 19 19 TYR CA C 19 61.287 58.673 2.614 1
1 242 . 18 1 1 A 19 19 TYR CB C 19 42.066 40.079 1.987 1
1 243 . 18 1 1 A 19 19 TYR N N 19 114.592 117.267 -2.675 1
1 244 . 18 1 1 A 20 20 SER H H 20 9.708 8.215 1.493 1
1 245 . 18 1 1 A 20 20 SER HA H 20 4.117 4.161 -0.044 1
1 248 . 18 1 1 A 20 20 SER C C 20 175.227 177.216 -1.989 1
1 249 . 18 1 1 A 20 20 SER CA C 20 60.135 61.006 -0.871 1
1 250 . 18 1 1 A 20 20 SER CB C 20 63.159 62.983 0.176 1
1 251 . 18 1 1 A 20 20 SER N N 20 121.764 114.952 6.812 1
1 252 . 18 1 1 A 21 21 GLY H H 21 8.146 8.304 -0.158 1
1 253 . 18 1 1 A 21 21 GLY HA2 H 21 3.956 3.978 -0.022 1
1 254 . 18 1 1 A 21 21 GLY HA3 H 21 3.571 4.198 -0.627 1
1 255 . 18 1 1 A 21 21 GLY C C 21 177.927 175.139 2.788 1
1 256 . 18 1 1 A 21 21 GLY CA C 21 46.646 46.185 0.461 1
1 257 . 18 1 1 A 21 21 GLY N N 21 106.982 110.109 -3.127 1
1 258 . 18 1 1 A 22 22 ARG H H 22 7.007 7.698 -0.691 1
1 259 . 18 1 1 A 22 22 ARG HA H 22 3.815 4.029 -0.214 1
1 266 . 18 1 1 A 22 22 ARG C C 22 175.927 177.058 -1.131 1
1 267 . 18 1 1 A 22 22 ARG CA C 22 60.766 58.452 2.314 1
1 268 . 18 1 1 A 22 22 ARG CB C 22 32.302 30.374 1.928 1
1 271 . 18 1 1 A 22 22 ARG N N 22 118.055 120.587 -2.532 1
1 272 . 18 1 1 A 23 23 GLU H H 23 7.551 8.078 -0.527 1
1 273 . 18 1 1 A 23 23 GLU HA H 23 4.436 4.637 -0.201 1
1 278 . 18 1 1 A 23 23 GLU C C 23 177.727 176.692 1.035 1
1 279 . 18 1 1 A 23 23 GLU CA C 23 56.853 56.222 0.631 1
1 280 . 18 1 1 A 23 23 GLU CB C 23 33.988 31.057 2.931 1
1 282 . 18 1 1 A 23 23 GLU N N 23 114.631 116.151 -1.520 1
1 283 . 18 1 1 A 24 24 GLY H H 24 8.376 8.282 0.094 1
1 284 . 18 1 1 A 24 24 GLY HA2 H 24 3.771 3.924 -0.153 1
1 285 . 18 1 1 A 24 24 GLY HA3 H 24 3.567 4.137 -0.570 1
1 286 . 18 1 1 A 24 24 GLY C C 24 177.127 173.850 3.277 1
1 287 . 18 1 1 A 24 24 GLY CA C 24 47.718 45.344 2.374 1
1 288 . 18 1 1 A 24 24 GLY N N 24 107.626 110.431 -2.805 1
1 289 . 18 1 1 A 25 25 SER H H 25 8.443 7.629 0.814 1
1 290 . 18 1 1 A 25 25 SER HA H 25 4.314 4.737 -0.423 1
1 293 . 18 1 1 A 25 25 SER C C 25 175.527 173.064 2.463 1
1 294 . 18 1 1 A 25 25 SER CA C 25 59.146 57.114 2.032 1
1 295 . 18 1 1 A 25 25 SER CB C 25 65.573 64.545 1.028 1
1 296 . 18 1 1 A 25 25 SER N N 25 119.000 113.776 5.224 1
1 297 . 18 1 1 A 26 26 LYS H H 26 8.821 8.653 0.168 1
1 298 . 18 1 1 A 26 26 LYS HA H 26 4.307 4.628 -0.321 1
1 307 . 18 1 1 A 26 26 LYS C C 26 176.027 177.365 -1.338 1
1 308 . 18 1 1 A 26 26 LYS CA C 26 59.180 56.471 2.709 1
1 309 . 18 1 1 A 26 26 LYS CB C 26 33.211 33.761 -0.550 1
1 313 . 18 1 1 A 26 26 LYS N N 26 126.125 125.154 0.971 1
1 314 . 18 1 1 A 27 27 LEU H H 27 8.237 7.488 0.749 1
1 315 . 18 1 1 A 27 27 LEU HA H 27 4.534 4.488 0.046 1
1 325 . 18 1 1 A 27 27 LEU C C 27 175.627 176.569 -0.942 1
1 326 . 18 1 1 A 27 27 LEU CA C 27 56.384 54.601 1.783 1
1 327 . 18 1 1 A 27 27 LEU CB C 27 44.218 43.499 0.719 1
1 331 . 18 1 1 A 27 27 LEU N N 27 117.484 116.905 0.579 1
1 332 . 18 1 1 A 28 28 THR H H 28 7.386 7.740 -0.354 1
1 333 . 18 1 1 A 28 28 THR HA H 28 5.517 5.628 -0.111 1
1 338 . 18 1 1 A 28 28 THR C C 28 180.227 173.622 6.605 1
1 339 . 18 1 1 A 28 28 THR CA C 28 61.014 59.999 1.015 1
1 340 . 18 1 1 A 28 28 THR CB C 28 75.348 72.147 3.201 1
1 342 . 18 1 1 A 28 28 THR N N 28 106.230 109.636 -3.406 1
1 343 . 18 1 1 A 29 29 LEU H H 29 8.721 8.864 -0.143 1
1 344 . 18 1 1 A 29 29 LEU HA H 29 4.713 4.854 -0.141 1
1 354 . 18 1 1 A 29 29 LEU C C 29 176.927 174.752 2.175 1
1 355 . 18 1 1 A 29 29 LEU CA C 29 55.163 53.819 1.344 1
1 356 . 18 1 1 A 29 29 LEU CB C 29 46.059 44.537 1.522 1
1 360 . 18 1 1 A 29 29 LEU N N 29 116.728 118.847 -2.119 1
1 361 . 18 1 1 A 30 30 SER H H 30 8.866 8.527 0.339 1
1 362 . 18 1 1 A 30 30 SER HA H 30 4.942 4.638 0.304 1
1 365 . 18 1 1 A 30 30 SER C C 30 176.327 175.556 0.771 1
1 366 . 18 1 1 A 30 30 SER CA C 30 59.032 58.372 0.660 1
1 367 . 18 1 1 A 30 30 SER CB C 30 67.150 63.731 3.419 1
1 368 . 18 1 1 A 30 30 SER N N 30 117.110 116.006 1.104 1
1 369 . 18 1 1 A 31 31 ARG H H 31 8.393 9.011 -0.618 1
1 370 . 18 1 1 A 31 31 ARG HA H 31 3.695 3.894 -0.199 1
1 377 . 18 1 1 A 31 31 ARG C C 31 174.127 177.544 -3.417 1
1 378 . 18 1 1 A 31 31 ARG CA C 31 62.776 59.800 2.976 1
1 379 . 18 1 1 A 31 31 ARG CB C 31 31.601 29.906 1.695 1
1 382 . 18 1 1 A 31 31 ARG N N 31 121.109 123.139 -2.030 1
1 383 . 18 1 1 A 32 32 LYS H H 32 8.264 7.826 0.438 1
1 384 . 18 1 1 A 32 32 LYS HA H 32 3.912 3.951 -0.039 1
1 393 . 18 1 1 A 32 32 LYS C C 32 172.827 179.258 -6.431 1
1 394 . 18 1 1 A 32 32 LYS CA C 32 61.591 59.114 2.477 1
1 395 . 18 1 1 A 32 32 LYS CB C 32 34.116 31.920 2.196 1
1 399 . 18 1 1 A 32 32 LYS N N 32 118.536 118.854 -0.318 1
1 400 . 18 1 1 A 33 33 GLU H H 33 7.790 7.757 0.033 1
1 401 . 18 1 1 A 33 33 GLU HA H 33 4.049 4.004 0.045 1
1 406 . 18 1 1 A 33 33 GLU C C 33 174.327 179.059 -4.732 1
1 407 . 18 1 1 A 33 33 GLU CA C 33 60.634 58.912 1.722 1
1 408 . 18 1 1 A 33 33 GLU CB C 33 31.617 29.688 1.929 1
1 410 . 18 1 1 A 33 33 GLU N N 33 121.557 119.337 2.220 1
1 411 . 18 1 1 A 34 34 LEU H H 34 8.388 7.597 0.791 1
1 412 . 18 1 1 A 34 34 LEU HA H 34 3.844 3.854 -0.010 1
1 422 . 18 1 1 A 34 34 LEU C C 34 174.927 178.266 -3.339 1
1 423 . 18 1 1 A 34 34 LEU CA C 34 59.173 57.699 1.474 1
1 424 . 18 1 1 A 34 34 LEU CB C 34 42.053 41.600 0.453 1
1 428 . 18 1 1 A 34 34 LEU N N 34 120.999 121.141 -0.142 1
1 429 . 18 1 1 A 35 35 LYS H H 35 7.817 7.885 -0.068 1
1 430 . 18 1 1 A 35 35 LYS HA H 35 3.478 3.817 -0.339 1
1 439 . 18 1 1 A 35 35 LYS C C 35 174.627 178.112 -3.485 1
1 440 . 18 1 1 A 35 35 LYS CA C 35 62.312 59.242 3.070 1
1 441 . 18 1 1 A 35 35 LYS CB C 35 33.814 32.170 1.644 1
1 445 . 18 1 1 A 35 35 LYS N N 35 118.738 118.631 0.107 1
1 446 . 18 1 1 A 36 36 GLU H H 36 7.208 7.480 -0.272 1
1 447 . 18 1 1 A 36 36 GLU HA H 36 3.801 4.020 -0.219 1
1 452 . 18 1 1 A 36 36 GLU C C 36 175.227 178.324 -3.097 1
1 453 . 18 1 1 A 36 36 GLU CA C 36 61.015 58.683 2.332 1
1 454 . 18 1 1 A 36 36 GLU CB C 36 30.770 29.358 1.412 1
1 456 . 18 1 1 A 36 36 GLU N N 36 118.771 118.624 0.147 1
1 457 . 18 1 1 A 37 37 LEU H H 37 8.038 7.926 0.112 1
1 458 . 18 1 1 A 37 37 LEU HA H 37 3.178 3.234 -0.056 1
1 468 . 18 1 1 A 37 37 LEU C C 37 172.927 178.222 -5.295 1
1 469 . 18 1 1 A 37 37 LEU CA C 37 60.915 57.769 3.146 1
1 470 . 18 1 1 A 37 37 LEU CB C 37 43.352 41.642 1.710 1
1 474 . 18 1 1 A 37 37 LEU N N 37 121.767 120.607 1.160 1
1 475 . 18 1 1 A 38 38 ILE H H 38 8.224 7.895 0.329 1
1 476 . 18 1 1 A 38 38 ILE HA H 38 3.234 3.783 -0.549 1
1 486 . 18 1 1 A 38 38 ILE C C 38 174.727 176.973 -2.246 1
1 487 . 18 1 1 A 38 38 ILE CA C 38 66.464 64.299 2.165 1
1 488 . 18 1 1 A 38 38 ILE CB C 38 38.799 37.823 0.976 1
1 492 . 18 1 1 A 38 38 ILE N N 38 119.417 119.657 -0.240 1
1 493 . 18 1 1 A 39 39 LYS H H 39 7.700 7.784 -0.084 1
1 494 . 18 1 1 A 39 39 LYS HA H 39 3.894 4.383 -0.489 1
1 503 . 18 1 1 A 39 39 LYS C C 39 173.727 176.996 -3.269 1
1 504 . 18 1 1 A 39 39 LYS CA C 39 61.015 56.891 4.124 1
1 505 . 18 1 1 A 39 39 LYS CB C 39 34.100 32.387 1.713 1
1 509 . 18 1 1 A 39 39 LYS N N 39 117.277 119.094 -1.817 1
1 510 . 18 1 1 A 40 40 LYS H H 40 8.170 7.749 0.421 1
1 511 . 18 1 1 A 40 40 LYS HA H 40 4.226 4.409 -0.183 1
1 520 . 18 1 1 A 40 40 LYS C C 40 173.427 178.292 -4.865 1
1 521 . 18 1 1 A 40 40 LYS CA C 40 59.251 57.240 2.011 1
1 522 . 18 1 1 A 40 40 LYS CB C 40 35.528 34.320 1.208 1
1 526 . 18 1 1 A 40 40 LYS N N 40 115.146 117.301 -2.155 1
1 527 . 18 1 1 A 41 41 GLU H H 41 8.778 8.404 0.374 1
1 528 . 18 1 1 A 41 41 GLU HA H 41 4.629 4.476 0.153 1
1 533 . 18 1 1 A 41 41 GLU C C 41 175.527 175.931 -0.404 1
1 534 . 18 1 1 A 41 41 GLU CA C 41 57.177 56.723 0.454 1
1 535 . 18 1 1 A 41 41 GLU CB C 41 31.656 30.785 0.871 1
1 537 . 18 1 1 A 41 41 GLU N N 41 113.604 116.530 -2.926 1
1 538 . 18 1 1 A 42 42 LEU H H 42 7.610 7.660 -0.050 1
1 539 . 18 1 1 A 42 42 LEU HA H 42 4.475 4.890 -0.415 1
1 549 . 18 1 1 A 42 42 LEU C C 42 177.227 174.754 2.473 1
1 550 . 18 1 1 A 42 42 LEU CA C 42 56.047 53.469 2.578 1
1 551 . 18 1 1 A 42 42 LEU CB C 42 45.748 45.726 0.022 1
1 555 . 18 1 1 A 42 42 LEU N N 42 118.997 118.900 0.097 1
1 556 . 18 1 1 A 43 43 CYS H H 43 8.501 8.568 -0.067 1
1 557 . 18 1 1 A 43 43 CYS HA H 43 4.397 4.912 -0.515 1
1 560 . 18 1 1 A 43 43 CYS C C 43 177.327 173.118 4.209 1
1 561 . 18 1 1 A 43 43 CYS CA C 43 60.023 58.355 1.668 1
1 562 . 18 1 1 A 43 43 CYS CB C 43 27.915 31.585 -3.670 1
1 563 . 18 1 1 A 43 43 CYS N N 43 119.622 119.012 0.610 1
1 564 . 18 1 1 A 44 44 LEU H H 44 8.200 8.979 -0.779 1
1 565 . 18 1 1 A 44 44 LEU HA H 44 3.979 4.483 -0.504 1
1 575 . 18 1 1 A 44 44 LEU C C 44 173.927 177.230 -3.303 1
1 576 . 18 1 1 A 44 44 LEU CA C 44 57.244 55.683 1.561 1
1 577 . 18 1 1 A 44 44 LEU CB C 44 43.622 44.859 -1.237 1
1 581 . 18 1 1 A 44 44 LEU N N 44 121.955 124.818 -2.863 1
1 582 . 18 1 1 A 45 45 GLY H H 45 8.244 8.138 0.106 1
1 583 . 18 1 1 A 45 45 GLY HA2 H 45 3.849 3.908 -0.059 1
1 584 . 18 1 1 A 45 45 GLY HA3 H 45 3.789 4.149 -0.360 1
1 585 . 18 1 1 A 45 45 GLY C C 45 178.027 174.630 3.397 1
1 586 . 18 1 1 A 45 45 GLY CA C 45 47.023 47.129 -0.106 1
1 587 . 18 1 1 A 45 45 GLY N N 45 107.702 106.749 0.953 1
1 588 . 18 1 1 A 46 46 GLU H H 46 8.286 8.103 0.183 1
1 589 . 18 1 1 A 46 46 GLU HA H 46 4.039 4.515 -0.476 1
1 594 . 18 1 1 A 46 46 GLU C C 46 175.127 177.043 -1.916 1
1 595 . 18 1 1 A 46 46 GLU CA C 46 59.176 56.771 2.405 1
1 596 . 18 1 1 A 46 46 GLU CB C 46 31.361 31.761 -0.400 1
1 598 . 18 1 1 A 46 46 GLU N N 46 119.602 119.782 -0.180 1
1 599 . 18 1 1 A 47 47 MET H H 47 8.048 8.260 -0.212 1
1 600 . 18 1 1 A 47 47 MET HA H 47 4.229 4.572 -0.343 1
1 608 . 18 1 1 A 47 47 MET C C 47 175.727 175.940 -0.213 1
1 609 . 18 1 1 A 47 47 MET CA C 47 58.183 57.317 0.866 1
1 610 . 18 1 1 A 47 47 MET CB C 47 34.087 33.947 0.140 1
1 613 . 18 1 1 A 47 47 MET N N 47 119.617 117.807 1.810 1
1 614 . 18 1 1 A 48 48 LYS H H 48 8.221 7.938 0.283 1
1 615 . 18 1 1 A 48 48 LYS HA H 48 4.217 4.728 -0.511 1
1 624 . 18 1 1 A 48 48 LYS C C 48 174.927 175.915 -0.988 1
1 625 . 18 1 1 A 48 48 LYS CA C 48 58.304 54.562 3.742 1
1 626 . 18 1 1 A 48 48 LYS CB C 48 34.548 34.252 0.296 1
1 630 . 18 1 1 A 48 48 LYS N N 48 120.987 117.263 3.724 1
1 631 . 18 1 1 A 49 49 GLU H H 49 8.346 8.680 -0.334 1
1 632 . 18 1 1 A 49 49 GLU HA H 49 3.922 4.340 -0.418 1
1 637 . 18 1 1 A 49 49 GLU C C 49 174.427 175.369 -0.942 1
1 638 . 18 1 1 A 49 49 GLU CA C 49 60.298 56.774 3.524 1
1 639 . 18 1 1 A 49 49 GLU CB C 49 31.065 29.949 1.116 1
1 641 . 18 1 1 A 49 49 GLU N N 49 121.867 122.864 -0.997 1
1 642 . 18 1 1 A 50 50 SER H H 50 8.348 8.387 -0.039 1
1 643 . 18 1 1 A 50 50 SER HA H 50 4.172 4.450 -0.278 1
1 647 . 18 1 1 A 50 50 SER C C 50 176.027 174.863 1.164 1
1 648 . 18 1 1 A 50 50 SER CA C 50 62.548 57.754 4.794 1
1 649 . 18 1 1 A 50 50 SER CB C 50 64.840 64.354 0.486 1
1 650 . 18 1 1 A 50 50 SER N N 50 115.695 117.549 -1.854 1
1 651 . 18 1 1 A 51 51 SER H H 51 7.980 8.881 -0.901 1
1 652 . 18 1 1 A 51 51 SER HA H 51 4.258 4.479 -0.221 1
1 655 . 18 1 1 A 51 51 SER C C 51 174.427 174.462 -0.035 1
1 656 . 18 1 1 A 51 51 SER CA C 51 62.828 60.088 2.740 1
1 657 . 18 1 1 A 51 51 SER CB C 51 64.749 61.635 3.114 1
1 658 . 18 1 1 A 51 51 SER N N 51 117.126 119.129 -2.003 1
1 659 . 18 1 1 A 52 52 ILE H H 52 7.365 8.269 -0.904 1
1 660 . 18 1 1 A 52 52 ILE HA H 52 4.038 3.949 0.089 1
1 670 . 18 1 1 A 52 52 ILE C C 52 175.627 176.889 -1.262 1
1 671 . 18 1 1 A 52 52 ILE CA C 52 64.609 64.185 0.424 1
1 672 . 18 1 1 A 52 52 ILE CB C 52 39.272 37.929 1.343 1
1 676 . 18 1 1 A 52 52 ILE N N 52 117.484 118.961 -1.477 1
1 677 . 18 1 1 A 53 53 ASP H H 53 7.681 7.896 -0.215 1
1 678 . 18 1 1 A 53 53 ASP HA H 53 4.214 4.686 -0.472 1
1 681 . 18 1 1 A 53 53 ASP C C 53 174.027 176.960 -2.933 1
1 682 . 18 1 1 A 53 53 ASP CA C 53 59.799 55.027 4.772 1
1 683 . 18 1 1 A 53 53 ASP CB C 53 42.927 41.440 1.487 1
1 684 . 18 1 1 A 53 53 ASP N N 53 121.969 121.996 -0.027 1
1 685 . 18 1 1 A 54 54 ASP H H 54 8.227 8.079 0.148 1
1 686 . 18 1 1 A 54 54 ASP HA H 54 4.231 4.395 -0.164 1
1 689 . 18 1 1 A 54 54 ASP C C 54 172.927 178.923 -5.996 1
1 690 . 18 1 1 A 54 54 ASP CA C 54 59.507 57.809 1.698 1
1 691 . 18 1 1 A 54 54 ASP CB C 54 41.818 41.262 0.556 1
1 692 . 18 1 1 A 54 54 ASP N N 54 118.083 120.367 -2.284 1
1 693 . 18 1 1 A 55 55 LEU H H 55 7.650 8.211 -0.561 1
1 694 . 18 1 1 A 55 55 LEU HA H 55 4.016 4.121 -0.105 1
1 704 . 18 1 1 A 55 55 LEU C C 55 171.927 179.307 -7.380 1
1 705 . 18 1 1 A 55 55 LEU CA C 55 59.965 58.062 1.903 1
1 706 . 18 1 1 A 55 55 LEU CB C 55 43.370 41.327 2.043 1
1 710 . 18 1 1 A 55 55 LEU N N 55 121.634 121.408 0.226 1
1 711 . 18 1 1 A 56 56 MET H H 56 8.429 8.252 0.177 1
1 712 . 18 1 1 A 56 56 MET HA H 56 4.325 4.081 0.244 1
1 720 . 18 1 1 A 56 56 MET C C 56 172.527 178.999 -6.472 1
1 721 . 18 1 1 A 56 56 MET CA C 56 59.221 59.673 -0.452 1
1 722 . 18 1 1 A 56 56 MET CB C 56 34.106 32.917 1.189 1
1 725 . 18 1 1 A 56 56 MET N N 56 118.696 117.885 0.811 1
1 726 . 18 1 1 A 57 57 LYS H H 57 8.249 8.291 -0.042 1
1 727 . 18 1 1 A 57 57 LYS HA H 57 3.996 4.228 -0.232 1
1 736 . 18 1 1 A 57 57 LYS C C 57 172.527 179.336 -6.809 1
1 737 . 18 1 1 A 57 57 LYS CA C 57 60.872 58.918 1.954 1
1 738 . 18 1 1 A 57 57 LYS CB C 57 33.853 32.070 1.783 1
1 742 . 18 1 1 A 57 57 LYS N N 57 119.855 119.881 -0.026 1
1 743 . 18 1 1 A 58 58 SER H H 58 7.729 8.209 -0.480 1
1 744 . 18 1 1 A 58 58 SER HA H 58 4.125 4.307 -0.182 1
1 747 . 18 1 1 A 58 58 SER C C 58 176.527 177.221 -0.694 1
1 748 . 18 1 1 A 58 58 SER CA C 58 63.029 61.037 1.992 1
1 749 . 18 1 1 A 58 58 SER CB C 58 64.686 63.183 1.503 1
1 750 . 18 1 1 A 58 58 SER N N 58 115.984 115.176 0.808 1
1 751 . 18 1 1 A 59 59 LEU H H 59 7.288 8.394 -1.106 1
1 752 . 18 1 1 A 59 59 LEU HA H 59 4.058 4.048 0.010 1
1 762 . 18 1 1 A 59 59 LEU C C 59 175.827 178.343 -2.516 1
1 763 . 18 1 1 A 59 59 LEU CA C 59 57.364 58.006 -0.642 1
1 764 . 18 1 1 A 59 59 LEU CB C 59 42.712 41.483 1.229 1
1 768 . 18 1 1 A 59 59 LEU N N 59 120.622 123.029 -2.407 1
1 769 . 18 1 1 A 60 60 ASP H H 60 7.431 8.575 -1.144 1
1 770 . 18 1 1 A 60 60 ASP HA H 60 4.386 4.360 0.026 1
1 773 . 18 1 1 A 60 60 ASP C C 60 175.927 177.918 -1.991 1
1 774 . 18 1 1 A 60 60 ASP CA C 60 57.012 57.606 -0.594 1
1 775 . 18 1 1 A 60 60 ASP CB C 60 42.351 41.230 1.121 1
1 776 . 18 1 1 A 60 60 ASP N N 60 116.755 118.386 -1.631 1
1 777 . 18 1 1 A 61 61 LYS H H 61 7.243 8.069 -0.826 1
1 778 . 18 1 1 A 61 61 LYS HA H 61 4.223 4.011 0.212 1
1 787 . 18 1 1 A 61 61 LYS C C 61 176.527 176.949 -0.422 1
1 788 . 18 1 1 A 61 61 LYS CA C 61 57.287 59.336 -2.049 1
1 789 . 18 1 1 A 61 61 LYS CB C 61 34.683 32.174 2.509 1
1 793 . 18 1 1 A 61 61 LYS N N 61 119.913 118.038 1.875 1
1 794 . 18 1 1 A 62 62 ASN H H 62 8.725 8.069 0.656 1
1 795 . 18 1 1 A 62 62 ASN HA H 62 4.462 5.001 -0.539 1
1 800 . 18 1 1 A 62 62 ASN C C 62 175.627 175.621 0.006 1
1 801 . 18 1 1 A 62 62 ASN CA C 62 55.452 52.167 3.285 1
1 802 . 18 1 1 A 62 62 ASN CB C 62 39.336 39.532 -0.196 1
1 803 . 18 1 1 A 62 62 ASN N N 62 120.247 116.571 3.676 1
1 805 . 18 1 1 A 63 63 SER H H 63 8.061 7.842 0.219 1
1 806 . 18 1 1 A 63 63 SER HA H 63 3.957 4.150 -0.193 1
1 809 . 18 1 1 A 63 63 SER C C 63 174.827 174.437 0.390 1
1 810 . 18 1 1 A 63 63 SER CA C 63 62.954 60.944 2.010 1
1 811 . 18 1 1 A 63 63 SER CB C 63 65.586 62.833 2.753 1
1 812 . 18 1 1 A 63 63 SER N N 63 113.249 115.717 -2.468 1
1 813 . 18 1 1 A 64 64 ASP H H 64 8.408 8.348 0.060 1
1 814 . 18 1 1 A 64 64 ASP HA H 64 4.573 4.750 -0.177 1
1 817 . 18 1 1 A 64 64 ASP C C 64 176.027 176.376 -0.349 1
1 818 . 18 1 1 A 64 64 ASP CA C 64 55.789 54.233 1.556 1
1 819 . 18 1 1 A 64 64 ASP CB C 64 42.365 42.419 -0.054 1
1 820 . 18 1 1 A 64 64 ASP N N 64 117.587 117.492 0.095 1
1 821 . 18 1 1 A 65 65 GLN H H 65 7.779 7.516 0.263 1
1 822 . 18 1 1 A 65 65 GLN HA H 65 4.026 4.415 -0.389 1
1 829 . 18 1 1 A 65 65 GLN C C 65 176.827 175.446 1.381 1
1 830 . 18 1 1 A 65 65 GLN CA C 65 58.241 56.393 1.848 1
1 831 . 18 1 1 A 65 65 GLN CB C 65 31.309 29.102 2.207 1
1 833 . 18 1 1 A 65 65 GLN N N 65 121.059 119.791 1.268 1
1 835 . 18 1 1 A 66 66 GLU H H 66 8.365 8.725 -0.360 1
1 836 . 18 1 1 A 66 66 GLU HA H 66 4.320 4.684 -0.364 1
1 841 . 18 1 1 A 66 66 GLU C C 66 176.227 176.737 -0.510 1
1 842 . 18 1 1 A 66 66 GLU CA C 66 58.238 56.907 1.331 1
1 843 . 18 1 1 A 66 66 GLU CB C 66 32.567 30.365 2.202 1
1 845 . 18 1 1 A 66 66 GLU N N 66 123.061 121.416 1.645 1
1 846 . 18 1 1 A 67 67 ILE H H 67 9.350 9.045 0.305 1
1 847 . 18 1 1 A 67 67 ILE HA H 67 4.543 4.908 -0.365 1
1 857 . 18 1 1 A 67 67 ILE C C 67 178.127 174.342 3.785 1
1 858 . 18 1 1 A 67 67 ILE CA C 67 61.173 58.989 2.184 1
1 859 . 18 1 1 A 67 67 ILE CB C 67 41.460 41.531 -0.071 1
1 863 . 18 1 1 A 67 67 ILE N N 67 121.809 119.481 2.328 1
1 864 . 18 1 1 A 68 68 ASP H H 68 8.140 8.796 -0.656 1
1 865 . 18 1 1 A 68 68 ASP HA H 68 5.408 4.784 0.624 1
1 868 . 18 1 1 A 68 68 ASP C C 68 176.127 177.331 -1.204 1
1 869 . 18 1 1 A 68 68 ASP CA C 68 53.471 54.592 -1.121 1
1 870 . 18 1 1 A 68 68 ASP CB C 68 43.898 42.845 1.053 1
1 871 . 18 1 1 A 68 68 ASP N N 68 122.626 125.789 -3.163 1
1 872 . 18 1 1 A 69 69 PHE H H 69 9.486 9.040 0.446 1
1 873 . 18 1 1 A 69 69 PHE HA H 69 3.397 3.811 -0.414 1
1 880 . 18 1 1 A 69 69 PHE C C 69 174.727 177.651 -2.924 1
1 881 . 18 1 1 A 69 69 PHE CA C 69 63.764 61.477 2.287 1
1 882 . 18 1 1 A 69 69 PHE CB C 69 42.009 39.198 2.811 1
1 883 . 18 1 1 A 69 69 PHE N N 69 118.584 127.468 -8.884 1
1 884 . 18 1 1 A 70 70 LYS H H 70 7.510 8.466 -0.956 1
1 885 . 18 1 1 A 70 70 LYS HA H 70 3.633 4.022 -0.389 1
1 894 . 18 1 1 A 70 70 LYS C C 70 173.627 179.468 -5.841 1
1 895 . 18 1 1 A 70 70 LYS CA C 70 61.940 59.576 2.364 1
1 896 . 18 1 1 A 70 70 LYS CB C 70 33.189 32.219 0.970 1
1 900 . 18 1 1 A 70 70 LYS N N 70 117.327 119.560 -2.233 1
1 901 . 18 1 1 A 71 71 GLU H H 71 8.151 7.827 0.324 1
1 902 . 18 1 1 A 71 71 GLU HA H 71 3.930 4.081 -0.151 1
1 907 . 18 1 1 A 71 71 GLU C C 71 173.127 178.729 -5.602 1
1 908 . 18 1 1 A 71 71 GLU CA C 71 61.000 59.162 1.838 1
1 909 . 18 1 1 A 71 71 GLU CB C 71 31.639 29.674 1.965 1
1 911 . 18 1 1 A 71 71 GLU N N 71 120.925 118.752 2.173 1
1 912 . 18 1 1 A 72 72 TYR H H 72 8.454 7.940 0.514 1
1 913 . 18 1 1 A 72 72 TYR HA H 72 4.047 4.357 -0.310 1
1 920 . 18 1 1 A 72 72 TYR C C 72 177.227 177.298 -0.071 1
1 921 . 18 1 1 A 72 72 TYR CA C 72 62.068 60.951 1.117 1
1 922 . 18 1 1 A 72 72 TYR CB C 72 39.522 38.656 0.866 1
1 923 . 18 1 1 A 72 72 TYR N N 72 123.271 122.595 0.676 1
1 924 . 18 1 1 A 73 73 SER H H 73 7.990 8.259 -0.269 1
1 925 . 18 1 1 A 73 73 SER HA H 73 3.245 3.886 -0.641 1
1 928 . 18 1 1 A 73 73 SER C C 73 174.327 176.426 -2.099 1
1 929 . 18 1 1 A 73 73 SER CA C 73 62.841 61.197 1.644 1
1 930 . 18 1 1 A 73 73 SER CB C 73 64.317 61.986 2.331 1
1 931 . 18 1 1 A 73 73 SER N N 73 115.432 114.198 1.234 1
1 932 . 18 1 1 A 74 74 VAL H H 74 8.112 8.091 0.021 1
1 933 . 18 1 1 A 74 74 VAL HA H 74 3.375 3.758 -0.383 1
1 941 . 18 1 1 A 74 74 VAL C C 74 174.427 178.289 -3.862 1
1 942 . 18 1 1 A 74 74 VAL CA C 74 68.677 65.790 2.887 1
1 943 . 18 1 1 A 74 74 VAL CB C 74 33.164 31.464 1.700 1
1 946 . 18 1 1 A 74 74 VAL N N 74 123.807 119.088 4.719 1
1 947 . 18 1 1 A 75 75 PHE H H 75 8.149 8.154 -0.005 1
1 948 . 18 1 1 A 75 75 PHE HA H 75 3.878 4.172 -0.294 1
1 955 . 18 1 1 A 75 75 PHE C C 75 174.627 177.100 -2.473 1
1 956 . 18 1 1 A 75 75 PHE CA C 75 64.444 61.122 3.322 1
1 957 . 18 1 1 A 75 75 PHE CB C 75 40.823 39.444 1.379 1
1 958 . 18 1 1 A 75 75 PHE N N 75 122.351 123.722 -1.371 1
1 959 . 18 1 1 A 76 76 LEU H H 76 8.141 8.870 -0.729 1
1 960 . 18 1 1 A 76 76 LEU HA H 76 3.648 3.889 -0.241 1
1 970 . 18 1 1 A 76 76 LEU C C 76 173.327 179.446 -6.119 1
1 971 . 18 1 1 A 76 76 LEU CA C 76 59.810 58.042 1.768 1
1 972 . 18 1 1 A 76 76 LEU CB C 76 42.994 41.324 1.670 1
1 976 . 18 1 1 A 76 76 LEU N N 76 116.801 119.369 -2.568 1
1 977 . 18 1 1 A 77 77 THR H H 77 8.005 7.820 0.185 1
1 978 . 18 1 1 A 77 77 THR HA H 77 3.561 3.756 -0.195 1
1 984 . 18 1 1 A 77 77 THR C C 77 176.427 175.530 0.897 1
1 985 . 18 1 1 A 77 77 THR CA C 77 69.876 66.286 3.590 1
1 986 . 18 1 1 A 77 77 THR CB C 77 71.163 68.109 3.054 1
1 988 . 18 1 1 A 77 77 THR N N 77 116.415 116.028 0.387 1
1 989 . 18 1 1 A 78 78 MET H H 78 8.059 8.557 -0.498 1
1 990 . 18 1 1 A 78 78 MET HA H 78 3.771 3.982 -0.211 1
1 995 . 18 1 1 A 78 78 MET C C 78 172.927 178.400 -5.473 1
1 996 . 18 1 1 A 78 78 MET CA C 78 60.751 58.087 2.664 1
1 997 . 18 1 1 A 78 78 MET CB C 78 33.255 31.928 1.327 1
1 999 . 18 1 1 A 78 78 MET N N 78 120.960 119.758 1.202 1
1 1000 . 18 1 1 A 79 79 LEU H H 79 8.007 8.104 -0.097 1
1 1001 . 18 1 1 A 79 79 LEU HA H 79 3.646 3.907 -0.261 1
1 1011 . 18 1 1 A 79 79 LEU C C 79 174.527 178.143 -3.616 1
1 1012 . 18 1 1 A 79 79 LEU CA C 79 59.756 57.579 2.177 1
1 1013 . 18 1 1 A 79 79 LEU CB C 79 42.961 41.712 1.249 1
1 1017 . 18 1 1 A 79 79 LEU N N 79 120.772 120.451 0.321 1
1 1018 . 18 1 1 A 80 80 CYS H H 80 8.268 8.207 0.061 1
1 1019 . 18 1 1 A 80 80 CYS HA H 80 3.344 3.652 -0.308 1
1 1022 . 18 1 1 A 80 80 CYS C C 80 176.127 176.743 -0.616 1
1 1023 . 18 1 1 A 80 80 CYS CA C 80 64.083 62.429 1.654 1
1 1024 . 18 1 1 A 80 80 CYS CB C 80 28.199 26.771 1.428 1
1 1025 . 18 1 1 A 80 80 CYS N N 80 118.257 118.209 0.048 1
1 1026 . 18 1 1 A 81 81 MET H H 81 7.600 7.890 -0.290 1
1 1027 . 18 1 1 A 81 81 MET HA H 81 3.242 4.095 -0.853 1
1 1035 . 18 1 1 A 81 81 MET C C 81 176.227 176.768 -0.541 1
1 1036 . 18 1 1 A 81 81 MET CA C 81 60.091 57.052 3.039 1
1 1037 . 18 1 1 A 81 81 MET CB C 81 34.090 31.636 2.454 1
1 1040 . 18 1 1 A 81 81 MET N N 81 114.515 118.222 -3.707 1
1 1041 . 18 1 1 A 82 82 ALA H H 82 7.299 7.250 0.049 1
1 1042 . 18 1 1 A 82 82 ALA HA H 82 4.121 4.155 -0.034 1
1 1046 . 18 1 1 A 82 82 ALA C C 82 173.827 177.412 -3.585 1
1 1047 . 18 1 1 A 82 82 ALA CA C 82 54.930 53.502 1.428 1
1 1048 . 18 1 1 A 82 82 ALA CB C 82 20.641 18.904 1.737 1
1 1049 . 18 1 1 A 82 82 ALA N N 82 118.977 122.620 -3.643 1
1 1050 . 18 1 1 A 83 83 TYR H H 83 7.623 7.096 0.527 1
1 1051 . 18 1 1 A 83 83 TYR HA H 83 4.771 4.632 0.139 1
1 1058 . 18 1 1 A 83 83 TYR CA C 83 59.333 57.231 2.102 1
1 1059 . 18 1 1 A 83 83 TYR CB C 83 41.599 40.627 0.972 1
1 1060 . 18 1 1 A 83 83 TYR N N 83 113.311 113.972 -0.661 1
1 1061 . 18 1 1 A 84 84 ASN HA H 84 4.534 5.254 -0.720 1
1 1064 . 18 1 1 A 84 84 ASN CA C 84 56.126 52.986 3.140 1
1 1065 . 18 1 1 A 84 84 ASN CB C 84 41.990 39.293 2.697 1
1 1066 . 18 1 1 A 85 85 ASP H H 85 8.681 8.288 0.393 1
1 1067 . 18 1 1 A 85 85 ASP HA H 85 4.086 4.500 -0.414 1
1 1070 . 18 1 1 A 85 85 ASP CA C 85 58.457 55.588 2.869 1
1 1071 . 18 1 1 A 85 85 ASP CB C 85 42.260 39.248 3.012 1
1 1072 . 18 1 1 A 85 85 ASP N N 85 126.079 119.609 6.470 1
1 1073 . 18 1 1 A 86 86 PHE H H 86 8.672 7.744 0.928 1
1 1074 . 18 1 1 A 86 86 PHE HA H 86 3.744 4.294 -0.550 1
1 1081 . 18 1 1 A 86 86 PHE C C 86 176.827 177.178 -0.351 1
1 1082 . 18 1 1 A 86 86 PHE CA C 86 62.903 60.795 2.108 1
1 1083 . 18 1 1 A 86 86 PHE CB C 86 41.596 38.119 3.477 1
1 1084 . 18 1 1 A 86 86 PHE N N 86 121.950 117.761 4.189 1
1 1085 . 18 1 1 A 87 87 PHE H H 87 7.225 7.548 -0.323 1
1 1086 . 18 1 1 A 87 87 PHE HA H 87 3.836 4.674 -0.838 1
1 1093 . 18 1 1 A 87 87 PHE C C 87 176.927 175.331 1.596 1
1 1094 . 18 1 1 A 87 87 PHE CA C 87 60.422 58.078 2.344 1
1 1095 . 18 1 1 A 87 87 PHE CB C 87 41.081 39.590 1.491 1
1 1096 . 18 1 1 A 87 87 PHE N N 87 110.928 116.610 -5.682 1
1 1097 . 18 1 1 A 88 88 LEU H H 88 7.130 7.701 -0.571 1
1 1098 . 18 1 1 A 88 88 LEU HA H 88 4.169 4.798 -0.629 1
1 1108 . 18 1 1 A 88 88 LEU C C 88 175.027 177.453 -2.426 1
1 1109 . 18 1 1 A 88 88 LEU CA C 88 56.962 53.340 3.622 1
1 1110 . 18 1 1 A 88 88 LEU CB C 88 44.199 43.801 0.398 1
1 1114 . 18 1 1 A 88 88 LEU N N 88 119.732 119.587 0.145 1
1 1115 . 18 1 1 A 89 89 GLU H H 89 8.097 8.742 -0.645 1
1 1116 . 18 1 1 A 89 89 GLU HA H 89 4.087 4.345 -0.258 1
1 1121 . 18 1 1 A 89 89 GLU C C 89 176.427 176.131 0.296 1
1 1122 . 18 1 1 A 89 89 GLU CA C 89 58.216 56.334 1.882 1
1 1123 . 18 1 1 A 89 89 GLU CB C 89 32.309 29.609 2.700 1
1 1125 . 18 1 1 A 89 89 GLU N N 89 121.626 121.220 0.406 1
1 1126 . 18 1 1 A 90 90 ASP H H 90 8.243 8.132 0.111 1
1 1127 . 18 1 1 A 90 90 ASP HA H 90 4.425 4.417 0.008 1
1 1130 . 18 1 1 A 90 90 ASP C C 90 176.527 176.540 -0.013 1
1 1131 . 18 1 1 A 90 90 ASP CA C 90 55.815 55.722 0.093 1
1 1132 . 18 1 1 A 90 90 ASP CB C 90 42.874 40.617 2.257 1
1 1133 . 18 1 1 A 90 90 ASP N N 90 121.280 118.394 2.886 1
1 1134 . 18 1 1 A 91 91 ASN H H 91 8.267 8.347 -0.080 1
1 1135 . 18 1 1 A 91 91 ASN HA H 91 4.563 4.530 0.033 1
1 1140 . 18 1 1 A 91 91 ASN C C 91 178.127 175.094 3.033 1
1 1141 . 18 1 1 A 91 91 ASN CA C 91 54.928 55.436 -0.508 1
1 1142 . 18 1 1 A 91 91 ASN CB C 91 40.529 39.186 1.343 1
1 1143 . 18 1 1 A 91 91 ASN N N 91 119.209 116.515 2.694 1
1 14 . 19 1 1 A 2 2 GLU H H 2 8.722 9.096 -0.374 1
1 15 . 19 1 1 A 2 2 GLU HA H 2 4.557 5.245 -0.688 1
1 20 . 19 1 1 A 2 2 GLU C C 2 175.827 174.877 0.950 1
1 21 . 19 1 1 A 2 2 GLU CA C 2 58.063 54.870 3.193 1
1 22 . 19 1 1 A 2 2 GLU CB C 2 33.147 33.331 -0.184 1
1 24 . 19 1 1 A 2 2 GLU N N 2 124.627 117.625 7.002 1
1 25 . 19 1 1 A 3 3 THR H H 3 8.670 8.693 -0.023 1
1 26 . 19 1 1 A 3 3 THR HA H 3 4.616 5.047 -0.431 1
1 31 . 19 1 1 A 3 3 THR CA C 3 61.734 58.419 3.315 1
1 32 . 19 1 1 A 3 3 THR CB C 3 70.590 70.063 0.527 1
1 34 . 19 1 1 A 3 3 THR N N 3 116.274 111.793 4.481 1
1 35 . 19 1 1 A 4 4 PRO HA H 4 4.161 4.552 -0.391 1
1 42 . 19 1 1 A 4 4 PRO C C 4 172.227 177.558 -5.331 1
1 43 . 19 1 1 A 4 4 PRO CA C 4 68.211 64.115 4.096 1
1 44 . 19 1 1 A 4 4 PRO CB C 4 33.796 32.044 1.752 1
1 47 . 19 1 1 A 5 5 LEU H H 5 9.207 7.721 1.486 1
1 48 . 19 1 1 A 5 5 LEU HA H 5 4.038 4.061 -0.023 1
1 58 . 19 1 1 A 5 5 LEU C C 5 174.327 178.292 -3.965 1
1 59 . 19 1 1 A 5 5 LEU CA C 5 59.483 57.538 1.945 1
1 60 . 19 1 1 A 5 5 LEU CB C 5 43.877 41.577 2.300 1
1 64 . 19 1 1 A 5 5 LEU N N 5 119.157 118.357 0.800 1
1 65 . 19 1 1 A 6 6 GLU H H 6 7.661 8.207 -0.546 1
1 66 . 19 1 1 A 6 6 GLU HA H 6 3.755 3.988 -0.233 1
1 71 . 19 1 1 A 6 6 GLU C C 6 172.727 179.003 -6.276 1
1 72 . 19 1 1 A 6 6 GLU CA C 6 61.953 59.604 2.349 1
1 73 . 19 1 1 A 6 6 GLU CB C 6 31.354 29.262 2.092 1
1 75 . 19 1 1 A 6 6 GLU N N 6 119.837 118.577 1.260 1
1 76 . 19 1 1 A 7 7 LYS H H 7 8.430 7.571 0.859 1
1 77 . 19 1 1 A 7 7 LYS HA H 7 3.921 4.110 -0.189 1
1 86 . 19 1 1 A 7 7 LYS C C 7 172.927 178.889 -5.962 1
1 87 . 19 1 1 A 7 7 LYS CA C 7 61.312 58.938 2.374 1
1 88 . 19 1 1 A 7 7 LYS CB C 7 33.861 32.061 1.800 1
1 92 . 19 1 1 A 7 7 LYS N N 7 119.023 119.198 -0.175 1
1 93 . 19 1 1 A 8 8 ALA H H 8 8.079 7.954 0.125 1
1 94 . 19 1 1 A 8 8 ALA HA H 8 4.085 4.046 0.039 1
1 98 . 19 1 1 A 8 8 ALA C C 8 173.027 180.151 -7.124 1
1 99 . 19 1 1 A 8 8 ALA CA C 8 56.967 54.941 2.026 1
1 100 . 19 1 1 A 8 8 ALA CB C 8 20.140 18.231 1.909 1
1 101 . 19 1 1 A 8 8 ALA N N 8 123.824 122.689 1.135 1
1 102 . 19 1 1 A 9 9 LEU H H 9 8.032 7.800 0.232 1
1 103 . 19 1 1 A 9 9 LEU HA H 9 4.061 4.086 -0.025 1
1 113 . 19 1 1 A 9 9 LEU C C 9 172.527 178.936 -6.409 1
1 114 . 19 1 1 A 9 9 LEU CA C 9 60.071 57.993 2.078 1
1 115 . 19 1 1 A 9 9 LEU CB C 9 42.714 42.624 0.090 1
1 119 . 19 1 1 A 9 9 LEU N N 9 118.643 118.703 -0.060 1
1 120 . 19 1 1 A 10 10 THR H H 10 8.686 8.384 0.302 1
1 121 . 19 1 1 A 10 10 THR HA H 10 3.798 3.915 -0.117 1
1 126 . 19 1 1 A 10 10 THR C C 10 175.127 176.816 -1.689 1
1 127 . 19 1 1 A 10 10 THR CA C 10 69.282 66.370 2.912 1
1 128 . 19 1 1 A 10 10 THR CB C 10 70.132 68.365 1.767 1
1 130 . 19 1 1 A 10 10 THR N N 10 117.087 113.109 3.978 1
1 131 . 19 1 1 A 11 11 THR H H 11 8.628 7.913 0.715 1
1 132 . 19 1 1 A 11 11 THR HA H 11 3.961 3.893 0.068 1
1 137 . 19 1 1 A 11 11 THR C C 11 174.427 176.894 -2.467 1
1 138 . 19 1 1 A 11 11 THR CA C 11 68.408 66.601 1.807 1
1 139 . 19 1 1 A 11 11 THR CB C 11 69.107 68.229 0.878 1
1 141 . 19 1 1 A 11 11 THR N N 11 120.770 116.343 4.427 1
1 142 . 19 1 1 A 12 12 MET H H 12 8.390 8.573 -0.183 1
1 143 . 19 1 1 A 12 12 MET HA H 12 3.956 4.290 -0.334 1
1 151 . 19 1 1 A 12 12 MET C C 12 175.127 178.301 -3.174 1
1 152 . 19 1 1 A 12 12 MET CA C 12 62.750 58.299 4.451 1
1 153 . 19 1 1 A 12 12 MET CB C 12 34.952 32.701 2.251 1
1 156 . 19 1 1 A 12 12 MET N N 12 124.388 118.966 5.422 1
1 157 . 19 1 1 A 13 13 VAL H H 13 8.104 8.470 -0.366 1
1 158 . 19 1 1 A 13 13 VAL HA H 13 3.576 3.442 0.134 1
1 166 . 19 1 1 A 13 13 VAL C C 13 175.327 177.858 -2.531 1
1 167 . 19 1 1 A 13 13 VAL CA C 13 68.958 65.275 3.683 1
1 168 . 19 1 1 A 13 13 VAL CB C 13 33.703 31.329 2.374 1
1 171 . 19 1 1 A 13 13 VAL N N 13 121.753 116.732 5.021 1
1 172 . 19 1 1 A 14 14 THR H H 14 9.186 8.180 1.006 1
1 173 . 19 1 1 A 14 14 THR HA H 14 3.774 3.974 -0.200 1
1 178 . 19 1 1 A 14 14 THR C C 14 173.927 176.515 -2.588 1
1 179 . 19 1 1 A 14 14 THR CA C 14 67.955 65.979 1.976 1
1 180 . 19 1 1 A 14 14 THR CB C 14 70.504 68.756 1.748 1
1 182 . 19 1 1 A 14 14 THR N N 14 114.911 116.382 -1.471 1
1 183 . 19 1 1 A 15 15 THR H H 15 8.453 8.197 0.256 1
1 184 . 19 1 1 A 15 15 THR HA H 15 3.859 3.997 -0.138 1
1 190 . 19 1 1 A 15 15 THR C C 15 178.127 176.619 1.508 1
1 191 . 19 1 1 A 15 15 THR CA C 15 69.609 66.693 2.916 1
1 192 . 19 1 1 A 15 15 THR CB C 15 70.511 68.671 1.840 1
1 194 . 19 1 1 A 15 15 THR N N 15 118.791 116.344 2.447 1
1 195 . 19 1 1 A 16 16 PHE H H 16 7.207 8.471 -1.264 1
1 196 . 19 1 1 A 16 16 PHE HA H 16 3.572 4.078 -0.506 1
1 203 . 19 1 1 A 16 16 PHE C C 16 178.527 177.410 1.117 1
1 204 . 19 1 1 A 16 16 PHE CA C 16 64.090 61.392 2.698 1
1 205 . 19 1 1 A 16 16 PHE CB C 16 41.091 38.929 2.162 1
1 206 . 19 1 1 A 16 16 PHE N N 16 121.331 122.032 -0.701 1
1 207 . 19 1 1 A 17 17 HIS H H 17 8.393 8.560 -0.167 1
1 208 . 19 1 1 A 17 17 HIS HA H 17 5.329 4.205 1.124 1
1 211 . 19 1 1 A 17 17 HIS C C 17 174.627 177.408 -2.781 1
1 212 . 19 1 1 A 17 17 HIS CA C 17 56.667 60.301 -3.634 1
1 213 . 19 1 1 A 17 17 HIS CB C 17 32.397 29.762 2.635 1
1 214 . 19 1 1 A 17 17 HIS N N 17 117.858 119.056 -1.198 1
1 215 . 19 1 1 A 18 18 LYS H H 18 7.767 8.235 -0.468 1
1 216 . 19 1 1 A 18 18 LYS HA H 18 3.553 3.953 -0.400 1
1 225 . 19 1 1 A 18 18 LYS C C 18 175.527 177.177 -1.650 1
1 226 . 19 1 1 A 18 18 LYS CA C 18 61.301 58.919 2.382 1
1 227 . 19 1 1 A 18 18 LYS CB C 18 33.523 32.166 1.357 1
1 231 . 19 1 1 A 18 18 LYS N N 18 120.691 118.142 2.549 1
1 232 . 19 1 1 A 19 19 TYR H H 19 7.079 7.932 -0.853 1
1 233 . 19 1 1 A 19 19 TYR HA H 19 3.993 4.642 -0.649 1
1 240 . 19 1 1 A 19 19 TYR C C 19 174.227 176.630 -2.403 1
1 241 . 19 1 1 A 19 19 TYR CA C 19 61.287 57.772 3.515 1
1 242 . 19 1 1 A 19 19 TYR CB C 19 42.066 39.716 2.350 1
1 243 . 19 1 1 A 19 19 TYR N N 19 114.592 116.542 -1.950 1
1 244 . 19 1 1 A 20 20 SER H H 20 9.708 8.012 1.696 1
1 245 . 19 1 1 A 20 20 SER HA H 20 4.117 4.442 -0.325 1
1 248 . 19 1 1 A 20 20 SER C C 20 175.227 176.873 -1.646 1
1 249 . 19 1 1 A 20 20 SER CA C 20 60.135 61.911 -1.776 1
1 250 . 19 1 1 A 20 20 SER CB C 20 63.159 63.960 -0.801 1
1 251 . 19 1 1 A 20 20 SER N N 20 121.764 115.679 6.085 1
1 252 . 19 1 1 A 21 21 GLY H H 21 8.146 8.649 -0.503 1
1 253 . 19 1 1 A 21 21 GLY HA2 H 21 3.956 3.893 0.063 1
1 254 . 19 1 1 A 21 21 GLY HA3 H 21 3.571 4.040 -0.469 1
1 255 . 19 1 1 A 21 21 GLY C C 21 177.927 175.699 2.228 1
1 256 . 19 1 1 A 21 21 GLY CA C 21 46.646 46.313 0.333 1
1 257 . 19 1 1 A 21 21 GLY N N 21 106.982 108.985 -2.003 1
1 258 . 19 1 1 A 22 22 ARG H H 22 7.007 7.774 -0.767 1
1 259 . 19 1 1 A 22 22 ARG HA H 22 3.815 4.002 -0.187 1
1 266 . 19 1 1 A 22 22 ARG C C 22 175.927 177.651 -1.724 1
1 267 . 19 1 1 A 22 22 ARG CA C 22 60.766 59.381 1.385 1
1 268 . 19 1 1 A 22 22 ARG CB C 22 32.302 30.063 2.239 1
1 271 . 19 1 1 A 22 22 ARG N N 22 118.055 120.942 -2.887 1
1 272 . 19 1 1 A 23 23 GLU H H 23 7.551 8.284 -0.733 1
1 273 . 19 1 1 A 23 23 GLU HA H 23 4.436 4.497 -0.061 1
1 278 . 19 1 1 A 23 23 GLU C C 23 177.727 176.446 1.281 1
1 279 . 19 1 1 A 23 23 GLU CA C 23 56.853 56.222 0.631 1
1 280 . 19 1 1 A 23 23 GLU CB C 23 33.988 31.807 2.181 1
1 282 . 19 1 1 A 23 23 GLU N N 23 114.631 115.150 -0.519 1
1 283 . 19 1 1 A 24 24 GLY H H 24 8.376 7.291 1.085 1
1 284 . 19 1 1 A 24 24 GLY HA2 H 24 3.771 4.024 -0.253 1
1 285 . 19 1 1 A 24 24 GLY HA3 H 24 3.567 4.123 -0.556 1
1 286 . 19 1 1 A 24 24 GLY C C 24 177.127 172.621 4.506 1
1 287 . 19 1 1 A 24 24 GLY CA C 24 47.718 46.056 1.662 1
1 288 . 19 1 1 A 24 24 GLY N N 24 107.626 106.605 1.021 1
1 289 . 19 1 1 A 25 25 SER H H 25 8.443 8.597 -0.154 1
1 290 . 19 1 1 A 25 25 SER HA H 25 4.314 4.271 0.043 1
1 293 . 19 1 1 A 25 25 SER C C 25 175.527 174.382 1.145 1
1 294 . 19 1 1 A 25 25 SER CA C 25 59.146 59.918 -0.772 1
1 295 . 19 1 1 A 25 25 SER CB C 25 65.573 63.274 2.299 1
1 296 . 19 1 1 A 25 25 SER N N 25 119.000 120.614 -1.614 1
1 297 . 19 1 1 A 26 26 LYS H H 26 8.821 8.568 0.253 1
1 298 . 19 1 1 A 26 26 LYS HA H 26 4.307 4.075 0.232 1
1 307 . 19 1 1 A 26 26 LYS C C 26 176.027 177.299 -1.272 1
1 308 . 19 1 1 A 26 26 LYS CA C 26 59.180 57.874 1.306 1
1 309 . 19 1 1 A 26 26 LYS CB C 26 33.211 32.094 1.117 1
1 313 . 19 1 1 A 26 26 LYS N N 26 126.125 127.555 -1.430 1
1 314 . 19 1 1 A 27 27 LEU H H 27 8.237 7.747 0.490 1
1 315 . 19 1 1 A 27 27 LEU HA H 27 4.534 4.552 -0.018 1
1 325 . 19 1 1 A 27 27 LEU C C 27 175.627 175.833 -0.206 1
1 326 . 19 1 1 A 27 27 LEU CA C 27 56.384 54.844 1.540 1
1 327 . 19 1 1 A 27 27 LEU CB C 27 44.218 42.364 1.854 1
1 331 . 19 1 1 A 27 27 LEU N N 27 117.484 112.642 4.842 1
1 332 . 19 1 1 A 28 28 THR H H 28 7.386 7.789 -0.403 1
1 333 . 19 1 1 A 28 28 THR HA H 28 5.517 5.668 -0.151 1
1 338 . 19 1 1 A 28 28 THR C C 28 180.227 172.574 7.653 1
1 339 . 19 1 1 A 28 28 THR CA C 28 61.014 60.165 0.849 1
1 340 . 19 1 1 A 28 28 THR CB C 28 75.348 73.234 2.114 1
1 342 . 19 1 1 A 28 28 THR N N 28 106.230 109.916 -3.686 1
1 343 . 19 1 1 A 29 29 LEU H H 29 8.721 8.467 0.254 1
1 344 . 19 1 1 A 29 29 LEU HA H 29 4.713 4.752 -0.039 1
1 354 . 19 1 1 A 29 29 LEU C C 29 176.927 175.352 1.575 1
1 355 . 19 1 1 A 29 29 LEU CA C 29 55.163 53.669 1.494 1
1 356 . 19 1 1 A 29 29 LEU CB C 29 46.059 44.224 1.835 1
1 360 . 19 1 1 A 29 29 LEU N N 29 116.728 117.651 -0.923 1
1 361 . 19 1 1 A 30 30 SER H H 30 8.866 8.782 0.084 1
1 362 . 19 1 1 A 30 30 SER HA H 30 4.942 4.848 0.094 1
1 365 . 19 1 1 A 30 30 SER C C 30 176.327 175.888 0.439 1
1 366 . 19 1 1 A 30 30 SER CA C 30 59.032 57.417 1.615 1
1 367 . 19 1 1 A 30 30 SER CB C 30 67.150 64.659 2.491 1
1 368 . 19 1 1 A 30 30 SER N N 30 117.110 115.511 1.599 1
1 369 . 19 1 1 A 31 31 ARG H H 31 8.393 8.641 -0.248 1
1 370 . 19 1 1 A 31 31 ARG HA H 31 3.695 3.862 -0.167 1
1 377 . 19 1 1 A 31 31 ARG C C 31 174.127 178.842 -4.715 1
1 378 . 19 1 1 A 31 31 ARG CA C 31 62.776 59.939 2.837 1
1 379 . 19 1 1 A 31 31 ARG CB C 31 31.601 29.860 1.741 1
1 382 . 19 1 1 A 31 31 ARG N N 31 121.109 122.109 -1.000 1
1 383 . 19 1 1 A 32 32 LYS H H 32 8.264 7.982 0.282 1
1 384 . 19 1 1 A 32 32 LYS HA H 32 3.912 4.033 -0.121 1
1 393 . 19 1 1 A 32 32 LYS C C 32 172.827 178.800 -5.973 1
1 394 . 19 1 1 A 32 32 LYS CA C 32 61.591 59.706 1.885 1
1 395 . 19 1 1 A 32 32 LYS CB C 32 34.116 32.277 1.839 1
1 399 . 19 1 1 A 32 32 LYS N N 32 118.536 119.718 -1.182 1
1 400 . 19 1 1 A 33 33 GLU H H 33 7.790 7.663 0.127 1
1 401 . 19 1 1 A 33 33 GLU HA H 33 4.049 4.129 -0.080 1
1 406 . 19 1 1 A 33 33 GLU C C 33 174.327 178.635 -4.308 1
1 407 . 19 1 1 A 33 33 GLU CA C 33 60.634 59.322 1.312 1
1 408 . 19 1 1 A 33 33 GLU CB C 33 31.617 28.863 2.754 1
1 410 . 19 1 1 A 33 33 GLU N N 33 121.557 118.855 2.702 1
1 411 . 19 1 1 A 34 34 LEU H H 34 8.388 8.020 0.368 1
1 412 . 19 1 1 A 34 34 LEU HA H 34 3.844 3.814 0.030 1
1 422 . 19 1 1 A 34 34 LEU C C 34 174.927 178.155 -3.228 1
1 423 . 19 1 1 A 34 34 LEU CA C 34 59.173 57.605 1.568 1
1 424 . 19 1 1 A 34 34 LEU CB C 34 42.053 41.513 0.540 1
1 428 . 19 1 1 A 34 34 LEU N N 34 120.999 121.156 -0.157 1
1 429 . 19 1 1 A 35 35 LYS H H 35 7.817 7.791 0.026 1
1 430 . 19 1 1 A 35 35 LYS HA H 35 3.478 3.801 -0.323 1
1 439 . 19 1 1 A 35 35 LYS C C 35 174.627 178.261 -3.634 1
1 440 . 19 1 1 A 35 35 LYS CA C 35 62.312 59.597 2.715 1
1 441 . 19 1 1 A 35 35 LYS CB C 35 33.814 32.178 1.636 1
1 445 . 19 1 1 A 35 35 LYS N N 35 118.738 118.977 -0.239 1
1 446 . 19 1 1 A 36 36 GLU H H 36 7.208 7.727 -0.519 1
1 447 . 19 1 1 A 36 36 GLU HA H 36 3.801 4.160 -0.359 1
1 452 . 19 1 1 A 36 36 GLU C C 36 175.227 178.511 -3.284 1
1 453 . 19 1 1 A 36 36 GLU CA C 36 61.015 58.727 2.288 1
1 454 . 19 1 1 A 36 36 GLU CB C 36 30.770 29.480 1.290 1
1 456 . 19 1 1 A 36 36 GLU N N 36 118.771 118.866 -0.095 1
1 457 . 19 1 1 A 37 37 LEU H H 37 8.038 8.163 -0.125 1
1 458 . 19 1 1 A 37 37 LEU HA H 37 3.178 3.570 -0.392 1
1 468 . 19 1 1 A 37 37 LEU C C 37 172.927 178.657 -5.730 1
1 469 . 19 1 1 A 37 37 LEU CA C 37 60.915 57.838 3.077 1
1 470 . 19 1 1 A 37 37 LEU CB C 37 43.352 41.399 1.953 1
1 474 . 19 1 1 A 37 37 LEU N N 37 121.767 121.026 0.741 1
1 475 . 19 1 1 A 38 38 ILE H H 38 8.224 7.590 0.634 1
1 476 . 19 1 1 A 38 38 ILE HA H 38 3.234 4.154 -0.920 1
1 486 . 19 1 1 A 38 38 ILE C C 38 174.727 176.707 -1.980 1
1 487 . 19 1 1 A 38 38 ILE CA C 38 66.464 62.827 3.637 1
1 488 . 19 1 1 A 38 38 ILE CB C 38 38.799 37.763 1.036 1
1 492 . 19 1 1 A 38 38 ILE N N 38 119.417 119.230 0.187 1
1 493 . 19 1 1 A 39 39 LYS H H 39 7.700 7.786 -0.086 1
1 494 . 19 1 1 A 39 39 LYS HA H 39 3.894 4.673 -0.779 1
1 503 . 19 1 1 A 39 39 LYS C C 39 173.727 177.541 -3.814 1
1 504 . 19 1 1 A 39 39 LYS CA C 39 61.015 55.571 5.444 1
1 505 . 19 1 1 A 39 39 LYS CB C 39 34.100 33.258 0.842 1
1 509 . 19 1 1 A 39 39 LYS N N 39 117.277 120.021 -2.744 1
1 510 . 19 1 1 A 40 40 LYS H H 40 8.170 7.730 0.440 1
1 511 . 19 1 1 A 40 40 LYS HA H 40 4.226 4.297 -0.071 1
1 520 . 19 1 1 A 40 40 LYS C C 40 173.427 178.502 -5.075 1
1 521 . 19 1 1 A 40 40 LYS CA C 40 59.251 58.418 0.833 1
1 522 . 19 1 1 A 40 40 LYS CB C 40 35.528 33.397 2.131 1
1 526 . 19 1 1 A 40 40 LYS N N 40 115.146 119.396 -4.250 1
1 527 . 19 1 1 A 41 41 GLU H H 41 8.778 8.349 0.429 1
1 528 . 19 1 1 A 41 41 GLU HA H 41 4.629 4.410 0.219 1
1 533 . 19 1 1 A 41 41 GLU C C 41 175.527 176.379 -0.852 1
1 534 . 19 1 1 A 41 41 GLU CA C 41 57.177 58.663 -1.486 1
1 535 . 19 1 1 A 41 41 GLU CB C 41 31.656 30.332 1.324 1
1 537 . 19 1 1 A 41 41 GLU N N 41 113.604 116.422 -2.818 1
1 538 . 19 1 1 A 42 42 LEU H H 42 7.610 6.940 0.670 1
1 539 . 19 1 1 A 42 42 LEU HA H 42 4.475 4.416 0.059 1
1 549 . 19 1 1 A 42 42 LEU C C 42 177.227 177.922 -0.695 1
1 550 . 19 1 1 A 42 42 LEU CA C 42 56.047 54.700 1.347 1
1 551 . 19 1 1 A 42 42 LEU CB C 42 45.748 42.597 3.151 1
1 555 . 19 1 1 A 42 42 LEU N N 42 118.997 120.574 -1.577 1
1 556 . 19 1 1 A 43 43 CYS H H 43 8.501 9.007 -0.506 1
1 557 . 19 1 1 A 43 43 CYS HA H 43 4.397 4.133 0.264 1
1 560 . 19 1 1 A 43 43 CYS C C 43 177.327 175.158 2.169 1
1 561 . 19 1 1 A 43 43 CYS CA C 43 60.023 62.139 -2.116 1
1 562 . 19 1 1 A 43 43 CYS CB C 43 27.915 27.127 0.788 1
1 563 . 19 1 1 A 43 43 CYS N N 43 119.622 125.028 -5.406 1
1 564 . 19 1 1 A 44 44 LEU H H 44 8.200 7.787 0.413 1
1 565 . 19 1 1 A 44 44 LEU HA H 44 3.979 4.102 -0.123 1
1 575 . 19 1 1 A 44 44 LEU C C 44 173.927 177.221 -3.294 1
1 576 . 19 1 1 A 44 44 LEU CA C 44 57.244 56.596 0.648 1
1 577 . 19 1 1 A 44 44 LEU CB C 44 43.622 42.024 1.598 1
1 581 . 19 1 1 A 44 44 LEU N N 44 121.955 121.330 0.625 1
1 582 . 19 1 1 A 45 45 GLY H H 45 8.244 8.023 0.221 1
1 583 . 19 1 1 A 45 45 GLY HA2 H 45 3.849 3.963 -0.114 1
1 584 . 19 1 1 A 45 45 GLY HA3 H 45 3.789 4.028 -0.239 1
1 585 . 19 1 1 A 45 45 GLY C C 45 178.027 175.321 2.706 1
1 586 . 19 1 1 A 45 45 GLY CA C 45 47.023 45.582 1.441 1
1 587 . 19 1 1 A 45 45 GLY N N 45 107.702 113.166 -5.464 1
1 588 . 19 1 1 A 46 46 GLU H H 46 8.286 8.378 -0.092 1
1 589 . 19 1 1 A 46 46 GLU HA H 46 4.039 4.064 -0.025 1
1 594 . 19 1 1 A 46 46 GLU C C 46 175.127 176.418 -1.291 1
1 595 . 19 1 1 A 46 46 GLU CA C 46 59.176 58.429 0.747 1
1 596 . 19 1 1 A 46 46 GLU CB C 46 31.361 28.405 2.956 1
1 598 . 19 1 1 A 46 46 GLU N N 46 119.602 119.954 -0.352 1
1 599 . 19 1 1 A 47 47 MET H H 47 8.048 7.868 0.180 1
1 600 . 19 1 1 A 47 47 MET HA H 47 4.229 4.475 -0.246 1
1 608 . 19 1 1 A 47 47 MET C C 47 175.727 175.065 0.662 1
1 609 . 19 1 1 A 47 47 MET CA C 47 58.183 55.941 2.242 1
1 610 . 19 1 1 A 47 47 MET CB C 47 34.087 35.339 -1.252 1
1 613 . 19 1 1 A 47 47 MET N N 47 119.617 117.760 1.857 1
1 614 . 19 1 1 A 48 48 LYS H H 48 8.221 7.902 0.319 1
1 615 . 19 1 1 A 48 48 LYS HA H 48 4.217 4.639 -0.422 1
1 624 . 19 1 1 A 48 48 LYS C C 48 174.927 176.009 -1.082 1
1 625 . 19 1 1 A 48 48 LYS CA C 48 58.304 54.786 3.518 1
1 626 . 19 1 1 A 48 48 LYS CB C 48 34.548 34.477 0.071 1
1 630 . 19 1 1 A 48 48 LYS N N 48 120.987 117.176 3.811 1
1 631 . 19 1 1 A 49 49 GLU H H 49 8.346 8.530 -0.184 1
1 632 . 19 1 1 A 49 49 GLU HA H 49 3.922 4.452 -0.530 1
1 637 . 19 1 1 A 49 49 GLU C C 49 174.427 177.468 -3.041 1
1 638 . 19 1 1 A 49 49 GLU CA C 49 60.298 57.340 2.958 1
1 639 . 19 1 1 A 49 49 GLU CB C 49 31.065 30.870 0.195 1
1 641 . 19 1 1 A 49 49 GLU N N 49 121.867 121.428 0.439 1
1 642 . 19 1 1 A 50 50 SER H H 50 8.348 8.228 0.120 1
1 643 . 19 1 1 A 50 50 SER HA H 50 4.172 4.344 -0.172 1
1 647 . 19 1 1 A 50 50 SER C C 50 176.027 173.916 2.111 1
1 648 . 19 1 1 A 50 50 SER CA C 50 62.548 59.300 3.248 1
1 649 . 19 1 1 A 50 50 SER CB C 50 64.840 62.143 2.697 1
1 650 . 19 1 1 A 50 50 SER N N 50 115.695 115.189 0.506 1
1 651 . 19 1 1 A 51 51 SER H H 51 7.980 8.564 -0.584 1
1 652 . 19 1 1 A 51 51 SER HA H 51 4.258 4.667 -0.409 1
1 655 . 19 1 1 A 51 51 SER C C 51 174.427 175.495 -1.068 1
1 656 . 19 1 1 A 51 51 SER CA C 51 62.828 58.949 3.879 1
1 657 . 19 1 1 A 51 51 SER CB C 51 64.749 65.759 -1.010 1
1 658 . 19 1 1 A 51 51 SER N N 51 117.126 115.042 2.084 1
1 659 . 19 1 1 A 52 52 ILE H H 52 7.365 7.854 -0.489 1
1 660 . 19 1 1 A 52 52 ILE HA H 52 4.038 3.908 0.130 1
1 670 . 19 1 1 A 52 52 ILE C C 52 175.627 177.818 -2.191 1
1 671 . 19 1 1 A 52 52 ILE CA C 52 64.609 64.421 0.188 1
1 672 . 19 1 1 A 52 52 ILE CB C 52 39.272 37.484 1.788 1
1 676 . 19 1 1 A 52 52 ILE N N 52 117.484 119.437 -1.953 1
1 677 . 19 1 1 A 53 53 ASP H H 53 7.681 8.357 -0.676 1
1 678 . 19 1 1 A 53 53 ASP HA H 53 4.214 4.319 -0.105 1
1 681 . 19 1 1 A 53 53 ASP C C 53 174.027 178.352 -4.325 1
1 682 . 19 1 1 A 53 53 ASP CA C 53 59.799 57.103 2.696 1
1 683 . 19 1 1 A 53 53 ASP CB C 53 42.927 41.034 1.893 1
1 684 . 19 1 1 A 53 53 ASP N N 53 121.969 121.343 0.626 1
1 685 . 19 1 1 A 54 54 ASP H H 54 8.227 8.289 -0.062 1
1 686 . 19 1 1 A 54 54 ASP HA H 54 4.231 4.338 -0.107 1
1 689 . 19 1 1 A 54 54 ASP C C 54 172.927 178.617 -5.690 1
1 690 . 19 1 1 A 54 54 ASP CA C 54 59.507 57.683 1.824 1
1 691 . 19 1 1 A 54 54 ASP CB C 54 41.818 42.725 -0.907 1
1 692 . 19 1 1 A 54 54 ASP N N 54 118.083 118.919 -0.836 1
1 693 . 19 1 1 A 55 55 LEU H H 55 7.650 8.128 -0.478 1
1 694 . 19 1 1 A 55 55 LEU HA H 55 4.016 4.097 -0.081 1
1 704 . 19 1 1 A 55 55 LEU C C 55 171.927 179.129 -7.202 1
1 705 . 19 1 1 A 55 55 LEU CA C 55 59.965 57.845 2.120 1
1 706 . 19 1 1 A 55 55 LEU CB C 55 43.370 41.484 1.886 1
1 710 . 19 1 1 A 55 55 LEU N N 55 121.634 119.975 1.659 1
1 711 . 19 1 1 A 56 56 MET H H 56 8.429 8.293 0.136 1
1 712 . 19 1 1 A 56 56 MET HA H 56 4.325 4.316 0.009 1
1 720 . 19 1 1 A 56 56 MET C C 56 172.527 178.346 -5.819 1
1 721 . 19 1 1 A 56 56 MET CA C 56 59.221 58.684 0.537 1
1 722 . 19 1 1 A 56 56 MET CB C 56 34.106 32.885 1.221 1
1 725 . 19 1 1 A 56 56 MET N N 56 118.696 117.866 0.830 1
1 726 . 19 1 1 A 57 57 LYS H H 57 8.249 8.412 -0.163 1
1 727 . 19 1 1 A 57 57 LYS HA H 57 3.996 4.140 -0.144 1
1 736 . 19 1 1 A 57 57 LYS C C 57 172.527 178.519 -5.992 1
1 737 . 19 1 1 A 57 57 LYS CA C 57 60.872 58.436 2.436 1
1 738 . 19 1 1 A 57 57 LYS CB C 57 33.853 32.251 1.602 1
1 742 . 19 1 1 A 57 57 LYS N N 57 119.855 121.147 -1.292 1
1 743 . 19 1 1 A 58 58 SER H H 58 7.729 7.774 -0.045 1
1 744 . 19 1 1 A 58 58 SER HA H 58 4.125 4.423 -0.298 1
1 747 . 19 1 1 A 58 58 SER C C 58 176.527 177.183 -0.656 1
1 748 . 19 1 1 A 58 58 SER CA C 58 63.029 61.025 2.004 1
1 749 . 19 1 1 A 58 58 SER CB C 58 64.686 62.901 1.785 1
1 750 . 19 1 1 A 58 58 SER N N 58 115.984 114.947 1.037 1
1 751 . 19 1 1 A 59 59 LEU H H 59 7.288 8.044 -0.756 1
1 752 . 19 1 1 A 59 59 LEU HA H 59 4.058 3.942 0.116 1
1 762 . 19 1 1 A 59 59 LEU C C 59 175.827 178.574 -2.747 1
1 763 . 19 1 1 A 59 59 LEU CA C 59 57.364 58.085 -0.721 1
1 764 . 19 1 1 A 59 59 LEU CB C 59 42.712 41.776 0.936 1
1 768 . 19 1 1 A 59 59 LEU N N 59 120.622 122.082 -1.460 1
1 769 . 19 1 1 A 60 60 ASP H H 60 7.431 8.099 -0.668 1
1 770 . 19 1 1 A 60 60 ASP HA H 60 4.386 4.425 -0.039 1
1 773 . 19 1 1 A 60 60 ASP C C 60 175.927 178.127 -2.200 1
1 774 . 19 1 1 A 60 60 ASP CA C 60 57.012 56.519 0.493 1
1 775 . 19 1 1 A 60 60 ASP CB C 60 42.351 41.380 0.971 1
1 776 . 19 1 1 A 60 60 ASP N N 60 116.755 118.936 -2.181 1
1 777 . 19 1 1 A 61 61 LYS H H 61 7.243 7.889 -0.646 1
1 778 . 19 1 1 A 61 61 LYS HA H 61 4.223 4.151 0.072 1
1 787 . 19 1 1 A 61 61 LYS C C 61 176.527 177.432 -0.905 1
1 788 . 19 1 1 A 61 61 LYS CA C 61 57.287 58.353 -1.066 1
1 789 . 19 1 1 A 61 61 LYS CB C 61 34.683 32.540 2.143 1
1 793 . 19 1 1 A 61 61 LYS N N 61 119.913 117.646 2.267 1
1 794 . 19 1 1 A 62 62 ASN H H 62 8.725 7.357 1.368 1
1 795 . 19 1 1 A 62 62 ASN HA H 62 4.462 4.900 -0.438 1
1 800 . 19 1 1 A 62 62 ASN C C 62 175.627 176.072 -0.445 1
1 801 . 19 1 1 A 62 62 ASN CA C 62 55.452 52.671 2.781 1
1 802 . 19 1 1 A 62 62 ASN CB C 62 39.336 40.212 -0.876 1
1 803 . 19 1 1 A 62 62 ASN N N 62 120.247 115.659 4.588 1
1 805 . 19 1 1 A 63 63 SER H H 63 8.061 7.949 0.112 1
1 806 . 19 1 1 A 63 63 SER HA H 63 3.957 4.419 -0.462 1
1 809 . 19 1 1 A 63 63 SER C C 63 174.827 174.134 0.693 1
1 810 . 19 1 1 A 63 63 SER CA C 63 62.954 60.138 2.816 1
1 811 . 19 1 1 A 63 63 SER CB C 63 65.586 62.958 2.628 1
1 812 . 19 1 1 A 63 63 SER N N 63 113.249 113.463 -0.214 1
1 813 . 19 1 1 A 64 64 ASP H H 64 8.408 8.625 -0.217 1
1 814 . 19 1 1 A 64 64 ASP HA H 64 4.573 4.748 -0.175 1
1 817 . 19 1 1 A 64 64 ASP C C 64 176.027 175.602 0.425 1
1 818 . 19 1 1 A 64 64 ASP CA C 64 55.789 53.805 1.984 1
1 819 . 19 1 1 A 64 64 ASP CB C 64 42.365 42.024 0.341 1
1 820 . 19 1 1 A 64 64 ASP N N 64 117.587 118.181 -0.594 1
1 821 . 19 1 1 A 65 65 GLN H H 65 7.779 7.441 0.338 1
1 822 . 19 1 1 A 65 65 GLN HA H 65 4.026 4.438 -0.412 1
1 829 . 19 1 1 A 65 65 GLN C C 65 176.827 175.671 1.156 1
1 830 . 19 1 1 A 65 65 GLN CA C 65 58.241 55.470 2.771 1
1 831 . 19 1 1 A 65 65 GLN CB C 65 31.309 29.549 1.760 1
1 833 . 19 1 1 A 65 65 GLN N N 65 121.059 117.913 3.146 1
1 835 . 19 1 1 A 66 66 GLU H H 66 8.365 8.587 -0.222 1
1 836 . 19 1 1 A 66 66 GLU HA H 66 4.320 4.757 -0.437 1
1 841 . 19 1 1 A 66 66 GLU C C 66 176.227 176.155 0.072 1
1 842 . 19 1 1 A 66 66 GLU CA C 66 58.238 56.346 1.892 1
1 843 . 19 1 1 A 66 66 GLU CB C 66 32.567 30.897 1.670 1
1 845 . 19 1 1 A 66 66 GLU N N 66 123.061 121.324 1.737 1
1 846 . 19 1 1 A 67 67 ILE H H 67 9.350 9.184 0.166 1
1 847 . 19 1 1 A 67 67 ILE HA H 67 4.543 4.783 -0.240 1
1 857 . 19 1 1 A 67 67 ILE C C 67 178.127 175.396 2.731 1
1 858 . 19 1 1 A 67 67 ILE CA C 67 61.173 60.028 1.145 1
1 859 . 19 1 1 A 67 67 ILE CB C 67 41.460 41.056 0.404 1
1 863 . 19 1 1 A 67 67 ILE N N 67 121.809 122.845 -1.036 1
1 864 . 19 1 1 A 68 68 ASP H H 68 8.140 8.754 -0.614 1
1 865 . 19 1 1 A 68 68 ASP HA H 68 5.408 5.236 0.172 1
1 868 . 19 1 1 A 68 68 ASP C C 68 176.127 176.517 -0.390 1
1 869 . 19 1 1 A 68 68 ASP CA C 68 53.471 52.436 1.035 1
1 870 . 19 1 1 A 68 68 ASP CB C 68 43.898 41.872 2.026 1
1 871 . 19 1 1 A 68 68 ASP N N 68 122.626 126.052 -3.426 1
1 872 . 19 1 1 A 69 69 PHE H H 69 9.486 9.057 0.429 1
1 873 . 19 1 1 A 69 69 PHE HA H 69 3.397 3.709 -0.312 1
1 880 . 19 1 1 A 69 69 PHE C C 69 174.727 177.608 -2.881 1
1 881 . 19 1 1 A 69 69 PHE CA C 69 63.764 61.419 2.345 1
1 882 . 19 1 1 A 69 69 PHE CB C 69 42.009 39.178 2.831 1
1 883 . 19 1 1 A 69 69 PHE N N 69 118.584 120.463 -1.879 1
1 884 . 19 1 1 A 70 70 LYS H H 70 7.510 8.249 -0.739 1
1 885 . 19 1 1 A 70 70 LYS HA H 70 3.633 3.730 -0.097 1
1 894 . 19 1 1 A 70 70 LYS C C 70 173.627 179.423 -5.796 1
1 895 . 19 1 1 A 70 70 LYS CA C 70 61.940 59.672 2.268 1
1 896 . 19 1 1 A 70 70 LYS CB C 70 33.189 32.000 1.189 1
1 900 . 19 1 1 A 70 70 LYS N N 70 117.327 119.164 -1.837 1
1 901 . 19 1 1 A 71 71 GLU H H 71 8.151 7.744 0.407 1
1 902 . 19 1 1 A 71 71 GLU HA H 71 3.930 4.154 -0.224 1
1 907 . 19 1 1 A 71 71 GLU C C 71 173.127 178.731 -5.604 1
1 908 . 19 1 1 A 71 71 GLU CA C 71 61.000 59.184 1.816 1
1 909 . 19 1 1 A 71 71 GLU CB C 71 31.639 29.588 2.051 1
1 911 . 19 1 1 A 71 71 GLU N N 71 120.925 118.676 2.249 1
1 912 . 19 1 1 A 72 72 TYR H H 72 8.454 7.908 0.546 1
1 913 . 19 1 1 A 72 72 TYR HA H 72 4.047 4.364 -0.317 1
1 920 . 19 1 1 A 72 72 TYR C C 72 177.227 178.120 -0.893 1
1 921 . 19 1 1 A 72 72 TYR CA C 72 62.068 61.184 0.884 1
1 922 . 19 1 1 A 72 72 TYR CB C 72 39.522 38.757 0.765 1
1 923 . 19 1 1 A 72 72 TYR N N 72 123.271 122.837 0.434 1
1 924 . 19 1 1 A 73 73 SER H H 73 7.990 8.386 -0.396 1
1 925 . 19 1 1 A 73 73 SER HA H 73 3.245 4.186 -0.941 1
1 928 . 19 1 1 A 73 73 SER C C 73 174.327 176.662 -2.335 1
1 929 . 19 1 1 A 73 73 SER CA C 73 62.841 61.472 1.369 1
1 930 . 19 1 1 A 73 73 SER CB C 73 64.317 62.356 1.961 1
1 931 . 19 1 1 A 73 73 SER N N 73 115.432 114.545 0.887 1
1 932 . 19 1 1 A 74 74 VAL H H 74 8.112 7.815 0.297 1
1 933 . 19 1 1 A 74 74 VAL HA H 74 3.375 3.805 -0.430 1
1 941 . 19 1 1 A 74 74 VAL C C 74 174.427 178.291 -3.864 1
1 942 . 19 1 1 A 74 74 VAL CA C 74 68.677 65.963 2.714 1
1 943 . 19 1 1 A 74 74 VAL CB C 74 33.164 31.468 1.696 1
1 946 . 19 1 1 A 74 74 VAL N N 74 123.807 119.195 4.612 1
1 947 . 19 1 1 A 75 75 PHE H H 75 8.149 8.312 -0.163 1
1 948 . 19 1 1 A 75 75 PHE HA H 75 3.878 4.208 -0.330 1
1 955 . 19 1 1 A 75 75 PHE C C 75 174.627 176.931 -2.304 1
1 956 . 19 1 1 A 75 75 PHE CA C 75 64.444 61.191 3.253 1
1 957 . 19 1 1 A 75 75 PHE CB C 75 40.823 39.405 1.418 1
1 958 . 19 1 1 A 75 75 PHE N N 75 122.351 123.864 -1.513 1
1 959 . 19 1 1 A 76 76 LEU H H 76 8.141 8.364 -0.223 1
1 960 . 19 1 1 A 76 76 LEU HA H 76 3.648 3.994 -0.346 1
1 970 . 19 1 1 A 76 76 LEU C C 76 173.327 179.127 -5.800 1
1 971 . 19 1 1 A 76 76 LEU CA C 76 59.810 58.030 1.780 1
1 972 . 19 1 1 A 76 76 LEU CB C 76 42.994 41.644 1.350 1
1 976 . 19 1 1 A 76 76 LEU N N 76 116.801 119.881 -3.080 1
1 977 . 19 1 1 A 77 77 THR H H 77 8.005 8.082 -0.077 1
1 978 . 19 1 1 A 77 77 THR HA H 77 3.561 3.764 -0.203 1
1 984 . 19 1 1 A 77 77 THR C C 77 176.427 175.936 0.491 1
1 985 . 19 1 1 A 77 77 THR CA C 77 69.876 66.787 3.089 1
1 986 . 19 1 1 A 77 77 THR CB C 77 71.163 68.552 2.611 1
1 988 . 19 1 1 A 77 77 THR N N 77 116.415 116.002 0.413 1
1 989 . 19 1 1 A 78 78 MET H H 78 8.059 8.634 -0.575 1
1 990 . 19 1 1 A 78 78 MET HA H 78 3.771 4.021 -0.250 1
1 995 . 19 1 1 A 78 78 MET C C 78 172.927 178.638 -5.711 1
1 996 . 19 1 1 A 78 78 MET CA C 78 60.751 58.285 2.466 1
1 997 . 19 1 1 A 78 78 MET CB C 78 33.255 32.101 1.154 1
1 999 . 19 1 1 A 78 78 MET N N 78 120.960 119.792 1.168 1
1 1000 . 19 1 1 A 79 79 LEU H H 79 8.007 8.095 -0.088 1
1 1001 . 19 1 1 A 79 79 LEU HA H 79 3.646 4.008 -0.362 1
1 1011 . 19 1 1 A 79 79 LEU C C 79 174.527 178.159 -3.632 1
1 1012 . 19 1 1 A 79 79 LEU CA C 79 59.756 57.726 2.030 1
1 1013 . 19 1 1 A 79 79 LEU CB C 79 42.961 41.526 1.435 1
1 1017 . 19 1 1 A 79 79 LEU N N 79 120.772 120.730 0.042 1
1 1018 . 19 1 1 A 80 80 CYS H H 80 8.268 8.240 0.028 1
1 1019 . 19 1 1 A 80 80 CYS HA H 80 3.344 2.845 0.499 1
1 1022 . 19 1 1 A 80 80 CYS C C 80 176.127 176.213 -0.086 1
1 1023 . 19 1 1 A 80 80 CYS CA C 80 64.083 62.140 1.943 1
1 1024 . 19 1 1 A 80 80 CYS CB C 80 28.199 26.577 1.622 1
1 1025 . 19 1 1 A 80 80 CYS N N 80 118.257 118.170 0.087 1
1 1026 . 19 1 1 A 81 81 MET H H 81 7.600 8.412 -0.812 1
1 1027 . 19 1 1 A 81 81 MET HA H 81 3.242 4.074 -0.832 1
1 1035 . 19 1 1 A 81 81 MET C C 81 176.227 177.399 -1.172 1
1 1036 . 19 1 1 A 81 81 MET CA C 81 60.091 57.730 2.361 1
1 1037 . 19 1 1 A 81 81 MET CB C 81 34.090 32.175 1.915 1
1 1040 . 19 1 1 A 81 81 MET N N 81 114.515 118.472 -3.957 1
1 1041 . 19 1 1 A 82 82 ALA H H 82 7.299 7.294 0.005 1
1 1042 . 19 1 1 A 82 82 ALA HA H 82 4.121 4.169 -0.048 1
1 1046 . 19 1 1 A 82 82 ALA C C 82 173.827 177.575 -3.748 1
1 1047 . 19 1 1 A 82 82 ALA CA C 82 54.930 53.862 1.068 1
1 1048 . 19 1 1 A 82 82 ALA CB C 82 20.641 18.244 2.397 1
1 1049 . 19 1 1 A 82 82 ALA N N 82 118.977 122.220 -3.243 1
1 1050 . 19 1 1 A 83 83 TYR H H 83 7.623 7.439 0.184 1
1 1051 . 19 1 1 A 83 83 TYR HA H 83 4.771 4.722 0.049 1
1 1058 . 19 1 1 A 83 83 TYR CA C 83 59.333 57.167 2.166 1
1 1059 . 19 1 1 A 83 83 TYR CB C 83 41.599 39.925 1.674 1
1 1060 . 19 1 1 A 83 83 TYR N N 83 113.311 113.347 -0.036 1
1 1061 . 19 1 1 A 84 84 ASN HA H 84 4.534 4.660 -0.126 1
1 1064 . 19 1 1 A 84 84 ASN CA C 84 56.126 53.492 2.634 1
1 1065 . 19 1 1 A 84 84 ASN CB C 84 41.990 39.073 2.917 1
1 1066 . 19 1 1 A 85 85 ASP H H 85 8.681 8.086 0.595 1
1 1067 . 19 1 1 A 85 85 ASP HA H 85 4.086 4.590 -0.504 1
1 1070 . 19 1 1 A 85 85 ASP CA C 85 58.457 56.004 2.453 1
1 1071 . 19 1 1 A 85 85 ASP CB C 85 42.260 40.433 1.827 1
1 1072 . 19 1 1 A 85 85 ASP N N 85 126.079 119.303 6.776 1
1 1073 . 19 1 1 A 86 86 PHE H H 86 8.672 7.859 0.813 1
1 1074 . 19 1 1 A 86 86 PHE HA H 86 3.744 4.067 -0.323 1
1 1081 . 19 1 1 A 86 86 PHE C C 86 176.827 176.230 0.597 1
1 1082 . 19 1 1 A 86 86 PHE CA C 86 62.903 60.730 2.173 1
1 1083 . 19 1 1 A 86 86 PHE CB C 86 41.596 39.125 2.471 1
1 1084 . 19 1 1 A 86 86 PHE N N 86 121.950 121.049 0.901 1
1 1085 . 19 1 1 A 87 87 PHE H H 87 7.225 7.373 -0.148 1
1 1086 . 19 1 1 A 87 87 PHE HA H 87 3.836 4.495 -0.659 1
1 1093 . 19 1 1 A 87 87 PHE C C 87 176.927 174.838 2.089 1
1 1094 . 19 1 1 A 87 87 PHE CA C 87 60.422 58.450 1.972 1
1 1095 . 19 1 1 A 87 87 PHE CB C 87 41.081 39.499 1.582 1
1 1096 . 19 1 1 A 87 87 PHE N N 87 110.928 114.343 -3.415 1
1 1097 . 19 1 1 A 88 88 LEU H H 88 7.130 7.761 -0.631 1
1 1098 . 19 1 1 A 88 88 LEU HA H 88 4.169 4.733 -0.564 1
1 1108 . 19 1 1 A 88 88 LEU C C 88 175.027 176.987 -1.960 1
1 1109 . 19 1 1 A 88 88 LEU CA C 88 56.962 53.101 3.861 1
1 1110 . 19 1 1 A 88 88 LEU CB C 88 44.199 44.320 -0.121 1
1 1114 . 19 1 1 A 88 88 LEU N N 88 119.732 120.327 -0.595 1
1 1115 . 19 1 1 A 89 89 GLU H H 89 8.097 8.890 -0.793 1
1 1116 . 19 1 1 A 89 89 GLU HA H 89 4.087 4.280 -0.193 1
1 1121 . 19 1 1 A 89 89 GLU C C 89 176.427 175.767 0.660 1
1 1122 . 19 1 1 A 89 89 GLU CA C 89 58.216 56.438 1.778 1
1 1123 . 19 1 1 A 89 89 GLU CB C 89 32.309 30.014 2.295 1
1 1125 . 19 1 1 A 89 89 GLU N N 89 121.626 122.581 -0.955 1
1 1126 . 19 1 1 A 90 90 ASP H H 90 8.243 8.045 0.198 1
1 1127 . 19 1 1 A 90 90 ASP HA H 90 4.425 4.313 0.112 1
1 1130 . 19 1 1 A 90 90 ASP C C 90 176.527 176.527 0.000 1
1 1131 . 19 1 1 A 90 90 ASP CA C 90 55.815 55.480 0.335 1
1 1132 . 19 1 1 A 90 90 ASP CB C 90 42.874 40.592 2.282 1
1 1133 . 19 1 1 A 90 90 ASP N N 90 121.280 118.883 2.397 1
1 1134 . 19 1 1 A 91 91 ASN H H 91 8.267 8.144 0.123 1
1 1135 . 19 1 1 A 91 91 ASN HA H 91 4.563 4.359 0.204 1
1 1140 . 19 1 1 A 91 91 ASN C C 91 178.127 175.261 2.866 1
1 1141 . 19 1 1 A 91 91 ASN CA C 91 54.928 56.243 -1.315 1
1 1142 . 19 1 1 A 91 91 ASN CB C 91 40.529 38.971 1.558 1
1 1143 . 19 1 1 A 91 91 ASN N N 91 119.209 118.502 0.707 1
1 14 . 20 1 1 A 2 2 GLU H H 2 8.722 8.666 0.056 1
1 15 . 20 1 1 A 2 2 GLU HA H 2 4.557 4.305 0.252 1
1 20 . 20 1 1 A 2 2 GLU C C 2 175.827 175.853 -0.026 1
1 21 . 20 1 1 A 2 2 GLU CA C 2 58.063 56.873 1.190 1
1 22 . 20 1 1 A 2 2 GLU CB C 2 33.147 29.919 3.228 1
1 24 . 20 1 1 A 2 2 GLU N N 2 124.627 120.452 4.175 1
1 25 . 20 1 1 A 3 3 THR H H 3 8.670 8.110 0.560 1
1 26 . 20 1 1 A 3 3 THR HA H 3 4.616 4.852 -0.236 1
1 31 . 20 1 1 A 3 3 THR CA C 3 61.734 60.140 1.594 1
1 32 . 20 1 1 A 3 3 THR CB C 3 70.590 69.252 1.338 1
1 34 . 20 1 1 A 3 3 THR N N 3 116.274 113.143 3.131 1
1 35 . 20 1 1 A 4 4 PRO HA H 4 4.161 4.386 -0.225 1
1 42 . 20 1 1 A 4 4 PRO C C 4 172.227 178.050 -5.823 1
1 43 . 20 1 1 A 4 4 PRO CA C 4 68.211 65.271 2.940 1
1 44 . 20 1 1 A 4 4 PRO CB C 4 33.796 31.808 1.988 1
1 47 . 20 1 1 A 5 5 LEU H H 5 9.207 7.626 1.581 1
1 48 . 20 1 1 A 5 5 LEU HA H 5 4.038 4.062 -0.024 1
1 58 . 20 1 1 A 5 5 LEU C C 5 174.327 178.462 -4.135 1
1 59 . 20 1 1 A 5 5 LEU CA C 5 59.483 57.042 2.441 1
1 60 . 20 1 1 A 5 5 LEU CB C 5 43.877 41.951 1.926 1
1 64 . 20 1 1 A 5 5 LEU N N 5 119.157 117.457 1.700 1
1 65 . 20 1 1 A 6 6 GLU H H 6 7.661 8.676 -1.015 1
1 66 . 20 1 1 A 6 6 GLU HA H 6 3.755 4.081 -0.326 1
1 71 . 20 1 1 A 6 6 GLU C C 6 172.727 178.134 -5.407 1
1 72 . 20 1 1 A 6 6 GLU CA C 6 61.953 58.994 2.959 1
1 73 . 20 1 1 A 6 6 GLU CB C 6 31.354 28.770 2.584 1
1 75 . 20 1 1 A 6 6 GLU N N 6 119.837 117.262 2.575 1
1 76 . 20 1 1 A 7 7 LYS H H 7 8.430 7.747 0.683 1
1 77 . 20 1 1 A 7 7 LYS HA H 7 3.921 4.414 -0.493 1
1 86 . 20 1 1 A 7 7 LYS C C 7 172.927 179.190 -6.263 1
1 87 . 20 1 1 A 7 7 LYS CA C 7 61.312 59.241 2.071 1
1 88 . 20 1 1 A 7 7 LYS CB C 7 33.861 32.001 1.860 1
1 92 . 20 1 1 A 7 7 LYS N N 7 119.023 119.387 -0.364 1
1 93 . 20 1 1 A 8 8 ALA H H 8 8.079 7.638 0.441 1
1 94 . 20 1 1 A 8 8 ALA HA H 8 4.085 4.073 0.012 1
1 98 . 20 1 1 A 8 8 ALA C C 8 173.027 180.073 -7.046 1
1 99 . 20 1 1 A 8 8 ALA CA C 8 56.967 55.210 1.757 1
1 100 . 20 1 1 A 8 8 ALA CB C 8 20.140 18.661 1.479 1
1 101 . 20 1 1 A 8 8 ALA N N 8 123.824 122.410 1.414 1
1 102 . 20 1 1 A 9 9 LEU H H 9 8.032 7.955 0.077 1
1 103 . 20 1 1 A 9 9 LEU HA H 9 4.061 4.085 -0.024 1
1 113 . 20 1 1 A 9 9 LEU C C 9 172.527 179.523 -6.996 1
1 114 . 20 1 1 A 9 9 LEU CA C 9 60.071 58.188 1.883 1
1 115 . 20 1 1 A 9 9 LEU CB C 9 42.714 41.578 1.136 1
1 119 . 20 1 1 A 9 9 LEU N N 9 118.643 117.926 0.717 1
1 120 . 20 1 1 A 10 10 THR H H 10 8.686 8.136 0.550 1
1 121 . 20 1 1 A 10 10 THR HA H 10 3.798 4.120 -0.322 1
1 126 . 20 1 1 A 10 10 THR C C 10 175.127 177.609 -2.482 1
1 127 . 20 1 1 A 10 10 THR CA C 10 69.282 66.067 3.215 1
1 128 . 20 1 1 A 10 10 THR CB C 10 70.132 67.942 2.190 1
1 130 . 20 1 1 A 10 10 THR N N 10 117.087 110.530 6.557 1
1 131 . 20 1 1 A 11 11 THR H H 11 8.628 8.181 0.447 1
1 132 . 20 1 1 A 11 11 THR HA H 11 3.961 4.036 -0.075 1
1 137 . 20 1 1 A 11 11 THR C C 11 174.427 176.946 -2.519 1
1 138 . 20 1 1 A 11 11 THR CA C 11 68.408 66.476 1.932 1
1 139 . 20 1 1 A 11 11 THR CB C 11 69.107 68.243 0.864 1
1 141 . 20 1 1 A 11 11 THR N N 11 120.770 117.011 3.759 1
1 142 . 20 1 1 A 12 12 MET H H 12 8.390 8.025 0.365 1
1 143 . 20 1 1 A 12 12 MET HA H 12 3.956 4.329 -0.373 1
1 151 . 20 1 1 A 12 12 MET C C 12 175.127 178.423 -3.296 1
1 152 . 20 1 1 A 12 12 MET CA C 12 62.750 58.544 4.206 1
1 153 . 20 1 1 A 12 12 MET CB C 12 34.952 33.150 1.802 1
1 156 . 20 1 1 A 12 12 MET N N 12 124.388 118.841 5.547 1
1 157 . 20 1 1 A 13 13 VAL H H 13 8.104 8.149 -0.045 1
1 158 . 20 1 1 A 13 13 VAL HA H 13 3.576 3.865 -0.289 1
1 166 . 20 1 1 A 13 13 VAL C C 13 175.327 178.183 -2.856 1
1 167 . 20 1 1 A 13 13 VAL CA C 13 68.958 65.781 3.177 1
1 168 . 20 1 1 A 13 13 VAL CB C 13 33.703 31.207 2.496 1
1 171 . 20 1 1 A 13 13 VAL N N 13 121.753 116.698 5.055 1
1 172 . 20 1 1 A 14 14 THR H H 14 9.186 8.163 1.023 1
1 173 . 20 1 1 A 14 14 THR HA H 14 3.774 3.971 -0.197 1
1 178 . 20 1 1 A 14 14 THR C C 14 173.927 176.692 -2.765 1
1 179 . 20 1 1 A 14 14 THR CA C 14 67.955 66.061 1.894 1
1 180 . 20 1 1 A 14 14 THR CB C 14 70.504 68.519 1.985 1
1 182 . 20 1 1 A 14 14 THR N N 14 114.911 116.347 -1.436 1
1 183 . 20 1 1 A 15 15 THR H H 15 8.453 7.963 0.490 1
1 184 . 20 1 1 A 15 15 THR HA H 15 3.859 3.981 -0.122 1
1 190 . 20 1 1 A 15 15 THR C C 15 178.127 176.328 1.799 1
1 191 . 20 1 1 A 15 15 THR CA C 15 69.609 66.992 2.617 1
1 192 . 20 1 1 A 15 15 THR CB C 15 70.511 68.698 1.813 1
1 194 . 20 1 1 A 15 15 THR N N 15 118.791 116.996 1.795 1
1 195 . 20 1 1 A 16 16 PHE H H 16 7.207 8.412 -1.205 1
1 196 . 20 1 1 A 16 16 PHE HA H 16 3.572 4.163 -0.591 1
1 203 . 20 1 1 A 16 16 PHE C C 16 178.527 177.646 0.881 1
1 204 . 20 1 1 A 16 16 PHE CA C 16 64.090 61.646 2.444 1
1 205 . 20 1 1 A 16 16 PHE CB C 16 41.091 38.948 2.143 1
1 206 . 20 1 1 A 16 16 PHE N N 16 121.331 121.891 -0.560 1
1 207 . 20 1 1 A 17 17 HIS H H 17 8.393 8.078 0.315 1
1 208 . 20 1 1 A 17 17 HIS HA H 17 5.329 4.269 1.060 1
1 211 . 20 1 1 A 17 17 HIS C C 17 174.627 177.110 -2.483 1
1 212 . 20 1 1 A 17 17 HIS CA C 17 56.667 60.118 -3.451 1
1 213 . 20 1 1 A 17 17 HIS CB C 17 32.397 29.501 2.896 1
1 214 . 20 1 1 A 17 17 HIS N N 17 117.858 118.584 -0.726 1
1 215 . 20 1 1 A 18 18 LYS H H 18 7.767 7.746 0.021 1
1 216 . 20 1 1 A 18 18 LYS HA H 18 3.553 3.879 -0.326 1
1 225 . 20 1 1 A 18 18 LYS C C 18 175.527 177.132 -1.605 1
1 226 . 20 1 1 A 18 18 LYS CA C 18 61.301 58.190 3.111 1
1 227 . 20 1 1 A 18 18 LYS CB C 18 33.523 32.038 1.485 1
1 231 . 20 1 1 A 18 18 LYS N N 18 120.691 119.600 1.091 1
1 232 . 20 1 1 A 19 19 TYR H H 19 7.079 7.820 -0.741 1
1 233 . 20 1 1 A 19 19 TYR HA H 19 3.993 5.026 -1.033 1
1 240 . 20 1 1 A 19 19 TYR C C 19 174.227 175.796 -1.569 1
1 241 . 20 1 1 A 19 19 TYR CA C 19 61.287 57.606 3.681 1
1 242 . 20 1 1 A 19 19 TYR CB C 19 42.066 39.018 3.048 1
1 243 . 20 1 1 A 19 19 TYR N N 19 114.592 117.241 -2.649 1
1 244 . 20 1 1 A 20 20 SER H H 20 9.708 7.198 2.510 1
1 245 . 20 1 1 A 20 20 SER HA H 20 4.117 4.649 -0.532 1
1 248 . 20 1 1 A 20 20 SER C C 20 175.227 175.011 0.216 1
1 249 . 20 1 1 A 20 20 SER CA C 20 60.135 58.577 1.558 1
1 250 . 20 1 1 A 20 20 SER CB C 20 63.159 63.640 -0.481 1
1 251 . 20 1 1 A 20 20 SER N N 20 121.764 113.609 8.155 1
1 252 . 20 1 1 A 21 21 GLY H H 21 8.146 8.098 0.048 1
1 253 . 20 1 1 A 21 21 GLY HA2 H 21 3.956 3.869 0.087 1
1 254 . 20 1 1 A 21 21 GLY HA3 H 21 3.571 4.140 -0.569 1
1 255 . 20 1 1 A 21 21 GLY C C 21 177.927 175.854 2.073 1
1 256 . 20 1 1 A 21 21 GLY CA C 21 46.646 46.277 0.369 1
1 257 . 20 1 1 A 21 21 GLY N N 21 106.982 109.588 -2.606 1
1 258 . 20 1 1 A 22 22 ARG H H 22 7.007 8.843 -1.836 1
1 259 . 20 1 1 A 22 22 ARG HA H 22 3.815 4.104 -0.289 1
1 266 . 20 1 1 A 22 22 ARG C C 22 175.927 177.024 -1.097 1
1 267 . 20 1 1 A 22 22 ARG CA C 22 60.766 58.134 2.632 1
1 268 . 20 1 1 A 22 22 ARG CB C 22 32.302 29.330 2.972 1
1 271 . 20 1 1 A 22 22 ARG N N 22 118.055 118.147 -0.092 1
1 272 . 20 1 1 A 23 23 GLU H H 23 7.551 8.046 -0.495 1
1 273 . 20 1 1 A 23 23 GLU HA H 23 4.436 4.494 -0.058 1
1 278 . 20 1 1 A 23 23 GLU C C 23 177.727 176.537 1.190 1
1 279 . 20 1 1 A 23 23 GLU CA C 23 56.853 56.392 0.461 1
1 280 . 20 1 1 A 23 23 GLU CB C 23 33.988 32.641 1.347 1
1 282 . 20 1 1 A 23 23 GLU N N 23 114.631 117.388 -2.757 1
1 283 . 20 1 1 A 24 24 GLY H H 24 8.376 7.651 0.725 1
1 284 . 20 1 1 A 24 24 GLY HA2 H 24 3.771 3.972 -0.201 1
1 285 . 20 1 1 A 24 24 GLY HA3 H 24 3.567 4.190 -0.623 1
1 286 . 20 1 1 A 24 24 GLY C C 24 177.127 174.903 2.224 1
1 287 . 20 1 1 A 24 24 GLY CA C 24 47.718 45.456 2.262 1
1 288 . 20 1 1 A 24 24 GLY N N 24 107.626 107.091 0.535 1
1 289 . 20 1 1 A 25 25 SER H H 25 8.443 8.043 0.400 1
1 290 . 20 1 1 A 25 25 SER HA H 25 4.314 4.620 -0.306 1
1 293 . 20 1 1 A 25 25 SER C C 25 175.527 174.945 0.582 1
1 294 . 20 1 1 A 25 25 SER CA C 25 59.146 57.312 1.834 1
1 295 . 20 1 1 A 25 25 SER CB C 25 65.573 61.038 4.535 1
1 296 . 20 1 1 A 25 25 SER N N 25 119.000 116.847 2.153 1
1 297 . 20 1 1 A 26 26 LYS H H 26 8.821 7.729 1.092 1
1 298 . 20 1 1 A 26 26 LYS HA H 26 4.307 3.758 0.549 1
1 307 . 20 1 1 A 26 26 LYS C C 26 176.027 176.087 -0.060 1
1 308 . 20 1 1 A 26 26 LYS CA C 26 59.180 57.866 1.314 1
1 309 . 20 1 1 A 26 26 LYS CB C 26 33.211 31.254 1.957 1
1 313 . 20 1 1 A 26 26 LYS N N 26 126.125 120.955 5.170 1
1 314 . 20 1 1 A 27 27 LEU H H 27 8.237 7.468 0.769 1
1 315 . 20 1 1 A 27 27 LEU HA H 27 4.534 4.107 0.427 1
1 325 . 20 1 1 A 27 27 LEU C C 27 175.627 176.092 -0.465 1
1 326 . 20 1 1 A 27 27 LEU CA C 27 56.384 54.062 2.322 1
1 327 . 20 1 1 A 27 27 LEU CB C 27 44.218 43.847 0.371 1
1 331 . 20 1 1 A 27 27 LEU N N 27 117.484 117.943 -0.459 1
1 332 . 20 1 1 A 28 28 THR H H 28 7.386 7.597 -0.211 1
1 333 . 20 1 1 A 28 28 THR HA H 28 5.517 5.614 -0.097 1
1 338 . 20 1 1 A 28 28 THR C C 28 180.227 172.753 7.474 1
1 339 . 20 1 1 A 28 28 THR CA C 28 61.014 60.073 0.941 1
1 340 . 20 1 1 A 28 28 THR CB C 28 75.348 73.019 2.329 1
1 342 . 20 1 1 A 28 28 THR N N 28 106.230 110.479 -4.249 1
1 343 . 20 1 1 A 29 29 LEU H H 29 8.721 9.059 -0.338 1
1 344 . 20 1 1 A 29 29 LEU HA H 29 4.713 4.971 -0.258 1
1 354 . 20 1 1 A 29 29 LEU C C 29 176.927 175.430 1.497 1
1 355 . 20 1 1 A 29 29 LEU CA C 29 55.163 53.922 1.241 1
1 356 . 20 1 1 A 29 29 LEU CB C 29 46.059 45.072 0.987 1
1 360 . 20 1 1 A 29 29 LEU N N 29 116.728 116.684 0.044 1
1 361 . 20 1 1 A 30 30 SER H H 30 8.866 8.836 0.030 1
1 362 . 20 1 1 A 30 30 SER HA H 30 4.942 4.921 0.021 1
1 365 . 20 1 1 A 30 30 SER C C 30 176.327 175.825 0.502 1
1 366 . 20 1 1 A 30 30 SER CA C 30 59.032 57.550 1.482 1
1 367 . 20 1 1 A 30 30 SER CB C 30 67.150 64.659 2.491 1
1 368 . 20 1 1 A 30 30 SER N N 30 117.110 116.227 0.883 1
1 369 . 20 1 1 A 31 31 ARG H H 31 8.393 8.876 -0.483 1
1 370 . 20 1 1 A 31 31 ARG HA H 31 3.695 3.901 -0.206 1
1 377 . 20 1 1 A 31 31 ARG C C 31 174.127 178.766 -4.639 1
1 378 . 20 1 1 A 31 31 ARG CA C 31 62.776 59.937 2.839 1
1 379 . 20 1 1 A 31 31 ARG CB C 31 31.601 29.863 1.738 1
1 382 . 20 1 1 A 31 31 ARG N N 31 121.109 122.181 -1.072 1
1 383 . 20 1 1 A 32 32 LYS H H 32 8.264 8.051 0.213 1
1 384 . 20 1 1 A 32 32 LYS HA H 32 3.912 4.014 -0.102 1
1 393 . 20 1 1 A 32 32 LYS C C 32 172.827 179.009 -6.182 1
1 394 . 20 1 1 A 32 32 LYS CA C 32 61.591 59.626 1.965 1
1 395 . 20 1 1 A 32 32 LYS CB C 32 34.116 32.478 1.638 1
1 399 . 20 1 1 A 32 32 LYS N N 32 118.536 119.565 -1.029 1
1 400 . 20 1 1 A 33 33 GLU H H 33 7.790 7.763 0.027 1
1 401 . 20 1 1 A 33 33 GLU HA H 33 4.049 4.045 0.004 1
1 406 . 20 1 1 A 33 33 GLU C C 33 174.327 178.968 -4.641 1
1 407 . 20 1 1 A 33 33 GLU CA C 33 60.634 58.841 1.793 1
1 408 . 20 1 1 A 33 33 GLU CB C 33 31.617 29.777 1.840 1
1 410 . 20 1 1 A 33 33 GLU N N 33 121.557 120.288 1.269 1
1 411 . 20 1 1 A 34 34 LEU H H 34 8.388 8.022 0.366 1
1 412 . 20 1 1 A 34 34 LEU HA H 34 3.844 3.771 0.073 1
1 422 . 20 1 1 A 34 34 LEU C C 34 174.927 178.234 -3.307 1
1 423 . 20 1 1 A 34 34 LEU CA C 34 59.173 57.448 1.725 1
1 424 . 20 1 1 A 34 34 LEU CB C 34 42.053 41.571 0.482 1
1 428 . 20 1 1 A 34 34 LEU N N 34 120.999 121.081 -0.082 1
1 429 . 20 1 1 A 35 35 LYS H H 35 7.817 8.090 -0.273 1
1 430 . 20 1 1 A 35 35 LYS HA H 35 3.478 3.751 -0.273 1
1 439 . 20 1 1 A 35 35 LYS C C 35 174.627 178.280 -3.653 1
1 440 . 20 1 1 A 35 35 LYS CA C 35 62.312 59.024 3.288 1
1 441 . 20 1 1 A 35 35 LYS CB C 35 33.814 31.983 1.831 1
1 445 . 20 1 1 A 35 35 LYS N N 35 118.738 118.673 0.065 1
1 446 . 20 1 1 A 36 36 GLU H H 36 7.208 7.563 -0.355 1
1 447 . 20 1 1 A 36 36 GLU HA H 36 3.801 4.031 -0.230 1
1 452 . 20 1 1 A 36 36 GLU C C 36 175.227 178.119 -2.892 1
1 453 . 20 1 1 A 36 36 GLU CA C 36 61.015 58.397 2.618 1
1 454 . 20 1 1 A 36 36 GLU CB C 36 30.770 29.858 0.912 1
1 456 . 20 1 1 A 36 36 GLU N N 36 118.771 118.766 0.005 1
1 457 . 20 1 1 A 37 37 LEU H H 37 8.038 8.027 0.011 1
1 458 . 20 1 1 A 37 37 LEU HA H 37 3.178 3.318 -0.140 1
1 468 . 20 1 1 A 37 37 LEU C C 37 172.927 178.016 -5.089 1
1 469 . 20 1 1 A 37 37 LEU CA C 37 60.915 58.156 2.759 1
1 470 . 20 1 1 A 37 37 LEU CB C 37 43.352 41.155 2.197 1
1 474 . 20 1 1 A 37 37 LEU N N 37 121.767 120.486 1.281 1
1 475 . 20 1 1 A 38 38 ILE H H 38 8.224 7.680 0.544 1
1 476 . 20 1 1 A 38 38 ILE HA H 38 3.234 3.584 -0.350 1
1 486 . 20 1 1 A 38 38 ILE C C 38 174.727 178.470 -3.743 1
1 487 . 20 1 1 A 38 38 ILE CA C 38 66.464 65.371 1.093 1
1 488 . 20 1 1 A 38 38 ILE CB C 38 38.799 37.613 1.186 1
1 492 . 20 1 1 A 38 38 ILE N N 38 119.417 120.119 -0.702 1
1 493 . 20 1 1 A 39 39 LYS H H 39 7.700 7.516 0.184 1
1 494 . 20 1 1 A 39 39 LYS HA H 39 3.894 4.266 -0.372 1
1 503 . 20 1 1 A 39 39 LYS C C 39 173.727 178.025 -4.298 1
1 504 . 20 1 1 A 39 39 LYS CA C 39 61.015 58.534 2.481 1
1 505 . 20 1 1 A 39 39 LYS CB C 39 34.100 32.094 2.006 1
1 509 . 20 1 1 A 39 39 LYS N N 39 117.277 119.222 -1.945 1
1 510 . 20 1 1 A 40 40 LYS H H 40 8.170 7.946 0.224 1
1 511 . 20 1 1 A 40 40 LYS HA H 40 4.226 4.185 0.041 1
1 520 . 20 1 1 A 40 40 LYS C C 40 173.427 179.260 -5.833 1
1 521 . 20 1 1 A 40 40 LYS CA C 40 59.251 58.809 0.442 1
1 522 . 20 1 1 A 40 40 LYS CB C 40 35.528 33.164 2.364 1
1 526 . 20 1 1 A 40 40 LYS N N 40 115.146 118.221 -3.075 1
1 527 . 20 1 1 A 41 41 GLU H H 41 8.778 8.870 -0.092 1
1 528 . 20 1 1 A 41 41 GLU HA H 41 4.629 4.251 0.378 1
1 533 . 20 1 1 A 41 41 GLU C C 41 175.527 175.888 -0.361 1
1 534 . 20 1 1 A 41 41 GLU CA C 41 57.177 58.776 -1.599 1
1 535 . 20 1 1 A 41 41 GLU CB C 41 31.656 28.773 2.883 1
1 537 . 20 1 1 A 41 41 GLU N N 41 113.604 117.684 -4.080 1
1 538 . 20 1 1 A 42 42 LEU H H 42 7.610 7.548 0.062 1
1 539 . 20 1 1 A 42 42 LEU HA H 42 4.475 4.852 -0.377 1
1 549 . 20 1 1 A 42 42 LEU C C 42 177.227 176.075 1.152 1
1 550 . 20 1 1 A 42 42 LEU CA C 42 56.047 53.692 2.355 1
1 551 . 20 1 1 A 42 42 LEU CB C 42 45.748 44.252 1.496 1
1 555 . 20 1 1 A 42 42 LEU N N 42 118.997 120.023 -1.026 1
1 556 . 20 1 1 A 43 43 CYS H H 43 8.501 8.763 -0.262 1
1 557 . 20 1 1 A 43 43 CYS HA H 43 4.397 4.814 -0.417 1
1 560 . 20 1 1 A 43 43 CYS C C 43 177.327 174.825 2.502 1
1 561 . 20 1 1 A 43 43 CYS CA C 43 60.023 58.024 1.999 1
1 562 . 20 1 1 A 43 43 CYS CB C 43 27.915 27.785 0.130 1
1 563 . 20 1 1 A 43 43 CYS N N 43 119.622 123.138 -3.516 1
1 564 . 20 1 1 A 44 44 LEU H H 44 8.200 8.635 -0.435 1
1 565 . 20 1 1 A 44 44 LEU HA H 44 3.979 4.275 -0.296 1
1 575 . 20 1 1 A 44 44 LEU C C 44 173.927 176.973 -3.046 1
1 576 . 20 1 1 A 44 44 LEU CA C 44 57.244 55.164 2.080 1
1 577 . 20 1 1 A 44 44 LEU CB C 44 43.622 42.225 1.397 1
1 581 . 20 1 1 A 44 44 LEU N N 44 121.955 125.814 -3.859 1
1 582 . 20 1 1 A 45 45 GLY H H 45 8.244 7.868 0.376 1
1 583 . 20 1 1 A 45 45 GLY HA2 H 45 3.849 4.044 -0.195 1
1 584 . 20 1 1 A 45 45 GLY HA3 H 45 3.789 4.219 -0.430 1
1 585 . 20 1 1 A 45 45 GLY C C 45 178.027 172.950 5.077 1
1 586 . 20 1 1 A 45 45 GLY CA C 45 47.023 45.022 2.001 1
1 587 . 20 1 1 A 45 45 GLY N N 45 107.702 106.334 1.368 1
1 588 . 20 1 1 A 46 46 GLU H H 46 8.286 8.286 0.000 1
1 589 . 20 1 1 A 46 46 GLU HA H 46 4.039 5.178 -1.139 1
1 594 . 20 1 1 A 46 46 GLU C C 46 175.127 173.985 1.142 1
1 595 . 20 1 1 A 46 46 GLU CA C 46 59.176 54.441 4.735 1
1 596 . 20 1 1 A 46 46 GLU CB C 46 31.361 33.112 -1.751 1
1 598 . 20 1 1 A 46 46 GLU N N 46 119.602 117.657 1.945 1
1 599 . 20 1 1 A 47 47 MET H H 47 8.048 8.749 -0.701 1
1 600 . 20 1 1 A 47 47 MET HA H 47 4.229 4.962 -0.733 1
1 608 . 20 1 1 A 47 47 MET C C 47 175.727 175.897 -0.170 1
1 609 . 20 1 1 A 47 47 MET CA C 47 58.183 53.893 4.290 1
1 610 . 20 1 1 A 47 47 MET CB C 47 34.087 35.651 -1.564 1
1 613 . 20 1 1 A 47 47 MET N N 47 119.617 121.195 -1.578 1
1 614 . 20 1 1 A 48 48 LYS H H 48 8.221 8.729 -0.508 1
1 615 . 20 1 1 A 48 48 LYS HA H 48 4.217 3.902 0.315 1
1 624 . 20 1 1 A 48 48 LYS C C 48 174.927 176.099 -1.172 1
1 625 . 20 1 1 A 48 48 LYS CA C 48 58.304 57.102 1.202 1
1 626 . 20 1 1 A 48 48 LYS CB C 48 34.548 31.047 3.501 1
1 630 . 20 1 1 A 48 48 LYS N N 48 120.987 119.688 1.299 1
1 631 . 20 1 1 A 49 49 GLU H H 49 8.346 8.298 0.048 1
1 632 . 20 1 1 A 49 49 GLU HA H 49 3.922 4.307 -0.385 1
1 637 . 20 1 1 A 49 49 GLU C C 49 174.427 176.442 -2.015 1
1 638 . 20 1 1 A 49 49 GLU CA C 49 60.298 57.165 3.133 1
1 639 . 20 1 1 A 49 49 GLU CB C 49 31.065 30.355 0.710 1
1 641 . 20 1 1 A 49 49 GLU N N 49 121.867 127.126 -5.259 1
1 642 . 20 1 1 A 50 50 SER H H 50 8.348 9.004 -0.656 1
1 643 . 20 1 1 A 50 50 SER HA H 50 4.172 4.537 -0.365 1
1 647 . 20 1 1 A 50 50 SER C C 50 176.027 174.028 1.999 1
1 648 . 20 1 1 A 50 50 SER CA C 50 62.548 59.912 2.636 1
1 649 . 20 1 1 A 50 50 SER CB C 50 64.840 62.669 2.171 1
1 650 . 20 1 1 A 50 50 SER N N 50 115.695 119.634 -3.939 1
1 651 . 20 1 1 A 51 51 SER H H 51 7.980 9.075 -1.095 1
1 652 . 20 1 1 A 51 51 SER HA H 51 4.258 4.355 -0.097 1
1 655 . 20 1 1 A 51 51 SER C C 51 174.427 174.969 -0.542 1
1 656 . 20 1 1 A 51 51 SER CA C 51 62.828 59.960 2.868 1
1 657 . 20 1 1 A 51 51 SER CB C 51 64.749 62.859 1.890 1
1 658 . 20 1 1 A 51 51 SER N N 51 117.126 120.685 -3.559 1
1 659 . 20 1 1 A 52 52 ILE H H 52 7.365 8.452 -1.087 1
1 660 . 20 1 1 A 52 52 ILE HA H 52 4.038 3.902 0.136 1
1 670 . 20 1 1 A 52 52 ILE C C 52 175.627 177.537 -1.910 1
1 671 . 20 1 1 A 52 52 ILE CA C 52 64.609 64.323 0.286 1
1 672 . 20 1 1 A 52 52 ILE CB C 52 39.272 37.290 1.982 1
1 676 . 20 1 1 A 52 52 ILE N N 52 117.484 118.567 -1.083 1
1 677 . 20 1 1 A 53 53 ASP H H 53 7.681 8.355 -0.674 1
1 678 . 20 1 1 A 53 53 ASP HA H 53 4.214 4.337 -0.123 1
1 681 . 20 1 1 A 53 53 ASP C C 53 174.027 177.684 -3.657 1
1 682 . 20 1 1 A 53 53 ASP CA C 53 59.799 57.919 1.880 1
1 683 . 20 1 1 A 53 53 ASP CB C 53 42.927 41.483 1.444 1
1 684 . 20 1 1 A 53 53 ASP N N 53 121.969 121.121 0.848 1
1 685 . 20 1 1 A 54 54 ASP H H 54 8.227 7.549 0.678 1
1 686 . 20 1 1 A 54 54 ASP HA H 54 4.231 4.409 -0.178 1
1 689 . 20 1 1 A 54 54 ASP C C 54 172.927 178.806 -5.879 1
1 690 . 20 1 1 A 54 54 ASP CA C 54 59.507 56.480 3.027 1
1 691 . 20 1 1 A 54 54 ASP CB C 54 41.818 40.664 1.154 1
1 692 . 20 1 1 A 54 54 ASP N N 54 118.083 119.145 -1.062 1
1 693 . 20 1 1 A 55 55 LEU H H 55 7.650 7.545 0.105 1
1 694 . 20 1 1 A 55 55 LEU HA H 55 4.016 3.840 0.176 1
1 704 . 20 1 1 A 55 55 LEU C C 55 171.927 178.979 -7.052 1
1 705 . 20 1 1 A 55 55 LEU CA C 55 59.965 57.800 2.165 1
1 706 . 20 1 1 A 55 55 LEU CB C 55 43.370 41.703 1.667 1
1 710 . 20 1 1 A 55 55 LEU N N 55 121.634 119.584 2.050 1
1 711 . 20 1 1 A 56 56 MET H H 56 8.429 8.462 -0.033 1
1 712 . 20 1 1 A 56 56 MET HA H 56 4.325 4.282 0.043 1
1 720 . 20 1 1 A 56 56 MET C C 56 172.527 178.913 -6.386 1
1 721 . 20 1 1 A 56 56 MET CA C 56 59.221 59.279 -0.058 1
1 722 . 20 1 1 A 56 56 MET CB C 56 34.106 32.873 1.233 1
1 725 . 20 1 1 A 56 56 MET N N 56 118.696 116.621 2.075 1
1 726 . 20 1 1 A 57 57 LYS H H 57 8.249 8.476 -0.227 1
1 727 . 20 1 1 A 57 57 LYS HA H 57 3.996 4.184 -0.188 1
1 736 . 20 1 1 A 57 57 LYS C C 57 172.527 179.643 -7.116 1
1 737 . 20 1 1 A 57 57 LYS CA C 57 60.872 59.095 1.777 1
1 738 . 20 1 1 A 57 57 LYS CB C 57 33.853 32.149 1.704 1
1 742 . 20 1 1 A 57 57 LYS N N 57 119.855 119.396 0.459 1
1 743 . 20 1 1 A 58 58 SER H H 58 7.729 8.388 -0.659 1
1 744 . 20 1 1 A 58 58 SER HA H 58 4.125 4.303 -0.178 1
1 747 . 20 1 1 A 58 58 SER C C 58 176.527 176.717 -0.190 1
1 748 . 20 1 1 A 58 58 SER CA C 58 63.029 61.721 1.308 1
1 749 . 20 1 1 A 58 58 SER CB C 58 64.686 63.069 1.617 1
1 750 . 20 1 1 A 58 58 SER N N 58 115.984 116.944 -0.960 1
1 751 . 20 1 1 A 59 59 LEU H H 59 7.288 7.830 -0.542 1
1 752 . 20 1 1 A 59 59 LEU HA H 59 4.058 4.002 0.056 1
1 762 . 20 1 1 A 59 59 LEU C C 59 175.827 179.033 -3.206 1
1 763 . 20 1 1 A 59 59 LEU CA C 59 57.364 58.143 -0.779 1
1 764 . 20 1 1 A 59 59 LEU CB C 59 42.712 41.556 1.156 1
1 768 . 20 1 1 A 59 59 LEU N N 59 120.622 122.307 -1.685 1
1 769 . 20 1 1 A 60 60 ASP H H 60 7.431 8.327 -0.896 1
1 770 . 20 1 1 A 60 60 ASP HA H 60 4.386 4.437 -0.051 1
1 773 . 20 1 1 A 60 60 ASP C C 60 175.927 179.205 -3.278 1
1 774 . 20 1 1 A 60 60 ASP CA C 60 57.012 57.349 -0.337 1
1 775 . 20 1 1 A 60 60 ASP CB C 60 42.351 40.116 2.235 1
1 776 . 20 1 1 A 60 60 ASP N N 60 116.755 119.010 -2.255 1
1 777 . 20 1 1 A 61 61 LYS H H 61 7.243 8.217 -0.974 1
1 778 . 20 1 1 A 61 61 LYS HA H 61 4.223 4.083 0.140 1
1 787 . 20 1 1 A 61 61 LYS C C 61 176.527 177.581 -1.054 1
1 788 . 20 1 1 A 61 61 LYS CA C 61 57.287 58.432 -1.145 1
1 789 . 20 1 1 A 61 61 LYS CB C 61 34.683 32.158 2.525 1
1 793 . 20 1 1 A 61 61 LYS N N 61 119.913 119.484 0.429 1
1 794 . 20 1 1 A 62 62 ASN H H 62 8.725 7.612 1.113 1
1 795 . 20 1 1 A 62 62 ASN HA H 62 4.462 4.876 -0.414 1
1 800 . 20 1 1 A 62 62 ASN C C 62 175.627 176.307 -0.680 1
1 801 . 20 1 1 A 62 62 ASN CA C 62 55.452 53.474 1.978 1
1 802 . 20 1 1 A 62 62 ASN CB C 62 39.336 40.638 -1.302 1
1 803 . 20 1 1 A 62 62 ASN N N 62 120.247 115.906 4.341 1
1 805 . 20 1 1 A 63 63 SER H H 63 8.061 8.544 -0.483 1
1 806 . 20 1 1 A 63 63 SER HA H 63 3.957 4.395 -0.438 1
1 809 . 20 1 1 A 63 63 SER C C 63 174.827 173.947 0.880 1
1 810 . 20 1 1 A 63 63 SER CA C 63 62.954 60.392 2.562 1
1 811 . 20 1 1 A 63 63 SER CB C 63 65.586 62.863 2.723 1
1 812 . 20 1 1 A 63 63 SER N N 63 113.249 113.978 -0.729 1
1 813 . 20 1 1 A 64 64 ASP H H 64 8.408 8.662 -0.254 1
1 814 . 20 1 1 A 64 64 ASP HA H 64 4.573 4.741 -0.168 1
1 817 . 20 1 1 A 64 64 ASP C C 64 176.027 174.293 1.734 1
1 818 . 20 1 1 A 64 64 ASP CA C 64 55.789 53.931 1.858 1
1 819 . 20 1 1 A 64 64 ASP CB C 64 42.365 41.490 0.875 1
1 820 . 20 1 1 A 64 64 ASP N N 64 117.587 119.155 -1.568 1
1 821 . 20 1 1 A 65 65 GLN H H 65 7.779 7.738 0.041 1
1 822 . 20 1 1 A 65 65 GLN HA H 65 4.026 4.865 -0.839 1
1 829 . 20 1 1 A 65 65 GLN C C 65 176.827 175.075 1.752 1
1 830 . 20 1 1 A 65 65 GLN CA C 65 58.241 54.416 3.825 1
1 831 . 20 1 1 A 65 65 GLN CB C 65 31.309 33.318 -2.009 1
1 833 . 20 1 1 A 65 65 GLN N N 65 121.059 116.223 4.836 1
1 835 . 20 1 1 A 66 66 GLU H H 66 8.365 8.579 -0.214 1
1 836 . 20 1 1 A 66 66 GLU HA H 66 4.320 4.978 -0.658 1
1 841 . 20 1 1 A 66 66 GLU C C 66 176.227 176.635 -0.408 1
1 842 . 20 1 1 A 66 66 GLU CA C 66 58.238 56.429 1.809 1
1 843 . 20 1 1 A 66 66 GLU CB C 66 32.567 30.979 1.588 1
1 845 . 20 1 1 A 66 66 GLU N N 66 123.061 121.430 1.631 1
1 846 . 20 1 1 A 67 67 ILE H H 67 9.350 9.194 0.156 1
1 847 . 20 1 1 A 67 67 ILE HA H 67 4.543 5.014 -0.471 1
1 857 . 20 1 1 A 67 67 ILE C C 67 178.127 175.192 2.935 1
1 858 . 20 1 1 A 67 67 ILE CA C 67 61.173 58.865 2.308 1
1 859 . 20 1 1 A 67 67 ILE CB C 67 41.460 42.148 -0.688 1
1 863 . 20 1 1 A 67 67 ILE N N 67 121.809 119.036 2.773 1
1 864 . 20 1 1 A 68 68 ASP H H 68 8.140 8.585 -0.445 1
1 865 . 20 1 1 A 68 68 ASP HA H 68 5.408 5.192 0.216 1
1 868 . 20 1 1 A 68 68 ASP C C 68 176.127 176.334 -0.207 1
1 869 . 20 1 1 A 68 68 ASP CA C 68 53.471 52.531 0.940 1
1 870 . 20 1 1 A 68 68 ASP CB C 68 43.898 42.050 1.848 1
1 871 . 20 1 1 A 68 68 ASP N N 68 122.626 122.636 -0.010 1
1 872 . 20 1 1 A 69 69 PHE H H 69 9.486 9.253 0.233 1
1 873 . 20 1 1 A 69 69 PHE HA H 69 3.397 4.209 -0.812 1
1 880 . 20 1 1 A 69 69 PHE C C 69 174.727 177.564 -2.837 1
1 881 . 20 1 1 A 69 69 PHE CA C 69 63.764 61.472 2.292 1
1 882 . 20 1 1 A 69 69 PHE CB C 69 42.009 39.585 2.424 1
1 883 . 20 1 1 A 69 69 PHE N N 69 118.584 120.657 -2.073 1
1 884 . 20 1 1 A 70 70 LYS H H 70 7.510 8.575 -1.065 1
1 885 . 20 1 1 A 70 70 LYS HA H 70 3.633 4.108 -0.475 1
1 894 . 20 1 1 A 70 70 LYS C C 70 173.627 179.086 -5.459 1
1 895 . 20 1 1 A 70 70 LYS CA C 70 61.940 59.514 2.426 1
1 896 . 20 1 1 A 70 70 LYS CB C 70 33.189 32.303 0.886 1
1 900 . 20 1 1 A 70 70 LYS N N 70 117.327 119.815 -2.488 1
1 901 . 20 1 1 A 71 71 GLU H H 71 8.151 8.019 0.132 1
1 902 . 20 1 1 A 71 71 GLU HA H 71 3.930 4.079 -0.149 1
1 907 . 20 1 1 A 71 71 GLU C C 71 173.127 178.651 -5.524 1
1 908 . 20 1 1 A 71 71 GLU CA C 71 61.000 59.251 1.749 1
1 909 . 20 1 1 A 71 71 GLU CB C 71 31.639 29.553 2.086 1
1 911 . 20 1 1 A 71 71 GLU N N 71 120.925 118.220 2.705 1
1 912 . 20 1 1 A 72 72 TYR H H 72 8.454 7.984 0.470 1
1 913 . 20 1 1 A 72 72 TYR HA H 72 4.047 4.142 -0.095 1
1 920 . 20 1 1 A 72 72 TYR C C 72 177.227 177.898 -0.671 1
1 921 . 20 1 1 A 72 72 TYR CA C 72 62.068 61.059 1.009 1
1 922 . 20 1 1 A 72 72 TYR CB C 72 39.522 38.613 0.909 1
1 923 . 20 1 1 A 72 72 TYR N N 72 123.271 122.612 0.659 1
1 924 . 20 1 1 A 73 73 SER H H 73 7.990 8.381 -0.391 1
1 925 . 20 1 1 A 73 73 SER HA H 73 3.245 4.015 -0.770 1
1 928 . 20 1 1 A 73 73 SER C C 73 174.327 176.654 -2.327 1
1 929 . 20 1 1 A 73 73 SER CA C 73 62.841 61.345 1.496 1
1 930 . 20 1 1 A 73 73 SER CB C 73 64.317 62.386 1.931 1
1 931 . 20 1 1 A 73 73 SER N N 73 115.432 114.377 1.055 1
1 932 . 20 1 1 A 74 74 VAL H H 74 8.112 8.051 0.061 1
1 933 . 20 1 1 A 74 74 VAL HA H 74 3.375 3.779 -0.404 1
1 941 . 20 1 1 A 74 74 VAL C C 74 174.427 178.214 -3.787 1
1 942 . 20 1 1 A 74 74 VAL CA C 74 68.677 65.910 2.767 1
1 943 . 20 1 1 A 74 74 VAL CB C 74 33.164 31.370 1.794 1
1 946 . 20 1 1 A 74 74 VAL N N 74 123.807 119.197 4.610 1
1 947 . 20 1 1 A 75 75 PHE H H 75 8.149 8.091 0.058 1
1 948 . 20 1 1 A 75 75 PHE HA H 75 3.878 4.181 -0.303 1
1 955 . 20 1 1 A 75 75 PHE C C 75 174.627 177.274 -2.647 1
1 956 . 20 1 1 A 75 75 PHE CA C 75 64.444 61.194 3.250 1
1 957 . 20 1 1 A 75 75 PHE CB C 75 40.823 39.340 1.483 1
1 958 . 20 1 1 A 75 75 PHE N N 75 122.351 123.820 -1.469 1
1 959 . 20 1 1 A 76 76 LEU H H 76 8.141 8.474 -0.333 1
1 960 . 20 1 1 A 76 76 LEU HA H 76 3.648 3.918 -0.270 1
1 970 . 20 1 1 A 76 76 LEU C C 76 173.327 179.083 -5.756 1
1 971 . 20 1 1 A 76 76 LEU CA C 76 59.810 58.261 1.549 1
1 972 . 20 1 1 A 76 76 LEU CB C 76 42.994 41.800 1.194 1
1 976 . 20 1 1 A 76 76 LEU N N 76 116.801 119.739 -2.938 1
1 977 . 20 1 1 A 77 77 THR H H 77 8.005 8.045 -0.040 1
1 978 . 20 1 1 A 77 77 THR HA H 77 3.561 3.776 -0.215 1
1 984 . 20 1 1 A 77 77 THR C C 77 176.427 175.721 0.706 1
1 985 . 20 1 1 A 77 77 THR CA C 77 69.876 66.430 3.446 1
1 986 . 20 1 1 A 77 77 THR CB C 77 71.163 68.642 2.521 1
1 988 . 20 1 1 A 77 77 THR N N 77 116.415 114.652 1.763 1
1 989 . 20 1 1 A 78 78 MET H H 78 8.059 8.620 -0.561 1
1 990 . 20 1 1 A 78 78 MET HA H 78 3.771 3.953 -0.182 1
1 995 . 20 1 1 A 78 78 MET C C 78 172.927 178.414 -5.487 1
1 996 . 20 1 1 A 78 78 MET CA C 78 60.751 58.366 2.385 1
1 997 . 20 1 1 A 78 78 MET CB C 78 33.255 32.042 1.213 1
1 999 . 20 1 1 A 78 78 MET N N 78 120.960 119.773 1.187 1
1 1000 . 20 1 1 A 79 79 LEU H H 79 8.007 8.070 -0.063 1
1 1001 . 20 1 1 A 79 79 LEU HA H 79 3.646 4.011 -0.365 1
1 1011 . 20 1 1 A 79 79 LEU C C 79 174.527 178.197 -3.670 1
1 1012 . 20 1 1 A 79 79 LEU CA C 79 59.756 57.556 2.200 1
1 1013 . 20 1 1 A 79 79 LEU CB C 79 42.961 41.841 1.120 1
1 1017 . 20 1 1 A 79 79 LEU N N 79 120.772 120.580 0.192 1
1 1018 . 20 1 1 A 80 80 CYS H H 80 8.268 8.219 0.049 1
1 1019 . 20 1 1 A 80 80 CYS HA H 80 3.344 3.599 -0.255 1
1 1022 . 20 1 1 A 80 80 CYS C C 80 176.127 176.999 -0.872 1
1 1023 . 20 1 1 A 80 80 CYS CA C 80 64.083 62.392 1.691 1
1 1024 . 20 1 1 A 80 80 CYS CB C 80 28.199 26.589 1.610 1
1 1025 . 20 1 1 A 80 80 CYS N N 80 118.257 118.658 -0.401 1
1 1026 . 20 1 1 A 81 81 MET H H 81 7.600 8.553 -0.953 1
1 1027 . 20 1 1 A 81 81 MET HA H 81 3.242 4.503 -1.261 1
1 1035 . 20 1 1 A 81 81 MET C C 81 176.227 177.508 -1.281 1
1 1036 . 20 1 1 A 81 81 MET CA C 81 60.091 57.410 2.681 1
1 1037 . 20 1 1 A 81 81 MET CB C 81 34.090 31.303 2.787 1
1 1040 . 20 1 1 A 81 81 MET N N 81 114.515 119.291 -4.776 1
1 1041 . 20 1 1 A 82 82 ALA H H 82 7.299 7.270 0.029 1
1 1042 . 20 1 1 A 82 82 ALA HA H 82 4.121 4.113 0.008 1
1 1046 . 20 1 1 A 82 82 ALA C C 82 173.827 177.342 -3.515 1
1 1047 . 20 1 1 A 82 82 ALA CA C 82 54.930 54.097 0.833 1
1 1048 . 20 1 1 A 82 82 ALA CB C 82 20.641 18.675 1.966 1
1 1049 . 20 1 1 A 82 82 ALA N N 82 118.977 120.906 -1.929 1
1 1050 . 20 1 1 A 83 83 TYR H H 83 7.623 7.384 0.239 1
1 1051 . 20 1 1 A 83 83 TYR HA H 83 4.771 4.749 0.022 1
1 1058 . 20 1 1 A 83 83 TYR CA C 83 59.333 57.291 2.042 1
1 1059 . 20 1 1 A 83 83 TYR CB C 83 41.599 40.595 1.004 1
1 1060 . 20 1 1 A 83 83 TYR N N 83 113.311 112.945 0.366 1
1 1061 . 20 1 1 A 84 84 ASN HA H 84 4.534 4.332 0.202 1
1 1064 . 20 1 1 A 84 84 ASN CA C 84 56.126 53.313 2.813 1
1 1065 . 20 1 1 A 84 84 ASN CB C 84 41.990 39.018 2.972 1
1 1066 . 20 1 1 A 85 85 ASP H H 85 8.681 8.134 0.547 1
1 1067 . 20 1 1 A 85 85 ASP HA H 85 4.086 4.271 -0.185 1
1 1070 . 20 1 1 A 85 85 ASP CA C 85 58.457 54.344 4.113 1
1 1071 . 20 1 1 A 85 85 ASP CB C 85 42.260 40.841 1.419 1
1 1072 . 20 1 1 A 85 85 ASP N N 85 126.079 120.792 5.287 1
1 1073 . 20 1 1 A 86 86 PHE H H 86 8.672 7.356 1.316 1
1 1074 . 20 1 1 A 86 86 PHE HA H 86 3.744 4.631 -0.887 1
1 1081 . 20 1 1 A 86 86 PHE C C 86 176.827 176.409 0.418 1
1 1082 . 20 1 1 A 86 86 PHE CA C 86 62.903 59.759 3.144 1
1 1083 . 20 1 1 A 86 86 PHE CB C 86 41.596 38.398 3.198 1
1 1084 . 20 1 1 A 86 86 PHE N N 86 121.950 117.680 4.270 1
1 1085 . 20 1 1 A 87 87 PHE H H 87 7.225 7.806 -0.581 1
1 1086 . 20 1 1 A 87 87 PHE HA H 87 3.836 4.784 -0.948 1
1 1093 . 20 1 1 A 87 87 PHE C C 87 176.927 175.494 1.433 1
1 1094 . 20 1 1 A 87 87 PHE CA C 87 60.422 56.664 3.758 1
1 1095 . 20 1 1 A 87 87 PHE CB C 87 41.081 39.413 1.668 1
1 1096 . 20 1 1 A 87 87 PHE N N 87 110.928 114.508 -3.580 1
1 1097 . 20 1 1 A 88 88 LEU H H 88 7.130 7.361 -0.231 1
1 1098 . 20 1 1 A 88 88 LEU HA H 88 4.169 4.081 0.088 1
1 1108 . 20 1 1 A 88 88 LEU C C 88 175.027 177.031 -2.004 1
1 1109 . 20 1 1 A 88 88 LEU CA C 88 56.962 54.212 2.750 1
1 1110 . 20 1 1 A 88 88 LEU CB C 88 44.199 43.206 0.993 1
1 1114 . 20 1 1 A 88 88 LEU N N 88 119.732 118.528 1.204 1
1 1115 . 20 1 1 A 89 89 GLU H H 89 8.097 8.858 -0.761 1
1 1116 . 20 1 1 A 89 89 GLU HA H 89 4.087 4.229 -0.142 1
1 1121 . 20 1 1 A 89 89 GLU C C 89 176.427 175.550 0.877 1
1 1122 . 20 1 1 A 89 89 GLU CA C 89 58.216 58.610 -0.394 1
1 1123 . 20 1 1 A 89 89 GLU CB C 89 32.309 30.508 1.801 1
1 1125 . 20 1 1 A 89 89 GLU N N 89 121.626 120.209 1.417 1
1 1126 . 20 1 1 A 90 90 ASP H H 90 8.243 7.578 0.665 1
1 1127 . 20 1 1 A 90 90 ASP HA H 90 4.425 4.918 -0.493 1
1 1130 . 20 1 1 A 90 90 ASP C C 90 176.527 173.894 2.633 1
1 1131 . 20 1 1 A 90 90 ASP CA C 90 55.815 53.442 2.373 1
1 1132 . 20 1 1 A 90 90 ASP CB C 90 42.874 43.995 -1.121 1
1 1133 . 20 1 1 A 90 90 ASP N N 90 121.280 117.809 3.471 1
1 1134 . 20 1 1 A 91 91 ASN H H 91 8.267 8.536 -0.269 1
1 1135 . 20 1 1 A 91 91 ASN HA H 91 4.563 4.993 -0.430 1
1 1140 . 20 1 1 A 91 91 ASN C C 91 178.127 174.771 3.356 1
1 1141 . 20 1 1 A 91 91 ASN CA C 91 54.928 52.519 2.409 1
1 1142 . 20 1 1 A 91 91 ASN CB C 91 40.529 39.753 0.776 1
1 1143 . 20 1 1 A 91 91 ASN N N 91 119.209 119.495 -0.286 1
1 14 . 21 1 1 A 2 2 GLU H H 2 8.722 8.538 0.184 1
1 15 . 21 1 1 A 2 2 GLU HA H 2 4.557 3.905 0.652 1
1 20 . 21 1 1 A 2 2 GLU C C 2 175.827 175.474 0.353 1
1 21 . 21 1 1 A 2 2 GLU CA C 2 58.063 59.004 -0.941 1
1 22 . 21 1 1 A 2 2 GLU CB C 2 33.147 27.471 5.676 1
1 24 . 21 1 1 A 2 2 GLU N N 2 124.627 119.221 5.406 1
1 25 . 21 1 1 A 3 3 THR H H 3 8.670 8.246 0.424 1
1 26 . 21 1 1 A 3 3 THR HA H 3 4.616 4.808 -0.192 1
1 31 . 21 1 1 A 3 3 THR CA C 3 61.734 59.075 2.659 1
1 32 . 21 1 1 A 3 3 THR CB C 3 70.590 70.241 0.349 1
1 34 . 21 1 1 A 3 3 THR N N 3 116.274 112.133 4.141 1
1 35 . 21 1 1 A 4 4 PRO HA H 4 4.161 4.331 -0.170 1
1 42 . 21 1 1 A 4 4 PRO C C 4 172.227 178.101 -5.874 1
1 43 . 21 1 1 A 4 4 PRO CA C 4 68.211 65.891 2.320 1
1 44 . 21 1 1 A 4 4 PRO CB C 4 33.796 31.947 1.849 1
1 47 . 21 1 1 A 5 5 LEU H H 5 9.207 7.733 1.474 1
1 48 . 21 1 1 A 5 5 LEU HA H 5 4.038 4.049 -0.011 1
1 58 . 21 1 1 A 5 5 LEU C C 5 174.327 178.329 -4.002 1
1 59 . 21 1 1 A 5 5 LEU CA C 5 59.483 57.483 2.000 1
1 60 . 21 1 1 A 5 5 LEU CB C 5 43.877 41.648 2.229 1
1 64 . 21 1 1 A 5 5 LEU N N 5 119.157 118.031 1.126 1
1 65 . 21 1 1 A 6 6 GLU H H 6 7.661 7.959 -0.298 1
1 66 . 21 1 1 A 6 6 GLU HA H 6 3.755 3.940 -0.185 1
1 71 . 21 1 1 A 6 6 GLU C C 6 172.727 179.055 -6.328 1
1 72 . 21 1 1 A 6 6 GLU CA C 6 61.953 59.832 2.121 1
1 73 . 21 1 1 A 6 6 GLU CB C 6 31.354 28.980 2.374 1
1 75 . 21 1 1 A 6 6 GLU N N 6 119.837 118.833 1.004 1
1 76 . 21 1 1 A 7 7 LYS H H 7 8.430 7.959 0.471 1
1 77 . 21 1 1 A 7 7 LYS HA H 7 3.921 4.267 -0.346 1
1 86 . 21 1 1 A 7 7 LYS C C 7 172.927 178.897 -5.970 1
1 87 . 21 1 1 A 7 7 LYS CA C 7 61.312 59.086 2.226 1
1 88 . 21 1 1 A 7 7 LYS CB C 7 33.861 31.814 2.047 1
1 92 . 21 1 1 A 7 7 LYS N N 7 119.023 118.390 0.633 1
1 93 . 21 1 1 A 8 8 ALA H H 8 8.079 7.810 0.269 1
1 94 . 21 1 1 A 8 8 ALA HA H 8 4.085 4.061 0.024 1
1 98 . 21 1 1 A 8 8 ALA C C 8 173.027 179.988 -6.961 1
1 99 . 21 1 1 A 8 8 ALA CA C 8 56.967 55.198 1.769 1
1 100 . 21 1 1 A 8 8 ALA CB C 8 20.140 18.712 1.428 1
1 101 . 21 1 1 A 8 8 ALA N N 8 123.824 122.348 1.476 1
1 102 . 21 1 1 A 9 9 LEU H H 9 8.032 7.962 0.070 1
1 103 . 21 1 1 A 9 9 LEU HA H 9 4.061 4.048 0.013 1
1 113 . 21 1 1 A 9 9 LEU C C 9 172.527 179.595 -7.068 1
1 114 . 21 1 1 A 9 9 LEU CA C 9 60.071 58.136 1.935 1
1 115 . 21 1 1 A 9 9 LEU CB C 9 42.714 41.553 1.161 1
1 119 . 21 1 1 A 9 9 LEU N N 9 118.643 118.214 0.429 1
1 120 . 21 1 1 A 10 10 THR H H 10 8.686 8.507 0.179 1
1 121 . 21 1 1 A 10 10 THR HA H 10 3.798 3.973 -0.175 1
1 126 . 21 1 1 A 10 10 THR C C 10 175.127 176.895 -1.768 1
1 127 . 21 1 1 A 10 10 THR CA C 10 69.282 66.472 2.810 1
1 128 . 21 1 1 A 10 10 THR CB C 10 70.132 68.165 1.967 1
1 130 . 21 1 1 A 10 10 THR N N 10 117.087 115.916 1.171 1
1 131 . 21 1 1 A 11 11 THR H H 11 8.628 8.188 0.440 1
1 132 . 21 1 1 A 11 11 THR HA H 11 3.961 4.022 -0.061 1
1 137 . 21 1 1 A 11 11 THR C C 11 174.427 176.184 -1.757 1
1 138 . 21 1 1 A 11 11 THR CA C 11 68.408 66.449 1.959 1
1 139 . 21 1 1 A 11 11 THR CB C 11 69.107 68.435 0.672 1
1 141 . 21 1 1 A 11 11 THR N N 11 120.770 117.619 3.151 1
1 142 . 21 1 1 A 12 12 MET H H 12 8.390 8.091 0.299 1
1 143 . 21 1 1 A 12 12 MET HA H 12 3.956 4.433 -0.477 1
1 151 . 21 1 1 A 12 12 MET C C 12 175.127 178.325 -3.198 1
1 152 . 21 1 1 A 12 12 MET CA C 12 62.750 58.249 4.501 1
1 153 . 21 1 1 A 12 12 MET CB C 12 34.952 32.499 2.453 1
1 156 . 21 1 1 A 12 12 MET N N 12 124.388 120.071 4.317 1
1 157 . 21 1 1 A 13 13 VAL H H 13 8.104 8.687 -0.583 1
1 158 . 21 1 1 A 13 13 VAL HA H 13 3.576 3.844 -0.268 1
1 166 . 21 1 1 A 13 13 VAL C C 13 175.327 177.973 -2.646 1
1 167 . 21 1 1 A 13 13 VAL CA C 13 68.958 65.858 3.100 1
1 168 . 21 1 1 A 13 13 VAL CB C 13 33.703 31.318 2.385 1
1 171 . 21 1 1 A 13 13 VAL N N 13 121.753 116.070 5.683 1
1 172 . 21 1 1 A 14 14 THR H H 14 9.186 8.112 1.074 1
1 173 . 21 1 1 A 14 14 THR HA H 14 3.774 4.140 -0.366 1
1 178 . 21 1 1 A 14 14 THR C C 14 173.927 176.768 -2.841 1
1 179 . 21 1 1 A 14 14 THR CA C 14 67.955 65.780 2.175 1
1 180 . 21 1 1 A 14 14 THR CB C 14 70.504 67.977 2.527 1
1 182 . 21 1 1 A 14 14 THR N N 14 114.911 114.649 0.262 1
1 183 . 21 1 1 A 15 15 THR H H 15 8.453 8.055 0.398 1
1 184 . 21 1 1 A 15 15 THR HA H 15 3.859 4.251 -0.392 1
1 190 . 21 1 1 A 15 15 THR C C 15 178.127 176.842 1.285 1
1 191 . 21 1 1 A 15 15 THR CA C 15 69.609 65.768 3.841 1
1 192 . 21 1 1 A 15 15 THR CB C 15 70.511 68.515 1.996 1
1 194 . 21 1 1 A 15 15 THR N N 15 118.791 113.809 4.982 1
1 195 . 21 1 1 A 16 16 PHE H H 16 7.207 8.585 -1.378 1
1 196 . 21 1 1 A 16 16 PHE HA H 16 3.572 4.227 -0.655 1
1 203 . 21 1 1 A 16 16 PHE C C 16 178.527 177.595 0.932 1
1 204 . 21 1 1 A 16 16 PHE CA C 16 64.090 61.535 2.555 1
1 205 . 21 1 1 A 16 16 PHE CB C 16 41.091 38.986 2.105 1
1 206 . 21 1 1 A 16 16 PHE N N 16 121.331 124.748 -3.417 1
1 207 . 21 1 1 A 17 17 HIS H H 17 8.393 8.571 -0.178 1
1 208 . 21 1 1 A 17 17 HIS HA H 17 5.329 4.443 0.886 1
1 211 . 21 1 1 A 17 17 HIS C C 17 174.627 177.468 -2.841 1
1 212 . 21 1 1 A 17 17 HIS CA C 17 56.667 60.109 -3.442 1
1 213 . 21 1 1 A 17 17 HIS CB C 17 32.397 30.012 2.385 1
1 214 . 21 1 1 A 17 17 HIS N N 17 117.858 118.945 -1.087 1
1 215 . 21 1 1 A 18 18 LYS H H 18 7.767 7.988 -0.221 1
1 216 . 21 1 1 A 18 18 LYS HA H 18 3.553 3.879 -0.326 1
1 225 . 21 1 1 A 18 18 LYS C C 18 175.527 176.828 -1.301 1
1 226 . 21 1 1 A 18 18 LYS CA C 18 61.301 58.680 2.621 1
1 227 . 21 1 1 A 18 18 LYS CB C 18 33.523 32.128 1.395 1
1 231 . 21 1 1 A 18 18 LYS N N 18 120.691 118.645 2.046 1
1 232 . 21 1 1 A 19 19 TYR H H 19 7.079 7.710 -0.631 1
1 233 . 21 1 1 A 19 19 TYR HA H 19 3.993 4.513 -0.520 1
1 240 . 21 1 1 A 19 19 TYR C C 19 174.227 177.611 -3.384 1
1 241 . 21 1 1 A 19 19 TYR CA C 19 61.287 58.919 2.368 1
1 242 . 21 1 1 A 19 19 TYR CB C 19 42.066 39.722 2.344 1
1 243 . 21 1 1 A 19 19 TYR N N 19 114.592 116.070 -1.478 1
1 244 . 21 1 1 A 20 20 SER H H 20 9.708 8.610 1.098 1
1 245 . 21 1 1 A 20 20 SER HA H 20 4.117 3.985 0.132 1
1 248 . 21 1 1 A 20 20 SER C C 20 175.227 176.824 -1.597 1
1 249 . 21 1 1 A 20 20 SER CA C 20 60.135 61.136 -1.001 1
1 250 . 21 1 1 A 20 20 SER CB C 20 63.159 62.141 1.018 1
1 251 . 21 1 1 A 20 20 SER N N 20 121.764 116.432 5.332 1
1 252 . 21 1 1 A 21 21 GLY H H 21 8.146 7.752 0.394 1
1 253 . 21 1 1 A 21 21 GLY HA2 H 21 3.956 3.761 0.195 1
1 254 . 21 1 1 A 21 21 GLY HA3 H 21 3.571 4.004 -0.433 1
1 255 . 21 1 1 A 21 21 GLY C C 21 177.927 174.661 3.266 1
1 256 . 21 1 1 A 21 21 GLY CA C 21 46.646 45.919 0.727 1
1 257 . 21 1 1 A 21 21 GLY N N 21 106.982 109.180 -2.198 1
1 258 . 21 1 1 A 22 22 ARG H H 22 7.007 7.303 -0.296 1
1 259 . 21 1 1 A 22 22 ARG HA H 22 3.815 4.248 -0.433 1
1 266 . 21 1 1 A 22 22 ARG C C 22 175.927 175.771 0.156 1
1 267 . 21 1 1 A 22 22 ARG CA C 22 60.766 57.045 3.721 1
1 268 . 21 1 1 A 22 22 ARG CB C 22 32.302 32.088 0.214 1
1 271 . 21 1 1 A 22 22 ARG N N 22 118.055 119.114 -1.059 1
1 272 . 21 1 1 A 23 23 GLU H H 23 7.551 7.659 -0.108 1
1 273 . 21 1 1 A 23 23 GLU HA H 23 4.436 4.389 0.047 1
1 278 . 21 1 1 A 23 23 GLU C C 23 177.727 175.886 1.841 1
1 279 . 21 1 1 A 23 23 GLU CA C 23 56.853 56.910 -0.057 1
1 280 . 21 1 1 A 23 23 GLU CB C 23 33.988 32.537 1.451 1
1 282 . 21 1 1 A 23 23 GLU N N 23 114.631 117.343 -2.712 1
1 283 . 21 1 1 A 24 24 GLY H H 24 8.376 8.843 -0.467 1
1 284 . 21 1 1 A 24 24 GLY HA2 H 24 3.771 3.894 -0.123 1
1 285 . 21 1 1 A 24 24 GLY HA3 H 24 3.567 3.953 -0.386 1
1 286 . 21 1 1 A 24 24 GLY C C 24 177.127 174.468 2.659 1
1 287 . 21 1 1 A 24 24 GLY CA C 24 47.718 45.438 2.280 1
1 288 . 21 1 1 A 24 24 GLY N N 24 107.626 111.108 -3.482 1
1 289 . 21 1 1 A 25 25 SER H H 25 8.443 8.953 -0.510 1
1 290 . 21 1 1 A 25 25 SER HA H 25 4.314 4.551 -0.237 1
1 293 . 21 1 1 A 25 25 SER C C 25 175.527 174.001 1.526 1
1 294 . 21 1 1 A 25 25 SER CA C 25 59.146 58.206 0.940 1
1 295 . 21 1 1 A 25 25 SER CB C 25 65.573 62.029 3.544 1
1 296 . 21 1 1 A 25 25 SER N N 25 119.000 114.993 4.007 1
1 297 . 21 1 1 A 26 26 LYS H H 26 8.821 8.837 -0.016 1
1 298 . 21 1 1 A 26 26 LYS HA H 26 4.307 4.020 0.287 1
1 307 . 21 1 1 A 26 26 LYS C C 26 176.027 176.418 -0.391 1
1 308 . 21 1 1 A 26 26 LYS CA C 26 59.180 58.132 1.048 1
1 309 . 21 1 1 A 26 26 LYS CB C 26 33.211 31.764 1.447 1
1 313 . 21 1 1 A 26 26 LYS N N 26 126.125 121.784 4.341 1
1 314 . 21 1 1 A 27 27 LEU H H 27 8.237 7.380 0.857 1
1 315 . 21 1 1 A 27 27 LEU HA H 27 4.534 4.824 -0.290 1
1 325 . 21 1 1 A 27 27 LEU C C 27 175.627 176.307 -0.680 1
1 326 . 21 1 1 A 27 27 LEU CA C 27 56.384 54.478 1.906 1
1 327 . 21 1 1 A 27 27 LEU CB C 27 44.218 43.986 0.232 1
1 331 . 21 1 1 A 27 27 LEU N N 27 117.484 118.223 -0.739 1
1 332 . 21 1 1 A 28 28 THR H H 28 7.386 7.454 -0.068 1
1 333 . 21 1 1 A 28 28 THR HA H 28 5.517 5.415 0.102 1
1 338 . 21 1 1 A 28 28 THR C C 28 180.227 172.703 7.524 1
1 339 . 21 1 1 A 28 28 THR CA C 28 61.014 59.995 1.019 1
1 340 . 21 1 1 A 28 28 THR CB C 28 75.348 72.936 2.412 1
1 342 . 21 1 1 A 28 28 THR N N 28 106.230 110.852 -4.622 1
1 343 . 21 1 1 A 29 29 LEU H H 29 8.721 8.708 0.013 1
1 344 . 21 1 1 A 29 29 LEU HA H 29 4.713 4.810 -0.097 1
1 354 . 21 1 1 A 29 29 LEU C C 29 176.927 175.320 1.607 1
1 355 . 21 1 1 A 29 29 LEU CA C 29 55.163 53.827 1.336 1
1 356 . 21 1 1 A 29 29 LEU CB C 29 46.059 44.769 1.290 1
1 360 . 21 1 1 A 29 29 LEU N N 29 116.728 116.120 0.608 1
1 361 . 21 1 1 A 30 30 SER H H 30 8.866 8.720 0.146 1
1 362 . 21 1 1 A 30 30 SER HA H 30 4.942 4.744 0.198 1
1 365 . 21 1 1 A 30 30 SER C C 30 176.327 175.509 0.818 1
1 366 . 21 1 1 A 30 30 SER CA C 30 59.032 57.856 1.176 1
1 367 . 21 1 1 A 30 30 SER CB C 30 67.150 64.273 2.877 1
1 368 . 21 1 1 A 30 30 SER N N 30 117.110 115.729 1.381 1
1 369 . 21 1 1 A 31 31 ARG H H 31 8.393 8.684 -0.291 1
1 370 . 21 1 1 A 31 31 ARG HA H 31 3.695 3.915 -0.220 1
1 377 . 21 1 1 A 31 31 ARG C C 31 174.127 177.364 -3.237 1
1 378 . 21 1 1 A 31 31 ARG CA C 31 62.776 59.285 3.491 1
1 379 . 21 1 1 A 31 31 ARG CB C 31 31.601 29.960 1.641 1
1 382 . 21 1 1 A 31 31 ARG N N 31 121.109 122.983 -1.874 1
1 383 . 21 1 1 A 32 32 LYS H H 32 8.264 8.381 -0.117 1
1 384 . 21 1 1 A 32 32 LYS HA H 32 3.912 3.988 -0.076 1
1 393 . 21 1 1 A 32 32 LYS C C 32 172.827 178.198 -5.371 1
1 394 . 21 1 1 A 32 32 LYS CA C 32 61.591 58.886 2.705 1
1 395 . 21 1 1 A 32 32 LYS CB C 32 34.116 32.134 1.982 1
1 399 . 21 1 1 A 32 32 LYS N N 32 118.536 119.478 -0.942 1
1 400 . 21 1 1 A 33 33 GLU H H 33 7.790 8.301 -0.511 1
1 401 . 21 1 1 A 33 33 GLU HA H 33 4.049 4.076 -0.027 1
1 406 . 21 1 1 A 33 33 GLU C C 33 174.327 178.670 -4.343 1
1 407 . 21 1 1 A 33 33 GLU CA C 33 60.634 58.828 1.806 1
1 408 . 21 1 1 A 33 33 GLU CB C 33 31.617 29.105 2.512 1
1 410 . 21 1 1 A 33 33 GLU N N 33 121.557 118.707 2.850 1
1 411 . 21 1 1 A 34 34 LEU H H 34 8.388 8.098 0.290 1
1 412 . 21 1 1 A 34 34 LEU HA H 34 3.844 3.829 0.015 1
1 422 . 21 1 1 A 34 34 LEU C C 34 174.927 178.308 -3.381 1
1 423 . 21 1 1 A 34 34 LEU CA C 34 59.173 57.533 1.640 1
1 424 . 21 1 1 A 34 34 LEU CB C 34 42.053 41.498 0.555 1
1 428 . 21 1 1 A 34 34 LEU N N 34 120.999 121.443 -0.444 1
1 429 . 21 1 1 A 35 35 LYS H H 35 7.817 7.619 0.198 1
1 430 . 21 1 1 A 35 35 LYS HA H 35 3.478 3.801 -0.323 1
1 439 . 21 1 1 A 35 35 LYS C C 35 174.627 178.553 -3.926 1
1 440 . 21 1 1 A 35 35 LYS CA C 35 62.312 59.461 2.851 1
1 441 . 21 1 1 A 35 35 LYS CB C 35 33.814 31.956 1.858 1
1 445 . 21 1 1 A 35 35 LYS N N 35 118.738 118.719 0.019 1
1 446 . 21 1 1 A 36 36 GLU H H 36 7.208 7.526 -0.318 1
1 447 . 21 1 1 A 36 36 GLU HA H 36 3.801 4.015 -0.214 1
1 452 . 21 1 1 A 36 36 GLU C C 36 175.227 178.032 -2.805 1
1 453 . 21 1 1 A 36 36 GLU CA C 36 61.015 58.753 2.262 1
1 454 . 21 1 1 A 36 36 GLU CB C 36 30.770 29.295 1.475 1
1 456 . 21 1 1 A 36 36 GLU N N 36 118.771 119.464 -0.693 1
1 457 . 21 1 1 A 37 37 LEU H H 37 8.038 7.732 0.306 1
1 458 . 21 1 1 A 37 37 LEU HA H 37 3.178 3.524 -0.346 1
1 468 . 21 1 1 A 37 37 LEU C C 37 172.927 178.068 -5.141 1
1 469 . 21 1 1 A 37 37 LEU CA C 37 60.915 58.330 2.585 1
1 470 . 21 1 1 A 37 37 LEU CB C 37 43.352 41.495 1.857 1
1 474 . 21 1 1 A 37 37 LEU N N 37 121.767 120.164 1.603 1
1 475 . 21 1 1 A 38 38 ILE H H 38 8.224 8.150 0.074 1
1 476 . 21 1 1 A 38 38 ILE HA H 38 3.234 3.780 -0.546 1
1 486 . 21 1 1 A 38 38 ILE C C 38 174.727 177.041 -2.314 1
1 487 . 21 1 1 A 38 38 ILE CA C 38 66.464 64.478 1.986 1
1 488 . 21 1 1 A 38 38 ILE CB C 38 38.799 37.725 1.074 1
1 492 . 21 1 1 A 38 38 ILE N N 38 119.417 119.580 -0.163 1
1 493 . 21 1 1 A 39 39 LYS H H 39 7.700 7.647 0.053 1
1 494 . 21 1 1 A 39 39 LYS HA H 39 3.894 4.499 -0.605 1
1 503 . 21 1 1 A 39 39 LYS C C 39 173.727 177.638 -3.911 1
1 504 . 21 1 1 A 39 39 LYS CA C 39 61.015 56.349 4.666 1
1 505 . 21 1 1 A 39 39 LYS CB C 39 34.100 32.823 1.277 1
1 509 . 21 1 1 A 39 39 LYS N N 39 117.277 119.402 -2.125 1
1 510 . 21 1 1 A 40 40 LYS H H 40 8.170 7.700 0.470 1
1 511 . 21 1 1 A 40 40 LYS HA H 40 4.226 4.203 0.023 1
1 520 . 21 1 1 A 40 40 LYS C C 40 173.427 178.299 -4.872 1
1 521 . 21 1 1 A 40 40 LYS CA C 40 59.251 58.765 0.486 1
1 522 . 21 1 1 A 40 40 LYS CB C 40 35.528 33.188 2.340 1
1 526 . 21 1 1 A 40 40 LYS N N 40 115.146 119.114 -3.968 1
1 527 . 21 1 1 A 41 41 GLU H H 41 8.778 7.881 0.897 1
1 528 . 21 1 1 A 41 41 GLU HA H 41 4.629 4.479 0.150 1
1 533 . 21 1 1 A 41 41 GLU C C 41 175.527 175.757 -0.230 1
1 534 . 21 1 1 A 41 41 GLU CA C 41 57.177 56.796 0.381 1
1 535 . 21 1 1 A 41 41 GLU CB C 41 31.656 30.415 1.241 1
1 537 . 21 1 1 A 41 41 GLU N N 41 113.604 116.615 -3.011 1
1 538 . 21 1 1 A 42 42 LEU H H 42 7.610 7.641 -0.031 1
1 539 . 21 1 1 A 42 42 LEU HA H 42 4.475 4.866 -0.391 1
1 549 . 21 1 1 A 42 42 LEU C C 42 177.227 174.814 2.413 1
1 550 . 21 1 1 A 42 42 LEU CA C 42 56.047 54.030 2.017 1
1 551 . 21 1 1 A 42 42 LEU CB C 42 45.748 46.035 -0.287 1
1 555 . 21 1 1 A 42 42 LEU N N 42 118.997 119.869 -0.872 1
1 556 . 21 1 1 A 43 43 CYS H H 43 8.501 8.635 -0.134 1
1 557 . 21 1 1 A 43 43 CYS HA H 43 4.397 5.176 -0.779 1
1 560 . 21 1 1 A 43 43 CYS C C 43 177.327 174.033 3.294 1
1 561 . 21 1 1 A 43 43 CYS CA C 43 60.023 57.902 2.121 1
1 562 . 21 1 1 A 43 43 CYS CB C 43 27.915 30.768 -2.853 1
1 563 . 21 1 1 A 43 43 CYS N N 43 119.622 124.846 -5.224 1
1 564 . 21 1 1 A 44 44 LEU H H 44 8.200 8.458 -0.258 1
1 565 . 21 1 1 A 44 44 LEU HA H 44 3.979 4.168 -0.189 1
1 575 . 21 1 1 A 44 44 LEU C C 44 173.927 177.374 -3.447 1
1 576 . 21 1 1 A 44 44 LEU CA C 44 57.244 57.126 0.118 1
1 577 . 21 1 1 A 44 44 LEU CB C 44 43.622 41.992 1.630 1
1 581 . 21 1 1 A 44 44 LEU N N 44 121.955 128.261 -6.306 1
1 582 . 21 1 1 A 45 45 GLY H H 45 8.244 7.967 0.277 1
1 583 . 21 1 1 A 45 45 GLY HA2 H 45 3.849 3.981 -0.132 1
1 584 . 21 1 1 A 45 45 GLY HA3 H 45 3.789 4.052 -0.263 1
1 585 . 21 1 1 A 45 45 GLY C C 45 178.027 174.322 3.705 1
1 586 . 21 1 1 A 45 45 GLY CA C 45 47.023 45.609 1.414 1
1 587 . 21 1 1 A 45 45 GLY N N 45 107.702 107.261 0.441 1
1 588 . 21 1 1 A 46 46 GLU H H 46 8.286 8.052 0.234 1
1 589 . 21 1 1 A 46 46 GLU HA H 46 4.039 4.566 -0.527 1
1 594 . 21 1 1 A 46 46 GLU C C 46 175.127 176.214 -1.087 1
1 595 . 21 1 1 A 46 46 GLU CA C 46 59.176 56.715 2.461 1
1 596 . 21 1 1 A 46 46 GLU CB C 46 31.361 32.035 -0.674 1
1 598 . 21 1 1 A 46 46 GLU N N 46 119.602 116.964 2.638 1
1 599 . 21 1 1 A 47 47 MET H H 47 8.048 7.598 0.450 1
1 600 . 21 1 1 A 47 47 MET HA H 47 4.229 4.815 -0.586 1
1 608 . 21 1 1 A 47 47 MET C C 47 175.727 176.147 -0.420 1
1 609 . 21 1 1 A 47 47 MET CA C 47 58.183 54.566 3.617 1
1 610 . 21 1 1 A 47 47 MET CB C 47 34.087 34.446 -0.359 1
1 613 . 21 1 1 A 47 47 MET N N 47 119.617 118.484 1.133 1
1 614 . 21 1 1 A 48 48 LYS H H 48 8.221 8.464 -0.243 1
1 615 . 21 1 1 A 48 48 LYS HA H 48 4.217 4.202 0.015 1
1 624 . 21 1 1 A 48 48 LYS C C 48 174.927 176.187 -1.260 1
1 625 . 21 1 1 A 48 48 LYS CA C 48 58.304 56.482 1.822 1
1 626 . 21 1 1 A 48 48 LYS CB C 48 34.548 32.397 2.151 1
1 630 . 21 1 1 A 48 48 LYS N N 48 120.987 121.113 -0.126 1
1 631 . 21 1 1 A 49 49 GLU H H 49 8.346 8.790 -0.444 1
1 632 . 21 1 1 A 49 49 GLU HA H 49 3.922 5.059 -1.137 1
1 637 . 21 1 1 A 49 49 GLU C C 49 174.427 175.821 -1.394 1
1 638 . 21 1 1 A 49 49 GLU CA C 49 60.298 54.884 5.414 1
1 639 . 21 1 1 A 49 49 GLU CB C 49 31.065 32.675 -1.610 1
1 641 . 21 1 1 A 49 49 GLU N N 49 121.867 125.230 -3.363 1
1 642 . 21 1 1 A 50 50 SER H H 50 8.348 8.967 -0.619 1
1 643 . 21 1 1 A 50 50 SER HA H 50 4.172 4.614 -0.442 1
1 647 . 21 1 1 A 50 50 SER C C 50 176.027 175.245 0.782 1
1 648 . 21 1 1 A 50 50 SER CA C 50 62.548 58.869 3.679 1
1 649 . 21 1 1 A 50 50 SER CB C 50 64.840 65.994 -1.154 1
1 650 . 21 1 1 A 50 50 SER N N 50 115.695 116.841 -1.146 1
1 651 . 21 1 1 A 51 51 SER H H 51 7.980 8.575 -0.595 1
1 652 . 21 1 1 A 51 51 SER HA H 51 4.258 4.347 -0.089 1
1 655 . 21 1 1 A 51 51 SER C C 51 174.427 175.348 -0.921 1
1 656 . 21 1 1 A 51 51 SER CA C 51 62.828 60.358 2.470 1
1 657 . 21 1 1 A 51 51 SER CB C 51 64.749 62.797 1.952 1
1 658 . 21 1 1 A 51 51 SER N N 51 117.126 117.818 -0.692 1
1 659 . 21 1 1 A 52 52 ILE H H 52 7.365 7.725 -0.360 1
1 660 . 21 1 1 A 52 52 ILE HA H 52 4.038 3.801 0.237 1
1 670 . 21 1 1 A 52 52 ILE C C 52 175.627 177.698 -2.071 1
1 671 . 21 1 1 A 52 52 ILE CA C 52 64.609 64.262 0.347 1
1 672 . 21 1 1 A 52 52 ILE CB C 52 39.272 37.406 1.866 1
1 676 . 21 1 1 A 52 52 ILE N N 52 117.484 118.648 -1.164 1
1 677 . 21 1 1 A 53 53 ASP H H 53 7.681 8.419 -0.738 1
1 678 . 21 1 1 A 53 53 ASP HA H 53 4.214 4.330 -0.116 1
1 681 . 21 1 1 A 53 53 ASP C C 53 174.027 177.901 -3.874 1
1 682 . 21 1 1 A 53 53 ASP CA C 53 59.799 57.380 2.419 1
1 683 . 21 1 1 A 53 53 ASP CB C 53 42.927 41.122 1.805 1
1 684 . 21 1 1 A 53 53 ASP N N 53 121.969 121.496 0.473 1
1 685 . 21 1 1 A 54 54 ASP H H 54 8.227 8.136 0.091 1
1 686 . 21 1 1 A 54 54 ASP HA H 54 4.231 4.308 -0.077 1
1 689 . 21 1 1 A 54 54 ASP C C 54 172.927 178.951 -6.024 1
1 690 . 21 1 1 A 54 54 ASP CA C 54 59.507 57.897 1.610 1
1 691 . 21 1 1 A 54 54 ASP CB C 54 41.818 41.734 0.084 1
1 692 . 21 1 1 A 54 54 ASP N N 54 118.083 119.975 -1.892 1
1 693 . 21 1 1 A 55 55 LEU H H 55 7.650 8.085 -0.435 1
1 694 . 21 1 1 A 55 55 LEU HA H 55 4.016 4.062 -0.046 1
1 704 . 21 1 1 A 55 55 LEU C C 55 171.927 179.165 -7.238 1
1 705 . 21 1 1 A 55 55 LEU CA C 55 59.965 57.763 2.202 1
1 706 . 21 1 1 A 55 55 LEU CB C 55 43.370 40.801 2.569 1
1 710 . 21 1 1 A 55 55 LEU N N 55 121.634 120.563 1.071 1
1 711 . 21 1 1 A 56 56 MET H H 56 8.429 8.870 -0.441 1
1 712 . 21 1 1 A 56 56 MET HA H 56 4.325 4.151 0.174 1
1 720 . 21 1 1 A 56 56 MET C C 56 172.527 178.218 -5.691 1
1 721 . 21 1 1 A 56 56 MET CA C 56 59.221 59.409 -0.188 1
1 722 . 21 1 1 A 56 56 MET CB C 56 34.106 32.730 1.376 1
1 725 . 21 1 1 A 56 56 MET N N 56 118.696 117.459 1.237 1
1 726 . 21 1 1 A 57 57 LYS H H 57 8.249 7.868 0.381 1
1 727 . 21 1 1 A 57 57 LYS HA H 57 3.996 4.148 -0.152 1
1 736 . 21 1 1 A 57 57 LYS C C 57 172.527 178.600 -6.073 1
1 737 . 21 1 1 A 57 57 LYS CA C 57 60.872 58.963 1.909 1
1 738 . 21 1 1 A 57 57 LYS CB C 57 33.853 31.961 1.892 1
1 742 . 21 1 1 A 57 57 LYS N N 57 119.855 120.302 -0.447 1
1 743 . 21 1 1 A 58 58 SER H H 58 7.729 7.975 -0.246 1
1 744 . 21 1 1 A 58 58 SER HA H 58 4.125 4.320 -0.195 1
1 747 . 21 1 1 A 58 58 SER C C 58 176.527 177.527 -1.000 1
1 748 . 21 1 1 A 58 58 SER CA C 58 63.029 61.161 1.868 1
1 749 . 21 1 1 A 58 58 SER CB C 58 64.686 62.853 1.833 1
1 750 . 21 1 1 A 58 58 SER N N 58 115.984 114.764 1.220 1
1 751 . 21 1 1 A 59 59 LEU H H 59 7.288 8.508 -1.220 1
1 752 . 21 1 1 A 59 59 LEU HA H 59 4.058 3.891 0.167 1
1 762 . 21 1 1 A 59 59 LEU C C 59 175.827 178.285 -2.458 1
1 763 . 21 1 1 A 59 59 LEU CA C 59 57.364 58.179 -0.815 1
1 764 . 21 1 1 A 59 59 LEU CB C 59 42.712 41.852 0.860 1
1 768 . 21 1 1 A 59 59 LEU N N 59 120.622 122.411 -1.789 1
1 769 . 21 1 1 A 60 60 ASP H H 60 7.431 8.358 -0.927 1
1 770 . 21 1 1 A 60 60 ASP HA H 60 4.386 4.530 -0.144 1
1 773 . 21 1 1 A 60 60 ASP C C 60 175.927 178.346 -2.419 1
1 774 . 21 1 1 A 60 60 ASP CA C 60 57.012 57.487 -0.475 1
1 775 . 21 1 1 A 60 60 ASP CB C 60 42.351 41.102 1.249 1
1 776 . 21 1 1 A 60 60 ASP N N 60 116.755 118.787 -2.032 1
1 777 . 21 1 1 A 61 61 LYS H H 61 7.243 7.716 -0.473 1
1 778 . 21 1 1 A 61 61 LYS HA H 61 4.223 4.040 0.183 1
1 787 . 21 1 1 A 61 61 LYS C C 61 176.527 177.544 -1.017 1
1 788 . 21 1 1 A 61 61 LYS CA C 61 57.287 58.598 -1.311 1
1 789 . 21 1 1 A 61 61 LYS CB C 61 34.683 32.341 2.342 1
1 793 . 21 1 1 A 61 61 LYS N N 61 119.913 118.763 1.150 1
1 794 . 21 1 1 A 62 62 ASN H H 62 8.725 7.925 0.800 1
1 795 . 21 1 1 A 62 62 ASN HA H 62 4.462 5.037 -0.575 1
1 800 . 21 1 1 A 62 62 ASN C C 62 175.627 175.663 -0.036 1
1 801 . 21 1 1 A 62 62 ASN CA C 62 55.452 52.722 2.730 1
1 802 . 21 1 1 A 62 62 ASN CB C 62 39.336 39.851 -0.515 1
1 803 . 21 1 1 A 62 62 ASN N N 62 120.247 116.146 4.101 1
1 805 . 21 1 1 A 63 63 SER H H 63 8.061 7.743 0.318 1
1 806 . 21 1 1 A 63 63 SER HA H 63 3.957 4.124 -0.167 1
1 809 . 21 1 1 A 63 63 SER C C 63 174.827 175.741 -0.914 1
1 810 . 21 1 1 A 63 63 SER CA C 63 62.954 61.712 1.242 1
1 811 . 21 1 1 A 63 63 SER CB C 63 65.586 63.193 2.393 1
1 812 . 21 1 1 A 63 63 SER N N 63 113.249 116.117 -2.868 1
1 813 . 21 1 1 A 64 64 ASP H H 64 8.408 7.746 0.662 1
1 814 . 21 1 1 A 64 64 ASP HA H 64 4.573 4.547 0.026 1
1 817 . 21 1 1 A 64 64 ASP C C 64 176.027 176.316 -0.289 1
1 818 . 21 1 1 A 64 64 ASP CA C 64 55.789 56.124 -0.335 1
1 819 . 21 1 1 A 64 64 ASP CB C 64 42.365 41.270 1.095 1
1 820 . 21 1 1 A 64 64 ASP N N 64 117.587 119.079 -1.492 1
1 821 . 21 1 1 A 65 65 GLN H H 65 7.779 7.773 0.006 1
1 822 . 21 1 1 A 65 65 GLN HA H 65 4.026 4.528 -0.502 1
1 829 . 21 1 1 A 65 65 GLN C C 65 176.827 175.418 1.409 1
1 830 . 21 1 1 A 65 65 GLN CA C 65 58.241 54.776 3.465 1
1 831 . 21 1 1 A 65 65 GLN CB C 65 31.309 29.700 1.609 1
1 833 . 21 1 1 A 65 65 GLN N N 65 121.059 118.587 2.472 1
1 835 . 21 1 1 A 66 66 GLU H H 66 8.365 8.587 -0.222 1
1 836 . 21 1 1 A 66 66 GLU HA H 66 4.320 4.865 -0.545 1
1 841 . 21 1 1 A 66 66 GLU C C 66 176.227 176.621 -0.394 1
1 842 . 21 1 1 A 66 66 GLU CA C 66 58.238 56.265 1.973 1
1 843 . 21 1 1 A 66 66 GLU CB C 66 32.567 30.736 1.831 1
1 845 . 21 1 1 A 66 66 GLU N N 66 123.061 120.487 2.574 1
1 846 . 21 1 1 A 67 67 ILE H H 67 9.350 9.162 0.188 1
1 847 . 21 1 1 A 67 67 ILE HA H 67 4.543 5.057 -0.514 1
1 857 . 21 1 1 A 67 67 ILE C C 67 178.127 175.221 2.906 1
1 858 . 21 1 1 A 67 67 ILE CA C 67 61.173 58.897 2.276 1
1 859 . 21 1 1 A 67 67 ILE CB C 67 41.460 42.081 -0.621 1
1 863 . 21 1 1 A 67 67 ILE N N 67 121.809 119.468 2.341 1
1 864 . 21 1 1 A 68 68 ASP H H 68 8.140 8.579 -0.439 1
1 865 . 21 1 1 A 68 68 ASP HA H 68 5.408 5.206 0.202 1
1 868 . 21 1 1 A 68 68 ASP C C 68 176.127 176.728 -0.601 1
1 869 . 21 1 1 A 68 68 ASP CA C 68 53.471 52.489 0.982 1
1 870 . 21 1 1 A 68 68 ASP CB C 68 43.898 41.994 1.904 1
1 871 . 21 1 1 A 68 68 ASP N N 68 122.626 122.525 0.101 1
1 872 . 21 1 1 A 69 69 PHE H H 69 9.486 9.031 0.455 1
1 873 . 21 1 1 A 69 69 PHE HA H 69 3.397 3.684 -0.287 1
1 880 . 21 1 1 A 69 69 PHE C C 69 174.727 177.250 -2.523 1
1 881 . 21 1 1 A 69 69 PHE CA C 69 63.764 59.938 3.826 1
1 882 . 21 1 1 A 69 69 PHE CB C 69 42.009 39.096 2.913 1
1 883 . 21 1 1 A 69 69 PHE N N 69 118.584 119.883 -1.299 1
1 884 . 21 1 1 A 70 70 LYS H H 70 7.510 8.025 -0.515 1
1 885 . 21 1 1 A 70 70 LYS HA H 70 3.633 4.272 -0.639 1
1 894 . 21 1 1 A 70 70 LYS C C 70 173.627 178.626 -4.999 1
1 895 . 21 1 1 A 70 70 LYS CA C 70 61.940 58.241 3.699 1
1 896 . 21 1 1 A 70 70 LYS CB C 70 33.189 33.319 -0.130 1
1 900 . 21 1 1 A 70 70 LYS N N 70 117.327 119.507 -2.180 1
1 901 . 21 1 1 A 71 71 GLU H H 71 8.151 8.031 0.120 1
1 902 . 21 1 1 A 71 71 GLU HA H 71 3.930 4.075 -0.145 1
1 907 . 21 1 1 A 71 71 GLU C C 71 173.127 178.822 -5.695 1
1 908 . 21 1 1 A 71 71 GLU CA C 71 61.000 59.598 1.402 1
1 909 . 21 1 1 A 71 71 GLU CB C 71 31.639 29.741 1.898 1
1 911 . 21 1 1 A 71 71 GLU N N 71 120.925 118.477 2.448 1
1 912 . 21 1 1 A 72 72 TYR H H 72 8.454 7.699 0.755 1
1 913 . 21 1 1 A 72 72 TYR HA H 72 4.047 4.277 -0.230 1
1 920 . 21 1 1 A 72 72 TYR C C 72 177.227 177.988 -0.761 1
1 921 . 21 1 1 A 72 72 TYR CA C 72 62.068 60.955 1.113 1
1 922 . 21 1 1 A 72 72 TYR CB C 72 39.522 38.598 0.924 1
1 923 . 21 1 1 A 72 72 TYR N N 72 123.271 122.073 1.198 1
1 924 . 21 1 1 A 73 73 SER H H 73 7.990 7.703 0.287 1
1 925 . 21 1 1 A 73 73 SER HA H 73 3.245 3.823 -0.578 1
1 928 . 21 1 1 A 73 73 SER C C 73 174.327 176.629 -2.302 1
1 929 . 21 1 1 A 73 73 SER CA C 73 62.841 61.110 1.731 1
1 930 . 21 1 1 A 73 73 SER CB C 73 64.317 62.442 1.875 1
1 931 . 21 1 1 A 73 73 SER N N 73 115.432 114.344 1.088 1
1 932 . 21 1 1 A 74 74 VAL H H 74 8.112 8.188 -0.076 1
1 933 . 21 1 1 A 74 74 VAL HA H 74 3.375 3.721 -0.346 1
1 941 . 21 1 1 A 74 74 VAL C C 74 174.427 178.128 -3.701 1
1 942 . 21 1 1 A 74 74 VAL CA C 74 68.677 65.554 3.123 1
1 943 . 21 1 1 A 74 74 VAL CB C 74 33.164 31.551 1.613 1
1 946 . 21 1 1 A 74 74 VAL N N 74 123.807 119.693 4.114 1
1 947 . 21 1 1 A 75 75 PHE H H 75 8.149 8.496 -0.347 1
1 948 . 21 1 1 A 75 75 PHE HA H 75 3.878 4.177 -0.299 1
1 955 . 21 1 1 A 75 75 PHE C C 75 174.627 176.758 -2.131 1
1 956 . 21 1 1 A 75 75 PHE CA C 75 64.444 61.142 3.302 1
1 957 . 21 1 1 A 75 75 PHE CB C 75 40.823 39.441 1.382 1
1 958 . 21 1 1 A 75 75 PHE N N 75 122.351 123.943 -1.592 1
1 959 . 21 1 1 A 76 76 LEU H H 76 8.141 8.612 -0.471 1
1 960 . 21 1 1 A 76 76 LEU HA H 76 3.648 3.912 -0.264 1
1 970 . 21 1 1 A 76 76 LEU C C 76 173.327 179.392 -6.065 1
1 971 . 21 1 1 A 76 76 LEU CA C 76 59.810 57.937 1.873 1
1 972 . 21 1 1 A 76 76 LEU CB C 76 42.994 41.469 1.525 1
1 976 . 21 1 1 A 76 76 LEU N N 76 116.801 119.459 -2.658 1
1 977 . 21 1 1 A 77 77 THR H H 77 8.005 8.075 -0.070 1
1 978 . 21 1 1 A 77 77 THR HA H 77 3.561 3.785 -0.224 1
1 984 . 21 1 1 A 77 77 THR C C 77 176.427 176.705 -0.278 1
1 985 . 21 1 1 A 77 77 THR CA C 77 69.876 66.413 3.463 1
1 986 . 21 1 1 A 77 77 THR CB C 77 71.163 68.518 2.645 1
1 988 . 21 1 1 A 77 77 THR N N 77 116.415 116.218 0.197 1
1 989 . 21 1 1 A 78 78 MET H H 78 8.059 8.676 -0.617 1
1 990 . 21 1 1 A 78 78 MET HA H 78 3.771 3.975 -0.204 1
1 995 . 21 1 1 A 78 78 MET C C 78 172.927 178.521 -5.594 1
1 996 . 21 1 1 A 78 78 MET CA C 78 60.751 58.827 1.924 1
1 997 . 21 1 1 A 78 78 MET CB C 78 33.255 32.903 0.352 1
1 999 . 21 1 1 A 78 78 MET N N 78 120.960 118.302 2.658 1
1 1000 . 21 1 1 A 79 79 LEU H H 79 8.007 8.036 -0.029 1
1 1001 . 21 1 1 A 79 79 LEU HA H 79 3.646 4.029 -0.383 1
1 1011 . 21 1 1 A 79 79 LEU C C 79 174.527 178.420 -3.893 1
1 1012 . 21 1 1 A 79 79 LEU CA C 79 59.756 58.277 1.479 1
1 1013 . 21 1 1 A 79 79 LEU CB C 79 42.961 41.581 1.380 1
1 1017 . 21 1 1 A 79 79 LEU N N 79 120.772 120.840 -0.068 1
1 1018 . 21 1 1 A 80 80 CYS H H 80 8.268 7.851 0.417 1
1 1019 . 21 1 1 A 80 80 CYS HA H 80 3.344 3.889 -0.545 1
1 1022 . 21 1 1 A 80 80 CYS C C 80 176.127 176.903 -0.776 1
1 1023 . 21 1 1 A 80 80 CYS CA C 80 64.083 62.686 1.397 1
1 1024 . 21 1 1 A 80 80 CYS CB C 80 28.199 26.611 1.588 1
1 1025 . 21 1 1 A 80 80 CYS N N 80 118.257 118.080 0.177 1
1 1026 . 21 1 1 A 81 81 MET H H 81 7.600 8.228 -0.628 1
1 1027 . 21 1 1 A 81 81 MET HA H 81 3.242 4.471 -1.229 1
1 1035 . 21 1 1 A 81 81 MET C C 81 176.227 177.418 -1.191 1
1 1036 . 21 1 1 A 81 81 MET CA C 81 60.091 57.781 2.310 1
1 1037 . 21 1 1 A 81 81 MET CB C 81 34.090 31.832 2.258 1
1 1040 . 21 1 1 A 81 81 MET N N 81 114.515 119.170 -4.655 1
1 1041 . 21 1 1 A 82 82 ALA H H 82 7.299 7.616 -0.317 1
1 1042 . 21 1 1 A 82 82 ALA HA H 82 4.121 4.308 -0.187 1
1 1046 . 21 1 1 A 82 82 ALA C C 82 173.827 177.667 -3.840 1
1 1047 . 21 1 1 A 82 82 ALA CA C 82 54.930 52.913 2.017 1
1 1048 . 21 1 1 A 82 82 ALA CB C 82 20.641 18.913 1.728 1
1 1049 . 21 1 1 A 82 82 ALA N N 82 118.977 120.364 -1.387 1
1 1050 . 21 1 1 A 83 83 TYR H H 83 7.623 7.611 0.012 1
1 1051 . 21 1 1 A 83 83 TYR HA H 83 4.771 4.878 -0.107 1
1 1058 . 21 1 1 A 83 83 TYR CA C 83 59.333 57.413 1.920 1
1 1059 . 21 1 1 A 83 83 TYR CB C 83 41.599 40.458 1.141 1
1 1060 . 21 1 1 A 83 83 TYR N N 83 113.311 113.813 -0.502 1
1 1061 . 21 1 1 A 84 84 ASN HA H 84 4.534 4.452 0.082 1
1 1064 . 21 1 1 A 84 84 ASN CA C 84 56.126 52.593 3.533 1
1 1065 . 21 1 1 A 84 84 ASN CB C 84 41.990 39.234 2.756 1
1 1066 . 21 1 1 A 85 85 ASP H H 85 8.681 9.034 -0.353 1
1 1067 . 21 1 1 A 85 85 ASP HA H 85 4.086 4.341 -0.255 1
1 1070 . 21 1 1 A 85 85 ASP CA C 85 58.457 56.639 1.818 1
1 1071 . 21 1 1 A 85 85 ASP CB C 85 42.260 40.634 1.626 1
1 1072 . 21 1 1 A 85 85 ASP N N 85 126.079 125.923 0.156 1
1 1073 . 21 1 1 A 86 86 PHE H H 86 8.672 8.214 0.458 1
1 1074 . 21 1 1 A 86 86 PHE HA H 86 3.744 4.271 -0.527 1
1 1081 . 21 1 1 A 86 86 PHE C C 86 176.827 176.704 0.123 1
1 1082 . 21 1 1 A 86 86 PHE CA C 86 62.903 59.860 3.043 1
1 1083 . 21 1 1 A 86 86 PHE CB C 86 41.596 39.125 2.471 1
1 1084 . 21 1 1 A 86 86 PHE N N 86 121.950 121.635 0.315 1
1 1085 . 21 1 1 A 87 87 PHE H H 87 7.225 8.020 -0.795 1
1 1086 . 21 1 1 A 87 87 PHE HA H 87 3.836 4.802 -0.966 1
1 1093 . 21 1 1 A 87 87 PHE C C 87 176.927 175.480 1.447 1
1 1094 . 21 1 1 A 87 87 PHE CA C 87 60.422 57.177 3.245 1
1 1095 . 21 1 1 A 87 87 PHE CB C 87 41.081 39.902 1.179 1
1 1096 . 21 1 1 A 87 87 PHE N N 87 110.928 111.554 -0.626 1
1 1097 . 21 1 1 A 88 88 LEU H H 88 7.130 7.299 -0.169 1
1 1098 . 21 1 1 A 88 88 LEU HA H 88 4.169 4.378 -0.209 1
1 1108 . 21 1 1 A 88 88 LEU C C 88 175.027 176.600 -1.573 1
1 1109 . 21 1 1 A 88 88 LEU CA C 88 56.962 53.446 3.516 1
1 1110 . 21 1 1 A 88 88 LEU CB C 88 44.199 42.586 1.613 1
1 1114 . 21 1 1 A 88 88 LEU N N 88 119.732 121.541 -1.809 1
1 1115 . 21 1 1 A 89 89 GLU H H 89 8.097 8.677 -0.580 1
1 1116 . 21 1 1 A 89 89 GLU HA H 89 4.087 4.488 -0.401 1
1 1121 . 21 1 1 A 89 89 GLU C C 89 176.427 174.920 1.507 1
1 1122 . 21 1 1 A 89 89 GLU CA C 89 58.216 55.941 2.275 1
1 1123 . 21 1 1 A 89 89 GLU CB C 89 32.309 31.967 0.342 1
1 1125 . 21 1 1 A 89 89 GLU N N 89 121.626 120.807 0.819 1
1 1126 . 21 1 1 A 90 90 ASP H H 90 8.243 7.566 0.677 1
1 1127 . 21 1 1 A 90 90 ASP HA H 90 4.425 4.681 -0.256 1
1 1130 . 21 1 1 A 90 90 ASP C C 90 176.527 173.886 2.641 1
1 1131 . 21 1 1 A 90 90 ASP CA C 90 55.815 53.791 2.024 1
1 1132 . 21 1 1 A 90 90 ASP CB C 90 42.874 43.622 -0.748 1
1 1133 . 21 1 1 A 90 90 ASP N N 90 121.280 116.126 5.154 1
1 1134 . 21 1 1 A 91 91 ASN H H 91 8.267 8.588 -0.321 1
1 1135 . 21 1 1 A 91 91 ASN HA H 91 4.563 4.868 -0.305 1
1 1140 . 21 1 1 A 91 91 ASN C C 91 178.127 174.023 4.104 1
1 1141 . 21 1 1 A 91 91 ASN CA C 91 54.928 52.834 2.094 1
1 1142 . 21 1 1 A 91 91 ASN CB C 91 40.529 36.858 3.671 1
1 1143 . 21 1 1 A 91 91 ASN N N 91 119.209 120.222 -1.013 1
1 14 . 22 1 1 A 2 2 GLU H H 2 8.722 8.780 -0.058 1
1 15 . 22 1 1 A 2 2 GLU HA H 2 4.557 5.115 -0.558 1
1 20 . 22 1 1 A 2 2 GLU C C 2 175.827 175.682 0.145 1
1 21 . 22 1 1 A 2 2 GLU CA C 2 58.063 54.925 3.138 1
1 22 . 22 1 1 A 2 2 GLU CB C 2 33.147 32.296 0.851 1
1 24 . 22 1 1 A 2 2 GLU N N 2 124.627 117.934 6.693 1
1 25 . 22 1 1 A 3 3 THR H H 3 8.670 8.503 0.167 1
1 26 . 22 1 1 A 3 3 THR HA H 3 4.616 4.853 -0.237 1
1 31 . 22 1 1 A 3 3 THR CA C 3 61.734 59.120 2.614 1
1 32 . 22 1 1 A 3 3 THR CB C 3 70.590 71.838 -1.248 1
1 34 . 22 1 1 A 3 3 THR N N 3 116.274 111.204 5.070 1
1 35 . 22 1 1 A 4 4 PRO HA H 4 4.161 4.516 -0.355 1
1 42 . 22 1 1 A 4 4 PRO C C 4 172.227 177.435 -5.208 1
1 43 . 22 1 1 A 4 4 PRO CA C 4 68.211 64.138 4.073 1
1 44 . 22 1 1 A 4 4 PRO CB C 4 33.796 32.093 1.703 1
1 47 . 22 1 1 A 5 5 LEU H H 5 9.207 7.632 1.575 1
1 48 . 22 1 1 A 5 5 LEU HA H 5 4.038 4.050 -0.012 1
1 58 . 22 1 1 A 5 5 LEU C C 5 174.327 178.502 -4.175 1
1 59 . 22 1 1 A 5 5 LEU CA C 5 59.483 57.235 2.248 1
1 60 . 22 1 1 A 5 5 LEU CB C 5 43.877 41.975 1.902 1
1 64 . 22 1 1 A 5 5 LEU N N 5 119.157 119.643 -0.486 1
1 65 . 22 1 1 A 6 6 GLU H H 6 7.661 8.403 -0.742 1
1 66 . 22 1 1 A 6 6 GLU HA H 6 3.755 4.114 -0.359 1
1 71 . 22 1 1 A 6 6 GLU C C 6 172.727 178.174 -5.447 1
1 72 . 22 1 1 A 6 6 GLU CA C 6 61.953 58.965 2.988 1
1 73 . 22 1 1 A 6 6 GLU CB C 6 31.354 28.677 2.677 1
1 75 . 22 1 1 A 6 6 GLU N N 6 119.837 117.207 2.630 1
1 76 . 22 1 1 A 7 7 LYS H H 7 8.430 7.949 0.481 1
1 77 . 22 1 1 A 7 7 LYS HA H 7 3.921 4.107 -0.186 1
1 86 . 22 1 1 A 7 7 LYS C C 7 172.927 178.890 -5.963 1
1 87 . 22 1 1 A 7 7 LYS CA C 7 61.312 58.796 2.516 1
1 88 . 22 1 1 A 7 7 LYS CB C 7 33.861 32.056 1.805 1
1 92 . 22 1 1 A 7 7 LYS N N 7 119.023 119.255 -0.232 1
1 93 . 22 1 1 A 8 8 ALA H H 8 8.079 8.021 0.058 1
1 94 . 22 1 1 A 8 8 ALA HA H 8 4.085 4.026 0.059 1
1 98 . 22 1 1 A 8 8 ALA C C 8 173.027 179.872 -6.845 1
1 99 . 22 1 1 A 8 8 ALA CA C 8 56.967 55.095 1.872 1
1 100 . 22 1 1 A 8 8 ALA CB C 8 20.140 18.503 1.637 1
1 101 . 22 1 1 A 8 8 ALA N N 8 123.824 122.713 1.111 1
1 102 . 22 1 1 A 9 9 LEU H H 9 8.032 7.757 0.275 1
1 103 . 22 1 1 A 9 9 LEU HA H 9 4.061 4.036 0.025 1
1 113 . 22 1 1 A 9 9 LEU C C 9 172.527 179.347 -6.820 1
1 114 . 22 1 1 A 9 9 LEU CA C 9 60.071 58.051 2.020 1
1 115 . 22 1 1 A 9 9 LEU CB C 9 42.714 41.926 0.788 1
1 119 . 22 1 1 A 9 9 LEU N N 9 118.643 118.461 0.182 1
1 120 . 22 1 1 A 10 10 THR H H 10 8.686 8.351 0.335 1
1 121 . 22 1 1 A 10 10 THR HA H 10 3.798 3.883 -0.085 1
1 126 . 22 1 1 A 10 10 THR C C 10 175.127 176.681 -1.554 1
1 127 . 22 1 1 A 10 10 THR CA C 10 69.282 66.510 2.772 1
1 128 . 22 1 1 A 10 10 THR CB C 10 70.132 68.581 1.551 1
1 130 . 22 1 1 A 10 10 THR N N 10 117.087 115.714 1.373 1
1 131 . 22 1 1 A 11 11 THR H H 11 8.628 8.107 0.521 1
1 132 . 22 1 1 A 11 11 THR HA H 11 3.961 3.914 0.047 1
1 137 . 22 1 1 A 11 11 THR C C 11 174.427 176.915 -2.488 1
1 138 . 22 1 1 A 11 11 THR CA C 11 68.408 66.730 1.678 1
1 139 . 22 1 1 A 11 11 THR CB C 11 69.107 68.065 1.042 1
1 141 . 22 1 1 A 11 11 THR N N 11 120.770 117.110 3.660 1
1 142 . 22 1 1 A 12 12 MET H H 12 8.390 8.348 0.042 1
1 143 . 22 1 1 A 12 12 MET HA H 12 3.956 4.402 -0.446 1
1 151 . 22 1 1 A 12 12 MET C C 12 175.127 178.523 -3.396 1
1 152 . 22 1 1 A 12 12 MET CA C 12 62.750 58.020 4.730 1
1 153 . 22 1 1 A 12 12 MET CB C 12 34.952 32.559 2.393 1
1 156 . 22 1 1 A 12 12 MET N N 12 124.388 119.051 5.337 1
1 157 . 22 1 1 A 13 13 VAL H H 13 8.104 8.270 -0.166 1
1 158 . 22 1 1 A 13 13 VAL HA H 13 3.576 3.612 -0.036 1
1 166 . 22 1 1 A 13 13 VAL C C 13 175.327 178.140 -2.813 1
1 167 . 22 1 1 A 13 13 VAL CA C 13 68.958 65.460 3.498 1
1 168 . 22 1 1 A 13 13 VAL CB C 13 33.703 31.169 2.534 1
1 171 . 22 1 1 A 13 13 VAL N N 13 121.753 116.793 4.960 1
1 172 . 22 1 1 A 14 14 THR H H 14 9.186 8.250 0.936 1
1 173 . 22 1 1 A 14 14 THR HA H 14 3.774 4.066 -0.292 1
1 178 . 22 1 1 A 14 14 THR C C 14 173.927 176.759 -2.832 1
1 179 . 22 1 1 A 14 14 THR CA C 14 67.955 66.058 1.897 1
1 180 . 22 1 1 A 14 14 THR CB C 14 70.504 68.550 1.954 1
1 182 . 22 1 1 A 14 14 THR N N 14 114.911 116.264 -1.353 1
1 183 . 22 1 1 A 15 15 THR H H 15 8.453 8.043 0.410 1
1 184 . 22 1 1 A 15 15 THR HA H 15 3.859 4.176 -0.317 1
1 190 . 22 1 1 A 15 15 THR C C 15 178.127 176.722 1.405 1
1 191 . 22 1 1 A 15 15 THR CA C 15 69.609 65.766 3.843 1
1 192 . 22 1 1 A 15 15 THR CB C 15 70.511 68.208 2.303 1
1 194 . 22 1 1 A 15 15 THR N N 15 118.791 112.806 5.985 1
1 195 . 22 1 1 A 16 16 PHE H H 16 7.207 8.450 -1.243 1
1 196 . 22 1 1 A 16 16 PHE HA H 16 3.572 4.042 -0.470 1
1 203 . 22 1 1 A 16 16 PHE C C 16 178.527 177.118 1.409 1
1 204 . 22 1 1 A 16 16 PHE CA C 16 64.090 61.978 2.112 1
1 205 . 22 1 1 A 16 16 PHE CB C 16 41.091 38.870 2.221 1
1 206 . 22 1 1 A 16 16 PHE N N 16 121.331 123.332 -2.001 1
1 207 . 22 1 1 A 17 17 HIS H H 17 8.393 8.417 -0.024 1
1 208 . 22 1 1 A 17 17 HIS HA H 17 5.329 4.294 1.035 1
1 211 . 22 1 1 A 17 17 HIS C C 17 174.627 177.112 -2.485 1
1 212 . 22 1 1 A 17 17 HIS CA C 17 56.667 60.155 -3.488 1
1 213 . 22 1 1 A 17 17 HIS CB C 17 32.397 29.582 2.815 1
1 214 . 22 1 1 A 17 17 HIS N N 17 117.858 119.082 -1.224 1
1 215 . 22 1 1 A 18 18 LYS H H 18 7.767 7.767 0.000 1
1 216 . 22 1 1 A 18 18 LYS HA H 18 3.553 3.790 -0.237 1
1 225 . 22 1 1 A 18 18 LYS C C 18 175.527 177.353 -1.826 1
1 226 . 22 1 1 A 18 18 LYS CA C 18 61.301 58.882 2.419 1
1 227 . 22 1 1 A 18 18 LYS CB C 18 33.523 31.973 1.550 1
1 231 . 22 1 1 A 18 18 LYS N N 18 120.691 117.943 2.748 1
1 232 . 22 1 1 A 19 19 TYR H H 19 7.079 7.510 -0.431 1
1 233 . 22 1 1 A 19 19 TYR HA H 19 3.993 4.399 -0.406 1
1 240 . 22 1 1 A 19 19 TYR C C 19 174.227 176.555 -2.328 1
1 241 . 22 1 1 A 19 19 TYR CA C 19 61.287 57.838 3.449 1
1 242 . 22 1 1 A 19 19 TYR CB C 19 42.066 38.531 3.535 1
1 243 . 22 1 1 A 19 19 TYR N N 19 114.592 117.801 -3.209 1
1 244 . 22 1 1 A 20 20 SER H H 20 9.708 7.916 1.792 1
1 245 . 22 1 1 A 20 20 SER HA H 20 4.117 4.522 -0.405 1
1 248 . 22 1 1 A 20 20 SER C C 20 175.227 176.063 -0.836 1
1 249 . 22 1 1 A 20 20 SER CA C 20 60.135 60.615 -0.480 1
1 250 . 22 1 1 A 20 20 SER CB C 20 63.159 64.637 -1.478 1
1 251 . 22 1 1 A 20 20 SER N N 20 121.764 114.453 7.311 1
1 252 . 22 1 1 A 21 21 GLY H H 21 8.146 8.346 -0.200 1
1 253 . 22 1 1 A 21 21 GLY HA2 H 21 3.956 3.925 0.031 1
1 254 . 22 1 1 A 21 21 GLY HA3 H 21 3.571 3.929 -0.358 1
1 255 . 22 1 1 A 21 21 GLY C C 21 177.927 175.376 2.551 1
1 256 . 22 1 1 A 21 21 GLY CA C 21 46.646 45.898 0.748 1
1 257 . 22 1 1 A 21 21 GLY N N 21 106.982 108.798 -1.816 1
1 258 . 22 1 1 A 22 22 ARG H H 22 7.007 8.507 -1.500 1
1 259 . 22 1 1 A 22 22 ARG HA H 22 3.815 4.065 -0.250 1
1 266 . 22 1 1 A 22 22 ARG C C 22 175.927 176.255 -0.328 1
1 267 . 22 1 1 A 22 22 ARG CA C 22 60.766 58.096 2.670 1
1 268 . 22 1 1 A 22 22 ARG CB C 22 32.302 29.197 3.105 1
1 271 . 22 1 1 A 22 22 ARG N N 22 118.055 119.082 -1.027 1
1 272 . 22 1 1 A 23 23 GLU H H 23 7.551 7.925 -0.374 1
1 273 . 22 1 1 A 23 23 GLU HA H 23 4.436 4.512 -0.076 1
1 278 . 22 1 1 A 23 23 GLU C C 23 177.727 176.523 1.204 1
1 279 . 22 1 1 A 23 23 GLU CA C 23 56.853 57.138 -0.285 1
1 280 . 22 1 1 A 23 23 GLU CB C 23 33.988 32.751 1.237 1
1 282 . 22 1 1 A 23 23 GLU N N 23 114.631 118.005 -3.374 1
1 283 . 22 1 1 A 24 24 GLY H H 24 8.376 7.670 0.706 1
1 284 . 22 1 1 A 24 24 GLY HA2 H 24 3.771 4.040 -0.269 1
1 285 . 22 1 1 A 24 24 GLY HA3 H 24 3.567 4.072 -0.505 1
1 286 . 22 1 1 A 24 24 GLY C C 24 177.127 172.651 4.476 1
1 287 . 22 1 1 A 24 24 GLY CA C 24 47.718 46.141 1.577 1
1 288 . 22 1 1 A 24 24 GLY N N 24 107.626 105.134 2.492 1
1 289 . 22 1 1 A 25 25 SER H H 25 8.443 8.361 0.082 1
1 290 . 22 1 1 A 25 25 SER HA H 25 4.314 4.338 -0.024 1
1 293 . 22 1 1 A 25 25 SER C C 25 175.527 174.439 1.088 1
1 294 . 22 1 1 A 25 25 SER CA C 25 59.146 59.836 -0.690 1
1 295 . 22 1 1 A 25 25 SER CB C 25 65.573 63.539 2.034 1
1 296 . 22 1 1 A 25 25 SER N N 25 119.000 119.229 -0.229 1
1 297 . 22 1 1 A 26 26 LYS H H 26 8.821 8.733 0.088 1
1 298 . 22 1 1 A 26 26 LYS HA H 26 4.307 4.467 -0.160 1
1 307 . 22 1 1 A 26 26 LYS C C 26 176.027 177.537 -1.510 1
1 308 . 22 1 1 A 26 26 LYS CA C 26 59.180 58.115 1.065 1
1 309 . 22 1 1 A 26 26 LYS CB C 26 33.211 32.224 0.987 1
1 313 . 22 1 1 A 26 26 LYS N N 26 126.125 126.944 -0.819 1
1 314 . 22 1 1 A 27 27 LEU H H 27 8.237 7.836 0.401 1
1 315 . 22 1 1 A 27 27 LEU HA H 27 4.534 5.062 -0.528 1
1 325 . 22 1 1 A 27 27 LEU C C 27 175.627 175.880 -0.253 1
1 326 . 22 1 1 A 27 27 LEU CA C 27 56.384 54.378 2.006 1
1 327 . 22 1 1 A 27 27 LEU CB C 27 44.218 43.268 0.950 1
1 331 . 22 1 1 A 27 27 LEU N N 27 117.484 113.330 4.154 1
1 332 . 22 1 1 A 28 28 THR H H 28 7.386 7.450 -0.064 1
1 333 . 22 1 1 A 28 28 THR HA H 28 5.517 5.603 -0.086 1
1 338 . 22 1 1 A 28 28 THR C C 28 180.227 172.761 7.466 1
1 339 . 22 1 1 A 28 28 THR CA C 28 61.014 60.086 0.928 1
1 340 . 22 1 1 A 28 28 THR CB C 28 75.348 72.109 3.239 1
1 342 . 22 1 1 A 28 28 THR N N 28 106.230 110.258 -4.028 1
1 343 . 22 1 1 A 29 29 LEU H H 29 8.721 8.627 0.094 1
1 344 . 22 1 1 A 29 29 LEU HA H 29 4.713 4.825 -0.112 1
1 354 . 22 1 1 A 29 29 LEU C C 29 176.927 175.405 1.522 1
1 355 . 22 1 1 A 29 29 LEU CA C 29 55.163 53.756 1.407 1
1 356 . 22 1 1 A 29 29 LEU CB C 29 46.059 44.754 1.305 1
1 360 . 22 1 1 A 29 29 LEU N N 29 116.728 119.134 -2.406 1
1 361 . 22 1 1 A 30 30 SER H H 30 8.866 8.720 0.146 1
1 362 . 22 1 1 A 30 30 SER HA H 30 4.942 4.709 0.233 1
1 365 . 22 1 1 A 30 30 SER C C 30 176.327 175.654 0.673 1
1 366 . 22 1 1 A 30 30 SER CA C 30 59.032 57.942 1.090 1
1 367 . 22 1 1 A 30 30 SER CB C 30 67.150 64.279 2.871 1
1 368 . 22 1 1 A 30 30 SER N N 30 117.110 115.896 1.214 1
1 369 . 22 1 1 A 31 31 ARG H H 31 8.393 8.938 -0.545 1
1 370 . 22 1 1 A 31 31 ARG HA H 31 3.695 3.914 -0.219 1
1 377 . 22 1 1 A 31 31 ARG C C 31 174.127 177.580 -3.453 1
1 378 . 22 1 1 A 31 31 ARG CA C 31 62.776 58.719 4.057 1
1 379 . 22 1 1 A 31 31 ARG CB C 31 31.601 30.150 1.451 1
1 382 . 22 1 1 A 31 31 ARG N N 31 121.109 122.914 -1.805 1
1 383 . 22 1 1 A 32 32 LYS H H 32 8.264 8.012 0.252 1
1 384 . 22 1 1 A 32 32 LYS HA H 32 3.912 4.009 -0.097 1
1 393 . 22 1 1 A 32 32 LYS C C 32 172.827 179.332 -6.505 1
1 394 . 22 1 1 A 32 32 LYS CA C 32 61.591 59.783 1.808 1
1 395 . 22 1 1 A 32 32 LYS CB C 32 34.116 32.227 1.889 1
1 399 . 22 1 1 A 32 32 LYS N N 32 118.536 119.145 -0.609 1
1 400 . 22 1 1 A 33 33 GLU H H 33 7.790 8.132 -0.342 1
1 401 . 22 1 1 A 33 33 GLU HA H 33 4.049 3.968 0.081 1
1 406 . 22 1 1 A 33 33 GLU C C 33 174.327 179.248 -4.921 1
1 407 . 22 1 1 A 33 33 GLU CA C 33 60.634 59.024 1.610 1
1 408 . 22 1 1 A 33 33 GLU CB C 33 31.617 29.000 2.617 1
1 410 . 22 1 1 A 33 33 GLU N N 33 121.557 119.365 2.192 1
1 411 . 22 1 1 A 34 34 LEU H H 34 8.388 7.770 0.618 1
1 412 . 22 1 1 A 34 34 LEU HA H 34 3.844 3.836 0.008 1
1 422 . 22 1 1 A 34 34 LEU C C 34 174.927 178.245 -3.318 1
1 423 . 22 1 1 A 34 34 LEU CA C 34 59.173 57.301 1.872 1
1 424 . 22 1 1 A 34 34 LEU CB C 34 42.053 41.854 0.199 1
1 428 . 22 1 1 A 34 34 LEU N N 34 120.999 121.357 -0.358 1
1 429 . 22 1 1 A 35 35 LYS H H 35 7.817 7.607 0.210 1
1 430 . 22 1 1 A 35 35 LYS HA H 35 3.478 3.784 -0.306 1
1 439 . 22 1 1 A 35 35 LYS C C 35 174.627 178.176 -3.549 1
1 440 . 22 1 1 A 35 35 LYS CA C 35 62.312 59.681 2.631 1
1 441 . 22 1 1 A 35 35 LYS CB C 35 33.814 32.077 1.737 1
1 445 . 22 1 1 A 35 35 LYS N N 35 118.738 119.028 -0.290 1
1 446 . 22 1 1 A 36 36 GLU H H 36 7.208 7.506 -0.298 1
1 447 . 22 1 1 A 36 36 GLU HA H 36 3.801 4.076 -0.275 1
1 452 . 22 1 1 A 36 36 GLU C C 36 175.227 178.376 -3.149 1
1 453 . 22 1 1 A 36 36 GLU CA C 36 61.015 58.936 2.079 1
1 454 . 22 1 1 A 36 36 GLU CB C 36 30.770 29.502 1.268 1
1 456 . 22 1 1 A 36 36 GLU N N 36 118.771 119.261 -0.490 1
1 457 . 22 1 1 A 37 37 LEU H H 37 8.038 8.196 -0.158 1
1 458 . 22 1 1 A 37 37 LEU HA H 37 3.178 3.412 -0.234 1
1 468 . 22 1 1 A 37 37 LEU C C 37 172.927 178.262 -5.335 1
1 469 . 22 1 1 A 37 37 LEU CA C 37 60.915 58.083 2.832 1
1 470 . 22 1 1 A 37 37 LEU CB C 37 43.352 41.240 2.112 1
1 474 . 22 1 1 A 37 37 LEU N N 37 121.767 120.356 1.411 1
1 475 . 22 1 1 A 38 38 ILE H H 38 8.224 7.772 0.452 1
1 476 . 22 1 1 A 38 38 ILE HA H 38 3.234 4.092 -0.858 1
1 486 . 22 1 1 A 38 38 ILE C C 38 174.727 176.657 -1.930 1
1 487 . 22 1 1 A 38 38 ILE CA C 38 66.464 63.366 3.098 1
1 488 . 22 1 1 A 38 38 ILE CB C 38 38.799 37.780 1.019 1
1 492 . 22 1 1 A 38 38 ILE N N 38 119.417 119.819 -0.402 1
1 493 . 22 1 1 A 39 39 LYS H H 39 7.700 7.859 -0.159 1
1 494 . 22 1 1 A 39 39 LYS HA H 39 3.894 4.583 -0.689 1
1 503 . 22 1 1 A 39 39 LYS C C 39 173.727 177.088 -3.361 1
1 504 . 22 1 1 A 39 39 LYS CA C 39 61.015 55.273 5.742 1
1 505 . 22 1 1 A 39 39 LYS CB C 39 34.100 33.187 0.913 1
1 509 . 22 1 1 A 39 39 LYS N N 39 117.277 119.078 -1.801 1
1 510 . 22 1 1 A 40 40 LYS H H 40 8.170 7.772 0.398 1
1 511 . 22 1 1 A 40 40 LYS HA H 40 4.226 4.437 -0.211 1
1 520 . 22 1 1 A 40 40 LYS C C 40 173.427 178.386 -4.959 1
1 521 . 22 1 1 A 40 40 LYS CA C 40 59.251 57.014 2.237 1
1 522 . 22 1 1 A 40 40 LYS CB C 40 35.528 34.934 0.594 1
1 526 . 22 1 1 A 40 40 LYS N N 40 115.146 117.388 -2.242 1
1 527 . 22 1 1 A 41 41 GLU H H 41 8.778 8.520 0.258 1
1 528 . 22 1 1 A 41 41 GLU HA H 41 4.629 4.287 0.342 1
1 533 . 22 1 1 A 41 41 GLU C C 41 175.527 176.421 -0.894 1
1 534 . 22 1 1 A 41 41 GLU CA C 41 57.177 58.972 -1.795 1
1 535 . 22 1 1 A 41 41 GLU CB C 41 31.656 29.015 2.641 1
1 537 . 22 1 1 A 41 41 GLU N N 41 113.604 117.494 -3.890 1
1 538 . 22 1 1 A 42 42 LEU H H 42 7.610 7.888 -0.278 1
1 539 . 22 1 1 A 42 42 LEU HA H 42 4.475 4.852 -0.377 1
1 549 . 22 1 1 A 42 42 LEU C C 42 177.227 176.624 0.603 1
1 550 . 22 1 1 A 42 42 LEU CA C 42 56.047 53.178 2.869 1
1 551 . 22 1 1 A 42 42 LEU CB C 42 45.748 45.559 0.189 1
1 555 . 22 1 1 A 42 42 LEU N N 42 118.997 119.989 -0.992 1
1 556 . 22 1 1 A 43 43 CYS H H 43 8.501 8.528 -0.027 1
1 557 . 22 1 1 A 43 43 CYS HA H 43 4.397 4.526 -0.129 1
1 560 . 22 1 1 A 43 43 CYS C C 43 177.327 174.704 2.623 1
1 561 . 22 1 1 A 43 43 CYS CA C 43 60.023 60.493 -0.470 1
1 562 . 22 1 1 A 43 43 CYS CB C 43 27.915 29.166 -1.251 1
1 563 . 22 1 1 A 43 43 CYS N N 43 119.622 120.652 -1.030 1
1 564 . 22 1 1 A 44 44 LEU H H 44 8.200 8.065 0.135 1
1 565 . 22 1 1 A 44 44 LEU HA H 44 3.979 3.973 0.006 1
1 575 . 22 1 1 A 44 44 LEU C C 44 173.927 176.680 -2.753 1
1 576 . 22 1 1 A 44 44 LEU CA C 44 57.244 55.581 1.663 1
1 577 . 22 1 1 A 44 44 LEU CB C 44 43.622 40.612 3.010 1
1 581 . 22 1 1 A 44 44 LEU N N 44 121.955 121.112 0.843 1
1 582 . 22 1 1 A 45 45 GLY H H 45 8.244 8.548 -0.304 1
1 583 . 22 1 1 A 45 45 GLY HA2 H 45 3.849 3.818 0.031 1
1 584 . 22 1 1 A 45 45 GLY HA3 H 45 3.789 3.830 -0.041 1
1 585 . 22 1 1 A 45 45 GLY C C 45 178.027 175.129 2.898 1
1 586 . 22 1 1 A 45 45 GLY CA C 45 47.023 46.449 0.574 1
1 587 . 22 1 1 A 45 45 GLY N N 45 107.702 113.013 -5.311 1
1 588 . 22 1 1 A 46 46 GLU H H 46 8.286 8.550 -0.264 1
1 589 . 22 1 1 A 46 46 GLU HA H 46 4.039 4.168 -0.129 1
1 594 . 22 1 1 A 46 46 GLU C C 46 175.127 175.193 -0.066 1
1 595 . 22 1 1 A 46 46 GLU CA C 46 59.176 56.494 2.682 1
1 596 . 22 1 1 A 46 46 GLU CB C 46 31.361 28.735 2.626 1
1 598 . 22 1 1 A 46 46 GLU N N 46 119.602 120.239 -0.637 1
1 599 . 22 1 1 A 47 47 MET H H 47 8.048 8.065 -0.017 1
1 600 . 22 1 1 A 47 47 MET HA H 47 4.229 4.742 -0.513 1
1 608 . 22 1 1 A 47 47 MET C C 47 175.727 174.981 0.746 1
1 609 . 22 1 1 A 47 47 MET CA C 47 58.183 55.825 2.358 1
1 610 . 22 1 1 A 47 47 MET CB C 47 34.087 34.317 -0.230 1
1 613 . 22 1 1 A 47 47 MET N N 47 119.617 118.256 1.361 1
1 614 . 22 1 1 A 48 48 LYS H H 48 8.221 7.909 0.312 1
1 615 . 22 1 1 A 48 48 LYS HA H 48 4.217 4.592 -0.375 1
1 624 . 22 1 1 A 48 48 LYS C C 48 174.927 175.676 -0.749 1
1 625 . 22 1 1 A 48 48 LYS CA C 48 58.304 54.706 3.598 1
1 626 . 22 1 1 A 48 48 LYS CB C 48 34.548 34.082 0.466 1
1 630 . 22 1 1 A 48 48 LYS N N 48 120.987 117.615 3.372 1
1 631 . 22 1 1 A 49 49 GLU H H 49 8.346 8.816 -0.470 1
1 632 . 22 1 1 A 49 49 GLU HA H 49 3.922 4.137 -0.215 1
1 637 . 22 1 1 A 49 49 GLU C C 49 174.427 178.502 -4.075 1
1 638 . 22 1 1 A 49 49 GLU CA C 49 60.298 58.595 1.703 1
1 639 . 22 1 1 A 49 49 GLU CB C 49 31.065 30.182 0.883 1
1 641 . 22 1 1 A 49 49 GLU N N 49 121.867 124.542 -2.675 1
1 642 . 22 1 1 A 50 50 SER H H 50 8.348 8.381 -0.033 1
1 643 . 22 1 1 A 50 50 SER HA H 50 4.172 4.254 -0.082 1
1 647 . 22 1 1 A 50 50 SER C C 50 176.027 176.351 -0.324 1
1 648 . 22 1 1 A 50 50 SER CA C 50 62.548 61.274 1.274 1
1 649 . 22 1 1 A 50 50 SER CB C 50 64.840 63.068 1.772 1
1 650 . 22 1 1 A 50 50 SER N N 50 115.695 116.617 -0.922 1
1 651 . 22 1 1 A 51 51 SER H H 51 7.980 8.026 -0.046 1
1 652 . 22 1 1 A 51 51 SER HA H 51 4.258 4.242 0.016 1
1 655 . 22 1 1 A 51 51 SER C C 51 174.427 176.536 -2.109 1
1 656 . 22 1 1 A 51 51 SER CA C 51 62.828 62.107 0.721 1
1 657 . 22 1 1 A 51 51 SER CB C 51 64.749 62.973 1.776 1
1 658 . 22 1 1 A 51 51 SER N N 51 117.126 119.176 -2.050 1
1 659 . 22 1 1 A 52 52 ILE H H 52 7.365 7.858 -0.493 1
1 660 . 22 1 1 A 52 52 ILE HA H 52 4.038 3.912 0.126 1
1 670 . 22 1 1 A 52 52 ILE C C 52 175.627 177.695 -2.068 1
1 671 . 22 1 1 A 52 52 ILE CA C 52 64.609 64.331 0.278 1
1 672 . 22 1 1 A 52 52 ILE CB C 52 39.272 37.461 1.811 1
1 676 . 22 1 1 A 52 52 ILE N N 52 117.484 117.846 -0.362 1
1 677 . 22 1 1 A 53 53 ASP H H 53 7.681 8.085 -0.404 1
1 678 . 22 1 1 A 53 53 ASP HA H 53 4.214 4.385 -0.171 1
1 681 . 22 1 1 A 53 53 ASP C C 53 174.027 178.258 -4.231 1
1 682 . 22 1 1 A 53 53 ASP CA C 53 59.799 56.884 2.915 1
1 683 . 22 1 1 A 53 53 ASP CB C 53 42.927 40.525 2.402 1
1 684 . 22 1 1 A 53 53 ASP N N 53 121.969 122.043 -0.074 1
1 685 . 22 1 1 A 54 54 ASP H H 54 8.227 7.888 0.339 1
1 686 . 22 1 1 A 54 54 ASP HA H 54 4.231 4.273 -0.042 1
1 689 . 22 1 1 A 54 54 ASP C C 54 172.927 178.949 -6.022 1
1 690 . 22 1 1 A 54 54 ASP CA C 54 59.507 57.755 1.752 1
1 691 . 22 1 1 A 54 54 ASP CB C 54 41.818 41.552 0.266 1
1 692 . 22 1 1 A 54 54 ASP N N 54 118.083 119.380 -1.297 1
1 693 . 22 1 1 A 55 55 LEU H H 55 7.650 8.109 -0.459 1
1 694 . 22 1 1 A 55 55 LEU HA H 55 4.016 4.158 -0.142 1
1 704 . 22 1 1 A 55 55 LEU C C 55 171.927 179.249 -7.322 1
1 705 . 22 1 1 A 55 55 LEU CA C 55 59.965 57.913 2.052 1
1 706 . 22 1 1 A 55 55 LEU CB C 55 43.370 41.156 2.214 1
1 710 . 22 1 1 A 55 55 LEU N N 55 121.634 120.666 0.968 1
1 711 . 22 1 1 A 56 56 MET H H 56 8.429 8.502 -0.073 1
1 712 . 22 1 1 A 56 56 MET HA H 56 4.325 4.151 0.174 1
1 720 . 22 1 1 A 56 56 MET C C 56 172.527 179.194 -6.667 1
1 721 . 22 1 1 A 56 56 MET CA C 56 59.221 59.442 -0.221 1
1 722 . 22 1 1 A 56 56 MET CB C 56 34.106 32.775 1.331 1
1 725 . 22 1 1 A 56 56 MET N N 56 118.696 117.814 0.882 1
1 726 . 22 1 1 A 57 57 LYS H H 57 8.249 8.589 -0.340 1
1 727 . 22 1 1 A 57 57 LYS HA H 57 3.996 4.165 -0.169 1
1 736 . 22 1 1 A 57 57 LYS C C 57 172.527 179.845 -7.318 1
1 737 . 22 1 1 A 57 57 LYS CA C 57 60.872 59.096 1.776 1
1 738 . 22 1 1 A 57 57 LYS CB C 57 33.853 32.102 1.751 1
1 742 . 22 1 1 A 57 57 LYS N N 57 119.855 119.959 -0.104 1
1 743 . 22 1 1 A 58 58 SER H H 58 7.729 7.979 -0.250 1
1 744 . 22 1 1 A 58 58 SER HA H 58 4.125 4.327 -0.202 1
1 747 . 22 1 1 A 58 58 SER C C 58 176.527 177.121 -0.594 1
1 748 . 22 1 1 A 58 58 SER CA C 58 63.029 60.919 2.110 1
1 749 . 22 1 1 A 58 58 SER CB C 58 64.686 63.269 1.417 1
1 750 . 22 1 1 A 58 58 SER N N 58 115.984 115.027 0.957 1
1 751 . 22 1 1 A 59 59 LEU H H 59 7.288 8.233 -0.945 1
1 752 . 22 1 1 A 59 59 LEU HA H 59 4.058 4.051 0.007 1
1 762 . 22 1 1 A 59 59 LEU C C 59 175.827 178.385 -2.558 1
1 763 . 22 1 1 A 59 59 LEU CA C 59 57.364 57.820 -0.456 1
1 764 . 22 1 1 A 59 59 LEU CB C 59 42.712 41.430 1.282 1
1 768 . 22 1 1 A 59 59 LEU N N 59 120.622 122.867 -2.245 1
1 769 . 22 1 1 A 60 60 ASP H H 60 7.431 8.594 -1.163 1
1 770 . 22 1 1 A 60 60 ASP HA H 60 4.386 4.406 -0.020 1
1 773 . 22 1 1 A 60 60 ASP C C 60 175.927 178.356 -2.429 1
1 774 . 22 1 1 A 60 60 ASP CA C 60 57.012 57.424 -0.412 1
1 775 . 22 1 1 A 60 60 ASP CB C 60 42.351 40.856 1.495 1
1 776 . 22 1 1 A 60 60 ASP N N 60 116.755 119.704 -2.949 1
1 777 . 22 1 1 A 61 61 LYS H H 61 7.243 7.805 -0.562 1
1 778 . 22 1 1 A 61 61 LYS HA H 61 4.223 4.060 0.163 1
1 787 . 22 1 1 A 61 61 LYS C C 61 176.527 177.273 -0.746 1
1 788 . 22 1 1 A 61 61 LYS CA C 61 57.287 59.079 -1.792 1
1 789 . 22 1 1 A 61 61 LYS CB C 61 34.683 32.478 2.205 1
1 793 . 22 1 1 A 61 61 LYS N N 61 119.913 119.193 0.720 1
1 794 . 22 1 1 A 62 62 ASN H H 62 8.725 7.779 0.946 1
1 795 . 22 1 1 A 62 62 ASN HA H 62 4.462 5.037 -0.575 1
1 800 . 22 1 1 A 62 62 ASN C C 62 175.627 175.631 -0.004 1
1 801 . 22 1 1 A 62 62 ASN CA C 62 55.452 52.635 2.817 1
1 802 . 22 1 1 A 62 62 ASN CB C 62 39.336 39.818 -0.482 1
1 803 . 22 1 1 A 62 62 ASN N N 62 120.247 115.970 4.277 1
1 805 . 22 1 1 A 63 63 SER H H 63 8.061 7.497 0.564 1
1 806 . 22 1 1 A 63 63 SER HA H 63 3.957 4.134 -0.177 1
1 809 . 22 1 1 A 63 63 SER C C 63 174.827 174.789 0.038 1
1 810 . 22 1 1 A 63 63 SER CA C 63 62.954 61.399 1.555 1
1 811 . 22 1 1 A 63 63 SER CB C 63 65.586 63.142 2.444 1
1 812 . 22 1 1 A 63 63 SER N N 63 113.249 115.859 -2.610 1
1 813 . 22 1 1 A 64 64 ASP H H 64 8.408 7.917 0.491 1
1 814 . 22 1 1 A 64 64 ASP HA H 64 4.573 4.733 -0.160 1
1 817 . 22 1 1 A 64 64 ASP C C 64 176.027 175.822 0.205 1
1 818 . 22 1 1 A 64 64 ASP CA C 64 55.789 54.101 1.688 1
1 819 . 22 1 1 A 64 64 ASP CB C 64 42.365 41.895 0.470 1
1 820 . 22 1 1 A 64 64 ASP N N 64 117.587 117.633 -0.046 1
1 821 . 22 1 1 A 65 65 GLN H H 65 7.779 7.386 0.393 1
1 822 . 22 1 1 A 65 65 GLN HA H 65 4.026 4.689 -0.663 1
1 829 . 22 1 1 A 65 65 GLN C C 65 176.827 175.372 1.455 1
1 830 . 22 1 1 A 65 65 GLN CA C 65 58.241 54.289 3.952 1
1 831 . 22 1 1 A 65 65 GLN CB C 65 31.309 30.249 1.060 1
1 833 . 22 1 1 A 65 65 GLN N N 65 121.059 118.621 2.438 1
1 835 . 22 1 1 A 66 66 GLU H H 66 8.365 8.642 -0.277 1
1 836 . 22 1 1 A 66 66 GLU HA H 66 4.320 4.850 -0.530 1
1 841 . 22 1 1 A 66 66 GLU C C 66 176.227 176.599 -0.372 1
1 842 . 22 1 1 A 66 66 GLU CA C 66 58.238 56.620 1.618 1
1 843 . 22 1 1 A 66 66 GLU CB C 66 32.567 30.839 1.728 1
1 845 . 22 1 1 A 66 66 GLU N N 66 123.061 120.643 2.418 1
1 846 . 22 1 1 A 67 67 ILE H H 67 9.350 9.331 0.019 1
1 847 . 22 1 1 A 67 67 ILE HA H 67 4.543 5.060 -0.517 1
1 857 . 22 1 1 A 67 67 ILE C C 67 178.127 175.015 3.112 1
1 858 . 22 1 1 A 67 67 ILE CA C 67 61.173 58.930 2.243 1
1 859 . 22 1 1 A 67 67 ILE CB C 67 41.460 42.109 -0.649 1
1 863 . 22 1 1 A 67 67 ILE N N 67 121.809 118.227 3.582 1
1 864 . 22 1 1 A 68 68 ASP H H 68 8.140 8.522 -0.382 1
1 865 . 22 1 1 A 68 68 ASP HA H 68 5.408 5.307 0.101 1
1 868 . 22 1 1 A 68 68 ASP C C 68 176.127 176.573 -0.446 1
1 869 . 22 1 1 A 68 68 ASP CA C 68 53.471 52.360 1.111 1
1 870 . 22 1 1 A 68 68 ASP CB C 68 43.898 42.196 1.702 1
1 871 . 22 1 1 A 68 68 ASP N N 68 122.626 122.284 0.342 1
1 872 . 22 1 1 A 69 69 PHE H H 69 9.486 9.065 0.421 1
1 873 . 22 1 1 A 69 69 PHE HA H 69 3.397 3.498 -0.101 1
1 880 . 22 1 1 A 69 69 PHE C C 69 174.727 177.533 -2.806 1
1 881 . 22 1 1 A 69 69 PHE CA C 69 63.764 60.712 3.052 1
1 882 . 22 1 1 A 69 69 PHE CB C 69 42.009 39.138 2.871 1
1 883 . 22 1 1 A 69 69 PHE N N 69 118.584 120.137 -1.553 1
1 884 . 22 1 1 A 70 70 LYS H H 70 7.510 8.427 -0.917 1
1 885 . 22 1 1 A 70 70 LYS HA H 70 3.633 3.795 -0.162 1
1 894 . 22 1 1 A 70 70 LYS C C 70 173.627 178.955 -5.328 1
1 895 . 22 1 1 A 70 70 LYS CA C 70 61.940 59.630 2.310 1
1 896 . 22 1 1 A 70 70 LYS CB C 70 33.189 31.922 1.267 1
1 900 . 22 1 1 A 70 70 LYS N N 70 117.327 119.455 -2.128 1
1 901 . 22 1 1 A 71 71 GLU H H 71 8.151 8.157 -0.006 1
1 902 . 22 1 1 A 71 71 GLU HA H 71 3.930 4.066 -0.136 1
1 907 . 22 1 1 A 71 71 GLU C C 71 173.127 178.803 -5.676 1
1 908 . 22 1 1 A 71 71 GLU CA C 71 61.000 59.274 1.726 1
1 909 . 22 1 1 A 71 71 GLU CB C 71 31.639 29.435 2.204 1
1 911 . 22 1 1 A 71 71 GLU N N 71 120.925 118.059 2.866 1
1 912 . 22 1 1 A 72 72 TYR H H 72 8.454 8.023 0.431 1
1 913 . 22 1 1 A 72 72 TYR HA H 72 4.047 4.185 -0.138 1
1 920 . 22 1 1 A 72 72 TYR C C 72 177.227 177.999 -0.772 1
1 921 . 22 1 1 A 72 72 TYR CA C 72 62.068 61.409 0.659 1
1 922 . 22 1 1 A 72 72 TYR CB C 72 39.522 38.557 0.965 1
1 923 . 22 1 1 A 72 72 TYR N N 72 123.271 122.895 0.376 1
1 924 . 22 1 1 A 73 73 SER H H 73 7.990 8.183 -0.193 1
1 925 . 22 1 1 A 73 73 SER HA H 73 3.245 3.909 -0.664 1
1 928 . 22 1 1 A 73 73 SER C C 73 174.327 176.523 -2.196 1
1 929 . 22 1 1 A 73 73 SER CA C 73 62.841 61.218 1.623 1
1 930 . 22 1 1 A 73 73 SER CB C 73 64.317 62.236 2.081 1
1 931 . 22 1 1 A 73 73 SER N N 73 115.432 114.432 1.000 1
1 932 . 22 1 1 A 74 74 VAL H H 74 8.112 7.953 0.159 1
1 933 . 22 1 1 A 74 74 VAL HA H 74 3.375 3.761 -0.386 1
1 941 . 22 1 1 A 74 74 VAL C C 74 174.427 178.184 -3.757 1
1 942 . 22 1 1 A 74 74 VAL CA C 74 68.677 65.702 2.975 1
1 943 . 22 1 1 A 74 74 VAL CB C 74 33.164 31.446 1.718 1
1 946 . 22 1 1 A 74 74 VAL N N 74 123.807 119.097 4.710 1
1 947 . 22 1 1 A 75 75 PHE H H 75 8.149 8.156 -0.007 1
1 948 . 22 1 1 A 75 75 PHE HA H 75 3.878 4.194 -0.316 1
1 955 . 22 1 1 A 75 75 PHE C C 75 174.627 177.097 -2.470 1
1 956 . 22 1 1 A 75 75 PHE CA C 75 64.444 61.368 3.076 1
1 957 . 22 1 1 A 75 75 PHE CB C 75 40.823 39.022 1.801 1
1 958 . 22 1 1 A 75 75 PHE N N 75 122.351 123.994 -1.643 1
1 959 . 22 1 1 A 76 76 LEU H H 76 8.141 8.647 -0.506 1
1 960 . 22 1 1 A 76 76 LEU HA H 76 3.648 3.816 -0.168 1
1 970 . 22 1 1 A 76 76 LEU C C 76 173.327 179.210 -5.883 1
1 971 . 22 1 1 A 76 76 LEU CA C 76 59.810 58.048 1.762 1
1 972 . 22 1 1 A 76 76 LEU CB C 76 42.994 41.319 1.675 1
1 976 . 22 1 1 A 76 76 LEU N N 76 116.801 119.268 -2.467 1
1 977 . 22 1 1 A 77 77 THR H H 77 8.005 7.915 0.090 1
1 978 . 22 1 1 A 77 77 THR HA H 77 3.561 3.791 -0.230 1
1 984 . 22 1 1 A 77 77 THR C C 77 176.427 175.540 0.887 1
1 985 . 22 1 1 A 77 77 THR CA C 77 69.876 66.427 3.449 1
1 986 . 22 1 1 A 77 77 THR CB C 77 71.163 68.478 2.685 1
1 988 . 22 1 1 A 77 77 THR N N 77 116.415 116.161 0.254 1
1 989 . 22 1 1 A 78 78 MET H H 78 8.059 8.556 -0.497 1
1 990 . 22 1 1 A 78 78 MET HA H 78 3.771 4.025 -0.254 1
1 995 . 22 1 1 A 78 78 MET C C 78 172.927 178.454 -5.527 1
1 996 . 22 1 1 A 78 78 MET CA C 78 60.751 58.209 2.542 1
1 997 . 22 1 1 A 78 78 MET CB C 78 33.255 32.007 1.248 1
1 999 . 22 1 1 A 78 78 MET N N 78 120.960 119.727 1.233 1
1 1000 . 22 1 1 A 79 79 LEU H H 79 8.007 8.289 -0.282 1
1 1001 . 22 1 1 A 79 79 LEU HA H 79 3.646 3.922 -0.276 1
1 1011 . 22 1 1 A 79 79 LEU C C 79 174.527 178.233 -3.706 1
1 1012 . 22 1 1 A 79 79 LEU CA C 79 59.756 57.749 2.007 1
1 1013 . 22 1 1 A 79 79 LEU CB C 79 42.961 41.523 1.438 1
1 1017 . 22 1 1 A 79 79 LEU N N 79 120.772 120.444 0.328 1
1 1018 . 22 1 1 A 80 80 CYS H H 80 8.268 8.285 -0.017 1
1 1019 . 22 1 1 A 80 80 CYS HA H 80 3.344 3.667 -0.323 1
1 1022 . 22 1 1 A 80 80 CYS C C 80 176.127 177.259 -1.132 1
1 1023 . 22 1 1 A 80 80 CYS CA C 80 64.083 62.498 1.585 1
1 1024 . 22 1 1 A 80 80 CYS CB C 80 28.199 26.522 1.677 1
1 1025 . 22 1 1 A 80 80 CYS N N 80 118.257 118.009 0.248 1
1 1026 . 22 1 1 A 81 81 MET H H 81 7.600 8.233 -0.633 1
1 1027 . 22 1 1 A 81 81 MET HA H 81 3.242 4.277 -1.035 1
1 1035 . 22 1 1 A 81 81 MET C C 81 176.227 177.332 -1.105 1
1 1036 . 22 1 1 A 81 81 MET CA C 81 60.091 56.288 3.803 1
1 1037 . 22 1 1 A 81 81 MET CB C 81 34.090 31.547 2.543 1
1 1040 . 22 1 1 A 81 81 MET N N 81 114.515 119.250 -4.735 1
1 1041 . 22 1 1 A 82 82 ALA H H 82 7.299 7.176 0.123 1
1 1042 . 22 1 1 A 82 82 ALA HA H 82 4.121 4.092 0.029 1
1 1046 . 22 1 1 A 82 82 ALA C C 82 173.827 177.208 -3.381 1
1 1047 . 22 1 1 A 82 82 ALA CA C 82 54.930 54.103 0.827 1
1 1048 . 22 1 1 A 82 82 ALA CB C 82 20.641 18.644 1.997 1
1 1049 . 22 1 1 A 82 82 ALA N N 82 118.977 121.097 -2.120 1
1 1050 . 22 1 1 A 83 83 TYR H H 83 7.623 6.842 0.781 1
1 1051 . 22 1 1 A 83 83 TYR HA H 83 4.771 4.624 0.147 1
1 1058 . 22 1 1 A 83 83 TYR CA C 83 59.333 56.699 2.634 1
1 1059 . 22 1 1 A 83 83 TYR CB C 83 41.599 38.385 3.214 1
1 1060 . 22 1 1 A 83 83 TYR N N 83 113.311 113.690 -0.379 1
1 1061 . 22 1 1 A 84 84 ASN HA H 84 4.534 4.057 0.477 1
1 1064 . 22 1 1 A 84 84 ASN CA C 84 56.126 52.553 3.573 1
1 1065 . 22 1 1 A 84 84 ASN CB C 84 41.990 37.169 4.821 1
1 1066 . 22 1 1 A 85 85 ASP H H 85 8.681 8.195 0.486 1
1 1067 . 22 1 1 A 85 85 ASP HA H 85 4.086 4.257 -0.171 1
1 1070 . 22 1 1 A 85 85 ASP CA C 85 58.457 56.356 2.101 1
1 1071 . 22 1 1 A 85 85 ASP CB C 85 42.260 39.322 2.938 1
1 1072 . 22 1 1 A 85 85 ASP N N 85 126.079 120.875 5.204 1
1 1073 . 22 1 1 A 86 86 PHE H H 86 8.672 7.687 0.985 1
1 1074 . 22 1 1 A 86 86 PHE HA H 86 3.744 4.278 -0.534 1
1 1081 . 22 1 1 A 86 86 PHE C C 86 176.827 177.293 -0.466 1
1 1082 . 22 1 1 A 86 86 PHE CA C 86 62.903 60.891 2.012 1
1 1083 . 22 1 1 A 86 86 PHE CB C 86 41.596 38.213 3.383 1
1 1084 . 22 1 1 A 86 86 PHE N N 86 121.950 117.430 4.520 1
1 1085 . 22 1 1 A 87 87 PHE H H 87 7.225 7.580 -0.355 1
1 1086 . 22 1 1 A 87 87 PHE HA H 87 3.836 4.667 -0.831 1
1 1093 . 22 1 1 A 87 87 PHE C C 87 176.927 175.527 1.400 1
1 1094 . 22 1 1 A 87 87 PHE CA C 87 60.422 58.503 1.919 1
1 1095 . 22 1 1 A 87 87 PHE CB C 87 41.081 39.833 1.248 1
1 1096 . 22 1 1 A 87 87 PHE N N 87 110.928 116.500 -5.572 1
1 1097 . 22 1 1 A 88 88 LEU H H 88 7.130 7.549 -0.419 1
1 1098 . 22 1 1 A 88 88 LEU HA H 88 4.169 4.820 -0.651 1
1 1108 . 22 1 1 A 88 88 LEU C C 88 175.027 176.530 -1.503 1
1 1109 . 22 1 1 A 88 88 LEU CA C 88 56.962 53.297 3.665 1
1 1110 . 22 1 1 A 88 88 LEU CB C 88 44.199 45.308 -1.109 1
1 1114 . 22 1 1 A 88 88 LEU N N 88 119.732 119.564 0.168 1
1 1115 . 22 1 1 A 89 89 GLU H H 89 8.097 8.730 -0.633 1
1 1116 . 22 1 1 A 89 89 GLU HA H 89 4.087 4.481 -0.394 1
1 1121 . 22 1 1 A 89 89 GLU C C 89 176.427 175.749 0.678 1
1 1122 . 22 1 1 A 89 89 GLU CA C 89 58.216 56.949 1.267 1
1 1123 . 22 1 1 A 89 89 GLU CB C 89 32.309 30.990 1.319 1
1 1125 . 22 1 1 A 89 89 GLU N N 89 121.626 119.303 2.323 1
1 1126 . 22 1 1 A 90 90 ASP H H 90 8.243 7.835 0.408 1
1 1127 . 22 1 1 A 90 90 ASP HA H 90 4.425 4.849 -0.424 1
1 1130 . 22 1 1 A 90 90 ASP C C 90 176.527 174.841 1.686 1
1 1131 . 22 1 1 A 90 90 ASP CA C 90 55.815 55.188 0.627 1
1 1132 . 22 1 1 A 90 90 ASP CB C 90 42.874 41.642 1.232 1
1 1133 . 22 1 1 A 90 90 ASP N N 90 121.280 118.577 2.703 1
1 1134 . 22 1 1 A 91 91 ASN H H 91 8.267 8.235 0.032 1
1 1135 . 22 1 1 A 91 91 ASN HA H 91 4.563 4.944 -0.381 1
1 1140 . 22 1 1 A 91 91 ASN C C 91 178.127 174.842 3.285 1
1 1141 . 22 1 1 A 91 91 ASN CA C 91 54.928 52.529 2.399 1
1 1142 . 22 1 1 A 91 91 ASN CB C 91 40.529 40.099 0.430 1
1 1143 . 22 1 1 A 91 91 ASN N N 91 119.209 117.807 1.402 1
1 14 . 23 1 1 A 2 2 GLU H H 2 8.722 8.491 0.231 1
1 15 . 23 1 1 A 2 2 GLU HA H 2 4.557 4.533 0.024 1
1 20 . 23 1 1 A 2 2 GLU C C 2 175.827 176.364 -0.537 1
1 21 . 23 1 1 A 2 2 GLU CA C 2 58.063 57.778 0.285 1
1 22 . 23 1 1 A 2 2 GLU CB C 2 33.147 31.307 1.840 1
1 24 . 23 1 1 A 2 2 GLU N N 2 124.627 123.717 0.910 1
1 25 . 23 1 1 A 3 3 THR H H 3 8.670 7.753 0.917 1
1 26 . 23 1 1 A 3 3 THR HA H 3 4.616 4.596 0.020 1
1 31 . 23 1 1 A 3 3 THR CA C 3 61.734 59.567 2.167 1
1 32 . 23 1 1 A 3 3 THR CB C 3 70.590 70.079 0.511 1
1 34 . 23 1 1 A 3 3 THR N N 3 116.274 112.314 3.960 1
1 35 . 23 1 1 A 4 4 PRO HA H 4 4.161 4.522 -0.361 1
1 42 . 23 1 1 A 4 4 PRO C C 4 172.227 178.170 -5.943 1
1 43 . 23 1 1 A 4 4 PRO CA C 4 68.211 64.697 3.514 1
1 44 . 23 1 1 A 4 4 PRO CB C 4 33.796 32.065 1.731 1
1 47 . 23 1 1 A 5 5 LEU H H 5 9.207 7.640 1.567 1
1 48 . 23 1 1 A 5 5 LEU HA H 5 4.038 4.044 -0.006 1
1 58 . 23 1 1 A 5 5 LEU C C 5 174.327 178.100 -3.773 1
1 59 . 23 1 1 A 5 5 LEU CA C 5 59.483 57.295 2.188 1
1 60 . 23 1 1 A 5 5 LEU CB C 5 43.877 41.812 2.065 1
1 64 . 23 1 1 A 5 5 LEU N N 5 119.157 117.582 1.575 1
1 65 . 23 1 1 A 6 6 GLU H H 6 7.661 8.118 -0.457 1
1 66 . 23 1 1 A 6 6 GLU HA H 6 3.755 3.918 -0.163 1
1 71 . 23 1 1 A 6 6 GLU C C 6 172.727 179.040 -6.313 1
1 72 . 23 1 1 A 6 6 GLU CA C 6 61.953 59.821 2.132 1
1 73 . 23 1 1 A 6 6 GLU CB C 6 31.354 29.179 2.175 1
1 75 . 23 1 1 A 6 6 GLU N N 6 119.837 119.352 0.485 1
1 76 . 23 1 1 A 7 7 LYS H H 7 8.430 8.144 0.286 1
1 77 . 23 1 1 A 7 7 LYS HA H 7 3.921 4.124 -0.203 1
1 86 . 23 1 1 A 7 7 LYS C C 7 172.927 179.039 -6.112 1
1 87 . 23 1 1 A 7 7 LYS CA C 7 61.312 58.986 2.326 1
1 88 . 23 1 1 A 7 7 LYS CB C 7 33.861 31.745 2.116 1
1 92 . 23 1 1 A 7 7 LYS N N 7 119.023 119.204 -0.181 1
1 93 . 23 1 1 A 8 8 ALA H H 8 8.079 7.756 0.323 1
1 94 . 23 1 1 A 8 8 ALA HA H 8 4.085 4.077 0.008 1
1 98 . 23 1 1 A 8 8 ALA C C 8 173.027 180.217 -7.190 1
1 99 . 23 1 1 A 8 8 ALA CA C 8 56.967 54.869 2.098 1
1 100 . 23 1 1 A 8 8 ALA CB C 8 20.140 18.336 1.804 1
1 101 . 23 1 1 A 8 8 ALA N N 8 123.824 122.640 1.184 1
1 102 . 23 1 1 A 9 9 LEU H H 9 8.032 8.373 -0.341 1
1 103 . 23 1 1 A 9 9 LEU HA H 9 4.061 4.060 0.001 1
1 113 . 23 1 1 A 9 9 LEU C C 9 172.527 179.176 -6.649 1
1 114 . 23 1 1 A 9 9 LEU CA C 9 60.071 58.168 1.903 1
1 115 . 23 1 1 A 9 9 LEU CB C 9 42.714 41.527 1.187 1
1 119 . 23 1 1 A 9 9 LEU N N 9 118.643 118.328 0.315 1
1 120 . 23 1 1 A 10 10 THR H H 10 8.686 8.229 0.457 1
1 121 . 23 1 1 A 10 10 THR HA H 10 3.798 3.880 -0.082 1
1 126 . 23 1 1 A 10 10 THR C C 10 175.127 176.358 -1.231 1
1 127 . 23 1 1 A 10 10 THR CA C 10 69.282 66.706 2.576 1
1 128 . 23 1 1 A 10 10 THR CB C 10 70.132 68.567 1.565 1
1 130 . 23 1 1 A 10 10 THR N N 10 117.087 115.742 1.345 1
1 131 . 23 1 1 A 11 11 THR H H 11 8.628 8.295 0.333 1
1 132 . 23 1 1 A 11 11 THR HA H 11 3.961 3.986 -0.025 1
1 137 . 23 1 1 A 11 11 THR C C 11 174.427 176.713 -2.286 1
1 138 . 23 1 1 A 11 11 THR CA C 11 68.408 66.850 1.558 1
1 139 . 23 1 1 A 11 11 THR CB C 11 69.107 68.457 0.650 1
1 141 . 23 1 1 A 11 11 THR N N 11 120.770 116.213 4.557 1
1 142 . 23 1 1 A 12 12 MET H H 12 8.390 8.298 0.092 1
1 143 . 23 1 1 A 12 12 MET HA H 12 3.956 4.539 -0.583 1
1 151 . 23 1 1 A 12 12 MET C C 12 175.127 178.497 -3.370 1
1 152 . 23 1 1 A 12 12 MET CA C 12 62.750 57.828 4.922 1
1 153 . 23 1 1 A 12 12 MET CB C 12 34.952 33.110 1.842 1
1 156 . 23 1 1 A 12 12 MET N N 12 124.388 118.668 5.720 1
1 157 . 23 1 1 A 13 13 VAL H H 13 8.104 8.300 -0.196 1
1 158 . 23 1 1 A 13 13 VAL HA H 13 3.576 3.623 -0.047 1
1 166 . 23 1 1 A 13 13 VAL C C 13 175.327 177.991 -2.664 1
1 167 . 23 1 1 A 13 13 VAL CA C 13 68.958 65.630 3.328 1
1 168 . 23 1 1 A 13 13 VAL CB C 13 33.703 31.328 2.375 1
1 171 . 23 1 1 A 13 13 VAL N N 13 121.753 116.865 4.888 1
1 172 . 23 1 1 A 14 14 THR H H 14 9.186 8.409 0.777 1
1 173 . 23 1 1 A 14 14 THR HA H 14 3.774 3.972 -0.198 1
1 178 . 23 1 1 A 14 14 THR C C 14 173.927 177.253 -3.326 1
1 179 . 23 1 1 A 14 14 THR CA C 14 67.955 65.967 1.988 1
1 180 . 23 1 1 A 14 14 THR CB C 14 70.504 68.785 1.719 1
1 182 . 23 1 1 A 14 14 THR N N 14 114.911 116.492 -1.581 1
1 183 . 23 1 1 A 15 15 THR H H 15 8.453 8.288 0.165 1
1 184 . 23 1 1 A 15 15 THR HA H 15 3.859 4.223 -0.364 1
1 190 . 23 1 1 A 15 15 THR C C 15 178.127 176.743 1.384 1
1 191 . 23 1 1 A 15 15 THR CA C 15 69.609 65.823 3.786 1
1 192 . 23 1 1 A 15 15 THR CB C 15 70.511 68.534 1.977 1
1 194 . 23 1 1 A 15 15 THR N N 15 118.791 112.369 6.422 1
1 195 . 23 1 1 A 16 16 PHE H H 16 7.207 8.354 -1.147 1
1 196 . 23 1 1 A 16 16 PHE HA H 16 3.572 4.040 -0.468 1
1 203 . 23 1 1 A 16 16 PHE C C 16 178.527 177.426 1.101 1
1 204 . 23 1 1 A 16 16 PHE CA C 16 64.090 61.546 2.544 1
1 205 . 23 1 1 A 16 16 PHE CB C 16 41.091 38.933 2.158 1
1 206 . 23 1 1 A 16 16 PHE N N 16 121.331 124.663 -3.332 1
1 207 . 23 1 1 A 17 17 HIS H H 17 8.393 8.574 -0.181 1
1 208 . 23 1 1 A 17 17 HIS HA H 17 5.329 4.083 1.246 1
1 211 . 23 1 1 A 17 17 HIS C C 17 174.627 177.014 -2.387 1
1 212 . 23 1 1 A 17 17 HIS CA C 17 56.667 59.951 -3.284 1
1 213 . 23 1 1 A 17 17 HIS CB C 17 32.397 29.956 2.441 1
1 214 . 23 1 1 A 17 17 HIS N N 17 117.858 118.867 -1.009 1
1 215 . 23 1 1 A 18 18 LYS H H 18 7.767 8.257 -0.490 1
1 216 . 23 1 1 A 18 18 LYS HA H 18 3.553 3.961 -0.408 1
1 225 . 23 1 1 A 18 18 LYS C C 18 175.527 177.133 -1.606 1
1 226 . 23 1 1 A 18 18 LYS CA C 18 61.301 58.889 2.412 1
1 227 . 23 1 1 A 18 18 LYS CB C 18 33.523 31.888 1.635 1
1 231 . 23 1 1 A 18 18 LYS N N 18 120.691 118.781 1.910 1
1 232 . 23 1 1 A 19 19 TYR H H 19 7.079 7.386 -0.307 1
1 233 . 23 1 1 A 19 19 TYR HA H 19 3.993 4.482 -0.489 1
1 240 . 23 1 1 A 19 19 TYR C C 19 174.227 177.858 -3.631 1
1 241 . 23 1 1 A 19 19 TYR CA C 19 61.287 59.039 2.248 1
1 242 . 23 1 1 A 19 19 TYR CB C 19 42.066 40.120 1.946 1
1 243 . 23 1 1 A 19 19 TYR N N 19 114.592 116.671 -2.079 1
1 244 . 23 1 1 A 20 20 SER H H 20 9.708 7.824 1.884 1
1 245 . 23 1 1 A 20 20 SER HA H 20 4.117 4.158 -0.041 1
1 248 . 23 1 1 A 20 20 SER C C 20 175.227 175.027 0.200 1
1 249 . 23 1 1 A 20 20 SER CA C 20 60.135 61.031 -0.896 1
1 250 . 23 1 1 A 20 20 SER CB C 20 63.159 62.319 0.840 1
1 251 . 23 1 1 A 20 20 SER N N 20 121.764 115.836 5.928 1
1 252 . 23 1 1 A 21 21 GLY H H 21 8.146 7.782 0.364 1
1 253 . 23 1 1 A 21 21 GLY HA2 H 21 3.956 3.796 0.160 1
1 254 . 23 1 1 A 21 21 GLY HA3 H 21 3.571 3.904 -0.333 1
1 255 . 23 1 1 A 21 21 GLY C C 21 177.927 174.429 3.498 1
1 256 . 23 1 1 A 21 21 GLY CA C 21 46.646 45.843 0.803 1
1 257 . 23 1 1 A 21 21 GLY N N 21 106.982 108.904 -1.922 1
1 258 . 23 1 1 A 22 22 ARG H H 22 7.007 8.500 -1.493 1
1 259 . 23 1 1 A 22 22 ARG HA H 22 3.815 4.463 -0.648 1
1 266 . 23 1 1 A 22 22 ARG C C 22 175.927 176.532 -0.605 1
1 267 . 23 1 1 A 22 22 ARG CA C 22 60.766 56.509 4.257 1
1 268 . 23 1 1 A 22 22 ARG CB C 22 32.302 31.988 0.314 1
1 271 . 23 1 1 A 22 22 ARG N N 22 118.055 123.118 -5.063 1
1 272 . 23 1 1 A 23 23 GLU H H 23 7.551 8.056 -0.505 1
1 273 . 23 1 1 A 23 23 GLU HA H 23 4.436 4.560 -0.124 1
1 278 . 23 1 1 A 23 23 GLU C C 23 177.727 176.058 1.669 1
1 279 . 23 1 1 A 23 23 GLU CA C 23 56.853 56.950 -0.097 1
1 280 . 23 1 1 A 23 23 GLU CB C 23 33.988 31.406 2.582 1
1 282 . 23 1 1 A 23 23 GLU N N 23 114.631 118.226 -3.595 1
1 283 . 23 1 1 A 24 24 GLY H H 24 8.376 8.260 0.116 1
1 284 . 23 1 1 A 24 24 GLY HA2 H 24 3.771 4.045 -0.274 1
1 285 . 23 1 1 A 24 24 GLY HA3 H 24 3.567 4.065 -0.498 1
1 286 . 23 1 1 A 24 24 GLY C C 24 177.127 174.219 2.908 1
1 287 . 23 1 1 A 24 24 GLY CA C 24 47.718 43.867 3.851 1
1 288 . 23 1 1 A 24 24 GLY N N 24 107.626 108.445 -0.819 1
1 289 . 23 1 1 A 25 25 SER H H 25 8.443 8.651 -0.208 1
1 290 . 23 1 1 A 25 25 SER HA H 25 4.314 4.152 0.162 1
1 293 . 23 1 1 A 25 25 SER C C 25 175.527 174.849 0.678 1
1 294 . 23 1 1 A 25 25 SER CA C 25 59.146 58.895 0.251 1
1 295 . 23 1 1 A 25 25 SER CB C 25 65.573 61.493 4.080 1
1 296 . 23 1 1 A 25 25 SER N N 25 119.000 113.511 5.489 1
1 297 . 23 1 1 A 26 26 LYS H H 26 8.821 8.010 0.811 1
1 298 . 23 1 1 A 26 26 LYS HA H 26 4.307 3.933 0.374 1
1 307 . 23 1 1 A 26 26 LYS C C 26 176.027 176.856 -0.829 1
1 308 . 23 1 1 A 26 26 LYS CA C 26 59.180 58.050 1.130 1
1 309 . 23 1 1 A 26 26 LYS CB C 26 33.211 31.487 1.724 1
1 313 . 23 1 1 A 26 26 LYS N N 26 126.125 119.231 6.894 1
1 314 . 23 1 1 A 27 27 LEU H H 27 8.237 7.794 0.443 1
1 315 . 23 1 1 A 27 27 LEU HA H 27 4.534 4.699 -0.165 1
1 325 . 23 1 1 A 27 27 LEU C C 27 175.627 176.515 -0.888 1
1 326 . 23 1 1 A 27 27 LEU CA C 27 56.384 55.249 1.135 1
1 327 . 23 1 1 A 27 27 LEU CB C 27 44.218 42.858 1.360 1
1 331 . 23 1 1 A 27 27 LEU N N 27 117.484 115.970 1.514 1
1 332 . 23 1 1 A 28 28 THR H H 28 7.386 7.407 -0.021 1
1 333 . 23 1 1 A 28 28 THR HA H 28 5.517 5.085 0.432 1
1 338 . 23 1 1 A 28 28 THR C C 28 180.227 172.105 8.122 1
1 339 . 23 1 1 A 28 28 THR CA C 28 61.014 61.146 -0.132 1
1 340 . 23 1 1 A 28 28 THR CB C 28 75.348 71.781 3.567 1
1 342 . 23 1 1 A 28 28 THR N N 28 106.230 109.346 -3.116 1
1 343 . 23 1 1 A 29 29 LEU H H 29 8.721 8.360 0.361 1
1 344 . 23 1 1 A 29 29 LEU HA H 29 4.713 4.746 -0.033 1
1 354 . 23 1 1 A 29 29 LEU C C 29 176.927 175.510 1.417 1
1 355 . 23 1 1 A 29 29 LEU CA C 29 55.163 53.589 1.574 1
1 356 . 23 1 1 A 29 29 LEU CB C 29 46.059 44.681 1.378 1
1 360 . 23 1 1 A 29 29 LEU N N 29 116.728 116.497 0.231 1
1 361 . 23 1 1 A 30 30 SER H H 30 8.866 8.427 0.439 1
1 362 . 23 1 1 A 30 30 SER HA H 30 4.942 5.078 -0.136 1
1 365 . 23 1 1 A 30 30 SER C C 30 176.327 175.903 0.424 1
1 366 . 23 1 1 A 30 30 SER CA C 30 59.032 56.610 2.422 1
1 367 . 23 1 1 A 30 30 SER CB C 30 67.150 66.031 1.119 1
1 368 . 23 1 1 A 30 30 SER N N 30 117.110 114.066 3.044 1
1 369 . 23 1 1 A 31 31 ARG H H 31 8.393 8.587 -0.194 1
1 370 . 23 1 1 A 31 31 ARG HA H 31 3.695 3.942 -0.247 1
1 377 . 23 1 1 A 31 31 ARG C C 31 174.127 178.264 -4.137 1
1 378 . 23 1 1 A 31 31 ARG CA C 31 62.776 59.965 2.811 1
1 379 . 23 1 1 A 31 31 ARG CB C 31 31.601 29.778 1.823 1
1 382 . 23 1 1 A 31 31 ARG N N 31 121.109 121.315 -0.206 1
1 383 . 23 1 1 A 32 32 LYS H H 32 8.264 7.619 0.645 1
1 384 . 23 1 1 A 32 32 LYS HA H 32 3.912 4.118 -0.206 1
1 393 . 23 1 1 A 32 32 LYS C C 32 172.827 179.058 -6.231 1
1 394 . 23 1 1 A 32 32 LYS CA C 32 61.591 59.205 2.386 1
1 395 . 23 1 1 A 32 32 LYS CB C 32 34.116 32.301 1.815 1
1 399 . 23 1 1 A 32 32 LYS N N 32 118.536 118.719 -0.183 1
1 400 . 23 1 1 A 33 33 GLU H H 33 7.790 7.613 0.177 1
1 401 . 23 1 1 A 33 33 GLU HA H 33 4.049 3.995 0.054 1
1 406 . 23 1 1 A 33 33 GLU C C 33 174.327 178.639 -4.312 1
1 407 . 23 1 1 A 33 33 GLU CA C 33 60.634 58.821 1.813 1
1 408 . 23 1 1 A 33 33 GLU CB C 33 31.617 29.549 2.068 1
1 410 . 23 1 1 A 33 33 GLU N N 33 121.557 120.017 1.540 1
1 411 . 23 1 1 A 34 34 LEU H H 34 8.388 8.286 0.102 1
1 412 . 23 1 1 A 34 34 LEU HA H 34 3.844 3.815 0.029 1
1 422 . 23 1 1 A 34 34 LEU C C 34 174.927 178.125 -3.198 1
1 423 . 23 1 1 A 34 34 LEU CA C 34 59.173 58.181 0.992 1
1 424 . 23 1 1 A 34 34 LEU CB C 34 42.053 41.589 0.464 1
1 428 . 23 1 1 A 34 34 LEU N N 34 120.999 121.736 -0.737 1
1 429 . 23 1 1 A 35 35 LYS H H 35 7.817 8.130 -0.313 1
1 430 . 23 1 1 A 35 35 LYS HA H 35 3.478 3.796 -0.318 1
1 439 . 23 1 1 A 35 35 LYS C C 35 174.627 178.355 -3.728 1
1 440 . 23 1 1 A 35 35 LYS CA C 35 62.312 58.893 3.419 1
1 441 . 23 1 1 A 35 35 LYS CB C 35 33.814 32.046 1.768 1
1 445 . 23 1 1 A 35 35 LYS N N 35 118.738 117.402 1.336 1
1 446 . 23 1 1 A 36 36 GLU H H 36 7.208 7.546 -0.338 1
1 447 . 23 1 1 A 36 36 GLU HA H 36 3.801 4.087 -0.286 1
1 452 . 23 1 1 A 36 36 GLU C C 36 175.227 178.315 -3.088 1
1 453 . 23 1 1 A 36 36 GLU CA C 36 61.015 58.857 2.158 1
1 454 . 23 1 1 A 36 36 GLU CB C 36 30.770 29.261 1.509 1
1 456 . 23 1 1 A 36 36 GLU N N 36 118.771 119.308 -0.537 1
1 457 . 23 1 1 A 37 37 LEU H H 37 8.038 8.089 -0.051 1
1 458 . 23 1 1 A 37 37 LEU HA H 37 3.178 3.570 -0.392 1
1 468 . 23 1 1 A 37 37 LEU C C 37 172.927 178.137 -5.210 1
1 469 . 23 1 1 A 37 37 LEU CA C 37 60.915 58.124 2.791 1
1 470 . 23 1 1 A 37 37 LEU CB C 37 43.352 41.501 1.851 1
1 474 . 23 1 1 A 37 37 LEU N N 37 121.767 120.461 1.306 1
1 475 . 23 1 1 A 38 38 ILE H H 38 8.224 7.887 0.337 1
1 476 . 23 1 1 A 38 38 ILE HA H 38 3.234 3.798 -0.564 1
1 486 . 23 1 1 A 38 38 ILE C C 38 174.727 177.422 -2.695 1
1 487 . 23 1 1 A 38 38 ILE CA C 38 66.464 64.922 1.542 1
1 488 . 23 1 1 A 38 38 ILE CB C 38 38.799 37.855 0.944 1
1 492 . 23 1 1 A 38 38 ILE N N 38 119.417 120.250 -0.833 1
1 493 . 23 1 1 A 39 39 LYS H H 39 7.700 7.838 -0.138 1
1 494 . 23 1 1 A 39 39 LYS HA H 39 3.894 4.464 -0.570 1
1 503 . 23 1 1 A 39 39 LYS C C 39 173.727 177.789 -4.062 1
1 504 . 23 1 1 A 39 39 LYS CA C 39 61.015 55.889 5.126 1
1 505 . 23 1 1 A 39 39 LYS CB C 39 34.100 33.076 1.024 1
1 509 . 23 1 1 A 39 39 LYS N N 39 117.277 119.259 -1.982 1
1 510 . 23 1 1 A 40 40 LYS H H 40 8.170 7.864 0.306 1
1 511 . 23 1 1 A 40 40 LYS HA H 40 4.226 4.177 0.049 1
1 520 . 23 1 1 A 40 40 LYS C C 40 173.427 178.738 -5.311 1
1 521 . 23 1 1 A 40 40 LYS CA C 40 59.251 59.228 0.023 1
1 522 . 23 1 1 A 40 40 LYS CB C 40 35.528 32.940 2.588 1
1 526 . 23 1 1 A 40 40 LYS N N 40 115.146 119.433 -4.287 1
1 527 . 23 1 1 A 41 41 GLU H H 41 8.778 7.858 0.920 1
1 528 . 23 1 1 A 41 41 GLU HA H 41 4.629 4.377 0.252 1
1 533 . 23 1 1 A 41 41 GLU C C 41 175.527 176.033 -0.506 1
1 534 . 23 1 1 A 41 41 GLU CA C 41 57.177 57.138 0.039 1
1 535 . 23 1 1 A 41 41 GLU CB C 41 31.656 30.118 1.538 1
1 537 . 23 1 1 A 41 41 GLU N N 41 113.604 117.243 -3.639 1
1 538 . 23 1 1 A 42 42 LEU H H 42 7.610 7.547 0.063 1
1 539 . 23 1 1 A 42 42 LEU HA H 42 4.475 4.874 -0.399 1
1 549 . 23 1 1 A 42 42 LEU C C 42 177.227 176.539 0.688 1
1 550 . 23 1 1 A 42 42 LEU CA C 42 56.047 53.565 2.482 1
1 551 . 23 1 1 A 42 42 LEU CB C 42 45.748 45.730 0.018 1
1 555 . 23 1 1 A 42 42 LEU N N 42 118.997 121.254 -2.257 1
1 556 . 23 1 1 A 43 43 CYS H H 43 8.501 9.041 -0.540 1
1 557 . 23 1 1 A 43 43 CYS HA H 43 4.397 4.261 0.136 1
1 560 . 23 1 1 A 43 43 CYS C C 43 177.327 174.809 2.518 1
1 561 . 23 1 1 A 43 43 CYS CA C 43 60.023 61.914 -1.891 1
1 562 . 23 1 1 A 43 43 CYS CB C 43 27.915 27.688 0.227 1
1 563 . 23 1 1 A 43 43 CYS N N 43 119.622 124.480 -4.858 1
1 564 . 23 1 1 A 44 44 LEU H H 44 8.200 7.999 0.201 1
1 565 . 23 1 1 A 44 44 LEU HA H 44 3.979 4.196 -0.217 1
1 575 . 23 1 1 A 44 44 LEU C C 44 173.927 176.103 -2.176 1
1 576 . 23 1 1 A 44 44 LEU CA C 44 57.244 56.410 0.834 1
1 577 . 23 1 1 A 44 44 LEU CB C 44 43.622 41.985 1.637 1
1 581 . 23 1 1 A 44 44 LEU N N 44 121.955 121.392 0.563 1
1 582 . 23 1 1 A 45 45 GLY H H 45 8.244 8.093 0.151 1
1 583 . 23 1 1 A 45 45 GLY HA2 H 45 3.849 3.994 -0.145 1
1 584 . 23 1 1 A 45 45 GLY HA3 H 45 3.789 4.002 -0.213 1
1 585 . 23 1 1 A 45 45 GLY C C 45 178.027 174.426 3.601 1
1 586 . 23 1 1 A 45 45 GLY CA C 45 47.023 46.063 0.960 1
1 587 . 23 1 1 A 45 45 GLY N N 45 107.702 107.442 0.260 1
1 588 . 23 1 1 A 46 46 GLU H H 46 8.286 8.404 -0.118 1
1 589 . 23 1 1 A 46 46 GLU HA H 46 4.039 4.865 -0.826 1
1 594 . 23 1 1 A 46 46 GLU C C 46 175.127 177.194 -2.067 1
1 595 . 23 1 1 A 46 46 GLU CA C 46 59.176 55.729 3.447 1
1 596 . 23 1 1 A 46 46 GLU CB C 46 31.361 30.400 0.961 1
1 598 . 23 1 1 A 46 46 GLU N N 46 119.602 122.861 -3.259 1
1 599 . 23 1 1 A 47 47 MET H H 47 8.048 8.094 -0.046 1
1 600 . 23 1 1 A 47 47 MET HA H 47 4.229 4.266 -0.037 1
1 608 . 23 1 1 A 47 47 MET C C 47 175.727 176.112 -0.385 1
1 609 . 23 1 1 A 47 47 MET CA C 47 58.183 58.713 -0.530 1
1 610 . 23 1 1 A 47 47 MET CB C 47 34.087 32.260 1.827 1
1 613 . 23 1 1 A 47 47 MET N N 47 119.617 120.263 -0.646 1
1 614 . 23 1 1 A 48 48 LYS H H 48 8.221 7.854 0.367 1
1 615 . 23 1 1 A 48 48 LYS HA H 48 4.217 4.753 -0.536 1
1 624 . 23 1 1 A 48 48 LYS C C 48 174.927 175.819 -0.892 1
1 625 . 23 1 1 A 48 48 LYS CA C 48 58.304 55.016 3.288 1
1 626 . 23 1 1 A 48 48 LYS CB C 48 34.548 34.798 -0.250 1
1 630 . 23 1 1 A 48 48 LYS N N 48 120.987 118.388 2.599 1
1 631 . 23 1 1 A 49 49 GLU H H 49 8.346 8.476 -0.130 1
1 632 . 23 1 1 A 49 49 GLU HA H 49 3.922 4.581 -0.659 1
1 637 . 23 1 1 A 49 49 GLU C C 49 174.427 177.047 -2.620 1
1 638 . 23 1 1 A 49 49 GLU CA C 49 60.298 55.820 4.478 1
1 639 . 23 1 1 A 49 49 GLU CB C 49 31.065 30.166 0.899 1
1 641 . 23 1 1 A 49 49 GLU N N 49 121.867 122.908 -1.041 1
1 642 . 23 1 1 A 50 50 SER H H 50 8.348 8.878 -0.530 1
1 643 . 23 1 1 A 50 50 SER HA H 50 4.172 4.279 -0.107 1
1 647 . 23 1 1 A 50 50 SER C C 50 176.027 176.473 -0.446 1
1 648 . 23 1 1 A 50 50 SER CA C 50 62.548 61.380 1.168 1
1 649 . 23 1 1 A 50 50 SER CB C 50 64.840 62.852 1.988 1
1 650 . 23 1 1 A 50 50 SER N N 50 115.695 116.805 -1.110 1
1 651 . 23 1 1 A 51 51 SER H H 51 7.980 8.361 -0.381 1
1 652 . 23 1 1 A 51 51 SER HA H 51 4.258 4.322 -0.064 1
1 655 . 23 1 1 A 51 51 SER C C 51 174.427 176.107 -1.680 1
1 656 . 23 1 1 A 51 51 SER CA C 51 62.828 60.196 2.632 1
1 657 . 23 1 1 A 51 51 SER CB C 51 64.749 62.592 2.157 1
1 658 . 23 1 1 A 51 51 SER N N 51 117.126 115.619 1.507 1
1 659 . 23 1 1 A 52 52 ILE H H 52 7.365 8.062 -0.697 1
1 660 . 23 1 1 A 52 52 ILE HA H 52 4.038 4.468 -0.430 1
1 670 . 23 1 1 A 52 52 ILE C C 52 175.627 177.089 -1.462 1
1 671 . 23 1 1 A 52 52 ILE CA C 52 64.609 62.148 2.461 1
1 672 . 23 1 1 A 52 52 ILE CB C 52 39.272 40.383 -1.111 1
1 676 . 23 1 1 A 52 52 ILE N N 52 117.484 120.926 -3.442 1
1 677 . 23 1 1 A 53 53 ASP H H 53 7.681 8.340 -0.659 1
1 678 . 23 1 1 A 53 53 ASP HA H 53 4.214 4.481 -0.267 1
1 681 . 23 1 1 A 53 53 ASP C C 53 174.027 177.978 -3.951 1
1 682 . 23 1 1 A 53 53 ASP CA C 53 59.799 56.992 2.807 1
1 683 . 23 1 1 A 53 53 ASP CB C 53 42.927 41.611 1.316 1
1 684 . 23 1 1 A 53 53 ASP N N 53 121.969 122.508 -0.539 1
1 685 . 23 1 1 A 54 54 ASP H H 54 8.227 8.439 -0.212 1
1 686 . 23 1 1 A 54 54 ASP HA H 54 4.231 4.334 -0.103 1
1 689 . 23 1 1 A 54 54 ASP C C 54 172.927 178.749 -5.822 1
1 690 . 23 1 1 A 54 54 ASP CA C 54 59.507 57.966 1.541 1
1 691 . 23 1 1 A 54 54 ASP CB C 54 41.818 41.932 -0.114 1
1 692 . 23 1 1 A 54 54 ASP N N 54 118.083 118.844 -0.761 1
1 693 . 23 1 1 A 55 55 LEU H H 55 7.650 7.877 -0.227 1
1 694 . 23 1 1 A 55 55 LEU HA H 55 4.016 4.117 -0.101 1
1 704 . 23 1 1 A 55 55 LEU C C 55 171.927 179.387 -7.460 1
1 705 . 23 1 1 A 55 55 LEU CA C 55 59.965 57.785 2.180 1
1 706 . 23 1 1 A 55 55 LEU CB C 55 43.370 41.069 2.301 1
1 710 . 23 1 1 A 55 55 LEU N N 55 121.634 119.986 1.648 1
1 711 . 23 1 1 A 56 56 MET H H 56 8.429 8.248 0.181 1
1 712 . 23 1 1 A 56 56 MET HA H 56 4.325 4.257 0.068 1
1 720 . 23 1 1 A 56 56 MET C C 56 172.527 178.555 -6.028 1
1 721 . 23 1 1 A 56 56 MET CA C 56 59.221 58.338 0.883 1
1 722 . 23 1 1 A 56 56 MET CB C 56 34.106 31.920 2.186 1
1 725 . 23 1 1 A 56 56 MET N N 56 118.696 116.924 1.772 1
1 726 . 23 1 1 A 57 57 LYS H H 57 8.249 8.234 0.015 1
1 727 . 23 1 1 A 57 57 LYS HA H 57 3.996 4.093 -0.097 1
1 736 . 23 1 1 A 57 57 LYS C C 57 172.527 178.598 -6.071 1
1 737 . 23 1 1 A 57 57 LYS CA C 57 60.872 59.027 1.845 1
1 738 . 23 1 1 A 57 57 LYS CB C 57 33.853 31.765 2.088 1
1 742 . 23 1 1 A 57 57 LYS N N 57 119.855 121.340 -1.485 1
1 743 . 23 1 1 A 58 58 SER H H 58 7.729 8.067 -0.338 1
1 744 . 23 1 1 A 58 58 SER HA H 58 4.125 4.274 -0.149 1
1 747 . 23 1 1 A 58 58 SER C C 58 176.527 177.333 -0.806 1
1 748 . 23 1 1 A 58 58 SER CA C 58 63.029 61.223 1.806 1
1 749 . 23 1 1 A 58 58 SER CB C 58 64.686 62.945 1.741 1
1 750 . 23 1 1 A 58 58 SER N N 58 115.984 115.172 0.812 1
1 751 . 23 1 1 A 59 59 LEU H H 59 7.288 7.995 -0.707 1
1 752 . 23 1 1 A 59 59 LEU HA H 59 4.058 4.270 -0.212 1
1 762 . 23 1 1 A 59 59 LEU C C 59 175.827 176.827 -1.000 1
1 763 . 23 1 1 A 59 59 LEU CA C 59 57.364 56.496 0.868 1
1 764 . 23 1 1 A 59 59 LEU CB C 59 42.712 41.551 1.161 1
1 768 . 23 1 1 A 59 59 LEU N N 59 120.622 120.586 0.036 1
1 769 . 23 1 1 A 60 60 ASP H H 60 7.431 8.072 -0.641 1
1 770 . 23 1 1 A 60 60 ASP HA H 60 4.386 4.790 -0.404 1
1 773 . 23 1 1 A 60 60 ASP C C 60 175.927 177.031 -1.104 1
1 774 . 23 1 1 A 60 60 ASP CA C 60 57.012 52.898 4.114 1
1 775 . 23 1 1 A 60 60 ASP CB C 60 42.351 41.093 1.258 1
1 776 . 23 1 1 A 60 60 ASP N N 60 116.755 119.456 -2.701 1
1 777 . 23 1 1 A 61 61 LYS H H 61 7.243 7.689 -0.446 1
1 778 . 23 1 1 A 61 61 LYS HA H 61 4.223 4.377 -0.154 1
1 787 . 23 1 1 A 61 61 LYS C C 61 176.527 177.040 -0.513 1
1 788 . 23 1 1 A 61 61 LYS CA C 61 57.287 57.287 0.000 1
1 789 . 23 1 1 A 61 61 LYS CB C 61 34.683 33.809 0.874 1
1 793 . 23 1 1 A 61 61 LYS N N 61 119.913 119.864 0.049 1
1 794 . 23 1 1 A 62 62 ASN H H 62 8.725 7.927 0.798 1
1 795 . 23 1 1 A 62 62 ASN HA H 62 4.462 5.079 -0.617 1
1 800 . 23 1 1 A 62 62 ASN C C 62 175.627 174.790 0.837 1
1 801 . 23 1 1 A 62 62 ASN CA C 62 55.452 51.995 3.457 1
1 802 . 23 1 1 A 62 62 ASN CB C 62 39.336 38.936 0.400 1
1 803 . 23 1 1 A 62 62 ASN N N 62 120.247 116.492 3.755 1
1 805 . 23 1 1 A 63 63 SER H H 63 8.061 8.194 -0.133 1
1 806 . 23 1 1 A 63 63 SER HA H 63 3.957 4.397 -0.440 1
1 809 . 23 1 1 A 63 63 SER C C 63 174.827 174.518 0.309 1
1 810 . 23 1 1 A 63 63 SER CA C 63 62.954 60.508 2.446 1
1 811 . 23 1 1 A 63 63 SER CB C 63 65.586 63.467 2.119 1
1 812 . 23 1 1 A 63 63 SER N N 63 113.249 114.582 -1.333 1
1 813 . 23 1 1 A 64 64 ASP H H 64 8.408 8.026 0.382 1
1 814 . 23 1 1 A 64 64 ASP HA H 64 4.573 4.785 -0.212 1
1 817 . 23 1 1 A 64 64 ASP C C 64 176.027 175.038 0.989 1
1 818 . 23 1 1 A 64 64 ASP CA C 64 55.789 53.871 1.918 1
1 819 . 23 1 1 A 64 64 ASP CB C 64 42.365 41.902 0.463 1
1 820 . 23 1 1 A 64 64 ASP N N 64 117.587 120.380 -2.793 1
1 821 . 23 1 1 A 65 65 GLN H H 65 7.779 7.780 -0.001 1
1 822 . 23 1 1 A 65 65 GLN HA H 65 4.026 4.768 -0.742 1
1 829 . 23 1 1 A 65 65 GLN C C 65 176.827 175.322 1.505 1
1 830 . 23 1 1 A 65 65 GLN CA C 65 58.241 54.420 3.821 1
1 831 . 23 1 1 A 65 65 GLN CB C 65 31.309 31.641 -0.332 1
1 833 . 23 1 1 A 65 65 GLN N N 65 121.059 117.270 3.789 1
1 835 . 23 1 1 A 66 66 GLU H H 66 8.365 8.572 -0.207 1
1 836 . 23 1 1 A 66 66 GLU HA H 66 4.320 4.819 -0.499 1
1 841 . 23 1 1 A 66 66 GLU C C 66 176.227 176.648 -0.421 1
1 842 . 23 1 1 A 66 66 GLU CA C 66 58.238 56.882 1.356 1
1 843 . 23 1 1 A 66 66 GLU CB C 66 32.567 30.775 1.792 1
1 845 . 23 1 1 A 66 66 GLU N N 66 123.061 120.669 2.392 1
1 846 . 23 1 1 A 67 67 ILE H H 67 9.350 8.879 0.471 1
1 847 . 23 1 1 A 67 67 ILE HA H 67 4.543 4.999 -0.456 1
1 857 . 23 1 1 A 67 67 ILE C C 67 178.127 174.874 3.253 1
1 858 . 23 1 1 A 67 67 ILE CA C 67 61.173 58.962 2.211 1
1 859 . 23 1 1 A 67 67 ILE CB C 67 41.460 42.450 -0.990 1
1 863 . 23 1 1 A 67 67 ILE N N 67 121.809 117.856 3.953 1
1 864 . 23 1 1 A 68 68 ASP H H 68 8.140 8.508 -0.368 1
1 865 . 23 1 1 A 68 68 ASP HA H 68 5.408 5.301 0.107 1
1 868 . 23 1 1 A 68 68 ASP C C 68 176.127 176.493 -0.366 1
1 869 . 23 1 1 A 68 68 ASP CA C 68 53.471 52.218 1.253 1
1 870 . 23 1 1 A 68 68 ASP CB C 68 43.898 42.551 1.347 1
1 871 . 23 1 1 A 68 68 ASP N N 68 122.626 122.188 0.438 1
1 872 . 23 1 1 A 69 69 PHE H H 69 9.486 8.833 0.653 1
1 873 . 23 1 1 A 69 69 PHE HA H 69 3.397 3.750 -0.353 1
1 880 . 23 1 1 A 69 69 PHE C C 69 174.727 177.600 -2.873 1
1 881 . 23 1 1 A 69 69 PHE CA C 69 63.764 61.263 2.501 1
1 882 . 23 1 1 A 69 69 PHE CB C 69 42.009 38.991 3.018 1
1 883 . 23 1 1 A 69 69 PHE N N 69 118.584 120.461 -1.877 1
1 884 . 23 1 1 A 70 70 LYS H H 70 7.510 8.527 -1.017 1
1 885 . 23 1 1 A 70 70 LYS HA H 70 3.633 3.830 -0.197 1
1 894 . 23 1 1 A 70 70 LYS C C 70 173.627 179.280 -5.653 1
1 895 . 23 1 1 A 70 70 LYS CA C 70 61.940 59.773 2.167 1
1 896 . 23 1 1 A 70 70 LYS CB C 70 33.189 31.823 1.366 1
1 900 . 23 1 1 A 70 70 LYS N N 70 117.327 119.291 -1.964 1
1 901 . 23 1 1 A 71 71 GLU H H 71 8.151 7.985 0.166 1
1 902 . 23 1 1 A 71 71 GLU HA H 71 3.930 4.142 -0.212 1
1 907 . 23 1 1 A 71 71 GLU C C 71 173.127 178.713 -5.586 1
1 908 . 23 1 1 A 71 71 GLU CA C 71 61.000 59.007 1.993 1
1 909 . 23 1 1 A 71 71 GLU CB C 71 31.639 29.673 1.966 1
1 911 . 23 1 1 A 71 71 GLU N N 71 120.925 117.633 3.292 1
1 912 . 23 1 1 A 72 72 TYR H H 72 8.454 8.046 0.408 1
1 913 . 23 1 1 A 72 72 TYR HA H 72 4.047 4.375 -0.328 1
1 920 . 23 1 1 A 72 72 TYR C C 72 177.227 177.799 -0.572 1
1 921 . 23 1 1 A 72 72 TYR CA C 72 62.068 61.138 0.930 1
1 922 . 23 1 1 A 72 72 TYR CB C 72 39.522 38.645 0.877 1
1 923 . 23 1 1 A 72 72 TYR N N 72 123.271 122.529 0.742 1
1 924 . 23 1 1 A 73 73 SER H H 73 7.990 8.313 -0.323 1
1 925 . 23 1 1 A 73 73 SER HA H 73 3.245 3.977 -0.732 1
1 928 . 23 1 1 A 73 73 SER C C 73 174.327 176.466 -2.139 1
1 929 . 23 1 1 A 73 73 SER CA C 73 62.841 61.312 1.529 1
1 930 . 23 1 1 A 73 73 SER CB C 73 64.317 62.306 2.011 1
1 931 . 23 1 1 A 73 73 SER N N 73 115.432 114.316 1.116 1
1 932 . 23 1 1 A 74 74 VAL H H 74 8.112 7.940 0.172 1
1 933 . 23 1 1 A 74 74 VAL HA H 74 3.375 3.768 -0.393 1
1 941 . 23 1 1 A 74 74 VAL C C 74 174.427 178.255 -3.828 1
1 942 . 23 1 1 A 74 74 VAL CA C 74 68.677 65.756 2.921 1
1 943 . 23 1 1 A 74 74 VAL CB C 74 33.164 31.446 1.718 1
1 946 . 23 1 1 A 74 74 VAL N N 74 123.807 119.124 4.683 1
1 947 . 23 1 1 A 75 75 PHE H H 75 8.149 8.266 -0.117 1
1 948 . 23 1 1 A 75 75 PHE HA H 75 3.878 4.175 -0.297 1
1 955 . 23 1 1 A 75 75 PHE C C 75 174.627 176.825 -2.198 1
1 956 . 23 1 1 A 75 75 PHE CA C 75 64.444 61.151 3.293 1
1 957 . 23 1 1 A 75 75 PHE CB C 75 40.823 39.393 1.430 1
1 958 . 23 1 1 A 75 75 PHE N N 75 122.351 123.855 -1.504 1
1 959 . 23 1 1 A 76 76 LEU H H 76 8.141 8.622 -0.481 1
1 960 . 23 1 1 A 76 76 LEU HA H 76 3.648 3.987 -0.339 1
1 970 . 23 1 1 A 76 76 LEU C C 76 173.327 179.481 -6.154 1
1 971 . 23 1 1 A 76 76 LEU CA C 76 59.810 57.926 1.884 1
1 972 . 23 1 1 A 76 76 LEU CB C 76 42.994 41.350 1.644 1
1 976 . 23 1 1 A 76 76 LEU N N 76 116.801 119.487 -2.686 1
1 977 . 23 1 1 A 77 77 THR H H 77 8.005 8.340 -0.335 1
1 978 . 23 1 1 A 77 77 THR HA H 77 3.561 3.822 -0.261 1
1 984 . 23 1 1 A 77 77 THR C C 77 176.427 175.396 1.031 1
1 985 . 23 1 1 A 77 77 THR CA C 77 69.876 66.428 3.448 1
1 986 . 23 1 1 A 77 77 THR CB C 77 71.163 68.343 2.820 1
1 988 . 23 1 1 A 77 77 THR N N 77 116.415 116.160 0.255 1
1 989 . 23 1 1 A 78 78 MET H H 78 8.059 8.530 -0.471 1
1 990 . 23 1 1 A 78 78 MET HA H 78 3.771 3.961 -0.190 1
1 995 . 23 1 1 A 78 78 MET C C 78 172.927 178.437 -5.510 1
1 996 . 23 1 1 A 78 78 MET CA C 78 60.751 58.298 2.453 1
1 997 . 23 1 1 A 78 78 MET CB C 78 33.255 31.927 1.328 1
1 999 . 23 1 1 A 78 78 MET N N 78 120.960 119.763 1.197 1
1 1000 . 23 1 1 A 79 79 LEU H H 79 8.007 8.323 -0.316 1
1 1001 . 23 1 1 A 79 79 LEU HA H 79 3.646 4.028 -0.382 1
1 1011 . 23 1 1 A 79 79 LEU C C 79 174.527 178.210 -3.683 1
1 1012 . 23 1 1 A 79 79 LEU CA C 79 59.756 57.897 1.859 1
1 1013 . 23 1 1 A 79 79 LEU CB C 79 42.961 41.508 1.453 1
1 1017 . 23 1 1 A 79 79 LEU N N 79 120.772 120.517 0.255 1
1 1018 . 23 1 1 A 80 80 CYS H H 80 8.268 8.398 -0.130 1
1 1019 . 23 1 1 A 80 80 CYS HA H 80 3.344 3.589 -0.245 1
1 1022 . 23 1 1 A 80 80 CYS C C 80 176.127 177.226 -1.099 1
1 1023 . 23 1 1 A 80 80 CYS CA C 80 64.083 62.314 1.769 1
1 1024 . 23 1 1 A 80 80 CYS CB C 80 28.199 27.266 0.933 1
1 1025 . 23 1 1 A 80 80 CYS N N 80 118.257 118.107 0.150 1
1 1026 . 23 1 1 A 81 81 MET H H 81 7.600 8.127 -0.527 1
1 1027 . 23 1 1 A 81 81 MET HA H 81 3.242 4.204 -0.962 1
1 1035 . 23 1 1 A 81 81 MET C C 81 176.227 177.396 -1.169 1
1 1036 . 23 1 1 A 81 81 MET CA C 81 60.091 57.358 2.733 1
1 1037 . 23 1 1 A 81 81 MET CB C 81 34.090 32.571 1.519 1
1 1040 . 23 1 1 A 81 81 MET N N 81 114.515 119.973 -5.458 1
1 1041 . 23 1 1 A 82 82 ALA H H 82 7.299 7.470 -0.171 1
1 1042 . 23 1 1 A 82 82 ALA HA H 82 4.121 4.203 -0.082 1
1 1046 . 23 1 1 A 82 82 ALA C C 82 173.827 177.341 -3.514 1
1 1047 . 23 1 1 A 82 82 ALA CA C 82 54.930 53.405 1.525 1
1 1048 . 23 1 1 A 82 82 ALA CB C 82 20.641 19.084 1.557 1
1 1049 . 23 1 1 A 82 82 ALA N N 82 118.977 120.089 -1.112 1
1 1050 . 23 1 1 A 83 83 TYR H H 83 7.623 7.139 0.484 1
1 1051 . 23 1 1 A 83 83 TYR HA H 83 4.771 4.893 -0.122 1
1 1058 . 23 1 1 A 83 83 TYR CA C 83 59.333 57.211 2.122 1
1 1059 . 23 1 1 A 83 83 TYR CB C 83 41.599 39.720 1.879 1
1 1060 . 23 1 1 A 83 83 TYR N N 83 113.311 113.771 -0.460 1
1 1061 . 23 1 1 A 84 84 ASN HA H 84 4.534 4.511 0.023 1
1 1064 . 23 1 1 A 84 84 ASN CA C 84 56.126 53.320 2.806 1
1 1065 . 23 1 1 A 84 84 ASN CB C 84 41.990 37.115 4.875 1
1 1066 . 23 1 1 A 85 85 ASP H H 85 8.681 7.986 0.695 1
1 1067 . 23 1 1 A 85 85 ASP HA H 85 4.086 4.448 -0.362 1
1 1070 . 23 1 1 A 85 85 ASP CA C 85 58.457 55.943 2.514 1
1 1071 . 23 1 1 A 85 85 ASP CB C 85 42.260 40.198 2.062 1
1 1072 . 23 1 1 A 85 85 ASP N N 85 126.079 120.631 5.448 1
1 1073 . 23 1 1 A 86 86 PHE H H 86 8.672 7.519 1.153 1
1 1074 . 23 1 1 A 86 86 PHE HA H 86 3.744 4.228 -0.484 1
1 1081 . 23 1 1 A 86 86 PHE C C 86 176.827 176.526 0.301 1
1 1082 . 23 1 1 A 86 86 PHE CA C 86 62.903 60.126 2.777 1
1 1083 . 23 1 1 A 86 86 PHE CB C 86 41.596 38.219 3.377 1
1 1084 . 23 1 1 A 86 86 PHE N N 86 121.950 116.872 5.078 1
1 1085 . 23 1 1 A 87 87 PHE H H 87 7.225 7.719 -0.494 1
1 1086 . 23 1 1 A 87 87 PHE HA H 87 3.836 4.926 -1.090 1
1 1093 . 23 1 1 A 87 87 PHE C C 87 176.927 175.262 1.665 1
1 1094 . 23 1 1 A 87 87 PHE CA C 87 60.422 57.416 3.006 1
1 1095 . 23 1 1 A 87 87 PHE CB C 87 41.081 39.705 1.376 1
1 1096 . 23 1 1 A 87 87 PHE N N 87 110.928 115.824 -4.896 1
1 1097 . 23 1 1 A 88 88 LEU H H 88 7.130 7.459 -0.329 1
1 1098 . 23 1 1 A 88 88 LEU HA H 88 4.169 4.756 -0.587 1
1 1108 . 23 1 1 A 88 88 LEU C C 88 175.027 176.023 -0.996 1
1 1109 . 23 1 1 A 88 88 LEU CA C 88 56.962 52.774 4.188 1
1 1110 . 23 1 1 A 88 88 LEU CB C 88 44.199 42.502 1.697 1
1 1114 . 23 1 1 A 88 88 LEU N N 88 119.732 116.764 2.968 1
1 1115 . 23 1 1 A 89 89 GLU H H 89 8.097 8.913 -0.816 1
1 1116 . 23 1 1 A 89 89 GLU HA H 89 4.087 4.747 -0.660 1
1 1121 . 23 1 1 A 89 89 GLU C C 89 176.427 176.019 0.408 1
1 1122 . 23 1 1 A 89 89 GLU CA C 89 58.216 56.625 1.591 1
1 1123 . 23 1 1 A 89 89 GLU CB C 89 32.309 32.416 -0.107 1
1 1125 . 23 1 1 A 89 89 GLU N N 89 121.626 117.062 4.564 1
1 1126 . 23 1 1 A 90 90 ASP H H 90 8.243 7.795 0.448 1
1 1127 . 23 1 1 A 90 90 ASP HA H 90 4.425 5.041 -0.616 1
1 1130 . 23 1 1 A 90 90 ASP C C 90 176.527 174.096 2.431 1
1 1131 . 23 1 1 A 90 90 ASP CA C 90 55.815 52.957 2.858 1
1 1132 . 23 1 1 A 90 90 ASP CB C 90 42.874 44.222 -1.348 1
1 1133 . 23 1 1 A 90 90 ASP N N 90 121.280 116.073 5.207 1
1 1134 . 23 1 1 A 91 91 ASN H H 91 8.267 8.674 -0.407 1
1 1135 . 23 1 1 A 91 91 ASN HA H 91 4.563 4.788 -0.225 1
1 1140 . 23 1 1 A 91 91 ASN C C 91 178.127 175.741 2.386 1
1 1141 . 23 1 1 A 91 91 ASN CA C 91 54.928 52.579 2.349 1
1 1142 . 23 1 1 A 91 91 ASN CB C 91 40.529 38.246 2.283 1
1 1143 . 23 1 1 A 91 91 ASN N N 91 119.209 121.935 -2.726 1
1 14 . 24 1 1 A 2 2 GLU H H 2 8.722 8.687 0.035 1
1 15 . 24 1 1 A 2 2 GLU HA H 2 4.557 4.490 0.067 1
1 20 . 24 1 1 A 2 2 GLU C C 2 175.827 176.404 -0.577 1
1 21 . 24 1 1 A 2 2 GLU CA C 2 58.063 57.634 0.429 1
1 22 . 24 1 1 A 2 2 GLU CB C 2 33.147 30.963 2.184 1
1 24 . 24 1 1 A 2 2 GLU N N 2 124.627 124.426 0.201 1
1 25 . 24 1 1 A 3 3 THR H H 3 8.670 7.624 1.046 1
1 26 . 24 1 1 A 3 3 THR HA H 3 4.616 4.543 0.073 1
1 31 . 24 1 1 A 3 3 THR CA C 3 61.734 60.331 1.403 1
1 32 . 24 1 1 A 3 3 THR CB C 3 70.590 68.963 1.627 1
1 34 . 24 1 1 A 3 3 THR N N 3 116.274 111.754 4.520 1
1 35 . 24 1 1 A 4 4 PRO HA H 4 4.161 4.419 -0.258 1
1 42 . 24 1 1 A 4 4 PRO C C 4 172.227 178.334 -6.107 1
1 43 . 24 1 1 A 4 4 PRO CA C 4 68.211 65.606 2.605 1
1 44 . 24 1 1 A 4 4 PRO CB C 4 33.796 32.053 1.743 1
1 47 . 24 1 1 A 5 5 LEU H H 5 9.207 7.706 1.501 1
1 48 . 24 1 1 A 5 5 LEU HA H 5 4.038 4.062 -0.024 1
1 58 . 24 1 1 A 5 5 LEU C C 5 174.327 178.338 -4.011 1
1 59 . 24 1 1 A 5 5 LEU CA C 5 59.483 57.345 2.138 1
1 60 . 24 1 1 A 5 5 LEU CB C 5 43.877 41.252 2.625 1
1 64 . 24 1 1 A 5 5 LEU N N 5 119.157 117.593 1.564 1
1 65 . 24 1 1 A 6 6 GLU H H 6 7.661 7.886 -0.225 1
1 66 . 24 1 1 A 6 6 GLU HA H 6 3.755 3.980 -0.225 1
1 71 . 24 1 1 A 6 6 GLU C C 6 172.727 178.898 -6.171 1
1 72 . 24 1 1 A 6 6 GLU CA C 6 61.953 59.628 2.325 1
1 73 . 24 1 1 A 6 6 GLU CB C 6 31.354 29.279 2.075 1
1 75 . 24 1 1 A 6 6 GLU N N 6 119.837 119.179 0.658 1
1 76 . 24 1 1 A 7 7 LYS H H 7 8.430 7.637 0.793 1
1 77 . 24 1 1 A 7 7 LYS HA H 7 3.921 4.106 -0.185 1
1 86 . 24 1 1 A 7 7 LYS C C 7 172.927 179.044 -6.117 1
1 87 . 24 1 1 A 7 7 LYS CA C 7 61.312 58.815 2.497 1
1 88 . 24 1 1 A 7 7 LYS CB C 7 33.861 32.206 1.655 1
1 92 . 24 1 1 A 7 7 LYS N N 7 119.023 119.112 -0.089 1
1 93 . 24 1 1 A 8 8 ALA H H 8 8.079 8.127 -0.048 1
1 94 . 24 1 1 A 8 8 ALA HA H 8 4.085 4.069 0.016 1
1 98 . 24 1 1 A 8 8 ALA C C 8 173.027 180.165 -7.138 1
1 99 . 24 1 1 A 8 8 ALA CA C 8 56.967 55.041 1.926 1
1 100 . 24 1 1 A 8 8 ALA CB C 8 20.140 18.463 1.677 1
1 101 . 24 1 1 A 8 8 ALA N N 8 123.824 122.288 1.536 1
1 102 . 24 1 1 A 9 9 LEU H H 9 8.032 7.724 0.308 1
1 103 . 24 1 1 A 9 9 LEU HA H 9 4.061 4.023 0.038 1
1 113 . 24 1 1 A 9 9 LEU C C 9 172.527 179.183 -6.656 1
1 114 . 24 1 1 A 9 9 LEU CA C 9 60.071 57.865 2.206 1
1 115 . 24 1 1 A 9 9 LEU CB C 9 42.714 42.328 0.386 1
1 119 . 24 1 1 A 9 9 LEU N N 9 118.643 117.816 0.827 1
1 120 . 24 1 1 A 10 10 THR H H 10 8.686 8.372 0.314 1
1 121 . 24 1 1 A 10 10 THR HA H 10 3.798 3.971 -0.173 1
1 126 . 24 1 1 A 10 10 THR C C 10 175.127 176.744 -1.617 1
1 127 . 24 1 1 A 10 10 THR CA C 10 69.282 66.445 2.837 1
1 128 . 24 1 1 A 10 10 THR CB C 10 70.132 68.471 1.661 1
1 130 . 24 1 1 A 10 10 THR N N 10 117.087 114.400 2.687 1
1 131 . 24 1 1 A 11 11 THR H H 11 8.628 8.147 0.481 1
1 132 . 24 1 1 A 11 11 THR HA H 11 3.961 3.929 0.032 1
1 137 . 24 1 1 A 11 11 THR C C 11 174.427 176.911 -2.484 1
1 138 . 24 1 1 A 11 11 THR CA C 11 68.408 66.984 1.424 1
1 139 . 24 1 1 A 11 11 THR CB C 11 69.107 68.721 0.386 1
1 141 . 24 1 1 A 11 11 THR N N 11 120.770 116.752 4.018 1
1 142 . 24 1 1 A 12 12 MET H H 12 8.390 8.469 -0.079 1
1 143 . 24 1 1 A 12 12 MET HA H 12 3.956 4.323 -0.367 1
1 151 . 24 1 1 A 12 12 MET C C 12 175.127 178.494 -3.367 1
1 152 . 24 1 1 A 12 12 MET CA C 12 62.750 58.221 4.529 1
1 153 . 24 1 1 A 12 12 MET CB C 12 34.952 32.392 2.560 1
1 156 . 24 1 1 A 12 12 MET N N 12 124.388 118.666 5.722 1
1 157 . 24 1 1 A 13 13 VAL H H 13 8.104 8.592 -0.488 1
1 158 . 24 1 1 A 13 13 VAL HA H 13 3.576 4.253 -0.677 1
1 166 . 24 1 1 A 13 13 VAL C C 13 175.327 178.330 -3.003 1
1 167 . 24 1 1 A 13 13 VAL CA C 13 68.958 65.724 3.234 1
1 168 . 24 1 1 A 13 13 VAL CB C 13 33.703 31.856 1.847 1
1 171 . 24 1 1 A 13 13 VAL N N 13 121.753 116.999 4.754 1
1 172 . 24 1 1 A 14 14 THR H H 14 9.186 8.202 0.984 1
1 173 . 24 1 1 A 14 14 THR HA H 14 3.774 4.119 -0.345 1
1 178 . 24 1 1 A 14 14 THR C C 14 173.927 177.304 -3.377 1
1 179 . 24 1 1 A 14 14 THR CA C 14 67.955 66.021 1.934 1
1 180 . 24 1 1 A 14 14 THR CB C 14 70.504 69.010 1.494 1
1 182 . 24 1 1 A 14 14 THR N N 14 114.911 117.507 -2.596 1
1 183 . 24 1 1 A 15 15 THR H H 15 8.453 8.300 0.153 1
1 184 . 24 1 1 A 15 15 THR HA H 15 3.859 4.036 -0.177 1
1 190 . 24 1 1 A 15 15 THR C C 15 178.127 176.332 1.795 1
1 191 . 24 1 1 A 15 15 THR CA C 15 69.609 66.970 2.639 1
1 192 . 24 1 1 A 15 15 THR CB C 15 70.511 68.613 1.898 1
1 194 . 24 1 1 A 15 15 THR N N 15 118.791 117.618 1.173 1
1 195 . 24 1 1 A 16 16 PHE H H 16 7.207 8.650 -1.443 1
1 196 . 24 1 1 A 16 16 PHE HA H 16 3.572 4.083 -0.511 1
1 203 . 24 1 1 A 16 16 PHE C C 16 178.527 177.567 0.960 1
1 204 . 24 1 1 A 16 16 PHE CA C 16 64.090 61.350 2.740 1
1 205 . 24 1 1 A 16 16 PHE CB C 16 41.091 38.807 2.284 1
1 206 . 24 1 1 A 16 16 PHE N N 16 121.331 121.458 -0.127 1
1 207 . 24 1 1 A 17 17 HIS H H 17 8.393 8.380 0.013 1
1 208 . 24 1 1 A 17 17 HIS HA H 17 5.329 4.283 1.046 1
1 211 . 24 1 1 A 17 17 HIS C C 17 174.627 177.049 -2.422 1
1 212 . 24 1 1 A 17 17 HIS CA C 17 56.667 60.361 -3.694 1
1 213 . 24 1 1 A 17 17 HIS CB C 17 32.397 29.765 2.632 1
1 214 . 24 1 1 A 17 17 HIS N N 17 117.858 119.025 -1.167 1
1 215 . 24 1 1 A 18 18 LYS H H 18 7.767 8.333 -0.566 1
1 216 . 24 1 1 A 18 18 LYS HA H 18 3.553 4.037 -0.484 1
1 225 . 24 1 1 A 18 18 LYS C C 18 175.527 177.087 -1.560 1
1 226 . 24 1 1 A 18 18 LYS CA C 18 61.301 59.090 2.211 1
1 227 . 24 1 1 A 18 18 LYS CB C 18 33.523 32.539 0.984 1
1 231 . 24 1 1 A 18 18 LYS N N 18 120.691 118.315 2.376 1
1 232 . 24 1 1 A 19 19 TYR H H 19 7.079 7.829 -0.750 1
1 233 . 24 1 1 A 19 19 TYR HA H 19 3.993 4.631 -0.638 1
1 240 . 24 1 1 A 19 19 TYR C C 19 174.227 176.222 -1.995 1
1 241 . 24 1 1 A 19 19 TYR CA C 19 61.287 58.328 2.959 1
1 242 . 24 1 1 A 19 19 TYR CB C 19 42.066 40.144 1.922 1
1 243 . 24 1 1 A 19 19 TYR N N 19 114.592 117.294 -2.702 1
1 244 . 24 1 1 A 20 20 SER H H 20 9.708 7.731 1.977 1
1 245 . 24 1 1 A 20 20 SER HA H 20 4.117 4.197 -0.080 1
1 248 . 24 1 1 A 20 20 SER C C 20 175.227 176.505 -1.278 1
1 249 . 24 1 1 A 20 20 SER CA C 20 60.135 60.727 -0.592 1
1 250 . 24 1 1 A 20 20 SER CB C 20 63.159 63.246 -0.087 1
1 251 . 24 1 1 A 20 20 SER N N 20 121.764 115.881 5.883 1
1 252 . 24 1 1 A 21 21 GLY H H 21 8.146 8.137 0.009 1
1 253 . 24 1 1 A 21 21 GLY HA2 H 21 3.956 3.869 0.087 1
1 254 . 24 1 1 A 21 21 GLY HA3 H 21 3.571 4.172 -0.601 1
1 255 . 24 1 1 A 21 21 GLY C C 21 177.927 175.337 2.590 1
1 256 . 24 1 1 A 21 21 GLY CA C 21 46.646 45.491 1.155 1
1 257 . 24 1 1 A 21 21 GLY N N 21 106.982 108.051 -1.069 1
1 258 . 24 1 1 A 22 22 ARG H H 22 7.007 8.333 -1.326 1
1 259 . 24 1 1 A 22 22 ARG HA H 22 3.815 4.144 -0.329 1
1 266 . 24 1 1 A 22 22 ARG C C 22 175.927 176.052 -0.125 1
1 267 . 24 1 1 A 22 22 ARG CA C 22 60.766 57.902 2.864 1
1 268 . 24 1 1 A 22 22 ARG CB C 22 32.302 29.127 3.175 1
1 271 . 24 1 1 A 22 22 ARG N N 22 118.055 118.238 -0.183 1
1 272 . 24 1 1 A 23 23 GLU H H 23 7.551 7.999 -0.448 1
1 273 . 24 1 1 A 23 23 GLU HA H 23 4.436 4.459 -0.023 1
1 278 . 24 1 1 A 23 23 GLU C C 23 177.727 175.855 1.872 1
1 279 . 24 1 1 A 23 23 GLU CA C 23 56.853 56.957 -0.104 1
1 280 . 24 1 1 A 23 23 GLU CB C 23 33.988 32.730 1.258 1
1 282 . 24 1 1 A 23 23 GLU N N 23 114.631 118.290 -3.659 1
1 283 . 24 1 1 A 24 24 GLY H H 24 8.376 7.713 0.663 1
1 284 . 24 1 1 A 24 24 GLY HA2 H 24 3.771 4.011 -0.240 1
1 285 . 24 1 1 A 24 24 GLY HA3 H 24 3.567 4.261 -0.694 1
1 286 . 24 1 1 A 24 24 GLY C C 24 177.127 172.761 4.366 1
1 287 . 24 1 1 A 24 24 GLY CA C 24 47.718 44.381 3.337 1
1 288 . 24 1 1 A 24 24 GLY N N 24 107.626 108.609 -0.983 1
1 289 . 24 1 1 A 25 25 SER H H 25 8.443 8.209 0.234 1
1 290 . 24 1 1 A 25 25 SER HA H 25 4.314 4.531 -0.217 1
1 293 . 24 1 1 A 25 25 SER C C 25 175.527 175.766 -0.239 1
1 294 . 24 1 1 A 25 25 SER CA C 25 59.146 58.062 1.084 1
1 295 . 24 1 1 A 25 25 SER CB C 25 65.573 63.783 1.790 1
1 296 . 24 1 1 A 25 25 SER N N 25 119.000 114.851 4.149 1
1 297 . 24 1 1 A 26 26 LYS H H 26 8.821 9.072 -0.251 1
1 298 . 24 1 1 A 26 26 LYS HA H 26 4.307 4.050 0.257 1
1 307 . 24 1 1 A 26 26 LYS C C 26 176.027 176.867 -0.840 1
1 308 . 24 1 1 A 26 26 LYS CA C 26 59.180 57.900 1.280 1
1 309 . 24 1 1 A 26 26 LYS CB C 26 33.211 32.333 0.878 1
1 313 . 24 1 1 A 26 26 LYS N N 26 126.125 127.132 -1.007 1
1 314 . 24 1 1 A 27 27 LEU H H 27 8.237 7.680 0.557 1
1 315 . 24 1 1 A 27 27 LEU HA H 27 4.534 4.659 -0.125 1
1 325 . 24 1 1 A 27 27 LEU C C 27 175.627 176.907 -1.280 1
1 326 . 24 1 1 A 27 27 LEU CA C 27 56.384 55.825 0.559 1
1 327 . 24 1 1 A 27 27 LEU CB C 27 44.218 43.964 0.254 1
1 331 . 24 1 1 A 27 27 LEU N N 27 117.484 117.249 0.235 1
1 332 . 24 1 1 A 28 28 THR H H 28 7.386 8.141 -0.755 1
1 333 . 24 1 1 A 28 28 THR HA H 28 5.517 5.475 0.042 1
1 338 . 24 1 1 A 28 28 THR C C 28 180.227 173.073 7.154 1
1 339 . 24 1 1 A 28 28 THR CA C 28 61.014 60.202 0.812 1
1 340 . 24 1 1 A 28 28 THR CB C 28 75.348 71.885 3.463 1
1 342 . 24 1 1 A 28 28 THR N N 28 106.230 108.395 -2.165 1
1 343 . 24 1 1 A 29 29 LEU H H 29 8.721 8.485 0.236 1
1 344 . 24 1 1 A 29 29 LEU HA H 29 4.713 4.841 -0.128 1
1 354 . 24 1 1 A 29 29 LEU C C 29 176.927 175.585 1.342 1
1 355 . 24 1 1 A 29 29 LEU CA C 29 55.163 53.635 1.528 1
1 356 . 24 1 1 A 29 29 LEU CB C 29 46.059 44.925 1.134 1
1 360 . 24 1 1 A 29 29 LEU N N 29 116.728 120.762 -4.034 1
1 361 . 24 1 1 A 30 30 SER H H 30 8.866 8.738 0.128 1
1 362 . 24 1 1 A 30 30 SER HA H 30 4.942 4.764 0.178 1
1 365 . 24 1 1 A 30 30 SER C C 30 176.327 175.736 0.591 1
1 366 . 24 1 1 A 30 30 SER CA C 30 59.032 57.880 1.152 1
1 367 . 24 1 1 A 30 30 SER CB C 30 67.150 64.213 2.937 1
1 368 . 24 1 1 A 30 30 SER N N 30 117.110 115.464 1.646 1
1 369 . 24 1 1 A 31 31 ARG H H 31 8.393 8.708 -0.315 1
1 370 . 24 1 1 A 31 31 ARG HA H 31 3.695 3.838 -0.143 1
1 377 . 24 1 1 A 31 31 ARG C C 31 174.127 178.553 -4.426 1
1 378 . 24 1 1 A 31 31 ARG CA C 31 62.776 59.852 2.924 1
1 379 . 24 1 1 A 31 31 ARG CB C 31 31.601 29.887 1.714 1
1 382 . 24 1 1 A 31 31 ARG N N 31 121.109 122.680 -1.571 1
1 383 . 24 1 1 A 32 32 LYS H H 32 8.264 8.247 0.017 1
1 384 . 24 1 1 A 32 32 LYS HA H 32 3.912 3.930 -0.018 1
1 393 . 24 1 1 A 32 32 LYS C C 32 172.827 178.856 -6.029 1
1 394 . 24 1 1 A 32 32 LYS CA C 32 61.591 59.796 1.795 1
1 395 . 24 1 1 A 32 32 LYS CB C 32 34.116 32.319 1.797 1
1 399 . 24 1 1 A 32 32 LYS N N 32 118.536 120.046 -1.510 1
1 400 . 24 1 1 A 33 33 GLU H H 33 7.790 7.975 -0.185 1
1 401 . 24 1 1 A 33 33 GLU HA H 33 4.049 4.090 -0.041 1
1 406 . 24 1 1 A 33 33 GLU C C 33 174.327 179.279 -4.952 1
1 407 . 24 1 1 A 33 33 GLU CA C 33 60.634 59.045 1.589 1
1 408 . 24 1 1 A 33 33 GLU CB C 33 31.617 29.765 1.852 1
1 410 . 24 1 1 A 33 33 GLU N N 33 121.557 118.825 2.732 1
1 411 . 24 1 1 A 34 34 LEU H H 34 8.388 7.610 0.778 1
1 412 . 24 1 1 A 34 34 LEU HA H 34 3.844 3.776 0.068 1
1 422 . 24 1 1 A 34 34 LEU C C 34 174.927 178.157 -3.230 1
1 423 . 24 1 1 A 34 34 LEU CA C 34 59.173 57.449 1.724 1
1 424 . 24 1 1 A 34 34 LEU CB C 34 42.053 41.371 0.682 1
1 428 . 24 1 1 A 34 34 LEU N N 34 120.999 121.483 -0.484 1
1 429 . 24 1 1 A 35 35 LYS H H 35 7.817 8.087 -0.270 1
1 430 . 24 1 1 A 35 35 LYS HA H 35 3.478 3.721 -0.243 1
1 439 . 24 1 1 A 35 35 LYS C C 35 174.627 178.312 -3.685 1
1 440 . 24 1 1 A 35 35 LYS CA C 35 62.312 59.397 2.915 1
1 441 . 24 1 1 A 35 35 LYS CB C 35 33.814 32.030 1.784 1
1 445 . 24 1 1 A 35 35 LYS N N 35 118.738 118.949 -0.211 1
1 446 . 24 1 1 A 36 36 GLU H H 36 7.208 7.649 -0.441 1
1 447 . 24 1 1 A 36 36 GLU HA H 36 3.801 4.121 -0.320 1
1 452 . 24 1 1 A 36 36 GLU C C 36 175.227 178.770 -3.543 1
1 453 . 24 1 1 A 36 36 GLU CA C 36 61.015 58.879 2.136 1
1 454 . 24 1 1 A 36 36 GLU CB C 36 30.770 29.521 1.249 1
1 456 . 24 1 1 A 36 36 GLU N N 36 118.771 118.826 -0.055 1
1 457 . 24 1 1 A 37 37 LEU H H 37 8.038 7.812 0.226 1
1 458 . 24 1 1 A 37 37 LEU HA H 37 3.178 3.615 -0.437 1
1 468 . 24 1 1 A 37 37 LEU C C 37 172.927 178.550 -5.623 1
1 469 . 24 1 1 A 37 37 LEU CA C 37 60.915 57.717 3.198 1
1 470 . 24 1 1 A 37 37 LEU CB C 37 43.352 41.528 1.824 1
1 474 . 24 1 1 A 37 37 LEU N N 37 121.767 119.872 1.895 1
1 475 . 24 1 1 A 38 38 ILE H H 38 8.224 7.663 0.561 1
1 476 . 24 1 1 A 38 38 ILE HA H 38 3.234 4.045 -0.811 1
1 486 . 24 1 1 A 38 38 ILE C C 38 174.727 177.005 -2.278 1
1 487 . 24 1 1 A 38 38 ILE CA C 38 66.464 62.497 3.967 1
1 488 . 24 1 1 A 38 38 ILE CB C 38 38.799 38.075 0.724 1
1 492 . 24 1 1 A 38 38 ILE N N 38 119.417 119.668 -0.251 1
1 493 . 24 1 1 A 39 39 LYS H H 39 7.700 7.548 0.152 1
1 494 . 24 1 1 A 39 39 LYS HA H 39 3.894 4.413 -0.519 1
1 503 . 24 1 1 A 39 39 LYS C C 39 173.727 178.270 -4.543 1
1 504 . 24 1 1 A 39 39 LYS CA C 39 61.015 56.617 4.398 1
1 505 . 24 1 1 A 39 39 LYS CB C 39 34.100 32.990 1.110 1
1 509 . 24 1 1 A 39 39 LYS N N 39 117.277 121.735 -4.458 1
1 510 . 24 1 1 A 40 40 LYS H H 40 8.170 7.916 0.254 1
1 511 . 24 1 1 A 40 40 LYS HA H 40 4.226 4.181 0.045 1
1 520 . 24 1 1 A 40 40 LYS C C 40 173.427 178.188 -4.761 1
1 521 . 24 1 1 A 40 40 LYS CA C 40 59.251 58.955 0.296 1
1 522 . 24 1 1 A 40 40 LYS CB C 40 35.528 33.078 2.450 1
1 526 . 24 1 1 A 40 40 LYS N N 40 115.146 119.122 -3.976 1
1 527 . 24 1 1 A 41 41 GLU H H 41 8.778 8.198 0.580 1
1 528 . 24 1 1 A 41 41 GLU HA H 41 4.629 4.519 0.110 1
1 533 . 24 1 1 A 41 41 GLU C C 41 175.527 176.334 -0.807 1
1 534 . 24 1 1 A 41 41 GLU CA C 41 57.177 55.852 1.325 1
1 535 . 24 1 1 A 41 41 GLU CB C 41 31.656 31.068 0.588 1
1 537 . 24 1 1 A 41 41 GLU N N 41 113.604 115.640 -2.036 1
1 538 . 24 1 1 A 42 42 LEU H H 42 7.610 7.225 0.385 1
1 539 . 24 1 1 A 42 42 LEU HA H 42 4.475 4.933 -0.458 1
1 549 . 24 1 1 A 42 42 LEU C C 42 177.227 175.702 1.525 1
1 550 . 24 1 1 A 42 42 LEU CA C 42 56.047 54.244 1.803 1
1 551 . 24 1 1 A 42 42 LEU CB C 42 45.748 44.088 1.660 1
1 555 . 24 1 1 A 42 42 LEU N N 42 118.997 122.770 -3.773 1
1 556 . 24 1 1 A 43 43 CYS H H 43 8.501 8.462 0.039 1
1 557 . 24 1 1 A 43 43 CYS HA H 43 4.397 4.821 -0.424 1
1 560 . 24 1 1 A 43 43 CYS C C 43 177.327 174.545 2.782 1
1 561 . 24 1 1 A 43 43 CYS CA C 43 60.023 59.040 0.983 1
1 562 . 24 1 1 A 43 43 CYS CB C 43 27.915 28.275 -0.360 1
1 563 . 24 1 1 A 43 43 CYS N N 43 119.622 123.576 -3.954 1
1 564 . 24 1 1 A 44 44 LEU H H 44 8.200 8.840 -0.640 1
1 565 . 24 1 1 A 44 44 LEU HA H 44 3.979 4.231 -0.252 1
1 575 . 24 1 1 A 44 44 LEU C C 44 173.927 177.036 -3.109 1
1 576 . 24 1 1 A 44 44 LEU CA C 44 57.244 56.606 0.638 1
1 577 . 24 1 1 A 44 44 LEU CB C 44 43.622 42.891 0.731 1
1 581 . 24 1 1 A 44 44 LEU N N 44 121.955 127.372 -5.417 1
1 582 . 24 1 1 A 45 45 GLY H H 45 8.244 7.719 0.525 1
1 583 . 24 1 1 A 45 45 GLY HA2 H 45 3.849 4.058 -0.209 1
1 584 . 24 1 1 A 45 45 GLY HA3 H 45 3.789 4.287 -0.498 1
1 585 . 24 1 1 A 45 45 GLY C C 45 178.027 173.894 4.133 1
1 586 . 24 1 1 A 45 45 GLY CA C 45 47.023 44.267 2.756 1
1 587 . 24 1 1 A 45 45 GLY N N 45 107.702 106.042 1.660 1
1 588 . 24 1 1 A 46 46 GLU H H 46 8.286 8.790 -0.504 1
1 589 . 24 1 1 A 46 46 GLU HA H 46 4.039 4.305 -0.266 1
1 594 . 24 1 1 A 46 46 GLU C C 46 175.127 177.931 -2.804 1
1 595 . 24 1 1 A 46 46 GLU CA C 46 59.176 56.594 2.582 1
1 596 . 24 1 1 A 46 46 GLU CB C 46 31.361 29.478 1.883 1
1 598 . 24 1 1 A 46 46 GLU N N 46 119.602 119.832 -0.230 1
1 599 . 24 1 1 A 47 47 MET H H 47 8.048 7.843 0.205 1
1 600 . 24 1 1 A 47 47 MET HA H 47 4.229 4.172 0.057 1
1 608 . 24 1 1 A 47 47 MET C C 47 175.727 176.728 -1.001 1
1 609 . 24 1 1 A 47 47 MET CA C 47 58.183 58.941 -0.758 1
1 610 . 24 1 1 A 47 47 MET CB C 47 34.087 32.643 1.444 1
1 613 . 24 1 1 A 47 47 MET N N 47 119.617 120.535 -0.918 1
1 614 . 24 1 1 A 48 48 LYS H H 48 8.221 7.764 0.457 1
1 615 . 24 1 1 A 48 48 LYS HA H 48 4.217 4.809 -0.592 1
1 624 . 24 1 1 A 48 48 LYS C C 48 174.927 174.716 0.211 1
1 625 . 24 1 1 A 48 48 LYS CA C 48 58.304 55.477 2.827 1
1 626 . 24 1 1 A 48 48 LYS CB C 48 34.548 34.361 0.187 1
1 630 . 24 1 1 A 48 48 LYS N N 48 120.987 118.465 2.522 1
1 631 . 24 1 1 A 49 49 GLU H H 49 8.346 8.754 -0.408 1
1 632 . 24 1 1 A 49 49 GLU HA H 49 3.922 4.784 -0.862 1
1 637 . 24 1 1 A 49 49 GLU C C 49 174.427 176.520 -2.093 1
1 638 . 24 1 1 A 49 49 GLU CA C 49 60.298 54.706 5.592 1
1 639 . 24 1 1 A 49 49 GLU CB C 49 31.065 33.641 -2.576 1
1 641 . 24 1 1 A 49 49 GLU N N 49 121.867 124.636 -2.769 1
1 642 . 24 1 1 A 50 50 SER H H 50 8.348 8.923 -0.575 1
1 643 . 24 1 1 A 50 50 SER HA H 50 4.172 4.382 -0.210 1
1 647 . 24 1 1 A 50 50 SER C C 50 176.027 175.123 0.904 1
1 648 . 24 1 1 A 50 50 SER CA C 50 62.548 60.273 2.275 1
1 649 . 24 1 1 A 50 50 SER CB C 50 64.840 62.853 1.987 1
1 650 . 24 1 1 A 50 50 SER N N 50 115.695 117.512 -1.817 1
1 651 . 24 1 1 A 51 51 SER H H 51 7.980 8.401 -0.421 1
1 652 . 24 1 1 A 51 51 SER HA H 51 4.258 4.298 -0.040 1
1 655 . 24 1 1 A 51 51 SER C C 51 174.427 175.149 -0.722 1
1 656 . 24 1 1 A 51 51 SER CA C 51 62.828 60.403 2.425 1
1 657 . 24 1 1 A 51 51 SER CB C 51 64.749 62.909 1.840 1
1 658 . 24 1 1 A 51 51 SER N N 51 117.126 115.538 1.588 1
1 659 . 24 1 1 A 52 52 ILE H H 52 7.365 7.621 -0.256 1
1 660 . 24 1 1 A 52 52 ILE HA H 52 4.038 4.319 -0.281 1
1 670 . 24 1 1 A 52 52 ILE C C 52 175.627 177.262 -1.635 1
1 671 . 24 1 1 A 52 52 ILE CA C 52 64.609 60.914 3.695 1
1 672 . 24 1 1 A 52 52 ILE CB C 52 39.272 38.942 0.330 1
1 676 . 24 1 1 A 52 52 ILE N N 52 117.484 113.864 3.620 1
1 677 . 24 1 1 A 53 53 ASP H H 53 7.681 8.059 -0.378 1
1 678 . 24 1 1 A 53 53 ASP HA H 53 4.214 4.440 -0.226 1
1 681 . 24 1 1 A 53 53 ASP C C 53 174.027 178.092 -4.065 1
1 682 . 24 1 1 A 53 53 ASP CA C 53 59.799 56.511 3.288 1
1 683 . 24 1 1 A 53 53 ASP CB C 53 42.927 40.475 2.452 1
1 684 . 24 1 1 A 53 53 ASP N N 53 121.969 121.976 -0.007 1
1 685 . 24 1 1 A 54 54 ASP H H 54 8.227 7.756 0.471 1
1 686 . 24 1 1 A 54 54 ASP HA H 54 4.231 4.317 -0.086 1
1 689 . 24 1 1 A 54 54 ASP C C 54 172.927 178.738 -5.811 1
1 690 . 24 1 1 A 54 54 ASP CA C 54 59.507 57.913 1.594 1
1 691 . 24 1 1 A 54 54 ASP CB C 54 41.818 41.821 -0.003 1
1 692 . 24 1 1 A 54 54 ASP N N 54 118.083 119.910 -1.827 1
1 693 . 24 1 1 A 55 55 LEU H H 55 7.650 8.068 -0.418 1
1 694 . 24 1 1 A 55 55 LEU HA H 55 4.016 4.111 -0.095 1
1 704 . 24 1 1 A 55 55 LEU C C 55 171.927 179.366 -7.439 1
1 705 . 24 1 1 A 55 55 LEU CA C 55 59.965 58.082 1.883 1
1 706 . 24 1 1 A 55 55 LEU CB C 55 43.370 41.351 2.019 1
1 710 . 24 1 1 A 55 55 LEU N N 55 121.634 121.083 0.551 1
1 711 . 24 1 1 A 56 56 MET H H 56 8.429 8.415 0.014 1
1 712 . 24 1 1 A 56 56 MET HA H 56 4.325 4.206 0.119 1
1 720 . 24 1 1 A 56 56 MET C C 56 172.527 178.584 -6.057 1
1 721 . 24 1 1 A 56 56 MET CA C 56 59.221 59.202 0.019 1
1 722 . 24 1 1 A 56 56 MET CB C 56 34.106 32.752 1.354 1
1 725 . 24 1 1 A 56 56 MET N N 56 118.696 116.891 1.805 1
1 726 . 24 1 1 A 57 57 LYS H H 57 8.249 8.154 0.095 1
1 727 . 24 1 1 A 57 57 LYS HA H 57 3.996 4.243 -0.247 1
1 736 . 24 1 1 A 57 57 LYS C C 57 172.527 178.717 -6.190 1
1 737 . 24 1 1 A 57 57 LYS CA C 57 60.872 58.169 2.703 1
1 738 . 24 1 1 A 57 57 LYS CB C 57 33.853 31.966 1.887 1
1 742 . 24 1 1 A 57 57 LYS N N 57 119.855 119.522 0.333 1
1 743 . 24 1 1 A 58 58 SER H H 58 7.729 7.946 -0.217 1
1 744 . 24 1 1 A 58 58 SER HA H 58 4.125 4.304 -0.179 1
1 747 . 24 1 1 A 58 58 SER C C 58 176.527 176.515 0.012 1
1 748 . 24 1 1 A 58 58 SER CA C 58 63.029 61.103 1.926 1
1 749 . 24 1 1 A 58 58 SER CB C 58 64.686 63.123 1.563 1
1 750 . 24 1 1 A 58 58 SER N N 58 115.984 115.143 0.841 1
1 751 . 24 1 1 A 59 59 LEU H H 59 7.288 7.448 -0.160 1
1 752 . 24 1 1 A 59 59 LEU HA H 59 4.058 4.132 -0.074 1
1 762 . 24 1 1 A 59 59 LEU C C 59 175.827 178.903 -3.076 1
1 763 . 24 1 1 A 59 59 LEU CA C 59 57.364 57.674 -0.310 1
1 764 . 24 1 1 A 59 59 LEU CB C 59 42.712 41.965 0.747 1
1 768 . 24 1 1 A 59 59 LEU N N 59 120.622 121.694 -1.072 1
1 769 . 24 1 1 A 60 60 ASP H H 60 7.431 8.275 -0.844 1
1 770 . 24 1 1 A 60 60 ASP HA H 60 4.386 4.519 -0.133 1
1 773 . 24 1 1 A 60 60 ASP C C 60 175.927 177.578 -1.651 1
1 774 . 24 1 1 A 60 60 ASP CA C 60 57.012 56.580 0.432 1
1 775 . 24 1 1 A 60 60 ASP CB C 60 42.351 40.725 1.626 1
1 776 . 24 1 1 A 60 60 ASP N N 60 116.755 119.119 -2.364 1
1 777 . 24 1 1 A 61 61 LYS H H 61 7.243 7.791 -0.548 1
1 778 . 24 1 1 A 61 61 LYS HA H 61 4.223 3.940 0.283 1
1 787 . 24 1 1 A 61 61 LYS C C 61 176.527 177.735 -1.208 1
1 788 . 24 1 1 A 61 61 LYS CA C 61 57.287 59.423 -2.136 1
1 789 . 24 1 1 A 61 61 LYS CB C 61 34.683 32.008 2.675 1
1 793 . 24 1 1 A 61 61 LYS N N 61 119.913 119.947 -0.034 1
1 794 . 24 1 1 A 62 62 ASN H H 62 8.725 7.485 1.240 1
1 795 . 24 1 1 A 62 62 ASN HA H 62 4.462 4.925 -0.463 1
1 800 . 24 1 1 A 62 62 ASN C C 62 175.627 175.613 0.014 1
1 801 . 24 1 1 A 62 62 ASN CA C 62 55.452 52.987 2.465 1
1 802 . 24 1 1 A 62 62 ASN CB C 62 39.336 40.855 -1.519 1
1 803 . 24 1 1 A 62 62 ASN N N 62 120.247 114.955 5.292 1
1 805 . 24 1 1 A 63 63 SER H H 63 8.061 7.922 0.139 1
1 806 . 24 1 1 A 63 63 SER HA H 63 3.957 4.060 -0.103 1
1 809 . 24 1 1 A 63 63 SER C C 63 174.827 173.949 0.878 1
1 810 . 24 1 1 A 63 63 SER CA C 63 62.954 61.141 1.813 1
1 811 . 24 1 1 A 63 63 SER CB C 63 65.586 61.032 4.554 1
1 812 . 24 1 1 A 63 63 SER N N 63 113.249 112.344 0.905 1
1 813 . 24 1 1 A 64 64 ASP H H 64 8.408 8.341 0.067 1
1 814 . 24 1 1 A 64 64 ASP HA H 64 4.573 4.763 -0.190 1
1 817 . 24 1 1 A 64 64 ASP C C 64 176.027 175.426 0.601 1
1 818 . 24 1 1 A 64 64 ASP CA C 64 55.789 53.845 1.944 1
1 819 . 24 1 1 A 64 64 ASP CB C 64 42.365 42.046 0.319 1
1 820 . 24 1 1 A 64 64 ASP N N 64 117.587 117.361 0.226 1
1 821 . 24 1 1 A 65 65 GLN H H 65 7.779 7.508 0.271 1
1 822 . 24 1 1 A 65 65 GLN HA H 65 4.026 4.341 -0.315 1
1 829 . 24 1 1 A 65 65 GLN C C 65 176.827 175.722 1.105 1
1 830 . 24 1 1 A 65 65 GLN CA C 65 58.241 55.879 2.362 1
1 831 . 24 1 1 A 65 65 GLN CB C 65 31.309 29.229 2.080 1
1 833 . 24 1 1 A 65 65 GLN N N 65 121.059 119.134 1.925 1
1 835 . 24 1 1 A 66 66 GLU H H 66 8.365 8.704 -0.339 1
1 836 . 24 1 1 A 66 66 GLU HA H 66 4.320 4.653 -0.333 1
1 841 . 24 1 1 A 66 66 GLU C C 66 176.227 175.942 0.285 1
1 842 . 24 1 1 A 66 66 GLU CA C 66 58.238 57.125 1.113 1
1 843 . 24 1 1 A 66 66 GLU CB C 66 32.567 30.467 2.100 1
1 845 . 24 1 1 A 66 66 GLU N N 66 123.061 121.576 1.485 1
1 846 . 24 1 1 A 67 67 ILE H H 67 9.350 8.729 0.621 1
1 847 . 24 1 1 A 67 67 ILE HA H 67 4.543 5.041 -0.498 1
1 857 . 24 1 1 A 67 67 ILE C C 67 178.127 173.917 4.210 1
1 858 . 24 1 1 A 67 67 ILE CA C 67 61.173 59.529 1.644 1
1 859 . 24 1 1 A 67 67 ILE CB C 67 41.460 41.279 0.181 1
1 863 . 24 1 1 A 67 67 ILE N N 67 121.809 121.055 0.754 1
1 864 . 24 1 1 A 68 68 ASP H H 68 8.140 8.640 -0.500 1
1 865 . 24 1 1 A 68 68 ASP HA H 68 5.408 5.117 0.291 1
1 868 . 24 1 1 A 68 68 ASP C C 68 176.127 177.096 -0.969 1
1 869 . 24 1 1 A 68 68 ASP CA C 68 53.471 53.821 -0.350 1
1 870 . 24 1 1 A 68 68 ASP CB C 68 43.898 43.075 0.823 1
1 871 . 24 1 1 A 68 68 ASP N N 68 122.626 126.373 -3.747 1
1 872 . 24 1 1 A 69 69 PHE H H 69 9.486 9.375 0.111 1
1 873 . 24 1 1 A 69 69 PHE HA H 69 3.397 4.137 -0.740 1
1 880 . 24 1 1 A 69 69 PHE C C 69 174.727 177.196 -2.469 1
1 881 . 24 1 1 A 69 69 PHE CA C 69 63.764 61.660 2.104 1
1 882 . 24 1 1 A 69 69 PHE CB C 69 42.009 39.145 2.864 1
1 883 . 24 1 1 A 69 69 PHE N N 69 118.584 127.699 -9.115 1
1 884 . 24 1 1 A 70 70 LYS H H 70 7.510 8.429 -0.919 1
1 885 . 24 1 1 A 70 70 LYS HA H 70 3.633 4.060 -0.427 1
1 894 . 24 1 1 A 70 70 LYS C C 70 173.627 179.986 -6.359 1
1 895 . 24 1 1 A 70 70 LYS CA C 70 61.940 59.238 2.702 1
1 896 . 24 1 1 A 70 70 LYS CB C 70 33.189 32.285 0.904 1
1 900 . 24 1 1 A 70 70 LYS N N 70 117.327 118.267 -0.940 1
1 901 . 24 1 1 A 71 71 GLU H H 71 8.151 7.887 0.264 1
1 902 . 24 1 1 A 71 71 GLU HA H 71 3.930 4.124 -0.194 1
1 907 . 24 1 1 A 71 71 GLU C C 71 173.127 178.870 -5.743 1
1 908 . 24 1 1 A 71 71 GLU CA C 71 61.000 59.188 1.812 1
1 909 . 24 1 1 A 71 71 GLU CB C 71 31.639 29.529 2.110 1
1 911 . 24 1 1 A 71 71 GLU N N 71 120.925 120.471 0.454 1
1 912 . 24 1 1 A 72 72 TYR H H 72 8.454 7.845 0.609 1
1 913 . 24 1 1 A 72 72 TYR HA H 72 4.047 4.223 -0.176 1
1 920 . 24 1 1 A 72 72 TYR C C 72 177.227 178.132 -0.905 1
1 921 . 24 1 1 A 72 72 TYR CA C 72 62.068 61.029 1.039 1
1 922 . 24 1 1 A 72 72 TYR CB C 72 39.522 38.489 1.033 1
1 923 . 24 1 1 A 72 72 TYR N N 72 123.271 122.453 0.818 1
1 924 . 24 1 1 A 73 73 SER H H 73 7.990 8.199 -0.209 1
1 925 . 24 1 1 A 73 73 SER HA H 73 3.245 4.047 -0.802 1
1 928 . 24 1 1 A 73 73 SER C C 73 174.327 176.622 -2.295 1
1 929 . 24 1 1 A 73 73 SER CA C 73 62.841 61.330 1.511 1
1 930 . 24 1 1 A 73 73 SER CB C 73 64.317 62.529 1.788 1
1 931 . 24 1 1 A 73 73 SER N N 73 115.432 114.415 1.017 1
1 932 . 24 1 1 A 74 74 VAL H H 74 8.112 8.011 0.101 1
1 933 . 24 1 1 A 74 74 VAL HA H 74 3.375 3.831 -0.456 1
1 941 . 24 1 1 A 74 74 VAL C C 74 174.427 178.216 -3.789 1
1 942 . 24 1 1 A 74 74 VAL CA C 74 68.677 65.914 2.763 1
1 943 . 24 1 1 A 74 74 VAL CB C 74 33.164 31.459 1.705 1
1 946 . 24 1 1 A 74 74 VAL N N 74 123.807 119.005 4.802 1
1 947 . 24 1 1 A 75 75 PHE H H 75 8.149 8.331 -0.182 1
1 948 . 24 1 1 A 75 75 PHE HA H 75 3.878 4.204 -0.326 1
1 955 . 24 1 1 A 75 75 PHE C C 75 174.627 176.929 -2.302 1
1 956 . 24 1 1 A 75 75 PHE CA C 75 64.444 61.533 2.911 1
1 957 . 24 1 1 A 75 75 PHE CB C 75 40.823 39.111 1.712 1
1 958 . 24 1 1 A 75 75 PHE N N 75 122.351 124.092 -1.741 1
1 959 . 24 1 1 A 76 76 LEU H H 76 8.141 8.471 -0.330 1
1 960 . 24 1 1 A 76 76 LEU HA H 76 3.648 3.926 -0.278 1
1 970 . 24 1 1 A 76 76 LEU C C 76 173.327 179.208 -5.881 1
1 971 . 24 1 1 A 76 76 LEU CA C 76 59.810 58.048 1.762 1
1 972 . 24 1 1 A 76 76 LEU CB C 76 42.994 41.599 1.395 1
1 976 . 24 1 1 A 76 76 LEU N N 76 116.801 119.768 -2.967 1
1 977 . 24 1 1 A 77 77 THR H H 77 8.005 8.257 -0.252 1
1 978 . 24 1 1 A 77 77 THR HA H 77 3.561 3.738 -0.177 1
1 984 . 24 1 1 A 77 77 THR C C 77 176.427 175.595 0.832 1
1 985 . 24 1 1 A 77 77 THR CA C 77 69.876 66.527 3.349 1
1 986 . 24 1 1 A 77 77 THR CB C 77 71.163 68.136 3.027 1
1 988 . 24 1 1 A 77 77 THR N N 77 116.415 116.297 0.118 1
1 989 . 24 1 1 A 78 78 MET H H 78 8.059 8.623 -0.564 1
1 990 . 24 1 1 A 78 78 MET HA H 78 3.771 4.030 -0.259 1
1 995 . 24 1 1 A 78 78 MET C C 78 172.927 178.559 -5.632 1
1 996 . 24 1 1 A 78 78 MET CA C 78 60.751 58.157 2.594 1
1 997 . 24 1 1 A 78 78 MET CB C 78 33.255 31.948 1.307 1
1 999 . 24 1 1 A 78 78 MET N N 78 120.960 119.665 1.295 1
1 1000 . 24 1 1 A 79 79 LEU H H 79 8.007 8.068 -0.061 1
1 1001 . 24 1 1 A 79 79 LEU HA H 79 3.646 3.965 -0.319 1
1 1011 . 24 1 1 A 79 79 LEU C C 79 174.527 178.084 -3.557 1
1 1012 . 24 1 1 A 79 79 LEU CA C 79 59.756 57.828 1.928 1
1 1013 . 24 1 1 A 79 79 LEU CB C 79 42.961 41.521 1.440 1
1 1017 . 24 1 1 A 79 79 LEU N N 79 120.772 120.658 0.114 1
1 1018 . 24 1 1 A 80 80 CYS H H 80 8.268 8.302 -0.034 1
1 1019 . 24 1 1 A 80 80 CYS HA H 80 3.344 2.664 0.680 1
1 1022 . 24 1 1 A 80 80 CYS C C 80 176.127 176.268 -0.141 1
1 1023 . 24 1 1 A 80 80 CYS CA C 80 64.083 62.056 2.027 1
1 1024 . 24 1 1 A 80 80 CYS CB C 80 28.199 26.366 1.833 1
1 1025 . 24 1 1 A 80 80 CYS N N 80 118.257 118.221 0.036 1
1 1026 . 24 1 1 A 81 81 MET H H 81 7.600 8.382 -0.782 1
1 1027 . 24 1 1 A 81 81 MET HA H 81 3.242 4.164 -0.922 1
1 1035 . 24 1 1 A 81 81 MET C C 81 176.227 178.047 -1.820 1
1 1036 . 24 1 1 A 81 81 MET CA C 81 60.091 57.300 2.791 1
1 1037 . 24 1 1 A 81 81 MET CB C 81 34.090 32.067 2.023 1
1 1040 . 24 1 1 A 81 81 MET N N 81 114.515 118.173 -3.658 1
1 1041 . 24 1 1 A 82 82 ALA H H 82 7.299 7.287 0.012 1
1 1042 . 24 1 1 A 82 82 ALA HA H 82 4.121 4.020 0.101 1
1 1046 . 24 1 1 A 82 82 ALA C C 82 173.827 177.482 -3.655 1
1 1047 . 24 1 1 A 82 82 ALA CA C 82 54.930 54.451 0.479 1
1 1048 . 24 1 1 A 82 82 ALA CB C 82 20.641 18.314 2.327 1
1 1049 . 24 1 1 A 82 82 ALA N N 82 118.977 123.399 -4.422 1
1 1050 . 24 1 1 A 83 83 TYR H H 83 7.623 7.199 0.424 1
1 1051 . 24 1 1 A 83 83 TYR HA H 83 4.771 4.611 0.160 1
1 1058 . 24 1 1 A 83 83 TYR CA C 83 59.333 56.937 2.396 1
1 1059 . 24 1 1 A 83 83 TYR CB C 83 41.599 39.008 2.591 1
1 1060 . 24 1 1 A 83 83 TYR N N 83 113.311 112.239 1.072 1
1 1061 . 24 1 1 A 84 84 ASN HA H 84 4.534 4.312 0.222 1
1 1064 . 24 1 1 A 84 84 ASN CA C 84 56.126 53.864 2.262 1
1 1065 . 24 1 1 A 84 84 ASN CB C 84 41.990 37.184 4.806 1
1 1066 . 24 1 1 A 85 85 ASP H H 85 8.681 8.392 0.289 1
1 1067 . 24 1 1 A 85 85 ASP HA H 85 4.086 4.331 -0.245 1
1 1070 . 24 1 1 A 85 85 ASP CA C 85 58.457 56.534 1.923 1
1 1071 . 24 1 1 A 85 85 ASP CB C 85 42.260 39.448 2.812 1
1 1072 . 24 1 1 A 85 85 ASP N N 85 126.079 120.335 5.744 1
1 1073 . 24 1 1 A 86 86 PHE H H 86 8.672 7.599 1.073 1
1 1074 . 24 1 1 A 86 86 PHE HA H 86 3.744 4.332 -0.588 1
1 1081 . 24 1 1 A 86 86 PHE C C 86 176.827 177.999 -1.172 1
1 1082 . 24 1 1 A 86 86 PHE CA C 86 62.903 60.964 1.939 1
1 1083 . 24 1 1 A 86 86 PHE CB C 86 41.596 38.234 3.362 1
1 1084 . 24 1 1 A 86 86 PHE N N 86 121.950 117.591 4.359 1
1 1085 . 24 1 1 A 87 87 PHE H H 87 7.225 7.613 -0.388 1
1 1086 . 24 1 1 A 87 87 PHE HA H 87 3.836 4.446 -0.610 1
1 1093 . 24 1 1 A 87 87 PHE C C 87 176.927 176.084 0.843 1
1 1094 . 24 1 1 A 87 87 PHE CA C 87 60.422 60.732 -0.310 1
1 1095 . 24 1 1 A 87 87 PHE CB C 87 41.081 39.175 1.906 1
1 1096 . 24 1 1 A 87 87 PHE N N 87 110.928 117.515 -6.587 1
1 1097 . 24 1 1 A 88 88 LEU H H 88 7.130 8.022 -0.892 1
1 1098 . 24 1 1 A 88 88 LEU HA H 88 4.169 4.666 -0.497 1
1 1108 . 24 1 1 A 88 88 LEU C C 88 175.027 177.006 -1.979 1
1 1109 . 24 1 1 A 88 88 LEU CA C 88 56.962 53.986 2.976 1
1 1110 . 24 1 1 A 88 88 LEU CB C 88 44.199 42.662 1.537 1
1 1114 . 24 1 1 A 88 88 LEU N N 88 119.732 120.568 -0.836 1
1 1115 . 24 1 1 A 89 89 GLU H H 89 8.097 8.756 -0.659 1
1 1116 . 24 1 1 A 89 89 GLU HA H 89 4.087 4.601 -0.514 1
1 1121 . 24 1 1 A 89 89 GLU C C 89 176.427 175.008 1.419 1
1 1122 . 24 1 1 A 89 89 GLU CA C 89 58.216 56.052 2.164 1
1 1123 . 24 1 1 A 89 89 GLU CB C 89 32.309 31.856 0.453 1
1 1125 . 24 1 1 A 89 89 GLU N N 89 121.626 121.264 0.362 1
1 1126 . 24 1 1 A 90 90 ASP H H 90 8.243 7.704 0.539 1
1 1127 . 24 1 1 A 90 90 ASP HA H 90 4.425 4.892 -0.467 1
1 1130 . 24 1 1 A 90 90 ASP C C 90 176.527 173.967 2.560 1
1 1131 . 24 1 1 A 90 90 ASP CA C 90 55.815 53.600 2.215 1
1 1132 . 24 1 1 A 90 90 ASP CB C 90 42.874 43.814 -0.940 1
1 1133 . 24 1 1 A 90 90 ASP N N 90 121.280 117.674 3.606 1
1 1134 . 24 1 1 A 91 91 ASN H H 91 8.267 8.680 -0.413 1
1 1135 . 24 1 1 A 91 91 ASN HA H 91 4.563 4.650 -0.087 1
1 1140 . 24 1 1 A 91 91 ASN C C 91 178.127 174.274 3.853 1
1 1141 . 24 1 1 A 91 91 ASN CA C 91 54.928 52.590 2.338 1
1 1142 . 24 1 1 A 91 91 ASN CB C 91 40.529 37.919 2.610 1
1 1143 . 24 1 1 A 91 91 ASN N N 91 119.209 120.725 -1.516 1
1 14 . 25 1 1 A 2 2 GLU H H 2 8.722 8.192 0.530 1
1 15 . 25 1 1 A 2 2 GLU HA H 2 4.557 4.383 0.174 1
1 20 . 25 1 1 A 2 2 GLU C C 2 175.827 174.624 1.203 1
1 21 . 25 1 1 A 2 2 GLU CA C 2 58.063 57.227 0.836 1
1 22 . 25 1 1 A 2 2 GLU CB C 2 33.147 28.720 4.427 1
1 24 . 25 1 1 A 2 2 GLU N N 2 124.627 117.914 6.713 1
1 25 . 25 1 1 A 3 3 THR H H 3 8.670 8.480 0.190 1
1 26 . 25 1 1 A 3 3 THR HA H 3 4.616 4.966 -0.350 1
1 31 . 25 1 1 A 3 3 THR CA C 3 61.734 58.967 2.767 1
1 32 . 25 1 1 A 3 3 THR CB C 3 70.590 70.733 -0.143 1
1 34 . 25 1 1 A 3 3 THR N N 3 116.274 114.914 1.360 1
1 35 . 25 1 1 A 4 4 PRO HA H 4 4.161 4.485 -0.324 1
1 42 . 25 1 1 A 4 4 PRO C C 4 172.227 177.516 -5.289 1
1 43 . 25 1 1 A 4 4 PRO CA C 4 68.211 64.228 3.983 1
1 44 . 25 1 1 A 4 4 PRO CB C 4 33.796 31.698 2.098 1
1 47 . 25 1 1 A 5 5 LEU H H 5 9.207 7.642 1.565 1
1 48 . 25 1 1 A 5 5 LEU HA H 5 4.038 4.067 -0.029 1
1 58 . 25 1 1 A 5 5 LEU C C 5 174.327 178.290 -3.963 1
1 59 . 25 1 1 A 5 5 LEU CA C 5 59.483 57.209 2.274 1
1 60 . 25 1 1 A 5 5 LEU CB C 5 43.877 41.461 2.416 1
1 64 . 25 1 1 A 5 5 LEU N N 5 119.157 118.269 0.888 1
1 65 . 25 1 1 A 6 6 GLU H H 6 7.661 8.191 -0.530 1
1 66 . 25 1 1 A 6 6 GLU HA H 6 3.755 3.968 -0.213 1
1 71 . 25 1 1 A 6 6 GLU C C 6 172.727 179.183 -6.456 1
1 72 . 25 1 1 A 6 6 GLU CA C 6 61.953 59.735 2.218 1
1 73 . 25 1 1 A 6 6 GLU CB C 6 31.354 29.362 1.992 1
1 75 . 25 1 1 A 6 6 GLU N N 6 119.837 119.024 0.813 1
1 76 . 25 1 1 A 7 7 LYS H H 7 8.430 8.017 0.413 1
1 77 . 25 1 1 A 7 7 LYS HA H 7 3.921 4.105 -0.184 1
1 86 . 25 1 1 A 7 7 LYS C C 7 172.927 178.885 -5.958 1
1 87 . 25 1 1 A 7 7 LYS CA C 7 61.312 58.623 2.689 1
1 88 . 25 1 1 A 7 7 LYS CB C 7 33.861 32.315 1.546 1
1 92 . 25 1 1 A 7 7 LYS N N 7 119.023 119.094 -0.071 1
1 93 . 25 1 1 A 8 8 ALA H H 8 8.079 8.065 0.014 1
1 94 . 25 1 1 A 8 8 ALA HA H 8 4.085 4.028 0.057 1
1 98 . 25 1 1 A 8 8 ALA C C 8 173.027 180.108 -7.081 1
1 99 . 25 1 1 A 8 8 ALA CA C 8 56.967 54.996 1.971 1
1 100 . 25 1 1 A 8 8 ALA CB C 8 20.140 18.600 1.540 1
1 101 . 25 1 1 A 8 8 ALA N N 8 123.824 122.603 1.221 1
1 102 . 25 1 1 A 9 9 LEU H H 9 8.032 7.900 0.132 1
1 103 . 25 1 1 A 9 9 LEU HA H 9 4.061 4.026 0.035 1
1 113 . 25 1 1 A 9 9 LEU C C 9 172.527 179.227 -6.700 1
1 114 . 25 1 1 A 9 9 LEU CA C 9 60.071 57.868 2.203 1
1 115 . 25 1 1 A 9 9 LEU CB C 9 42.714 42.292 0.422 1
1 119 . 25 1 1 A 9 9 LEU N N 9 118.643 117.860 0.783 1
1 120 . 25 1 1 A 10 10 THR H H 10 8.686 8.165 0.521 1
1 121 . 25 1 1 A 10 10 THR HA H 10 3.798 3.933 -0.135 1
1 126 . 25 1 1 A 10 10 THR C C 10 175.127 176.858 -1.731 1
1 127 . 25 1 1 A 10 10 THR CA C 10 69.282 66.380 2.902 1
1 128 . 25 1 1 A 10 10 THR CB C 10 70.132 68.346 1.786 1
1 130 . 25 1 1 A 10 10 THR N N 10 117.087 114.386 2.701 1
1 131 . 25 1 1 A 11 11 THR H H 11 8.628 8.104 0.524 1
1 132 . 25 1 1 A 11 11 THR HA H 11 3.961 3.958 0.003 1
1 137 . 25 1 1 A 11 11 THR C C 11 174.427 176.868 -2.441 1
1 138 . 25 1 1 A 11 11 THR CA C 11 68.408 66.491 1.917 1
1 139 . 25 1 1 A 11 11 THR CB C 11 69.107 68.363 0.744 1
1 141 . 25 1 1 A 11 11 THR N N 11 120.770 116.369 4.401 1
1 142 . 25 1 1 A 12 12 MET H H 12 8.390 8.500 -0.110 1
1 143 . 25 1 1 A 12 12 MET HA H 12 3.956 4.346 -0.390 1
1 151 . 25 1 1 A 12 12 MET C C 12 175.127 178.440 -3.313 1
1 152 . 25 1 1 A 12 12 MET CA C 12 62.750 58.597 4.153 1
1 153 . 25 1 1 A 12 12 MET CB C 12 34.952 32.850 2.102 1
1 156 . 25 1 1 A 12 12 MET N N 12 124.388 119.064 5.324 1
1 157 . 25 1 1 A 13 13 VAL H H 13 8.104 8.553 -0.449 1
1 158 . 25 1 1 A 13 13 VAL HA H 13 3.576 4.335 -0.759 1
1 166 . 25 1 1 A 13 13 VAL C C 13 175.327 178.634 -3.307 1
1 167 . 25 1 1 A 13 13 VAL CA C 13 68.958 66.078 2.880 1
1 168 . 25 1 1 A 13 13 VAL CB C 13 33.703 31.700 2.003 1
1 171 . 25 1 1 A 13 13 VAL N N 13 121.753 116.846 4.907 1
1 172 . 25 1 1 A 14 14 THR H H 14 9.186 8.494 0.692 1
1 173 . 25 1 1 A 14 14 THR HA H 14 3.774 4.064 -0.290 1
1 178 . 25 1 1 A 14 14 THR C C 14 173.927 176.688 -2.761 1
1 179 . 25 1 1 A 14 14 THR CA C 14 67.955 65.822 2.133 1
1 180 . 25 1 1 A 14 14 THR CB C 14 70.504 68.486 2.018 1
1 182 . 25 1 1 A 14 14 THR N N 14 114.911 116.671 -1.760 1
1 183 . 25 1 1 A 15 15 THR H H 15 8.453 8.379 0.074 1
1 184 . 25 1 1 A 15 15 THR HA H 15 3.859 4.158 -0.299 1
1 190 . 25 1 1 A 15 15 THR C C 15 178.127 176.704 1.423 1
1 191 . 25 1 1 A 15 15 THR CA C 15 69.609 65.950 3.659 1
1 192 . 25 1 1 A 15 15 THR CB C 15 70.511 68.350 2.161 1
1 194 . 25 1 1 A 15 15 THR N N 15 118.791 113.495 5.296 1
1 195 . 25 1 1 A 16 16 PHE H H 16 7.207 8.363 -1.156 1
1 196 . 25 1 1 A 16 16 PHE HA H 16 3.572 3.991 -0.419 1
1 203 . 25 1 1 A 16 16 PHE C C 16 178.527 177.696 0.831 1
1 204 . 25 1 1 A 16 16 PHE CA C 16 64.090 61.440 2.650 1
1 205 . 25 1 1 A 16 16 PHE CB C 16 41.091 38.751 2.340 1
1 206 . 25 1 1 A 16 16 PHE N N 16 121.331 123.462 -2.131 1
1 207 . 25 1 1 A 17 17 HIS H H 17 8.393 8.716 -0.323 1
1 208 . 25 1 1 A 17 17 HIS HA H 17 5.329 4.146 1.183 1
1 211 . 25 1 1 A 17 17 HIS C C 17 174.627 176.937 -2.310 1
1 212 . 25 1 1 A 17 17 HIS CA C 17 56.667 59.129 -2.462 1
1 213 . 25 1 1 A 17 17 HIS CB C 17 32.397 30.105 2.292 1
1 214 . 25 1 1 A 17 17 HIS N N 17 117.858 118.885 -1.027 1
1 215 . 25 1 1 A 18 18 LYS H H 18 7.767 7.960 -0.193 1
1 216 . 25 1 1 A 18 18 LYS HA H 18 3.553 3.822 -0.269 1
1 225 . 25 1 1 A 18 18 LYS C C 18 175.527 177.145 -1.618 1
1 226 . 25 1 1 A 18 18 LYS CA C 18 61.301 58.657 2.644 1
1 227 . 25 1 1 A 18 18 LYS CB C 18 33.523 32.096 1.427 1
1 231 . 25 1 1 A 18 18 LYS N N 18 120.691 118.455 2.236 1
1 232 . 25 1 1 A 19 19 TYR H H 19 7.079 7.676 -0.597 1
1 233 . 25 1 1 A 19 19 TYR HA H 19 3.993 4.544 -0.551 1
1 240 . 25 1 1 A 19 19 TYR C C 19 174.227 176.354 -2.127 1
1 241 . 25 1 1 A 19 19 TYR CA C 19 61.287 58.567 2.720 1
1 242 . 25 1 1 A 19 19 TYR CB C 19 42.066 40.210 1.856 1
1 243 . 25 1 1 A 19 19 TYR N N 19 114.592 116.835 -2.243 1
1 244 . 25 1 1 A 20 20 SER H H 20 9.708 7.815 1.893 1
1 245 . 25 1 1 A 20 20 SER HA H 20 4.117 4.239 -0.122 1
1 248 . 25 1 1 A 20 20 SER C C 20 175.227 175.953 -0.726 1
1 249 . 25 1 1 A 20 20 SER CA C 20 60.135 59.927 0.208 1
1 250 . 25 1 1 A 20 20 SER CB C 20 63.159 63.247 -0.088 1
1 251 . 25 1 1 A 20 20 SER N N 20 121.764 115.519 6.245 1
1 252 . 25 1 1 A 21 21 GLY H H 21 8.146 7.983 0.163 1
1 253 . 25 1 1 A 21 21 GLY HA2 H 21 3.956 3.625 0.331 1
1 254 . 25 1 1 A 21 21 GLY HA3 H 21 3.571 4.095 -0.524 1
1 255 . 25 1 1 A 21 21 GLY C C 21 177.927 174.605 3.322 1
1 256 . 25 1 1 A 21 21 GLY CA C 21 46.646 45.566 1.080 1
1 257 . 25 1 1 A 21 21 GLY N N 21 106.982 106.881 0.101 1
1 258 . 25 1 1 A 22 22 ARG H H 22 7.007 7.928 -0.921 1
1 259 . 25 1 1 A 22 22 ARG HA H 22 3.815 4.279 -0.464 1
1 266 . 25 1 1 A 22 22 ARG C C 22 175.927 175.654 0.273 1
1 267 . 25 1 1 A 22 22 ARG CA C 22 60.766 57.207 3.559 1
1 268 . 25 1 1 A 22 22 ARG CB C 22 32.302 31.699 0.603 1
1 271 . 25 1 1 A 22 22 ARG N N 22 118.055 119.508 -1.453 1
1 272 . 25 1 1 A 23 23 GLU H H 23 7.551 7.586 -0.035 1
1 273 . 25 1 1 A 23 23 GLU HA H 23 4.436 4.532 -0.096 1
1 278 . 25 1 1 A 23 23 GLU C C 23 177.727 175.691 2.036 1
1 279 . 25 1 1 A 23 23 GLU CA C 23 56.853 56.111 0.742 1
1 280 . 25 1 1 A 23 23 GLU CB C 23 33.988 32.214 1.774 1
1 282 . 25 1 1 A 23 23 GLU N N 23 114.631 116.960 -2.329 1
1 283 . 25 1 1 A 24 24 GLY H H 24 8.376 8.619 -0.243 1
1 284 . 25 1 1 A 24 24 GLY HA2 H 24 3.771 3.974 -0.203 1
1 285 . 25 1 1 A 24 24 GLY HA3 H 24 3.567 4.154 -0.587 1
1 286 . 25 1 1 A 24 24 GLY C C 24 177.127 173.524 3.603 1
1 287 . 25 1 1 A 24 24 GLY CA C 24 47.718 45.829 1.889 1
1 288 . 25 1 1 A 24 24 GLY N N 24 107.626 110.279 -2.653 1
1 289 . 25 1 1 A 25 25 SER H H 25 8.443 7.623 0.820 1
1 290 . 25 1 1 A 25 25 SER HA H 25 4.314 4.980 -0.666 1
1 293 . 25 1 1 A 25 25 SER C C 25 175.527 173.892 1.635 1
1 294 . 25 1 1 A 25 25 SER CA C 25 59.146 57.400 1.746 1
1 295 . 25 1 1 A 25 25 SER CB C 25 65.573 66.703 -1.130 1
1 296 . 25 1 1 A 25 25 SER N N 25 119.000 115.046 3.954 1
1 297 . 25 1 1 A 26 26 LYS H H 26 8.821 8.631 0.190 1
1 298 . 25 1 1 A 26 26 LYS HA H 26 4.307 4.426 -0.119 1
1 307 . 25 1 1 A 26 26 LYS C C 26 176.027 177.011 -0.984 1
1 308 . 25 1 1 A 26 26 LYS CA C 26 59.180 57.588 1.592 1
1 309 . 25 1 1 A 26 26 LYS CB C 26 33.211 32.246 0.965 1
1 313 . 25 1 1 A 26 26 LYS N N 26 126.125 124.075 2.050 1
1 314 . 25 1 1 A 27 27 LEU H H 27 8.237 8.033 0.204 1
1 315 . 25 1 1 A 27 27 LEU HA H 27 4.534 4.963 -0.429 1
1 325 . 25 1 1 A 27 27 LEU C C 27 175.627 176.402 -0.775 1
1 326 . 25 1 1 A 27 27 LEU CA C 27 56.384 54.524 1.860 1
1 327 . 25 1 1 A 27 27 LEU CB C 27 44.218 43.527 0.691 1
1 331 . 25 1 1 A 27 27 LEU N N 27 117.484 114.643 2.841 1
1 332 . 25 1 1 A 28 28 THR H H 28 7.386 7.818 -0.432 1
1 333 . 25 1 1 A 28 28 THR HA H 28 5.517 5.546 -0.029 1
1 338 . 25 1 1 A 28 28 THR C C 28 180.227 173.166 7.061 1
1 339 . 25 1 1 A 28 28 THR CA C 28 61.014 60.109 0.905 1
1 340 . 25 1 1 A 28 28 THR CB C 28 75.348 72.099 3.249 1
1 342 . 25 1 1 A 28 28 THR N N 28 106.230 110.506 -4.276 1
1 343 . 25 1 1 A 29 29 LEU H H 29 8.721 8.467 0.254 1
1 344 . 25 1 1 A 29 29 LEU HA H 29 4.713 4.766 -0.053 1
1 354 . 25 1 1 A 29 29 LEU C C 29 176.927 175.637 1.290 1
1 355 . 25 1 1 A 29 29 LEU CA C 29 55.163 53.733 1.430 1
1 356 . 25 1 1 A 29 29 LEU CB C 29 46.059 44.410 1.649 1
1 360 . 25 1 1 A 29 29 LEU N N 29 116.728 117.049 -0.321 1
1 361 . 25 1 1 A 30 30 SER H H 30 8.866 8.755 0.111 1
1 362 . 25 1 1 A 30 30 SER HA H 30 4.942 4.857 0.085 1
1 365 . 25 1 1 A 30 30 SER C C 30 176.327 175.434 0.893 1
1 366 . 25 1 1 A 30 30 SER CA C 30 59.032 56.999 2.033 1
1 367 . 25 1 1 A 30 30 SER CB C 30 67.150 65.484 1.666 1
1 368 . 25 1 1 A 30 30 SER N N 30 117.110 115.350 1.760 1
1 369 . 25 1 1 A 31 31 ARG H H 31 8.393 9.028 -0.635 1
1 370 . 25 1 1 A 31 31 ARG HA H 31 3.695 3.919 -0.224 1
1 377 . 25 1 1 A 31 31 ARG C C 31 174.127 178.026 -3.899 1
1 378 . 25 1 1 A 31 31 ARG CA C 31 62.776 59.587 3.189 1
1 379 . 25 1 1 A 31 31 ARG CB C 31 31.601 29.861 1.740 1
1 382 . 25 1 1 A 31 31 ARG N N 31 121.109 122.502 -1.393 1
1 383 . 25 1 1 A 32 32 LYS H H 32 8.264 7.718 0.546 1
1 384 . 25 1 1 A 32 32 LYS HA H 32 3.912 4.052 -0.140 1
1 393 . 25 1 1 A 32 32 LYS C C 32 172.827 179.778 -6.951 1
1 394 . 25 1 1 A 32 32 LYS CA C 32 61.591 59.718 1.873 1
1 395 . 25 1 1 A 32 32 LYS CB C 32 34.116 32.275 1.841 1
1 399 . 25 1 1 A 32 32 LYS N N 32 118.536 118.808 -0.272 1
1 400 . 25 1 1 A 33 33 GLU H H 33 7.790 8.072 -0.282 1
1 401 . 25 1 1 A 33 33 GLU HA H 33 4.049 3.901 0.148 1
1 406 . 25 1 1 A 33 33 GLU C C 33 174.327 178.761 -4.434 1
1 407 . 25 1 1 A 33 33 GLU CA C 33 60.634 58.953 1.681 1
1 408 . 25 1 1 A 33 33 GLU CB C 33 31.617 29.017 2.600 1
1 410 . 25 1 1 A 33 33 GLU N N 33 121.557 119.745 1.812 1
1 411 . 25 1 1 A 34 34 LEU H H 34 8.388 7.658 0.730 1
1 412 . 25 1 1 A 34 34 LEU HA H 34 3.844 3.800 0.044 1
1 422 . 25 1 1 A 34 34 LEU C C 34 174.927 178.264 -3.337 1
1 423 . 25 1 1 A 34 34 LEU CA C 34 59.173 58.117 1.056 1
1 424 . 25 1 1 A 34 34 LEU CB C 34 42.053 41.585 0.468 1
1 428 . 25 1 1 A 34 34 LEU N N 34 120.999 121.679 -0.680 1
1 429 . 25 1 1 A 35 35 LYS H H 35 7.817 7.630 0.187 1
1 430 . 25 1 1 A 35 35 LYS HA H 35 3.478 3.796 -0.318 1
1 439 . 25 1 1 A 35 35 LYS C C 35 174.627 177.895 -3.268 1
1 440 . 25 1 1 A 35 35 LYS CA C 35 62.312 58.973 3.339 1
1 441 . 25 1 1 A 35 35 LYS CB C 35 33.814 31.768 2.046 1
1 445 . 25 1 1 A 35 35 LYS N N 35 118.738 118.296 0.442 1
1 446 . 25 1 1 A 36 36 GLU H H 36 7.208 7.813 -0.605 1
1 447 . 25 1 1 A 36 36 GLU HA H 36 3.801 4.094 -0.293 1
1 452 . 25 1 1 A 36 36 GLU C C 36 175.227 178.345 -3.118 1
1 453 . 25 1 1 A 36 36 GLU CA C 36 61.015 58.815 2.200 1
1 454 . 25 1 1 A 36 36 GLU CB C 36 30.770 29.266 1.504 1
1 456 . 25 1 1 A 36 36 GLU N N 36 118.771 118.620 0.151 1
1 457 . 25 1 1 A 37 37 LEU H H 37 8.038 8.196 -0.158 1
1 458 . 25 1 1 A 37 37 LEU HA H 37 3.178 3.407 -0.229 1
1 468 . 25 1 1 A 37 37 LEU C C 37 172.927 178.128 -5.201 1
1 469 . 25 1 1 A 37 37 LEU CA C 37 60.915 58.126 2.789 1
1 470 . 25 1 1 A 37 37 LEU CB C 37 43.352 41.262 2.090 1
1 474 . 25 1 1 A 37 37 LEU N N 37 121.767 120.450 1.317 1
1 475 . 25 1 1 A 38 38 ILE H H 38 8.224 7.640 0.584 1
1 476 . 25 1 1 A 38 38 ILE HA H 38 3.234 3.559 -0.325 1
1 486 . 25 1 1 A 38 38 ILE C C 38 174.727 178.594 -3.867 1
1 487 . 25 1 1 A 38 38 ILE CA C 38 66.464 65.612 0.852 1
1 488 . 25 1 1 A 38 38 ILE CB C 38 38.799 37.910 0.889 1
1 492 . 25 1 1 A 38 38 ILE N N 38 119.417 120.107 -0.690 1
1 493 . 25 1 1 A 39 39 LYS H H 39 7.700 7.641 0.059 1
1 494 . 25 1 1 A 39 39 LYS HA H 39 3.894 4.264 -0.370 1
1 503 . 25 1 1 A 39 39 LYS C C 39 173.727 177.647 -3.920 1
1 504 . 25 1 1 A 39 39 LYS CA C 39 61.015 58.444 2.571 1
1 505 . 25 1 1 A 39 39 LYS CB C 39 34.100 31.983 2.117 1
1 509 . 25 1 1 A 39 39 LYS N N 39 117.277 119.672 -2.395 1
1 510 . 25 1 1 A 40 40 LYS H H 40 8.170 7.820 0.350 1
1 511 . 25 1 1 A 40 40 LYS HA H 40 4.226 4.297 -0.071 1
1 520 . 25 1 1 A 40 40 LYS C C 40 173.427 177.991 -4.564 1
1 521 . 25 1 1 A 40 40 LYS CA C 40 59.251 58.244 1.007 1
1 522 . 25 1 1 A 40 40 LYS CB C 40 35.528 33.256 2.272 1
1 526 . 25 1 1 A 40 40 LYS N N 40 115.146 118.451 -3.305 1
1 527 . 25 1 1 A 41 41 GLU H H 41 8.778 8.064 0.714 1
1 528 . 25 1 1 A 41 41 GLU HA H 41 4.629 4.574 0.055 1
1 533 . 25 1 1 A 41 41 GLU C C 41 175.527 176.060 -0.533 1
1 534 . 25 1 1 A 41 41 GLU CA C 41 57.177 56.904 0.273 1
1 535 . 25 1 1 A 41 41 GLU CB C 41 31.656 31.510 0.146 1
1 537 . 25 1 1 A 41 41 GLU N N 41 113.604 114.761 -1.157 1
1 538 . 25 1 1 A 42 42 LEU H H 42 7.610 7.591 0.019 1
1 539 . 25 1 1 A 42 42 LEU HA H 42 4.475 4.680 -0.205 1
1 549 . 25 1 1 A 42 42 LEU C C 42 177.227 174.984 2.243 1
1 550 . 25 1 1 A 42 42 LEU CA C 42 56.047 54.336 1.711 1
1 551 . 25 1 1 A 42 42 LEU CB C 42 45.748 44.048 1.700 1
1 555 . 25 1 1 A 42 42 LEU N N 42 118.997 121.829 -2.832 1
1 556 . 25 1 1 A 43 43 CYS H H 43 8.501 8.819 -0.318 1
1 557 . 25 1 1 A 43 43 CYS HA H 43 4.397 5.256 -0.859 1
1 560 . 25 1 1 A 43 43 CYS C C 43 177.327 174.425 2.902 1
1 561 . 25 1 1 A 43 43 CYS CA C 43 60.023 57.170 2.853 1
1 562 . 25 1 1 A 43 43 CYS CB C 43 27.915 31.108 -3.193 1
1 563 . 25 1 1 A 43 43 CYS N N 43 119.622 125.154 -5.532 1
1 564 . 25 1 1 A 44 44 LEU H H 44 8.200 8.800 -0.600 1
1 565 . 25 1 1 A 44 44 LEU HA H 44 3.979 4.551 -0.572 1
1 575 . 25 1 1 A 44 44 LEU C C 44 173.927 177.761 -3.834 1
1 576 . 25 1 1 A 44 44 LEU CA C 44 57.244 54.301 2.943 1
1 577 . 25 1 1 A 44 44 LEU CB C 44 43.622 43.822 -0.200 1
1 581 . 25 1 1 A 44 44 LEU N N 44 121.955 127.506 -5.551 1
1 582 . 25 1 1 A 45 45 GLY H H 45 8.244 8.062 0.182 1
1 583 . 25 1 1 A 45 45 GLY HA2 H 45 3.849 3.945 -0.096 1
1 584 . 25 1 1 A 45 45 GLY HA3 H 45 3.789 4.161 -0.372 1
1 585 . 25 1 1 A 45 45 GLY C C 45 178.027 174.840 3.187 1
1 586 . 25 1 1 A 45 45 GLY CA C 45 47.023 45.640 1.383 1
1 587 . 25 1 1 A 45 45 GLY N N 45 107.702 108.185 -0.483 1
1 588 . 25 1 1 A 46 46 GLU H H 46 8.286 8.124 0.162 1
1 589 . 25 1 1 A 46 46 GLU HA H 46 4.039 4.187 -0.148 1
1 594 . 25 1 1 A 46 46 GLU C C 46 175.127 175.541 -0.414 1
1 595 . 25 1 1 A 46 46 GLU CA C 46 59.176 56.284 2.892 1
1 596 . 25 1 1 A 46 46 GLU CB C 46 31.361 28.430 2.931 1
1 598 . 25 1 1 A 46 46 GLU N N 46 119.602 116.671 2.931 1
1 599 . 25 1 1 A 47 47 MET H H 47 8.048 7.525 0.523 1
1 600 . 25 1 1 A 47 47 MET HA H 47 4.229 4.580 -0.351 1
1 608 . 25 1 1 A 47 47 MET C C 47 175.727 174.127 1.600 1
1 609 . 25 1 1 A 47 47 MET CA C 47 58.183 54.153 4.030 1
1 610 . 25 1 1 A 47 47 MET CB C 47 34.087 35.228 -1.141 1
1 613 . 25 1 1 A 47 47 MET N N 47 119.617 117.716 1.901 1
1 614 . 25 1 1 A 48 48 LYS H H 48 8.221 8.480 -0.259 1
1 615 . 25 1 1 A 48 48 LYS HA H 48 4.217 4.258 -0.041 1
1 624 . 25 1 1 A 48 48 LYS C C 48 174.927 176.844 -1.917 1
1 625 . 25 1 1 A 48 48 LYS CA C 48 58.304 56.331 1.973 1
1 626 . 25 1 1 A 48 48 LYS CB C 48 34.548 32.048 2.500 1
1 630 . 25 1 1 A 48 48 LYS N N 48 120.987 120.692 0.295 1
1 631 . 25 1 1 A 49 49 GLU H H 49 8.346 8.623 -0.277 1
1 632 . 25 1 1 A 49 49 GLU HA H 49 3.922 4.541 -0.619 1
1 637 . 25 1 1 A 49 49 GLU C C 49 174.427 176.349 -1.922 1
1 638 . 25 1 1 A 49 49 GLU CA C 49 60.298 57.006 3.292 1
1 639 . 25 1 1 A 49 49 GLU CB C 49 31.065 31.446 -0.381 1
1 641 . 25 1 1 A 49 49 GLU N N 49 121.867 120.885 0.982 1
1 642 . 25 1 1 A 50 50 SER H H 50 8.348 8.240 0.108 1
1 643 . 25 1 1 A 50 50 SER HA H 50 4.172 4.547 -0.375 1
1 647 . 25 1 1 A 50 50 SER C C 50 176.027 174.050 1.977 1
1 648 . 25 1 1 A 50 50 SER CA C 50 62.548 57.745 4.803 1
1 649 . 25 1 1 A 50 50 SER CB C 50 64.840 61.173 3.667 1
1 650 . 25 1 1 A 50 50 SER N N 50 115.695 115.233 0.462 1
1 651 . 25 1 1 A 51 51 SER H H 51 7.980 8.396 -0.416 1
1 652 . 25 1 1 A 51 51 SER HA H 51 4.258 4.692 -0.434 1
1 655 . 25 1 1 A 51 51 SER C C 51 174.427 175.029 -0.602 1
1 656 . 25 1 1 A 51 51 SER CA C 51 62.828 59.493 3.335 1
1 657 . 25 1 1 A 51 51 SER CB C 51 64.749 65.711 -0.962 1
1 658 . 25 1 1 A 51 51 SER N N 51 117.126 118.647 -1.521 1
1 659 . 25 1 1 A 52 52 ILE H H 52 7.365 8.290 -0.925 1
1 660 . 25 1 1 A 52 52 ILE HA H 52 4.038 3.882 0.156 1
1 670 . 25 1 1 A 52 52 ILE C C 52 175.627 177.741 -2.114 1
1 671 . 25 1 1 A 52 52 ILE CA C 52 64.609 64.165 0.444 1
1 672 . 25 1 1 A 52 52 ILE CB C 52 39.272 37.662 1.610 1
1 676 . 25 1 1 A 52 52 ILE N N 52 117.484 120.334 -2.850 1
1 677 . 25 1 1 A 53 53 ASP H H 53 7.681 7.768 -0.087 1
1 678 . 25 1 1 A 53 53 ASP HA H 53 4.214 4.600 -0.386 1
1 681 . 25 1 1 A 53 53 ASP C C 53 174.027 177.879 -3.852 1
1 682 . 25 1 1 A 53 53 ASP CA C 53 59.799 56.232 3.567 1
1 683 . 25 1 1 A 53 53 ASP CB C 53 42.927 40.697 2.230 1
1 684 . 25 1 1 A 53 53 ASP N N 53 121.969 121.924 0.045 1
1 685 . 25 1 1 A 54 54 ASP H H 54 8.227 8.261 -0.034 1
1 686 . 25 1 1 A 54 54 ASP HA H 54 4.231 4.380 -0.149 1
1 689 . 25 1 1 A 54 54 ASP C C 54 172.927 178.932 -6.005 1
1 690 . 25 1 1 A 54 54 ASP CA C 54 59.507 57.752 1.755 1
1 691 . 25 1 1 A 54 54 ASP CB C 54 41.818 41.249 0.569 1
1 692 . 25 1 1 A 54 54 ASP N N 54 118.083 119.854 -1.771 1
1 693 . 25 1 1 A 55 55 LEU H H 55 7.650 8.237 -0.587 1
1 694 . 25 1 1 A 55 55 LEU HA H 55 4.016 4.107 -0.091 1
1 704 . 25 1 1 A 55 55 LEU C C 55 171.927 179.195 -7.268 1
1 705 . 25 1 1 A 55 55 LEU CA C 55 59.965 58.122 1.843 1
1 706 . 25 1 1 A 55 55 LEU CB C 55 43.370 41.433 1.937 1
1 710 . 25 1 1 A 55 55 LEU N N 55 121.634 120.502 1.132 1
1 711 . 25 1 1 A 56 56 MET H H 56 8.429 8.195 0.234 1
1 712 . 25 1 1 A 56 56 MET HA H 56 4.325 4.159 0.166 1
1 720 . 25 1 1 A 56 56 MET C C 56 172.527 178.565 -6.038 1
1 721 . 25 1 1 A 56 56 MET CA C 56 59.221 59.404 -0.183 1
1 722 . 25 1 1 A 56 56 MET CB C 56 34.106 32.941 1.165 1
1 725 . 25 1 1 A 56 56 MET N N 56 118.696 117.413 1.283 1
1 726 . 25 1 1 A 57 57 LYS H H 57 8.249 8.353 -0.104 1
1 727 . 25 1 1 A 57 57 LYS HA H 57 3.996 4.054 -0.058 1
1 736 . 25 1 1 A 57 57 LYS C C 57 172.527 178.688 -6.161 1
1 737 . 25 1 1 A 57 57 LYS CA C 57 60.872 59.119 1.753 1
1 738 . 25 1 1 A 57 57 LYS CB C 57 33.853 32.228 1.625 1
1 742 . 25 1 1 A 57 57 LYS N N 57 119.855 120.632 -0.777 1
1 743 . 25 1 1 A 58 58 SER H H 58 7.729 7.954 -0.225 1
1 744 . 25 1 1 A 58 58 SER HA H 58 4.125 4.374 -0.249 1
1 747 . 25 1 1 A 58 58 SER C C 58 176.527 175.787 0.740 1
1 748 . 25 1 1 A 58 58 SER CA C 58 63.029 61.572 1.457 1
1 749 . 25 1 1 A 58 58 SER CB C 58 64.686 63.219 1.467 1
1 750 . 25 1 1 A 58 58 SER N N 58 115.984 117.253 -1.269 1
1 751 . 25 1 1 A 59 59 LEU H H 59 7.288 7.757 -0.469 1
1 752 . 25 1 1 A 59 59 LEU HA H 59 4.058 4.161 -0.103 1
1 762 . 25 1 1 A 59 59 LEU C C 59 175.827 178.567 -2.740 1
1 763 . 25 1 1 A 59 59 LEU CA C 59 57.364 57.406 -0.042 1
1 764 . 25 1 1 A 59 59 LEU CB C 59 42.712 41.995 0.717 1
1 768 . 25 1 1 A 59 59 LEU N N 59 120.622 120.420 0.202 1
1 769 . 25 1 1 A 60 60 ASP H H 60 7.431 8.405 -0.974 1
1 770 . 25 1 1 A 60 60 ASP HA H 60 4.386 4.562 -0.176 1
1 773 . 25 1 1 A 60 60 ASP C C 60 175.927 177.458 -1.531 1
1 774 . 25 1 1 A 60 60 ASP CA C 60 57.012 56.301 0.711 1
1 775 . 25 1 1 A 60 60 ASP CB C 60 42.351 40.572 1.779 1
1 776 . 25 1 1 A 60 60 ASP N N 60 116.755 117.278 -0.523 1
1 777 . 25 1 1 A 61 61 LYS H H 61 7.243 7.581 -0.338 1
1 778 . 25 1 1 A 61 61 LYS HA H 61 4.223 3.920 0.303 1
1 787 . 25 1 1 A 61 61 LYS C C 61 176.527 178.789 -2.262 1
1 788 . 25 1 1 A 61 61 LYS CA C 61 57.287 59.709 -2.422 1
1 789 . 25 1 1 A 61 61 LYS CB C 61 34.683 32.474 2.209 1
1 793 . 25 1 1 A 61 61 LYS N N 61 119.913 120.404 -0.491 1
1 794 . 25 1 1 A 62 62 ASN H H 62 8.725 7.787 0.938 1
1 795 . 25 1 1 A 62 62 ASN HA H 62 4.462 4.778 -0.316 1
1 800 . 25 1 1 A 62 62 ASN C C 62 175.627 176.024 -0.397 1
1 801 . 25 1 1 A 62 62 ASN CA C 62 55.452 54.805 0.647 1
1 802 . 25 1 1 A 62 62 ASN CB C 62 39.336 39.094 0.242 1
1 803 . 25 1 1 A 62 62 ASN N N 62 120.247 116.708 3.539 1
1 805 . 25 1 1 A 63 63 SER H H 63 8.061 7.865 0.196 1
1 806 . 25 1 1 A 63 63 SER HA H 63 3.957 4.356 -0.399 1
1 809 . 25 1 1 A 63 63 SER C C 63 174.827 174.067 0.760 1
1 810 . 25 1 1 A 63 63 SER CA C 63 62.954 60.292 2.662 1
1 811 . 25 1 1 A 63 63 SER CB C 63 65.586 61.468 4.118 1
1 812 . 25 1 1 A 63 63 SER N N 63 113.249 113.931 -0.682 1
1 813 . 25 1 1 A 64 64 ASP H H 64 8.408 8.059 0.349 1
1 814 . 25 1 1 A 64 64 ASP HA H 64 4.573 4.718 -0.145 1
1 817 . 25 1 1 A 64 64 ASP C C 64 176.027 174.355 1.672 1
1 818 . 25 1 1 A 64 64 ASP CA C 64 55.789 53.862 1.927 1
1 819 . 25 1 1 A 64 64 ASP CB C 64 42.365 41.241 1.124 1
1 820 . 25 1 1 A 64 64 ASP N N 64 117.587 119.788 -2.201 1
1 821 . 25 1 1 A 65 65 GLN H H 65 7.779 7.722 0.057 1
1 822 . 25 1 1 A 65 65 GLN HA H 65 4.026 4.833 -0.807 1
1 829 . 25 1 1 A 65 65 GLN C C 65 176.827 174.825 2.002 1
1 830 . 25 1 1 A 65 65 GLN CA C 65 58.241 54.623 3.618 1
1 831 . 25 1 1 A 65 65 GLN CB C 65 31.309 32.120 -0.811 1
1 833 . 25 1 1 A 65 65 GLN N N 65 121.059 116.698 4.361 1
1 835 . 25 1 1 A 66 66 GLU H H 66 8.365 8.528 -0.163 1
1 836 . 25 1 1 A 66 66 GLU HA H 66 4.320 5.018 -0.698 1
1 841 . 25 1 1 A 66 66 GLU C C 66 176.227 176.427 -0.200 1
1 842 . 25 1 1 A 66 66 GLU CA C 66 58.238 56.390 1.848 1
1 843 . 25 1 1 A 66 66 GLU CB C 66 32.567 31.329 1.238 1
1 845 . 25 1 1 A 66 66 GLU N N 66 123.061 121.737 1.324 1
1 846 . 25 1 1 A 67 67 ILE H H 67 9.350 8.824 0.526 1
1 847 . 25 1 1 A 67 67 ILE HA H 67 4.543 4.821 -0.278 1
1 857 . 25 1 1 A 67 67 ILE C C 67 178.127 173.846 4.281 1
1 858 . 25 1 1 A 67 67 ILE CA C 67 61.173 59.098 2.075 1
1 859 . 25 1 1 A 67 67 ILE CB C 67 41.460 42.118 -0.658 1
1 863 . 25 1 1 A 67 67 ILE N N 67 121.809 118.005 3.804 1
1 864 . 25 1 1 A 68 68 ASP H H 68 8.140 8.835 -0.695 1
1 865 . 25 1 1 A 68 68 ASP HA H 68 5.408 5.052 0.356 1
1 868 . 25 1 1 A 68 68 ASP C C 68 176.127 177.155 -1.028 1
1 869 . 25 1 1 A 68 68 ASP CA C 68 53.471 53.307 0.164 1
1 870 . 25 1 1 A 68 68 ASP CB C 68 43.898 42.374 1.524 1
1 871 . 25 1 1 A 68 68 ASP N N 68 122.626 125.153 -2.527 1
1 872 . 25 1 1 A 69 69 PHE H H 69 9.486 9.204 0.282 1
1 873 . 25 1 1 A 69 69 PHE HA H 69 3.397 3.758 -0.361 1
1 880 . 25 1 1 A 69 69 PHE C C 69 174.727 177.310 -2.583 1
1 881 . 25 1 1 A 69 69 PHE CA C 69 63.764 61.560 2.204 1
1 882 . 25 1 1 A 69 69 PHE CB C 69 42.009 39.162 2.847 1
1 883 . 25 1 1 A 69 69 PHE N N 69 118.584 125.947 -7.363 1
1 884 . 25 1 1 A 70 70 LYS H H 70 7.510 7.884 -0.374 1
1 885 . 25 1 1 A 70 70 LYS HA H 70 3.633 4.270 -0.637 1
1 894 . 25 1 1 A 70 70 LYS C C 70 173.627 179.298 -5.671 1
1 895 . 25 1 1 A 70 70 LYS CA C 70 61.940 59.055 2.885 1
1 896 . 25 1 1 A 70 70 LYS CB C 70 33.189 32.548 0.641 1
1 900 . 25 1 1 A 70 70 LYS N N 70 117.327 118.403 -1.076 1
1 901 . 25 1 1 A 71 71 GLU H H 71 8.151 7.642 0.509 1
1 902 . 25 1 1 A 71 71 GLU HA H 71 3.930 4.128 -0.198 1
1 907 . 25 1 1 A 71 71 GLU C C 71 173.127 178.962 -5.835 1
1 908 . 25 1 1 A 71 71 GLU CA C 71 61.000 59.233 1.767 1
1 909 . 25 1 1 A 71 71 GLU CB C 71 31.639 29.650 1.989 1
1 911 . 25 1 1 A 71 71 GLU N N 71 120.925 121.263 -0.338 1
1 912 . 25 1 1 A 72 72 TYR H H 72 8.454 7.997 0.457 1
1 913 . 25 1 1 A 72 72 TYR HA H 72 4.047 4.287 -0.240 1
1 920 . 25 1 1 A 72 72 TYR C C 72 177.227 177.883 -0.656 1
1 921 . 25 1 1 A 72 72 TYR CA C 72 62.068 61.360 0.708 1
1 922 . 25 1 1 A 72 72 TYR CB C 72 39.522 38.369 1.153 1
1 923 . 25 1 1 A 72 72 TYR N N 72 123.271 122.639 0.632 1
1 924 . 25 1 1 A 73 73 SER H H 73 7.990 8.323 -0.333 1
1 925 . 25 1 1 A 73 73 SER HA H 73 3.245 3.908 -0.663 1
1 928 . 25 1 1 A 73 73 SER C C 73 174.327 176.649 -2.322 1
1 929 . 25 1 1 A 73 73 SER CA C 73 62.841 61.553 1.288 1
1 930 . 25 1 1 A 73 73 SER CB C 73 64.317 63.129 1.188 1
1 931 . 25 1 1 A 73 73 SER N N 73 115.432 114.740 0.692 1
1 932 . 25 1 1 A 74 74 VAL H H 74 8.112 8.353 -0.241 1
1 933 . 25 1 1 A 74 74 VAL HA H 74 3.375 3.773 -0.398 1
1 941 . 25 1 1 A 74 74 VAL C C 74 174.427 178.227 -3.800 1
1 942 . 25 1 1 A 74 74 VAL CA C 74 68.677 65.698 2.979 1
1 943 . 25 1 1 A 74 74 VAL CB C 74 33.164 31.555 1.609 1
1 946 . 25 1 1 A 74 74 VAL N N 74 123.807 118.807 5.000 1
1 947 . 25 1 1 A 75 75 PHE H H 75 8.149 8.322 -0.173 1
1 948 . 25 1 1 A 75 75 PHE HA H 75 3.878 4.211 -0.333 1
1 955 . 25 1 1 A 75 75 PHE C C 75 174.627 176.937 -2.310 1
1 956 . 25 1 1 A 75 75 PHE CA C 75 64.444 61.427 3.017 1
1 957 . 25 1 1 A 75 75 PHE CB C 75 40.823 39.293 1.530 1
1 958 . 25 1 1 A 75 75 PHE N N 75 122.351 123.970 -1.619 1
1 959 . 25 1 1 A 76 76 LEU H H 76 8.141 8.798 -0.657 1
1 960 . 25 1 1 A 76 76 LEU HA H 76 3.648 3.880 -0.232 1
1 970 . 25 1 1 A 76 76 LEU C C 76 173.327 179.407 -6.080 1
1 971 . 25 1 1 A 76 76 LEU CA C 76 59.810 58.027 1.783 1
1 972 . 25 1 1 A 76 76 LEU CB C 76 42.994 41.329 1.665 1
1 976 . 25 1 1 A 76 76 LEU N N 76 116.801 119.306 -2.505 1
1 977 . 25 1 1 A 77 77 THR H H 77 8.005 8.348 -0.343 1
1 978 . 25 1 1 A 77 77 THR HA H 77 3.561 3.814 -0.253 1
1 984 . 25 1 1 A 77 77 THR C C 77 176.427 175.524 0.903 1
1 985 . 25 1 1 A 77 77 THR CA C 77 69.876 66.471 3.405 1
1 986 . 25 1 1 A 77 77 THR CB C 77 71.163 68.627 2.536 1
1 988 . 25 1 1 A 77 77 THR N N 77 116.415 116.019 0.396 1
1 989 . 25 1 1 A 78 78 MET H H 78 8.059 8.622 -0.563 1
1 990 . 25 1 1 A 78 78 MET HA H 78 3.771 4.016 -0.245 1
1 995 . 25 1 1 A 78 78 MET C C 78 172.927 178.496 -5.569 1
1 996 . 25 1 1 A 78 78 MET CA C 78 60.751 58.246 2.505 1
1 997 . 25 1 1 A 78 78 MET CB C 78 33.255 32.065 1.190 1
1 999 . 25 1 1 A 78 78 MET N N 78 120.960 119.716 1.244 1
1 1000 . 25 1 1 A 79 79 LEU H H 79 8.007 8.261 -0.254 1
1 1001 . 25 1 1 A 79 79 LEU HA H 79 3.646 3.939 -0.293 1
1 1011 . 25 1 1 A 79 79 LEU C C 79 174.527 178.151 -3.624 1
1 1012 . 25 1 1 A 79 79 LEU CA C 79 59.756 57.813 1.943 1
1 1013 . 25 1 1 A 79 79 LEU CB C 79 42.961 41.457 1.504 1
1 1017 . 25 1 1 A 79 79 LEU N N 79 120.772 120.443 0.329 1
1 1018 . 25 1 1 A 80 80 CYS H H 80 8.268 8.340 -0.072 1
1 1019 . 25 1 1 A 80 80 CYS HA H 80 3.344 3.678 -0.334 1
1 1022 . 25 1 1 A 80 80 CYS C C 80 176.127 176.378 -0.251 1
1 1023 . 25 1 1 A 80 80 CYS CA C 80 64.083 62.484 1.599 1
1 1024 . 25 1 1 A 80 80 CYS CB C 80 28.199 26.639 1.560 1
1 1025 . 25 1 1 A 80 80 CYS N N 80 118.257 118.162 0.095 1
1 1026 . 25 1 1 A 81 81 MET H H 81 7.600 8.014 -0.414 1
1 1027 . 25 1 1 A 81 81 MET HA H 81 3.242 4.579 -1.337 1
1 1035 . 25 1 1 A 81 81 MET C C 81 176.227 176.614 -0.387 1
1 1036 . 25 1 1 A 81 81 MET CA C 81 60.091 54.972 5.119 1
1 1037 . 25 1 1 A 81 81 MET CB C 81 34.090 31.435 2.655 1
1 1040 . 25 1 1 A 81 81 MET N N 81 114.515 118.561 -4.046 1
1 1041 . 25 1 1 A 82 82 ALA H H 82 7.299 7.390 -0.091 1
1 1042 . 25 1 1 A 82 82 ALA HA H 82 4.121 4.212 -0.091 1
1 1046 . 25 1 1 A 82 82 ALA C C 82 173.827 177.490 -3.663 1
1 1047 . 25 1 1 A 82 82 ALA CA C 82 54.930 53.504 1.426 1
1 1048 . 25 1 1 A 82 82 ALA CB C 82 20.641 19.054 1.587 1
1 1049 . 25 1 1 A 82 82 ALA N N 82 118.977 121.523 -2.546 1
1 1050 . 25 1 1 A 83 83 TYR H H 83 7.623 7.605 0.018 1
1 1051 . 25 1 1 A 83 83 TYR HA H 83 4.771 4.809 -0.038 1
1 1058 . 25 1 1 A 83 83 TYR CA C 83 59.333 57.218 2.115 1
1 1059 . 25 1 1 A 83 83 TYR CB C 83 41.599 40.443 1.156 1
1 1060 . 25 1 1 A 83 83 TYR N N 83 113.311 113.045 0.266 1
1 1061 . 25 1 1 A 84 84 ASN HA H 84 4.534 4.781 -0.247 1
1 1064 . 25 1 1 A 84 84 ASN CA C 84 56.126 53.151 2.975 1
1 1065 . 25 1 1 A 84 84 ASN CB C 84 41.990 40.013 1.977 1
1 1066 . 25 1 1 A 85 85 ASP H H 85 8.681 8.510 0.171 1
1 1067 . 25 1 1 A 85 85 ASP HA H 85 4.086 4.921 -0.835 1
1 1070 . 25 1 1 A 85 85 ASP CA C 85 58.457 52.670 5.787 1
1 1071 . 25 1 1 A 85 85 ASP CB C 85 42.260 43.869 -1.609 1
1 1072 . 25 1 1 A 85 85 ASP N N 85 126.079 117.793 8.286 1
1 1073 . 25 1 1 A 86 86 PHE H H 86 8.672 8.689 -0.017 1
1 1074 . 25 1 1 A 86 86 PHE HA H 86 3.744 4.376 -0.632 1
1 1081 . 25 1 1 A 86 86 PHE C C 86 176.827 176.234 0.593 1
1 1082 . 25 1 1 A 86 86 PHE CA C 86 62.903 59.320 3.583 1
1 1083 . 25 1 1 A 86 86 PHE CB C 86 41.596 38.460 3.136 1
1 1084 . 25 1 1 A 86 86 PHE N N 86 121.950 118.988 2.962 1
1 1085 . 25 1 1 A 87 87 PHE H H 87 7.225 7.728 -0.503 1
1 1086 . 25 1 1 A 87 87 PHE HA H 87 3.836 4.608 -0.772 1
1 1093 . 25 1 1 A 87 87 PHE C C 87 176.927 175.841 1.086 1
1 1094 . 25 1 1 A 87 87 PHE CA C 87 60.422 59.753 0.669 1
1 1095 . 25 1 1 A 87 87 PHE CB C 87 41.081 39.022 2.059 1
1 1096 . 25 1 1 A 87 87 PHE N N 87 110.928 113.917 -2.989 1
1 1097 . 25 1 1 A 88 88 LEU H H 88 7.130 7.680 -0.550 1
1 1098 . 25 1 1 A 88 88 LEU HA H 88 4.169 4.440 -0.271 1
1 1108 . 25 1 1 A 88 88 LEU C C 88 175.027 177.148 -2.121 1
1 1109 . 25 1 1 A 88 88 LEU CA C 88 56.962 54.138 2.824 1
1 1110 . 25 1 1 A 88 88 LEU CB C 88 44.199 41.805 2.394 1
1 1114 . 25 1 1 A 88 88 LEU N N 88 119.732 119.546 0.186 1
1 1115 . 25 1 1 A 89 89 GLU H H 89 8.097 8.770 -0.673 1
1 1116 . 25 1 1 A 89 89 GLU HA H 89 4.087 4.536 -0.449 1
1 1121 . 25 1 1 A 89 89 GLU C C 89 176.427 177.573 -1.146 1
1 1122 . 25 1 1 A 89 89 GLU CA C 89 58.216 58.144 0.072 1
1 1123 . 25 1 1 A 89 89 GLU CB C 89 32.309 30.844 1.465 1
1 1125 . 25 1 1 A 89 89 GLU N N 89 121.626 120.720 0.906 1
1 1126 . 25 1 1 A 90 90 ASP H H 90 8.243 8.178 0.065 1
1 1127 . 25 1 1 A 90 90 ASP HA H 90 4.425 4.767 -0.342 1
1 1130 . 25 1 1 A 90 90 ASP C C 90 176.527 176.031 0.496 1
1 1131 . 25 1 1 A 90 90 ASP CA C 90 55.815 54.982 0.833 1
1 1132 . 25 1 1 A 90 90 ASP CB C 90 42.874 42.622 0.252 1
1 1133 . 25 1 1 A 90 90 ASP N N 90 121.280 114.961 6.319 1
1 1134 . 25 1 1 A 91 91 ASN H H 91 8.267 8.029 0.238 1
1 1135 . 25 1 1 A 91 91 ASN HA H 91 4.563 5.002 -0.439 1
1 1140 . 25 1 1 A 91 91 ASN C C 91 178.127 174.855 3.272 1
1 1141 . 25 1 1 A 91 91 ASN CA C 91 54.928 54.068 0.860 1
1 1142 . 25 1 1 A 91 91 ASN CB C 91 40.529 41.720 -1.191 1
1 1143 . 25 1 1 A 91 91 ASN N N 91 119.209 117.095 2.114 1
1 14 . 26 1 1 A 2 2 GLU H H 2 8.722 8.755 -0.033 1
1 15 . 26 1 1 A 2 2 GLU HA H 2 4.557 4.650 -0.093 1
1 20 . 26 1 1 A 2 2 GLU C C 2 175.827 176.363 -0.536 1
1 21 . 26 1 1 A 2 2 GLU CA C 2 58.063 55.309 2.754 1
1 22 . 26 1 1 A 2 2 GLU CB C 2 33.147 28.127 5.020 1
1 24 . 26 1 1 A 2 2 GLU N N 2 124.627 127.147 -2.520 1
1 25 . 26 1 1 A 3 3 THR H H 3 8.670 8.452 0.218 1
1 26 . 26 1 1 A 3 3 THR HA H 3 4.616 4.591 0.025 1
1 31 . 26 1 1 A 3 3 THR CA C 3 61.734 60.683 1.051 1
1 32 . 26 1 1 A 3 3 THR CB C 3 70.590 69.189 1.401 1
1 34 . 26 1 1 A 3 3 THR N N 3 116.274 117.862 -1.588 1
1 35 . 26 1 1 A 4 4 PRO HA H 4 4.161 4.304 -0.143 1
1 42 . 26 1 1 A 4 4 PRO C C 4 172.227 177.833 -5.606 1
1 43 . 26 1 1 A 4 4 PRO CA C 4 68.211 65.793 2.418 1
1 44 . 26 1 1 A 4 4 PRO CB C 4 33.796 31.647 2.149 1
1 47 . 26 1 1 A 5 5 LEU H H 5 9.207 7.272 1.935 1
1 48 . 26 1 1 A 5 5 LEU HA H 5 4.038 4.048 -0.010 1
1 58 . 26 1 1 A 5 5 LEU C C 5 174.327 178.347 -4.020 1
1 59 . 26 1 1 A 5 5 LEU CA C 5 59.483 57.367 2.116 1
1 60 . 26 1 1 A 5 5 LEU CB C 5 43.877 41.770 2.107 1
1 64 . 26 1 1 A 5 5 LEU N N 5 119.157 117.426 1.731 1
1 65 . 26 1 1 A 6 6 GLU H H 6 7.661 8.356 -0.695 1
1 66 . 26 1 1 A 6 6 GLU HA H 6 3.755 4.033 -0.278 1
1 71 . 26 1 1 A 6 6 GLU C C 6 172.727 178.287 -5.560 1
1 72 . 26 1 1 A 6 6 GLU CA C 6 61.953 59.296 2.657 1
1 73 . 26 1 1 A 6 6 GLU CB C 6 31.354 29.565 1.789 1
1 75 . 26 1 1 A 6 6 GLU N N 6 119.837 118.675 1.162 1
1 76 . 26 1 1 A 7 7 LYS H H 7 8.430 7.884 0.546 1
1 77 . 26 1 1 A 7 7 LYS HA H 7 3.921 4.148 -0.227 1
1 86 . 26 1 1 A 7 7 LYS C C 7 172.927 178.161 -5.234 1
1 87 . 26 1 1 A 7 7 LYS CA C 7 61.312 58.320 2.992 1
1 88 . 26 1 1 A 7 7 LYS CB C 7 33.861 32.222 1.639 1
1 92 . 26 1 1 A 7 7 LYS N N 7 119.023 117.947 1.076 1
1 93 . 26 1 1 A 8 8 ALA H H 8 8.079 7.934 0.145 1
1 94 . 26 1 1 A 8 8 ALA HA H 8 4.085 4.403 -0.318 1
1 98 . 26 1 1 A 8 8 ALA C C 8 173.027 178.989 -5.962 1
1 99 . 26 1 1 A 8 8 ALA CA C 8 56.967 53.786 3.181 1
1 100 . 26 1 1 A 8 8 ALA CB C 8 20.140 19.504 0.636 1
1 101 . 26 1 1 A 8 8 ALA N N 8 123.824 122.650 1.174 1
1 102 . 26 1 1 A 9 9 LEU H H 9 8.032 8.307 -0.275 1
1 103 . 26 1 1 A 9 9 LEU HA H 9 4.061 3.971 0.090 1
1 113 . 26 1 1 A 9 9 LEU C C 9 172.527 179.387 -6.860 1
1 114 . 26 1 1 A 9 9 LEU CA C 9 60.071 58.086 1.985 1
1 115 . 26 1 1 A 9 9 LEU CB C 9 42.714 41.700 1.014 1
1 119 . 26 1 1 A 9 9 LEU N N 9 118.643 119.314 -0.671 1
1 120 . 26 1 1 A 10 10 THR H H 10 8.686 7.816 0.870 1
1 121 . 26 1 1 A 10 10 THR HA H 10 3.798 3.893 -0.095 1
1 126 . 26 1 1 A 10 10 THR C C 10 175.127 176.375 -1.248 1
1 127 . 26 1 1 A 10 10 THR CA C 10 69.282 66.774 2.508 1
1 128 . 26 1 1 A 10 10 THR CB C 10 70.132 68.609 1.523 1
1 130 . 26 1 1 A 10 10 THR N N 10 117.087 116.033 1.054 1
1 131 . 26 1 1 A 11 11 THR H H 11 8.628 7.948 0.680 1
1 132 . 26 1 1 A 11 11 THR HA H 11 3.961 3.897 0.064 1
1 137 . 26 1 1 A 11 11 THR C C 11 174.427 175.823 -1.396 1
1 138 . 26 1 1 A 11 11 THR CA C 11 68.408 67.034 1.374 1
1 139 . 26 1 1 A 11 11 THR CB C 11 69.107 68.138 0.969 1
1 141 . 26 1 1 A 11 11 THR N N 11 120.770 117.197 3.573 1
1 142 . 26 1 1 A 12 12 MET H H 12 8.390 8.468 -0.078 1
1 143 . 26 1 1 A 12 12 MET HA H 12 3.956 4.360 -0.404 1
1 151 . 26 1 1 A 12 12 MET C C 12 175.127 178.169 -3.042 1
1 152 . 26 1 1 A 12 12 MET CA C 12 62.750 57.756 4.994 1
1 153 . 26 1 1 A 12 12 MET CB C 12 34.952 32.418 2.534 1
1 156 . 26 1 1 A 12 12 MET N N 12 124.388 119.911 4.477 1
1 157 . 26 1 1 A 13 13 VAL H H 13 8.104 7.983 0.121 1
1 158 . 26 1 1 A 13 13 VAL HA H 13 3.576 3.403 0.173 1
1 166 . 26 1 1 A 13 13 VAL C C 13 175.327 178.121 -2.794 1
1 167 . 26 1 1 A 13 13 VAL CA C 13 68.958 65.269 3.689 1
1 168 . 26 1 1 A 13 13 VAL CB C 13 33.703 31.300 2.403 1
1 171 . 26 1 1 A 13 13 VAL N N 13 121.753 115.039 6.714 1
1 172 . 26 1 1 A 14 14 THR H H 14 9.186 8.355 0.831 1
1 173 . 26 1 1 A 14 14 THR HA H 14 3.774 4.072 -0.298 1
1 178 . 26 1 1 A 14 14 THR C C 14 173.927 176.865 -2.938 1
1 179 . 26 1 1 A 14 14 THR CA C 14 67.955 66.226 1.729 1
1 180 . 26 1 1 A 14 14 THR CB C 14 70.504 68.262 2.242 1
1 182 . 26 1 1 A 14 14 THR N N 14 114.911 116.436 -1.525 1
1 183 . 26 1 1 A 15 15 THR H H 15 8.453 8.242 0.211 1
1 184 . 26 1 1 A 15 15 THR HA H 15 3.859 4.050 -0.191 1
1 190 . 26 1 1 A 15 15 THR C C 15 178.127 176.422 1.705 1
1 191 . 26 1 1 A 15 15 THR CA C 15 69.609 66.999 2.610 1
1 192 . 26 1 1 A 15 15 THR CB C 15 70.511 68.691 1.820 1
1 194 . 26 1 1 A 15 15 THR N N 15 118.791 117.664 1.127 1
1 195 . 26 1 1 A 16 16 PHE H H 16 7.207 7.985 -0.778 1
1 196 . 26 1 1 A 16 16 PHE HA H 16 3.572 4.016 -0.444 1
1 203 . 26 1 1 A 16 16 PHE C C 16 178.527 177.324 1.203 1
1 204 . 26 1 1 A 16 16 PHE CA C 16 64.090 61.320 2.770 1
1 205 . 26 1 1 A 16 16 PHE CB C 16 41.091 38.498 2.593 1
1 206 . 26 1 1 A 16 16 PHE N N 16 121.331 121.830 -0.499 1
1 207 . 26 1 1 A 17 17 HIS H H 17 8.393 8.403 -0.010 1
1 208 . 26 1 1 A 17 17 HIS HA H 17 5.329 4.525 0.804 1
1 211 . 26 1 1 A 17 17 HIS C C 17 174.627 177.564 -2.937 1
1 212 . 26 1 1 A 17 17 HIS CA C 17 56.667 59.804 -3.137 1
1 213 . 26 1 1 A 17 17 HIS CB C 17 32.397 29.596 2.801 1
1 214 . 26 1 1 A 17 17 HIS N N 17 117.858 117.857 0.001 1
1 215 . 26 1 1 A 18 18 LYS H H 18 7.767 8.376 -0.609 1
1 216 . 26 1 1 A 18 18 LYS HA H 18 3.553 4.035 -0.482 1
1 225 . 26 1 1 A 18 18 LYS C C 18 175.527 177.409 -1.882 1
1 226 . 26 1 1 A 18 18 LYS CA C 18 61.301 58.816 2.485 1
1 227 . 26 1 1 A 18 18 LYS CB C 18 33.523 32.160 1.363 1
1 231 . 26 1 1 A 18 18 LYS N N 18 120.691 120.735 -0.044 1
1 232 . 26 1 1 A 19 19 TYR H H 19 7.079 7.731 -0.652 1
1 233 . 26 1 1 A 19 19 TYR HA H 19 3.993 4.490 -0.497 1
1 240 . 26 1 1 A 19 19 TYR C C 19 174.227 177.805 -3.578 1
1 241 . 26 1 1 A 19 19 TYR CA C 19 61.287 59.450 1.837 1
1 242 . 26 1 1 A 19 19 TYR CB C 19 42.066 39.783 2.283 1
1 243 . 26 1 1 A 19 19 TYR N N 19 114.592 117.531 -2.939 1
1 244 . 26 1 1 A 20 20 SER H H 20 9.708 8.539 1.169 1
1 245 . 26 1 1 A 20 20 SER HA H 20 4.117 4.124 -0.007 1
1 248 . 26 1 1 A 20 20 SER C C 20 175.227 176.955 -1.728 1
1 249 . 26 1 1 A 20 20 SER CA C 20 60.135 61.373 -1.238 1
1 250 . 26 1 1 A 20 20 SER CB C 20 63.159 62.388 0.771 1
1 251 . 26 1 1 A 20 20 SER N N 20 121.764 115.511 6.253 1
1 252 . 26 1 1 A 21 21 GLY H H 21 8.146 8.453 -0.307 1
1 253 . 26 1 1 A 21 21 GLY HA2 H 21 3.956 3.785 0.171 1
1 254 . 26 1 1 A 21 21 GLY HA3 H 21 3.571 3.953 -0.382 1
1 255 . 26 1 1 A 21 21 GLY C C 21 177.927 175.685 2.242 1
1 256 . 26 1 1 A 21 21 GLY CA C 21 46.646 46.385 0.261 1
1 257 . 26 1 1 A 21 21 GLY N N 21 106.982 109.559 -2.577 1
1 258 . 26 1 1 A 22 22 ARG H H 22 7.007 7.798 -0.791 1
1 259 . 26 1 1 A 22 22 ARG HA H 22 3.815 3.964 -0.149 1
1 266 . 26 1 1 A 22 22 ARG C C 22 175.927 176.530 -0.603 1
1 267 . 26 1 1 A 22 22 ARG CA C 22 60.766 58.952 1.814 1
1 268 . 26 1 1 A 22 22 ARG CB C 22 32.302 30.513 1.789 1
1 271 . 26 1 1 A 22 22 ARG N N 22 118.055 120.463 -2.408 1
1 272 . 26 1 1 A 23 23 GLU H H 23 7.551 7.844 -0.293 1
1 273 . 26 1 1 A 23 23 GLU HA H 23 4.436 4.631 -0.195 1
1 278 . 26 1 1 A 23 23 GLU C C 23 177.727 175.512 2.215 1
1 279 . 26 1 1 A 23 23 GLU CA C 23 56.853 56.120 0.733 1
1 280 . 26 1 1 A 23 23 GLU CB C 23 33.988 31.070 2.918 1
1 282 . 26 1 1 A 23 23 GLU N N 23 114.631 117.053 -2.422 1
1 283 . 26 1 1 A 24 24 GLY H H 24 8.376 8.695 -0.319 1
1 284 . 26 1 1 A 24 24 GLY HA2 H 24 3.771 4.033 -0.262 1
1 285 . 26 1 1 A 24 24 GLY HA3 H 24 3.567 4.210 -0.643 1
1 286 . 26 1 1 A 24 24 GLY C C 24 177.127 174.043 3.084 1
1 287 . 26 1 1 A 24 24 GLY CA C 24 47.718 43.725 3.993 1
1 288 . 26 1 1 A 24 24 GLY N N 24 107.626 111.011 -3.385 1
1 289 . 26 1 1 A 25 25 SER H H 25 8.443 8.780 -0.337 1
1 290 . 26 1 1 A 25 25 SER HA H 25 4.314 4.172 0.142 1
1 293 . 26 1 1 A 25 25 SER C C 25 175.527 174.605 0.922 1
1 294 . 26 1 1 A 25 25 SER CA C 25 59.146 59.946 -0.800 1
1 295 . 26 1 1 A 25 25 SER CB C 25 65.573 61.235 4.338 1
1 296 . 26 1 1 A 25 25 SER N N 25 119.000 113.074 5.926 1
1 297 . 26 1 1 A 26 26 LYS H H 26 8.821 7.917 0.904 1
1 298 . 26 1 1 A 26 26 LYS HA H 26 4.307 4.107 0.200 1
1 307 . 26 1 1 A 26 26 LYS C C 26 176.027 178.186 -2.159 1
1 308 . 26 1 1 A 26 26 LYS CA C 26 59.180 58.808 0.372 1
1 309 . 26 1 1 A 26 26 LYS CB C 26 33.211 32.023 1.188 1
1 313 . 26 1 1 A 26 26 LYS N N 26 126.125 120.470 5.655 1
1 314 . 26 1 1 A 27 27 LEU H H 27 8.237 7.549 0.688 1
1 315 . 26 1 1 A 27 27 LEU HA H 27 4.534 4.529 0.005 1
1 325 . 26 1 1 A 27 27 LEU C C 27 175.627 176.843 -1.216 1
1 326 . 26 1 1 A 27 27 LEU CA C 27 56.384 55.792 0.592 1
1 327 . 26 1 1 A 27 27 LEU CB C 27 44.218 42.147 2.071 1
1 331 . 26 1 1 A 27 27 LEU N N 27 117.484 118.068 -0.584 1
1 332 . 26 1 1 A 28 28 THR H H 28 7.386 7.959 -0.573 1
1 333 . 26 1 1 A 28 28 THR HA H 28 5.517 5.631 -0.114 1
1 338 . 26 1 1 A 28 28 THR C C 28 180.227 173.339 6.888 1
1 339 . 26 1 1 A 28 28 THR CA C 28 61.014 60.148 0.866 1
1 340 . 26 1 1 A 28 28 THR CB C 28 75.348 72.154 3.194 1
1 342 . 26 1 1 A 28 28 THR N N 28 106.230 108.298 -2.068 1
1 343 . 26 1 1 A 29 29 LEU H H 29 8.721 8.825 -0.104 1
1 344 . 26 1 1 A 29 29 LEU HA H 29 4.713 4.626 0.087 1
1 354 . 26 1 1 A 29 29 LEU C C 29 176.927 175.321 1.606 1
1 355 . 26 1 1 A 29 29 LEU CA C 29 55.163 53.935 1.228 1
1 356 . 26 1 1 A 29 29 LEU CB C 29 46.059 42.947 3.112 1
1 360 . 26 1 1 A 29 29 LEU N N 29 116.728 115.741 0.987 1
1 361 . 26 1 1 A 30 30 SER H H 30 8.866 8.439 0.427 1
1 362 . 26 1 1 A 30 30 SER HA H 30 4.942 5.058 -0.116 1
1 365 . 26 1 1 A 30 30 SER C C 30 176.327 176.082 0.245 1
1 366 . 26 1 1 A 30 30 SER CA C 30 59.032 56.537 2.495 1
1 367 . 26 1 1 A 30 30 SER CB C 30 67.150 65.939 1.211 1
1 368 . 26 1 1 A 30 30 SER N N 30 117.110 114.483 2.627 1
1 369 . 26 1 1 A 31 31 ARG H H 31 8.393 8.659 -0.266 1
1 370 . 26 1 1 A 31 31 ARG HA H 31 3.695 3.901 -0.206 1
1 377 . 26 1 1 A 31 31 ARG C C 31 174.127 178.749 -4.622 1
1 378 . 26 1 1 A 31 31 ARG CA C 31 62.776 60.020 2.756 1
1 379 . 26 1 1 A 31 31 ARG CB C 31 31.601 29.841 1.760 1
1 382 . 26 1 1 A 31 31 ARG N N 31 121.109 121.671 -0.562 1
1 383 . 26 1 1 A 32 32 LYS H H 32 8.264 7.999 0.265 1
1 384 . 26 1 1 A 32 32 LYS HA H 32 3.912 3.969 -0.057 1
1 393 . 26 1 1 A 32 32 LYS C C 32 172.827 178.023 -5.196 1
1 394 . 26 1 1 A 32 32 LYS CA C 32 61.591 59.521 2.070 1
1 395 . 26 1 1 A 32 32 LYS CB C 32 34.116 32.027 2.089 1
1 399 . 26 1 1 A 32 32 LYS N N 32 118.536 119.734 -1.198 1
1 400 . 26 1 1 A 33 33 GLU H H 33 7.790 7.601 0.189 1
1 401 . 26 1 1 A 33 33 GLU HA H 33 4.049 4.176 -0.127 1
1 406 . 26 1 1 A 33 33 GLU C C 33 174.327 178.400 -4.073 1
1 407 . 26 1 1 A 33 33 GLU CA C 33 60.634 58.967 1.667 1
1 408 . 26 1 1 A 33 33 GLU CB C 33 31.617 29.235 2.382 1
1 410 . 26 1 1 A 33 33 GLU N N 33 121.557 119.053 2.504 1
1 411 . 26 1 1 A 34 34 LEU H H 34 8.388 8.126 0.262 1
1 412 . 26 1 1 A 34 34 LEU HA H 34 3.844 3.938 -0.094 1
1 422 . 26 1 1 A 34 34 LEU C C 34 174.927 178.398 -3.471 1
1 423 . 26 1 1 A 34 34 LEU CA C 34 59.173 58.309 0.864 1
1 424 . 26 1 1 A 34 34 LEU CB C 34 42.053 41.571 0.482 1
1 428 . 26 1 1 A 34 34 LEU N N 34 120.999 121.413 -0.414 1
1 429 . 26 1 1 A 35 35 LYS H H 35 7.817 8.005 -0.188 1
1 430 . 26 1 1 A 35 35 LYS HA H 35 3.478 3.687 -0.209 1
1 439 . 26 1 1 A 35 35 LYS C C 35 174.627 178.856 -4.229 1
1 440 . 26 1 1 A 35 35 LYS CA C 35 62.312 59.703 2.609 1
1 441 . 26 1 1 A 35 35 LYS CB C 35 33.814 32.209 1.605 1
1 445 . 26 1 1 A 35 35 LYS N N 35 118.738 118.858 -0.120 1
1 446 . 26 1 1 A 36 36 GLU H H 36 7.208 7.801 -0.593 1
1 447 . 26 1 1 A 36 36 GLU HA H 36 3.801 4.174 -0.373 1
1 452 . 26 1 1 A 36 36 GLU C C 36 175.227 179.189 -3.962 1
1 453 . 26 1 1 A 36 36 GLU CA C 36 61.015 58.962 2.053 1
1 454 . 26 1 1 A 36 36 GLU CB C 36 30.770 29.337 1.433 1
1 456 . 26 1 1 A 36 36 GLU N N 36 118.771 118.626 0.145 1
1 457 . 26 1 1 A 37 37 LEU H H 37 8.038 8.154 -0.116 1
1 458 . 26 1 1 A 37 37 LEU HA H 37 3.178 3.750 -0.572 1
1 468 . 26 1 1 A 37 37 LEU C C 37 172.927 178.785 -5.858 1
1 469 . 26 1 1 A 37 37 LEU CA C 37 60.915 57.984 2.931 1
1 470 . 26 1 1 A 37 37 LEU CB C 37 43.352 41.194 2.158 1
1 474 . 26 1 1 A 37 37 LEU N N 37 121.767 119.901 1.866 1
1 475 . 26 1 1 A 38 38 ILE H H 38 8.224 7.715 0.509 1
1 476 . 26 1 1 A 38 38 ILE HA H 38 3.234 3.826 -0.592 1
1 486 . 26 1 1 A 38 38 ILE C C 38 174.727 177.179 -2.452 1
1 487 . 26 1 1 A 38 38 ILE CA C 38 66.464 64.286 2.178 1
1 488 . 26 1 1 A 38 38 ILE CB C 38 38.799 37.635 1.164 1
1 492 . 26 1 1 A 38 38 ILE N N 38 119.417 120.626 -1.209 1
1 493 . 26 1 1 A 39 39 LYS H H 39 7.700 7.712 -0.012 1
1 494 . 26 1 1 A 39 39 LYS HA H 39 3.894 4.447 -0.553 1
1 503 . 26 1 1 A 39 39 LYS C C 39 173.727 178.109 -4.382 1
1 504 . 26 1 1 A 39 39 LYS CA C 39 61.015 56.270 4.745 1
1 505 . 26 1 1 A 39 39 LYS CB C 39 34.100 33.264 0.836 1
1 509 . 26 1 1 A 39 39 LYS N N 39 117.277 120.326 -3.049 1
1 510 . 26 1 1 A 40 40 LYS H H 40 8.170 8.199 -0.029 1
1 511 . 26 1 1 A 40 40 LYS HA H 40 4.226 4.183 0.043 1
1 520 . 26 1 1 A 40 40 LYS C C 40 173.427 177.947 -4.520 1
1 521 . 26 1 1 A 40 40 LYS CA C 40 59.251 59.009 0.242 1
1 522 . 26 1 1 A 40 40 LYS CB C 40 35.528 32.929 2.599 1
1 526 . 26 1 1 A 40 40 LYS N N 40 115.146 119.585 -4.439 1
1 527 . 26 1 1 A 41 41 GLU H H 41 8.778 8.330 0.448 1
1 528 . 26 1 1 A 41 41 GLU HA H 41 4.629 4.615 0.014 1
1 533 . 26 1 1 A 41 41 GLU C C 41 175.527 175.861 -0.334 1
1 534 . 26 1 1 A 41 41 GLU CA C 41 57.177 55.911 1.266 1
1 535 . 26 1 1 A 41 41 GLU CB C 41 31.656 32.000 -0.344 1
1 537 . 26 1 1 A 41 41 GLU N N 41 113.604 115.350 -1.746 1
1 538 . 26 1 1 A 42 42 LEU H H 42 7.610 7.452 0.158 1
1 539 . 26 1 1 A 42 42 LEU HA H 42 4.475 4.809 -0.334 1
1 549 . 26 1 1 A 42 42 LEU C C 42 177.227 176.095 1.132 1
1 550 . 26 1 1 A 42 42 LEU CA C 42 56.047 53.598 2.449 1
1 551 . 26 1 1 A 42 42 LEU CB C 42 45.748 44.689 1.059 1
1 555 . 26 1 1 A 42 42 LEU N N 42 118.997 121.813 -2.816 1
1 556 . 26 1 1 A 43 43 CYS H H 43 8.501 8.489 0.012 1
1 557 . 26 1 1 A 43 43 CYS HA H 43 4.397 5.026 -0.629 1
1 560 . 26 1 1 A 43 43 CYS C C 43 177.327 173.124 4.203 1
1 561 . 26 1 1 A 43 43 CYS CA C 43 60.023 58.941 1.082 1
1 562 . 26 1 1 A 43 43 CYS CB C 43 27.915 30.743 -2.828 1
1 563 . 26 1 1 A 43 43 CYS N N 43 119.622 119.382 0.240 1
1 564 . 26 1 1 A 44 44 LEU H H 44 8.200 8.566 -0.366 1
1 565 . 26 1 1 A 44 44 LEU HA H 44 3.979 4.627 -0.648 1
1 575 . 26 1 1 A 44 44 LEU C C 44 173.927 176.600 -2.673 1
1 576 . 26 1 1 A 44 44 LEU CA C 44 57.244 53.769 3.475 1
1 577 . 26 1 1 A 44 44 LEU CB C 44 43.622 43.343 0.279 1
1 581 . 26 1 1 A 44 44 LEU N N 44 121.955 123.943 -1.988 1
1 582 . 26 1 1 A 45 45 GLY H H 45 8.244 7.846 0.398 1
1 583 . 26 1 1 A 45 45 GLY HA2 H 45 3.849 3.876 -0.027 1
1 584 . 26 1 1 A 45 45 GLY HA3 H 45 3.789 4.045 -0.256 1
1 585 . 26 1 1 A 45 45 GLY C C 45 178.027 174.032 3.995 1
1 586 . 26 1 1 A 45 45 GLY CA C 45 47.023 44.809 2.214 1
1 587 . 26 1 1 A 45 45 GLY N N 45 107.702 108.795 -1.093 1
1 588 . 26 1 1 A 46 46 GLU H H 46 8.286 8.505 -0.219 1
1 589 . 26 1 1 A 46 46 GLU HA H 46 4.039 4.333 -0.294 1
1 594 . 26 1 1 A 46 46 GLU C C 46 175.127 176.229 -1.102 1
1 595 . 26 1 1 A 46 46 GLU CA C 46 59.176 56.268 2.908 1
1 596 . 26 1 1 A 46 46 GLU CB C 46 31.361 28.569 2.792 1
1 598 . 26 1 1 A 46 46 GLU N N 46 119.602 121.641 -2.039 1
1 599 . 26 1 1 A 47 47 MET H H 47 8.048 8.140 -0.092 1
1 600 . 26 1 1 A 47 47 MET HA H 47 4.229 4.385 -0.156 1
1 608 . 26 1 1 A 47 47 MET C C 47 175.727 175.511 0.216 1
1 609 . 26 1 1 A 47 47 MET CA C 47 58.183 57.059 1.124 1
1 610 . 26 1 1 A 47 47 MET CB C 47 34.087 32.089 1.998 1
1 613 . 26 1 1 A 47 47 MET N N 47 119.617 122.275 -2.658 1
1 614 . 26 1 1 A 48 48 LYS H H 48 8.221 7.484 0.737 1
1 615 . 26 1 1 A 48 48 LYS HA H 48 4.217 4.668 -0.451 1
1 624 . 26 1 1 A 48 48 LYS C C 48 174.927 175.836 -0.909 1
1 625 . 26 1 1 A 48 48 LYS CA C 48 58.304 54.637 3.667 1
1 626 . 26 1 1 A 48 48 LYS CB C 48 34.548 35.433 -0.885 1
1 630 . 26 1 1 A 48 48 LYS N N 48 120.987 118.891 2.096 1
1 631 . 26 1 1 A 49 49 GLU H H 49 8.346 8.667 -0.321 1
1 632 . 26 1 1 A 49 49 GLU HA H 49 3.922 4.360 -0.438 1
1 637 . 26 1 1 A 49 49 GLU C C 49 174.427 176.379 -1.952 1
1 638 . 26 1 1 A 49 49 GLU CA C 49 60.298 58.167 2.131 1
1 639 . 26 1 1 A 49 49 GLU CB C 49 31.065 30.134 0.931 1
1 641 . 26 1 1 A 49 49 GLU N N 49 121.867 120.860 1.007 1
1 642 . 26 1 1 A 50 50 SER H H 50 8.348 7.910 0.438 1
1 643 . 26 1 1 A 50 50 SER HA H 50 4.172 4.101 0.071 1
1 647 . 26 1 1 A 50 50 SER C C 50 176.027 175.162 0.865 1
1 648 . 26 1 1 A 50 50 SER CA C 50 62.548 58.825 3.723 1
1 649 . 26 1 1 A 50 50 SER CB C 50 64.840 63.220 1.620 1
1 650 . 26 1 1 A 50 50 SER N N 50 115.695 115.761 -0.066 1
1 651 . 26 1 1 A 51 51 SER H H 51 7.980 8.820 -0.840 1
1 652 . 26 1 1 A 51 51 SER HA H 51 4.258 4.054 0.204 1
1 655 . 26 1 1 A 51 51 SER C C 51 174.427 174.682 -0.255 1
1 656 . 26 1 1 A 51 51 SER CA C 51 62.828 61.170 1.658 1
1 657 . 26 1 1 A 51 51 SER CB C 51 64.749 60.987 3.762 1
1 658 . 26 1 1 A 51 51 SER N N 51 117.126 117.179 -0.053 1
1 659 . 26 1 1 A 52 52 ILE H H 52 7.365 8.125 -0.760 1
1 660 . 26 1 1 A 52 52 ILE HA H 52 4.038 3.857 0.181 1
1 670 . 26 1 1 A 52 52 ILE C C 52 175.627 177.220 -1.593 1
1 671 . 26 1 1 A 52 52 ILE CA C 52 64.609 63.947 0.662 1
1 672 . 26 1 1 A 52 52 ILE CB C 52 39.272 37.654 1.618 1
1 676 . 26 1 1 A 52 52 ILE N N 52 117.484 121.242 -3.758 1
1 677 . 26 1 1 A 53 53 ASP H H 53 7.681 8.371 -0.690 1
1 678 . 26 1 1 A 53 53 ASP HA H 53 4.214 4.266 -0.052 1
1 681 . 26 1 1 A 53 53 ASP C C 53 174.027 177.939 -3.912 1
1 682 . 26 1 1 A 53 53 ASP CA C 53 59.799 57.626 2.173 1
1 683 . 26 1 1 A 53 53 ASP CB C 53 42.927 41.724 1.203 1
1 684 . 26 1 1 A 53 53 ASP N N 53 121.969 122.051 -0.082 1
1 685 . 26 1 1 A 54 54 ASP H H 54 8.227 8.086 0.141 1
1 686 . 26 1 1 A 54 54 ASP HA H 54 4.231 4.370 -0.139 1
1 689 . 26 1 1 A 54 54 ASP C C 54 172.927 178.870 -5.943 1
1 690 . 26 1 1 A 54 54 ASP CA C 54 59.507 57.638 1.869 1
1 691 . 26 1 1 A 54 54 ASP CB C 54 41.818 41.319 0.499 1
1 692 . 26 1 1 A 54 54 ASP N N 54 118.083 119.419 -1.336 1
1 693 . 26 1 1 A 55 55 LEU H H 55 7.650 8.189 -0.539 1
1 694 . 26 1 1 A 55 55 LEU HA H 55 4.016 4.057 -0.041 1
1 704 . 26 1 1 A 55 55 LEU C C 55 171.927 179.017 -7.090 1
1 705 . 26 1 1 A 55 55 LEU CA C 55 59.965 58.083 1.882 1
1 706 . 26 1 1 A 55 55 LEU CB C 55 43.370 41.336 2.034 1
1 710 . 26 1 1 A 55 55 LEU N N 55 121.634 120.381 1.253 1
1 711 . 26 1 1 A 56 56 MET H H 56 8.429 8.642 -0.213 1
1 712 . 26 1 1 A 56 56 MET HA H 56 4.325 4.250 0.075 1
1 720 . 26 1 1 A 56 56 MET C C 56 172.527 178.947 -6.420 1
1 721 . 26 1 1 A 56 56 MET CA C 56 59.221 58.769 0.452 1
1 722 . 26 1 1 A 56 56 MET CB C 56 34.106 32.664 1.442 1
1 725 . 26 1 1 A 56 56 MET N N 56 118.696 116.894 1.802 1
1 726 . 26 1 1 A 57 57 LYS H H 57 8.249 8.334 -0.085 1
1 727 . 26 1 1 A 57 57 LYS HA H 57 3.996 4.225 -0.229 1
1 736 . 26 1 1 A 57 57 LYS C C 57 172.527 177.614 -5.087 1
1 737 . 26 1 1 A 57 57 LYS CA C 57 60.872 58.727 2.145 1
1 738 . 26 1 1 A 57 57 LYS CB C 57 33.853 32.423 1.430 1
1 742 . 26 1 1 A 57 57 LYS N N 57 119.855 119.577 0.278 1
1 743 . 26 1 1 A 58 58 SER H H 58 7.729 8.201 -0.472 1
1 744 . 26 1 1 A 58 58 SER HA H 58 4.125 4.384 -0.259 1
1 747 . 26 1 1 A 58 58 SER C C 58 176.527 176.518 0.009 1
1 748 . 26 1 1 A 58 58 SER CA C 58 63.029 61.282 1.747 1
1 749 . 26 1 1 A 58 58 SER CB C 58 64.686 63.495 1.191 1
1 750 . 26 1 1 A 58 58 SER N N 58 115.984 116.610 -0.626 1
1 751 . 26 1 1 A 59 59 LEU H H 59 7.288 8.334 -1.046 1
1 752 . 26 1 1 A 59 59 LEU HA H 59 4.058 4.012 0.046 1
1 762 . 26 1 1 A 59 59 LEU C C 59 175.827 178.773 -2.946 1
1 763 . 26 1 1 A 59 59 LEU CA C 59 57.364 57.927 -0.563 1
1 764 . 26 1 1 A 59 59 LEU CB C 59 42.712 41.013 1.699 1
1 768 . 26 1 1 A 59 59 LEU N N 59 120.622 122.169 -1.547 1
1 769 . 26 1 1 A 60 60 ASP H H 60 7.431 8.144 -0.713 1
1 770 . 26 1 1 A 60 60 ASP HA H 60 4.386 4.425 -0.039 1
1 773 . 26 1 1 A 60 60 ASP C C 60 175.927 179.137 -3.210 1
1 774 . 26 1 1 A 60 60 ASP CA C 60 57.012 57.163 -0.151 1
1 775 . 26 1 1 A 60 60 ASP CB C 60 42.351 40.292 2.059 1
1 776 . 26 1 1 A 60 60 ASP N N 60 116.755 120.443 -3.688 1
1 777 . 26 1 1 A 61 61 LYS H H 61 7.243 7.658 -0.415 1
1 778 . 26 1 1 A 61 61 LYS HA H 61 4.223 4.077 0.146 1
1 787 . 26 1 1 A 61 61 LYS C C 61 176.527 177.376 -0.849 1
1 788 . 26 1 1 A 61 61 LYS CA C 61 57.287 58.478 -1.191 1
1 789 . 26 1 1 A 61 61 LYS CB C 61 34.683 32.509 2.174 1
1 793 . 26 1 1 A 61 61 LYS N N 61 119.913 118.385 1.528 1
1 794 . 26 1 1 A 62 62 ASN H H 62 8.725 7.784 0.941 1
1 795 . 26 1 1 A 62 62 ASN HA H 62 4.462 5.060 -0.598 1
1 800 . 26 1 1 A 62 62 ASN C C 62 175.627 175.627 0.000 1
1 801 . 26 1 1 A 62 62 ASN CA C 62 55.452 52.042 3.410 1
1 802 . 26 1 1 A 62 62 ASN CB C 62 39.336 38.420 0.916 1
1 803 . 26 1 1 A 62 62 ASN N N 62 120.247 114.519 5.728 1
1 805 . 26 1 1 A 63 63 SER H H 63 8.061 8.517 -0.456 1
1 806 . 26 1 1 A 63 63 SER HA H 63 3.957 4.545 -0.588 1
1 809 . 26 1 1 A 63 63 SER C C 63 174.827 174.548 0.279 1
1 810 . 26 1 1 A 63 63 SER CA C 63 62.954 60.405 2.549 1
1 811 . 26 1 1 A 63 63 SER CB C 63 65.586 62.908 2.678 1
1 812 . 26 1 1 A 63 63 SER N N 63 113.249 115.824 -2.575 1
1 813 . 26 1 1 A 64 64 ASP H H 64 8.408 7.969 0.439 1
1 814 . 26 1 1 A 64 64 ASP HA H 64 4.573 4.740 -0.167 1
1 817 . 26 1 1 A 64 64 ASP C C 64 176.027 175.971 0.056 1
1 818 . 26 1 1 A 64 64 ASP CA C 64 55.789 53.848 1.941 1
1 819 . 26 1 1 A 64 64 ASP CB C 64 42.365 42.179 0.186 1
1 820 . 26 1 1 A 64 64 ASP N N 64 117.587 119.345 -1.758 1
1 821 . 26 1 1 A 65 65 GLN H H 65 7.779 7.284 0.495 1
1 822 . 26 1 1 A 65 65 GLN HA H 65 4.026 4.403 -0.377 1
1 829 . 26 1 1 A 65 65 GLN C C 65 176.827 175.712 1.115 1
1 830 . 26 1 1 A 65 65 GLN CA C 65 58.241 56.530 1.711 1
1 831 . 26 1 1 A 65 65 GLN CB C 65 31.309 29.345 1.964 1
1 833 . 26 1 1 A 65 65 GLN N N 65 121.059 119.828 1.231 1
1 835 . 26 1 1 A 66 66 GLU H H 66 8.365 8.749 -0.384 1
1 836 . 26 1 1 A 66 66 GLU HA H 66 4.320 4.875 -0.555 1
1 841 . 26 1 1 A 66 66 GLU C C 66 176.227 176.494 -0.267 1
1 842 . 26 1 1 A 66 66 GLU CA C 66 58.238 57.058 1.180 1
1 843 . 26 1 1 A 66 66 GLU CB C 66 32.567 30.695 1.872 1
1 845 . 26 1 1 A 66 66 GLU N N 66 123.061 120.957 2.104 1
1 846 . 26 1 1 A 67 67 ILE H H 67 9.350 9.055 0.295 1
1 847 . 26 1 1 A 67 67 ILE HA H 67 4.543 4.821 -0.278 1
1 857 . 26 1 1 A 67 67 ILE C C 67 178.127 174.649 3.478 1
1 858 . 26 1 1 A 67 67 ILE CA C 67 61.173 58.953 2.220 1
1 859 . 26 1 1 A 67 67 ILE CB C 67 41.460 42.143 -0.683 1
1 863 . 26 1 1 A 67 67 ILE N N 67 121.809 118.367 3.442 1
1 864 . 26 1 1 A 68 68 ASP H H 68 8.140 8.776 -0.636 1
1 865 . 26 1 1 A 68 68 ASP HA H 68 5.408 5.162 0.246 1
1 868 . 26 1 1 A 68 68 ASP C C 68 176.127 176.469 -0.342 1
1 869 . 26 1 1 A 68 68 ASP CA C 68 53.471 52.582 0.889 1
1 870 . 26 1 1 A 68 68 ASP CB C 68 43.898 41.805 2.093 1
1 871 . 26 1 1 A 68 68 ASP N N 68 122.626 123.269 -0.643 1
1 872 . 26 1 1 A 69 69 PHE H H 69 9.486 9.055 0.431 1
1 873 . 26 1 1 A 69 69 PHE HA H 69 3.397 3.592 -0.195 1
1 880 . 26 1 1 A 69 69 PHE C C 69 174.727 177.519 -2.792 1
1 881 . 26 1 1 A 69 69 PHE CA C 69 63.764 61.139 2.625 1
1 882 . 26 1 1 A 69 69 PHE CB C 69 42.009 38.802 3.207 1
1 883 . 26 1 1 A 69 69 PHE N N 69 118.584 120.635 -2.051 1
1 884 . 26 1 1 A 70 70 LYS H H 70 7.510 8.292 -0.782 1
1 885 . 26 1 1 A 70 70 LYS HA H 70 3.633 3.964 -0.331 1
1 894 . 26 1 1 A 70 70 LYS C C 70 173.627 179.423 -5.796 1
1 895 . 26 1 1 A 70 70 LYS CA C 70 61.940 60.038 1.902 1
1 896 . 26 1 1 A 70 70 LYS CB C 70 33.189 32.739 0.450 1
1 900 . 26 1 1 A 70 70 LYS N N 70 117.327 118.825 -1.498 1
1 901 . 26 1 1 A 71 71 GLU H H 71 8.151 8.169 -0.018 1
1 902 . 26 1 1 A 71 71 GLU HA H 71 3.930 4.149 -0.219 1
1 907 . 26 1 1 A 71 71 GLU C C 71 173.127 178.541 -5.414 1
1 908 . 26 1 1 A 71 71 GLU CA C 71 61.000 58.953 2.047 1
1 909 . 26 1 1 A 71 71 GLU CB C 71 31.639 29.586 2.053 1
1 911 . 26 1 1 A 71 71 GLU N N 71 120.925 118.973 1.952 1
1 912 . 26 1 1 A 72 72 TYR H H 72 8.454 8.338 0.116 1
1 913 . 26 1 1 A 72 72 TYR HA H 72 4.047 4.195 -0.148 1
1 920 . 26 1 1 A 72 72 TYR C C 72 177.227 177.693 -0.466 1
1 921 . 26 1 1 A 72 72 TYR CA C 72 62.068 61.184 0.884 1
1 922 . 26 1 1 A 72 72 TYR CB C 72 39.522 38.817 0.705 1
1 923 . 26 1 1 A 72 72 TYR N N 72 123.271 123.555 -0.284 1
1 924 . 26 1 1 A 73 73 SER H H 73 7.990 8.412 -0.422 1
1 925 . 26 1 1 A 73 73 SER HA H 73 3.245 3.951 -0.706 1
1 928 . 26 1 1 A 73 73 SER C C 73 174.327 176.364 -2.037 1
1 929 . 26 1 1 A 73 73 SER CA C 73 62.841 61.303 1.538 1
1 930 . 26 1 1 A 73 73 SER CB C 73 64.317 61.971 2.346 1
1 931 . 26 1 1 A 73 73 SER N N 73 115.432 114.196 1.236 1
1 932 . 26 1 1 A 74 74 VAL H H 74 8.112 8.143 -0.031 1
1 933 . 26 1 1 A 74 74 VAL HA H 74 3.375 3.744 -0.369 1
1 941 . 26 1 1 A 74 74 VAL C C 74 174.427 178.182 -3.755 1
1 942 . 26 1 1 A 74 74 VAL CA C 74 68.677 65.706 2.971 1
1 943 . 26 1 1 A 74 74 VAL CB C 74 33.164 31.364 1.800 1
1 946 . 26 1 1 A 74 74 VAL N N 74 123.807 118.980 4.827 1
1 947 . 26 1 1 A 75 75 PHE H H 75 8.149 7.777 0.372 1
1 948 . 26 1 1 A 75 75 PHE HA H 75 3.878 4.184 -0.306 1
1 955 . 26 1 1 A 75 75 PHE C C 75 174.627 176.962 -2.335 1
1 956 . 26 1 1 A 75 75 PHE CA C 75 64.444 61.312 3.132 1
1 957 . 26 1 1 A 75 75 PHE CB C 75 40.823 39.063 1.760 1
1 958 . 26 1 1 A 75 75 PHE N N 75 122.351 123.958 -1.607 1
1 959 . 26 1 1 A 76 76 LEU H H 76 8.141 8.394 -0.253 1
1 960 . 26 1 1 A 76 76 LEU HA H 76 3.648 3.776 -0.128 1
1 970 . 26 1 1 A 76 76 LEU C C 76 173.327 179.005 -5.678 1
1 971 . 26 1 1 A 76 76 LEU CA C 76 59.810 58.026 1.784 1
1 972 . 26 1 1 A 76 76 LEU CB C 76 42.994 41.436 1.558 1
1 976 . 26 1 1 A 76 76 LEU N N 76 116.801 119.529 -2.728 1
1 977 . 26 1 1 A 77 77 THR H H 77 8.005 7.881 0.124 1
1 978 . 26 1 1 A 77 77 THR HA H 77 3.561 3.747 -0.186 1
1 984 . 26 1 1 A 77 77 THR C C 77 176.427 176.212 0.215 1
1 985 . 26 1 1 A 77 77 THR CA C 77 69.876 66.420 3.456 1
1 986 . 26 1 1 A 77 77 THR CB C 77 71.163 68.471 2.692 1
1 988 . 26 1 1 A 77 77 THR N N 77 116.415 115.307 1.108 1
1 989 . 26 1 1 A 78 78 MET H H 78 8.059 8.450 -0.391 1
1 990 . 26 1 1 A 78 78 MET HA H 78 3.771 4.099 -0.328 1
1 995 . 26 1 1 A 78 78 MET C C 78 172.927 178.289 -5.362 1
1 996 . 26 1 1 A 78 78 MET CA C 78 60.751 57.859 2.892 1
1 997 . 26 1 1 A 78 78 MET CB C 78 33.255 32.209 1.046 1
1 999 . 26 1 1 A 78 78 MET N N 78 120.960 119.835 1.125 1
1 1000 . 26 1 1 A 79 79 LEU H H 79 8.007 8.270 -0.263 1
1 1001 . 26 1 1 A 79 79 LEU HA H 79 3.646 3.990 -0.344 1
1 1011 . 26 1 1 A 79 79 LEU C C 79 174.527 179.300 -4.773 1
1 1012 . 26 1 1 A 79 79 LEU CA C 79 59.756 57.543 2.213 1
1 1013 . 26 1 1 A 79 79 LEU CB C 79 42.961 41.377 1.584 1
1 1017 . 26 1 1 A 79 79 LEU N N 79 120.772 119.337 1.435 1
1 1018 . 26 1 1 A 80 80 CYS H H 80 8.268 7.806 0.462 1
1 1019 . 26 1 1 A 80 80 CYS HA H 80 3.344 3.730 -0.386 1
1 1022 . 26 1 1 A 80 80 CYS C C 80 176.127 176.638 -0.511 1
1 1023 . 26 1 1 A 80 80 CYS CA C 80 64.083 62.191 1.892 1
1 1024 . 26 1 1 A 80 80 CYS CB C 80 28.199 27.146 1.053 1
1 1025 . 26 1 1 A 80 80 CYS N N 80 118.257 118.709 -0.452 1
1 1026 . 26 1 1 A 81 81 MET H H 81 7.600 8.394 -0.794 1
1 1027 . 26 1 1 A 81 81 MET HA H 81 3.242 4.194 -0.952 1
1 1035 . 26 1 1 A 81 81 MET C C 81 176.227 178.349 -2.122 1
1 1036 . 26 1 1 A 81 81 MET CA C 81 60.091 58.065 2.026 1
1 1037 . 26 1 1 A 81 81 MET CB C 81 34.090 31.761 2.329 1
1 1040 . 26 1 1 A 81 81 MET N N 81 114.515 119.080 -4.565 1
1 1041 . 26 1 1 A 82 82 ALA H H 82 7.299 7.824 -0.525 1
1 1042 . 26 1 1 A 82 82 ALA HA H 82 4.121 4.146 -0.025 1
1 1046 . 26 1 1 A 82 82 ALA C C 82 173.827 177.505 -3.678 1
1 1047 . 26 1 1 A 82 82 ALA CA C 82 54.930 54.347 0.583 1
1 1048 . 26 1 1 A 82 82 ALA CB C 82 20.641 18.669 1.972 1
1 1049 . 26 1 1 A 82 82 ALA N N 82 118.977 120.770 -1.793 1
1 1050 . 26 1 1 A 83 83 TYR H H 83 7.623 7.501 0.122 1
1 1051 . 26 1 1 A 83 83 TYR HA H 83 4.771 4.787 -0.016 1
1 1058 . 26 1 1 A 83 83 TYR CA C 83 59.333 57.264 2.069 1
1 1059 . 26 1 1 A 83 83 TYR CB C 83 41.599 39.833 1.766 1
1 1060 . 26 1 1 A 83 83 TYR N N 83 113.311 113.550 -0.239 1
1 1061 . 26 1 1 A 84 84 ASN HA H 84 4.534 4.412 0.122 1
1 1064 . 26 1 1 A 84 84 ASN CA C 84 56.126 53.323 2.803 1
1 1065 . 26 1 1 A 84 84 ASN CB C 84 41.990 37.402 4.588 1
1 1066 . 26 1 1 A 85 85 ASP H H 85 8.681 8.515 0.166 1
1 1067 . 26 1 1 A 85 85 ASP HA H 85 4.086 4.658 -0.572 1
1 1070 . 26 1 1 A 85 85 ASP CA C 85 58.457 54.649 3.808 1
1 1071 . 26 1 1 A 85 85 ASP CB C 85 42.260 41.297 0.963 1
1 1072 . 26 1 1 A 85 85 ASP N N 85 126.079 120.094 5.985 1
1 1073 . 26 1 1 A 86 86 PHE H H 86 8.672 7.727 0.945 1
1 1074 . 26 1 1 A 86 86 PHE HA H 86 3.744 4.398 -0.654 1
1 1081 . 26 1 1 A 86 86 PHE C C 86 176.827 176.804 0.023 1
1 1082 . 26 1 1 A 86 86 PHE CA C 86 62.903 59.914 2.989 1
1 1083 . 26 1 1 A 86 86 PHE CB C 86 41.596 37.855 3.741 1
1 1084 . 26 1 1 A 86 86 PHE N N 86 121.950 117.568 4.382 1
1 1085 . 26 1 1 A 87 87 PHE H H 87 7.225 7.319 -0.094 1
1 1086 . 26 1 1 A 87 87 PHE HA H 87 3.836 4.804 -0.968 1
1 1093 . 26 1 1 A 87 87 PHE C C 87 176.927 175.027 1.900 1
1 1094 . 26 1 1 A 87 87 PHE CA C 87 60.422 57.406 3.016 1
1 1095 . 26 1 1 A 87 87 PHE CB C 87 41.081 39.754 1.327 1
1 1096 . 26 1 1 A 87 87 PHE N N 87 110.928 116.956 -6.028 1
1 1097 . 26 1 1 A 88 88 LEU H H 88 7.130 7.748 -0.618 1
1 1098 . 26 1 1 A 88 88 LEU HA H 88 4.169 4.816 -0.647 1
1 1108 . 26 1 1 A 88 88 LEU C C 88 175.027 176.640 -1.613 1
1 1109 . 26 1 1 A 88 88 LEU CA C 88 56.962 53.032 3.930 1
1 1110 . 26 1 1 A 88 88 LEU CB C 88 44.199 44.757 -0.558 1
1 1114 . 26 1 1 A 88 88 LEU N N 88 119.732 120.033 -0.301 1
1 1115 . 26 1 1 A 89 89 GLU H H 89 8.097 8.851 -0.754 1
1 1116 . 26 1 1 A 89 89 GLU HA H 89 4.087 4.565 -0.478 1
1 1121 . 26 1 1 A 89 89 GLU C C 89 176.427 175.691 0.736 1
1 1122 . 26 1 1 A 89 89 GLU CA C 89 58.216 57.346 0.870 1
1 1123 . 26 1 1 A 89 89 GLU CB C 89 32.309 31.929 0.380 1
1 1125 . 26 1 1 A 89 89 GLU N N 89 121.626 119.638 1.988 1
1 1126 . 26 1 1 A 90 90 ASP H H 90 8.243 7.775 0.468 1
1 1127 . 26 1 1 A 90 90 ASP HA H 90 4.425 4.797 -0.372 1
1 1130 . 26 1 1 A 90 90 ASP C C 90 176.527 173.535 2.992 1
1 1131 . 26 1 1 A 90 90 ASP CA C 90 55.815 52.876 2.939 1
1 1132 . 26 1 1 A 90 90 ASP CB C 90 42.874 43.921 -1.047 1
1 1133 . 26 1 1 A 90 90 ASP N N 90 121.280 117.154 4.126 1
1 1134 . 26 1 1 A 91 91 ASN H H 91 8.267 8.621 -0.354 1
1 1135 . 26 1 1 A 91 91 ASN HA H 91 4.563 4.740 -0.177 1
1 1140 . 26 1 1 A 91 91 ASN C C 91 178.127 174.670 3.457 1
1 1141 . 26 1 1 A 91 91 ASN CA C 91 54.928 52.008 2.920 1
1 1142 . 26 1 1 A 91 91 ASN CB C 91 40.529 37.008 3.521 1
1 1143 . 26 1 1 A 91 91 ASN N N 91 119.209 119.382 -0.173 1
1 14 . 27 1 1 A 2 2 GLU H H 2 8.722 8.765 -0.043 1
1 15 . 27 1 1 A 2 2 GLU HA H 2 4.557 4.949 -0.392 1
1 20 . 27 1 1 A 2 2 GLU C C 2 175.827 174.734 1.093 1
1 21 . 27 1 1 A 2 2 GLU CA C 2 58.063 56.158 1.905 1
1 22 . 27 1 1 A 2 2 GLU CB C 2 33.147 32.249 0.898 1
1 24 . 27 1 1 A 2 2 GLU N N 2 124.627 122.908 1.719 1
1 25 . 27 1 1 A 3 3 THR H H 3 8.670 8.474 0.196 1
1 26 . 27 1 1 A 3 3 THR HA H 3 4.616 4.975 -0.359 1
1 31 . 27 1 1 A 3 3 THR CA C 3 61.734 58.611 3.123 1
1 32 . 27 1 1 A 3 3 THR CB C 3 70.590 70.760 -0.170 1
1 34 . 27 1 1 A 3 3 THR N N 3 116.274 117.859 -1.585 1
1 35 . 27 1 1 A 4 4 PRO HA H 4 4.161 4.221 -0.060 1
1 42 . 27 1 1 A 4 4 PRO C C 4 172.227 177.883 -5.656 1
1 43 . 27 1 1 A 4 4 PRO CA C 4 68.211 65.938 2.273 1
1 44 . 27 1 1 A 4 4 PRO CB C 4 33.796 31.830 1.966 1
1 47 . 27 1 1 A 5 5 LEU H H 5 9.207 7.635 1.572 1
1 48 . 27 1 1 A 5 5 LEU HA H 5 4.038 4.038 0.000 1
1 58 . 27 1 1 A 5 5 LEU C C 5 174.327 178.208 -3.881 1
1 59 . 27 1 1 A 5 5 LEU CA C 5 59.483 57.283 2.200 1
1 60 . 27 1 1 A 5 5 LEU CB C 5 43.877 41.714 2.163 1
1 64 . 27 1 1 A 5 5 LEU N N 5 119.157 116.989 2.168 1
1 65 . 27 1 1 A 6 6 GLU H H 6 7.661 8.219 -0.558 1
1 66 . 27 1 1 A 6 6 GLU HA H 6 3.755 3.971 -0.216 1
1 71 . 27 1 1 A 6 6 GLU C C 6 172.727 179.063 -6.336 1
1 72 . 27 1 1 A 6 6 GLU CA C 6 61.953 59.588 2.365 1
1 73 . 27 1 1 A 6 6 GLU CB C 6 31.354 29.382 1.972 1
1 75 . 27 1 1 A 6 6 GLU N N 6 119.837 119.263 0.574 1
1 76 . 27 1 1 A 7 7 LYS H H 7 8.430 7.780 0.650 1
1 77 . 27 1 1 A 7 7 LYS HA H 7 3.921 4.038 -0.117 1
1 86 . 27 1 1 A 7 7 LYS C C 7 172.927 179.167 -6.240 1
1 87 . 27 1 1 A 7 7 LYS CA C 7 61.312 59.139 2.173 1
1 88 . 27 1 1 A 7 7 LYS CB C 7 33.861 32.081 1.780 1
1 92 . 27 1 1 A 7 7 LYS N N 7 119.023 119.522 -0.499 1
1 93 . 27 1 1 A 8 8 ALA H H 8 8.079 7.834 0.245 1
1 94 . 27 1 1 A 8 8 ALA HA H 8 4.085 4.060 0.025 1
1 98 . 27 1 1 A 8 8 ALA C C 8 173.027 180.162 -7.135 1
1 99 . 27 1 1 A 8 8 ALA CA C 8 56.967 55.215 1.752 1
1 100 . 27 1 1 A 8 8 ALA CB C 8 20.140 18.725 1.415 1
1 101 . 27 1 1 A 8 8 ALA N N 8 123.824 122.351 1.473 1
1 102 . 27 1 1 A 9 9 LEU H H 9 8.032 7.770 0.262 1
1 103 . 27 1 1 A 9 9 LEU HA H 9 4.061 4.012 0.049 1
1 113 . 27 1 1 A 9 9 LEU C C 9 172.527 179.361 -6.834 1
1 114 . 27 1 1 A 9 9 LEU CA C 9 60.071 58.063 2.008 1
1 115 . 27 1 1 A 9 9 LEU CB C 9 42.714 41.889 0.825 1
1 119 . 27 1 1 A 9 9 LEU N N 9 118.643 118.177 0.466 1
1 120 . 27 1 1 A 10 10 THR H H 10 8.686 8.266 0.420 1
1 121 . 27 1 1 A 10 10 THR HA H 10 3.798 3.926 -0.128 1
1 126 . 27 1 1 A 10 10 THR C C 10 175.127 176.547 -1.420 1
1 127 . 27 1 1 A 10 10 THR CA C 10 69.282 66.558 2.724 1
1 128 . 27 1 1 A 10 10 THR CB C 10 70.132 68.650 1.482 1
1 130 . 27 1 1 A 10 10 THR N N 10 117.087 115.781 1.306 1
1 131 . 27 1 1 A 11 11 THR H H 11 8.628 8.410 0.218 1
1 132 . 27 1 1 A 11 11 THR HA H 11 3.961 3.929 0.032 1
1 137 . 27 1 1 A 11 11 THR C C 11 174.427 176.920 -2.493 1
1 138 . 27 1 1 A 11 11 THR CA C 11 68.408 67.009 1.399 1
1 139 . 27 1 1 A 11 11 THR CB C 11 69.107 68.299 0.808 1
1 141 . 27 1 1 A 11 11 THR N N 11 120.770 116.983 3.787 1
1 142 . 27 1 1 A 12 12 MET H H 12 8.390 8.323 0.067 1
1 143 . 27 1 1 A 12 12 MET HA H 12 3.956 4.342 -0.386 1
1 151 . 27 1 1 A 12 12 MET C C 12 175.127 178.393 -3.266 1
1 152 . 27 1 1 A 12 12 MET CA C 12 62.750 57.700 5.050 1
1 153 . 27 1 1 A 12 12 MET CB C 12 34.952 32.369 2.583 1
1 156 . 27 1 1 A 12 12 MET N N 12 124.388 118.923 5.465 1
1 157 . 27 1 1 A 13 13 VAL H H 13 8.104 8.472 -0.368 1
1 158 . 27 1 1 A 13 13 VAL HA H 13 3.576 3.696 -0.120 1
1 166 . 27 1 1 A 13 13 VAL C C 13 175.327 178.178 -2.851 1
1 167 . 27 1 1 A 13 13 VAL CA C 13 68.958 65.581 3.377 1
1 168 . 27 1 1 A 13 13 VAL CB C 13 33.703 31.497 2.206 1
1 171 . 27 1 1 A 13 13 VAL N N 13 121.753 116.595 5.158 1
1 172 . 27 1 1 A 14 14 THR H H 14 9.186 8.193 0.993 1
1 173 . 27 1 1 A 14 14 THR HA H 14 3.774 3.960 -0.186 1
1 178 . 27 1 1 A 14 14 THR C C 14 173.927 177.119 -3.192 1
1 179 . 27 1 1 A 14 14 THR CA C 14 67.955 66.066 1.889 1
1 180 . 27 1 1 A 14 14 THR CB C 14 70.504 68.297 2.207 1
1 182 . 27 1 1 A 14 14 THR N N 14 114.911 116.521 -1.610 1
1 183 . 27 1 1 A 15 15 THR H H 15 8.453 8.142 0.311 1
1 184 . 27 1 1 A 15 15 THR HA H 15 3.859 4.157 -0.298 1
1 190 . 27 1 1 A 15 15 THR C C 15 178.127 176.683 1.444 1
1 191 . 27 1 1 A 15 15 THR CA C 15 69.609 65.774 3.835 1
1 192 . 27 1 1 A 15 15 THR CB C 15 70.511 68.340 2.171 1
1 194 . 27 1 1 A 15 15 THR N N 15 118.791 113.273 5.518 1
1 195 . 27 1 1 A 16 16 PHE H H 16 7.207 8.192 -0.985 1
1 196 . 27 1 1 A 16 16 PHE HA H 16 3.572 4.041 -0.469 1
1 203 . 27 1 1 A 16 16 PHE C C 16 178.527 177.685 0.842 1
1 204 . 27 1 1 A 16 16 PHE CA C 16 64.090 61.372 2.718 1
1 205 . 27 1 1 A 16 16 PHE CB C 16 41.091 38.868 2.223 1
1 206 . 27 1 1 A 16 16 PHE N N 16 121.331 124.400 -3.069 1
1 207 . 27 1 1 A 17 17 HIS H H 17 8.393 8.195 0.198 1
1 208 . 27 1 1 A 17 17 HIS HA H 17 5.329 4.348 0.981 1
1 211 . 27 1 1 A 17 17 HIS C C 17 174.627 177.066 -2.439 1
1 212 . 27 1 1 A 17 17 HIS CA C 17 56.667 58.817 -2.150 1
1 213 . 27 1 1 A 17 17 HIS CB C 17 32.397 30.304 2.093 1
1 214 . 27 1 1 A 17 17 HIS N N 17 117.858 118.510 -0.652 1
1 215 . 27 1 1 A 18 18 LYS H H 18 7.767 7.539 0.228 1
1 216 . 27 1 1 A 18 18 LYS HA H 18 3.553 3.767 -0.214 1
1 225 . 27 1 1 A 18 18 LYS C C 18 175.527 176.683 -1.156 1
1 226 . 27 1 1 A 18 18 LYS CA C 18 61.301 58.729 2.572 1
1 227 . 27 1 1 A 18 18 LYS CB C 18 33.523 32.052 1.471 1
1 231 . 27 1 1 A 18 18 LYS N N 18 120.691 118.730 1.961 1
1 232 . 27 1 1 A 19 19 TYR H H 19 7.079 7.732 -0.653 1
1 233 . 27 1 1 A 19 19 TYR HA H 19 3.993 4.543 -0.550 1
1 240 . 27 1 1 A 19 19 TYR C C 19 174.227 176.774 -2.547 1
1 241 . 27 1 1 A 19 19 TYR CA C 19 61.287 58.569 2.718 1
1 242 . 27 1 1 A 19 19 TYR CB C 19 42.066 40.084 1.982 1
1 243 . 27 1 1 A 19 19 TYR N N 19 114.592 116.356 -1.764 1
1 244 . 27 1 1 A 20 20 SER H H 20 9.708 8.245 1.463 1
1 245 . 27 1 1 A 20 20 SER HA H 20 4.117 4.122 -0.005 1
1 248 . 27 1 1 A 20 20 SER C C 20 175.227 175.682 -0.455 1
1 249 . 27 1 1 A 20 20 SER CA C 20 60.135 60.955 -0.820 1
1 250 . 27 1 1 A 20 20 SER CB C 20 63.159 62.583 0.576 1
1 251 . 27 1 1 A 20 20 SER N N 20 121.764 114.385 7.379 1
1 252 . 27 1 1 A 21 21 GLY H H 21 8.146 7.977 0.169 1
1 253 . 27 1 1 A 21 21 GLY HA2 H 21 3.956 3.601 0.355 1
1 254 . 27 1 1 A 21 21 GLY HA3 H 21 3.571 4.113 -0.542 1
1 255 . 27 1 1 A 21 21 GLY C C 21 177.927 174.427 3.500 1
1 256 . 27 1 1 A 21 21 GLY CA C 21 46.646 44.928 1.718 1
1 257 . 27 1 1 A 21 21 GLY N N 21 106.982 108.909 -1.927 1
1 258 . 27 1 1 A 22 22 ARG H H 22 7.007 7.861 -0.854 1
1 259 . 27 1 1 A 22 22 ARG HA H 22 3.815 4.190 -0.375 1
1 266 . 27 1 1 A 22 22 ARG C C 22 175.927 175.942 -0.015 1
1 267 . 27 1 1 A 22 22 ARG CA C 22 60.766 57.744 3.022 1
1 268 . 27 1 1 A 22 22 ARG CB C 22 32.302 31.171 1.131 1
1 271 . 27 1 1 A 22 22 ARG N N 22 118.055 119.012 -0.957 1
1 272 . 27 1 1 A 23 23 GLU H H 23 7.551 7.694 -0.143 1
1 273 . 27 1 1 A 23 23 GLU HA H 23 4.436 4.783 -0.347 1
1 278 . 27 1 1 A 23 23 GLU C C 23 177.727 175.910 1.817 1
1 279 . 27 1 1 A 23 23 GLU CA C 23 56.853 54.718 2.135 1
1 280 . 27 1 1 A 23 23 GLU CB C 23 33.988 32.054 1.934 1
1 282 . 27 1 1 A 23 23 GLU N N 23 114.631 117.052 -2.421 1
1 283 . 27 1 1 A 24 24 GLY H H 24 8.376 8.753 -0.377 1
1 284 . 27 1 1 A 24 24 GLY HA2 H 24 3.771 4.028 -0.257 1
1 285 . 27 1 1 A 24 24 GLY HA3 H 24 3.567 4.186 -0.619 1
1 286 . 27 1 1 A 24 24 GLY C C 24 177.127 174.783 2.344 1
1 287 . 27 1 1 A 24 24 GLY CA C 24 47.718 44.413 3.305 1
1 288 . 27 1 1 A 24 24 GLY N N 24 107.626 110.297 -2.671 1
1 289 . 27 1 1 A 25 25 SER H H 25 8.443 8.712 -0.269 1
1 290 . 27 1 1 A 25 25 SER HA H 25 4.314 4.192 0.122 1
1 293 . 27 1 1 A 25 25 SER C C 25 175.527 175.088 0.439 1
1 294 . 27 1 1 A 25 25 SER CA C 25 59.146 59.346 -0.200 1
1 295 . 27 1 1 A 25 25 SER CB C 25 65.573 61.821 3.752 1
1 296 . 27 1 1 A 25 25 SER N N 25 119.000 113.201 5.799 1
1 297 . 27 1 1 A 26 26 LYS H H 26 8.821 8.054 0.767 1
1 298 . 27 1 1 A 26 26 LYS HA H 26 4.307 4.156 0.151 1
1 307 . 27 1 1 A 26 26 LYS C C 26 176.027 177.214 -1.187 1
1 308 . 27 1 1 A 26 26 LYS CA C 26 59.180 58.700 0.480 1
1 309 . 27 1 1 A 26 26 LYS CB C 26 33.211 31.651 1.560 1
1 313 . 27 1 1 A 26 26 LYS N N 26 126.125 119.164 6.961 1
1 314 . 27 1 1 A 27 27 LEU H H 27 8.237 7.900 0.337 1
1 315 . 27 1 1 A 27 27 LEU HA H 27 4.534 4.450 0.084 1
1 325 . 27 1 1 A 27 27 LEU C C 27 175.627 176.236 -0.609 1
1 326 . 27 1 1 A 27 27 LEU CA C 27 56.384 56.217 0.167 1
1 327 . 27 1 1 A 27 27 LEU CB C 27 44.218 42.343 1.875 1
1 331 . 27 1 1 A 27 27 LEU N N 27 117.484 116.359 1.125 1
1 332 . 27 1 1 A 28 28 THR H H 28 7.386 8.156 -0.770 1
1 333 . 27 1 1 A 28 28 THR HA H 28 5.517 5.467 0.050 1
1 338 . 27 1 1 A 28 28 THR C C 28 180.227 172.585 7.642 1
1 339 . 27 1 1 A 28 28 THR CA C 28 61.014 60.031 0.983 1
1 340 . 27 1 1 A 28 28 THR CB C 28 75.348 72.957 2.391 1
1 342 . 27 1 1 A 28 28 THR N N 28 106.230 109.484 -3.254 1
1 343 . 27 1 1 A 29 29 LEU H H 29 8.721 8.999 -0.278 1
1 344 . 27 1 1 A 29 29 LEU HA H 29 4.713 4.789 -0.076 1
1 354 . 27 1 1 A 29 29 LEU C C 29 176.927 175.377 1.550 1
1 355 . 27 1 1 A 29 29 LEU CA C 29 55.163 53.749 1.414 1
1 356 . 27 1 1 A 29 29 LEU CB C 29 46.059 44.577 1.482 1
1 360 . 27 1 1 A 29 29 LEU N N 29 116.728 116.239 0.489 1
1 361 . 27 1 1 A 30 30 SER H H 30 8.866 8.740 0.126 1
1 362 . 27 1 1 A 30 30 SER HA H 30 4.942 4.826 0.116 1
1 365 . 27 1 1 A 30 30 SER C C 30 176.327 175.302 1.025 1
1 366 . 27 1 1 A 30 30 SER CA C 30 59.032 57.535 1.497 1
1 367 . 27 1 1 A 30 30 SER CB C 30 67.150 64.582 2.568 1
1 368 . 27 1 1 A 30 30 SER N N 30 117.110 115.993 1.117 1
1 369 . 27 1 1 A 31 31 ARG H H 31 8.393 9.005 -0.612 1
1 370 . 27 1 1 A 31 31 ARG HA H 31 3.695 3.901 -0.206 1
1 377 . 27 1 1 A 31 31 ARG C C 31 174.127 177.233 -3.106 1
1 378 . 27 1 1 A 31 31 ARG CA C 31 62.776 59.524 3.252 1
1 379 . 27 1 1 A 31 31 ARG CB C 31 31.601 29.897 1.704 1
1 382 . 27 1 1 A 31 31 ARG N N 31 121.109 122.406 -1.297 1
1 383 . 27 1 1 A 32 32 LYS H H 32 8.264 7.779 0.485 1
1 384 . 27 1 1 A 32 32 LYS HA H 32 3.912 4.006 -0.094 1
1 393 . 27 1 1 A 32 32 LYS C C 32 172.827 178.207 -5.380 1
1 394 . 27 1 1 A 32 32 LYS CA C 32 61.591 59.109 2.482 1
1 395 . 27 1 1 A 32 32 LYS CB C 32 34.116 31.608 2.508 1
1 399 . 27 1 1 A 32 32 LYS N N 32 118.536 118.989 -0.453 1
1 400 . 27 1 1 A 33 33 GLU H H 33 7.790 7.714 0.076 1
1 401 . 27 1 1 A 33 33 GLU HA H 33 4.049 4.060 -0.011 1
1 406 . 27 1 1 A 33 33 GLU C C 33 174.327 178.485 -4.158 1
1 407 . 27 1 1 A 33 33 GLU CA C 33 60.634 59.242 1.392 1
1 408 . 27 1 1 A 33 33 GLU CB C 33 31.617 28.758 2.859 1
1 410 . 27 1 1 A 33 33 GLU N N 33 121.557 118.671 2.886 1
1 411 . 27 1 1 A 34 34 LEU H H 34 8.388 8.271 0.117 1
1 412 . 27 1 1 A 34 34 LEU HA H 34 3.844 3.830 0.014 1
1 422 . 27 1 1 A 34 34 LEU C C 34 174.927 178.090 -3.163 1
1 423 . 27 1 1 A 34 34 LEU CA C 34 59.173 57.486 1.687 1
1 424 . 27 1 1 A 34 34 LEU CB C 34 42.053 41.471 0.582 1
1 428 . 27 1 1 A 34 34 LEU N N 34 120.999 121.317 -0.318 1
1 429 . 27 1 1 A 35 35 LYS H H 35 7.817 7.886 -0.069 1
1 430 . 27 1 1 A 35 35 LYS HA H 35 3.478 3.745 -0.267 1
1 439 . 27 1 1 A 35 35 LYS C C 35 174.627 178.311 -3.684 1
1 440 . 27 1 1 A 35 35 LYS CA C 35 62.312 59.598 2.714 1
1 441 . 27 1 1 A 35 35 LYS CB C 35 33.814 32.034 1.780 1
1 445 . 27 1 1 A 35 35 LYS N N 35 118.738 118.711 0.027 1
1 446 . 27 1 1 A 36 36 GLU H H 36 7.208 7.522 -0.314 1
1 447 . 27 1 1 A 36 36 GLU HA H 36 3.801 3.948 -0.147 1
1 452 . 27 1 1 A 36 36 GLU C C 36 175.227 178.140 -2.913 1
1 453 . 27 1 1 A 36 36 GLU CA C 36 61.015 58.880 2.135 1
1 454 . 27 1 1 A 36 36 GLU CB C 36 30.770 29.326 1.444 1
1 456 . 27 1 1 A 36 36 GLU N N 36 118.771 119.347 -0.576 1
1 457 . 27 1 1 A 37 37 LEU H H 37 8.038 7.867 0.171 1
1 458 . 27 1 1 A 37 37 LEU HA H 37 3.178 3.091 0.087 1
1 468 . 27 1 1 A 37 37 LEU C C 37 172.927 178.050 -5.123 1
1 469 . 27 1 1 A 37 37 LEU CA C 37 60.915 57.858 3.057 1
1 470 . 27 1 1 A 37 37 LEU CB C 37 43.352 41.146 2.206 1
1 474 . 27 1 1 A 37 37 LEU N N 37 121.767 119.990 1.777 1
1 475 . 27 1 1 A 38 38 ILE H H 38 8.224 7.966 0.258 1
1 476 . 27 1 1 A 38 38 ILE HA H 38 3.234 3.643 -0.409 1
1 486 . 27 1 1 A 38 38 ILE C C 38 174.727 178.752 -4.025 1
1 487 . 27 1 1 A 38 38 ILE CA C 38 66.464 64.540 1.924 1
1 488 . 27 1 1 A 38 38 ILE CB C 38 38.799 37.129 1.670 1
1 492 . 27 1 1 A 38 38 ILE N N 38 119.417 119.540 -0.123 1
1 493 . 27 1 1 A 39 39 LYS H H 39 7.700 7.955 -0.255 1
1 494 . 27 1 1 A 39 39 LYS HA H 39 3.894 4.228 -0.334 1
1 503 . 27 1 1 A 39 39 LYS C C 39 173.727 177.041 -3.314 1
1 504 . 27 1 1 A 39 39 LYS CA C 39 61.015 58.808 2.207 1
1 505 . 27 1 1 A 39 39 LYS CB C 39 34.100 32.357 1.743 1
1 509 . 27 1 1 A 39 39 LYS N N 39 117.277 120.014 -2.737 1
1 510 . 27 1 1 A 40 40 LYS H H 40 8.170 7.718 0.452 1
1 511 . 27 1 1 A 40 40 LYS HA H 40 4.226 4.424 -0.198 1
1 520 . 27 1 1 A 40 40 LYS C C 40 173.427 178.193 -4.766 1
1 521 . 27 1 1 A 40 40 LYS CA C 40 59.251 57.278 1.973 1
1 522 . 27 1 1 A 40 40 LYS CB C 40 35.528 33.953 1.575 1
1 526 . 27 1 1 A 40 40 LYS N N 40 115.146 117.706 -2.560 1
1 527 . 27 1 1 A 41 41 GLU H H 41 8.778 8.148 0.630 1
1 528 . 27 1 1 A 41 41 GLU HA H 41 4.629 4.377 0.252 1
1 533 . 27 1 1 A 41 41 GLU C C 41 175.527 176.262 -0.735 1
1 534 . 27 1 1 A 41 41 GLU CA C 41 57.177 57.631 -0.454 1
1 535 . 27 1 1 A 41 41 GLU CB C 41 31.656 30.550 1.106 1
1 537 . 27 1 1 A 41 41 GLU N N 41 113.604 117.206 -3.602 1
1 538 . 27 1 1 A 42 42 LEU H H 42 7.610 7.476 0.134 1
1 539 . 27 1 1 A 42 42 LEU HA H 42 4.475 4.874 -0.399 1
1 549 . 27 1 1 A 42 42 LEU C C 42 177.227 175.530 1.697 1
1 550 . 27 1 1 A 42 42 LEU CA C 42 56.047 53.644 2.403 1
1 551 . 27 1 1 A 42 42 LEU CB C 42 45.748 44.908 0.840 1
1 555 . 27 1 1 A 42 42 LEU N N 42 118.997 120.206 -1.209 1
1 556 . 27 1 1 A 43 43 CYS H H 43 8.501 8.578 -0.077 1
1 557 . 27 1 1 A 43 43 CYS HA H 43 4.397 5.168 -0.771 1
1 560 . 27 1 1 A 43 43 CYS C C 43 177.327 172.825 4.502 1
1 561 . 27 1 1 A 43 43 CYS CA C 43 60.023 58.186 1.837 1
1 562 . 27 1 1 A 43 43 CYS CB C 43 27.915 30.089 -2.174 1
1 563 . 27 1 1 A 43 43 CYS N N 43 119.622 119.821 -0.199 1
1 564 . 27 1 1 A 44 44 LEU H H 44 8.200 8.879 -0.679 1
1 565 . 27 1 1 A 44 44 LEU HA H 44 3.979 4.678 -0.699 1
1 575 . 27 1 1 A 44 44 LEU C C 44 173.927 177.338 -3.411 1
1 576 . 27 1 1 A 44 44 LEU CA C 44 57.244 55.224 2.020 1
1 577 . 27 1 1 A 44 44 LEU CB C 44 43.622 44.394 -0.772 1
1 581 . 27 1 1 A 44 44 LEU N N 44 121.955 124.119 -2.164 1
1 582 . 27 1 1 A 45 45 GLY H H 45 8.244 8.248 -0.004 1
1 583 . 27 1 1 A 45 45 GLY HA2 H 45 3.849 3.959 -0.110 1
1 584 . 27 1 1 A 45 45 GLY HA3 H 45 3.789 4.066 -0.277 1
1 585 . 27 1 1 A 45 45 GLY C C 45 178.027 174.667 3.360 1
1 586 . 27 1 1 A 45 45 GLY CA C 45 47.023 45.498 1.525 1
1 587 . 27 1 1 A 45 45 GLY N N 45 107.702 108.107 -0.405 1
1 588 . 27 1 1 A 46 46 GLU H H 46 8.286 8.056 0.230 1
1 589 . 27 1 1 A 46 46 GLU HA H 46 4.039 4.500 -0.461 1
1 594 . 27 1 1 A 46 46 GLU C C 46 175.127 175.481 -0.354 1
1 595 . 27 1 1 A 46 46 GLU CA C 46 59.176 55.720 3.456 1
1 596 . 27 1 1 A 46 46 GLU CB C 46 31.361 30.666 0.695 1
1 598 . 27 1 1 A 46 46 GLU N N 46 119.602 118.844 0.758 1
1 599 . 27 1 1 A 47 47 MET H H 47 8.048 7.490 0.558 1
1 600 . 27 1 1 A 47 47 MET HA H 47 4.229 4.721 -0.492 1
1 608 . 27 1 1 A 47 47 MET C C 47 175.727 175.568 0.159 1
1 609 . 27 1 1 A 47 47 MET CA C 47 58.183 54.618 3.565 1
1 610 . 27 1 1 A 47 47 MET CB C 47 34.087 34.738 -0.651 1
1 613 . 27 1 1 A 47 47 MET N N 47 119.617 116.181 3.436 1
1 614 . 27 1 1 A 48 48 LYS H H 48 8.221 8.786 -0.565 1
1 615 . 27 1 1 A 48 48 LYS HA H 48 4.217 4.025 0.192 1
1 624 . 27 1 1 A 48 48 LYS C C 48 174.927 175.381 -0.454 1
1 625 . 27 1 1 A 48 48 LYS CA C 48 58.304 58.156 0.148 1
1 626 . 27 1 1 A 48 48 LYS CB C 48 34.548 30.828 3.720 1
1 630 . 27 1 1 A 48 48 LYS N N 48 120.987 119.371 1.616 1
1 631 . 27 1 1 A 49 49 GLU H H 49 8.346 8.659 -0.313 1
1 632 . 27 1 1 A 49 49 GLU HA H 49 3.922 4.546 -0.624 1
1 637 . 27 1 1 A 49 49 GLU C C 49 174.427 177.979 -3.552 1
1 638 . 27 1 1 A 49 49 GLU CA C 49 60.298 55.791 4.507 1
1 639 . 27 1 1 A 49 49 GLU CB C 49 31.065 30.740 0.325 1
1 641 . 27 1 1 A 49 49 GLU N N 49 121.867 121.436 0.431 1
1 642 . 27 1 1 A 50 50 SER H H 50 8.348 8.905 -0.557 1
1 643 . 27 1 1 A 50 50 SER HA H 50 4.172 4.311 -0.139 1
1 647 . 27 1 1 A 50 50 SER C C 50 176.027 175.423 0.604 1
1 648 . 27 1 1 A 50 50 SER CA C 50 62.548 60.251 2.297 1
1 649 . 27 1 1 A 50 50 SER CB C 50 64.840 62.775 2.065 1
1 650 . 27 1 1 A 50 50 SER N N 50 115.695 118.035 -2.340 1
1 651 . 27 1 1 A 51 51 SER H H 51 7.980 8.452 -0.472 1
1 652 . 27 1 1 A 51 51 SER HA H 51 4.258 4.279 -0.021 1
1 655 . 27 1 1 A 51 51 SER C C 51 174.427 175.639 -1.212 1
1 656 . 27 1 1 A 51 51 SER CA C 51 62.828 60.902 1.926 1
1 657 . 27 1 1 A 51 51 SER CB C 51 64.749 63.036 1.713 1
1 658 . 27 1 1 A 51 51 SER N N 51 117.126 117.604 -0.478 1
1 659 . 27 1 1 A 52 52 ILE H H 52 7.365 7.414 -0.049 1
1 660 . 27 1 1 A 52 52 ILE HA H 52 4.038 3.869 0.169 1
1 670 . 27 1 1 A 52 52 ILE C C 52 175.627 177.272 -1.645 1
1 671 . 27 1 1 A 52 52 ILE CA C 52 64.609 63.874 0.735 1
1 672 . 27 1 1 A 52 52 ILE CB C 52 39.272 37.497 1.775 1
1 676 . 27 1 1 A 52 52 ILE N N 52 117.484 119.459 -1.975 1
1 677 . 27 1 1 A 53 53 ASP H H 53 7.681 8.163 -0.482 1
1 678 . 27 1 1 A 53 53 ASP HA H 53 4.214 4.360 -0.146 1
1 681 . 27 1 1 A 53 53 ASP C C 53 174.027 178.190 -4.163 1
1 682 . 27 1 1 A 53 53 ASP CA C 53 59.799 57.064 2.735 1
1 683 . 27 1 1 A 53 53 ASP CB C 53 42.927 41.193 1.734 1
1 684 . 27 1 1 A 53 53 ASP N N 53 121.969 121.194 0.775 1
1 685 . 27 1 1 A 54 54 ASP H H 54 8.227 8.313 -0.086 1
1 686 . 27 1 1 A 54 54 ASP HA H 54 4.231 4.368 -0.137 1
1 689 . 27 1 1 A 54 54 ASP C C 54 172.927 177.799 -4.872 1
1 690 . 27 1 1 A 54 54 ASP CA C 54 59.507 56.737 2.770 1
1 691 . 27 1 1 A 54 54 ASP CB C 54 41.818 41.500 0.318 1
1 692 . 27 1 1 A 54 54 ASP N N 54 118.083 119.521 -1.438 1
1 693 . 27 1 1 A 55 55 LEU H H 55 7.650 7.695 -0.045 1
1 694 . 27 1 1 A 55 55 LEU HA H 55 4.016 4.113 -0.097 1
1 704 . 27 1 1 A 55 55 LEU C C 55 171.927 179.005 -7.078 1
1 705 . 27 1 1 A 55 55 LEU CA C 55 59.965 57.444 2.521 1
1 706 . 27 1 1 A 55 55 LEU CB C 55 43.370 41.471 1.899 1
1 710 . 27 1 1 A 55 55 LEU N N 55 121.634 119.168 2.466 1
1 711 . 27 1 1 A 56 56 MET H H 56 8.429 8.258 0.171 1
1 712 . 27 1 1 A 56 56 MET HA H 56 4.325 4.149 0.176 1
1 720 . 27 1 1 A 56 56 MET C C 56 172.527 178.255 -5.728 1
1 721 . 27 1 1 A 56 56 MET CA C 56 59.221 59.263 -0.042 1
1 722 . 27 1 1 A 56 56 MET CB C 56 34.106 32.872 1.234 1
1 725 . 27 1 1 A 56 56 MET N N 56 118.696 116.766 1.930 1
1 726 . 27 1 1 A 57 57 LYS H H 57 8.249 8.373 -0.124 1
1 727 . 27 1 1 A 57 57 LYS HA H 57 3.996 4.206 -0.210 1
1 736 . 27 1 1 A 57 57 LYS C C 57 172.527 177.472 -4.945 1
1 737 . 27 1 1 A 57 57 LYS CA C 57 60.872 58.294 2.578 1
1 738 . 27 1 1 A 57 57 LYS CB C 57 33.853 31.333 2.520 1
1 742 . 27 1 1 A 57 57 LYS N N 57 119.855 117.968 1.887 1
1 743 . 27 1 1 A 58 58 SER H H 58 7.729 7.726 0.003 1
1 744 . 27 1 1 A 58 58 SER HA H 58 4.125 4.481 -0.356 1
1 747 . 27 1 1 A 58 58 SER C C 58 176.527 175.818 0.709 1
1 748 . 27 1 1 A 58 58 SER CA C 58 63.029 58.931 4.098 1
1 749 . 27 1 1 A 58 58 SER CB C 58 64.686 63.732 0.954 1
1 750 . 27 1 1 A 58 58 SER N N 58 115.984 114.828 1.156 1
1 751 . 27 1 1 A 59 59 LEU H H 59 7.288 7.595 -0.307 1
1 752 . 27 1 1 A 59 59 LEU HA H 59 4.058 4.225 -0.167 1
1 762 . 27 1 1 A 59 59 LEU C C 59 175.827 179.167 -3.340 1
1 763 . 27 1 1 A 59 59 LEU CA C 59 57.364 57.256 0.108 1
1 764 . 27 1 1 A 59 59 LEU CB C 59 42.712 41.878 0.834 1
1 768 . 27 1 1 A 59 59 LEU N N 59 120.622 119.815 0.807 1
1 769 . 27 1 1 A 60 60 ASP H H 60 7.431 8.026 -0.595 1
1 770 . 27 1 1 A 60 60 ASP HA H 60 4.386 4.611 -0.225 1
1 773 . 27 1 1 A 60 60 ASP C C 60 175.927 177.995 -2.068 1
1 774 . 27 1 1 A 60 60 ASP CA C 60 57.012 56.215 0.797 1
1 775 . 27 1 1 A 60 60 ASP CB C 60 42.351 40.551 1.800 1
1 776 . 27 1 1 A 60 60 ASP N N 60 116.755 119.330 -2.575 1
1 777 . 27 1 1 A 61 61 LYS H H 61 7.243 7.861 -0.618 1
1 778 . 27 1 1 A 61 61 LYS HA H 61 4.223 4.040 0.183 1
1 787 . 27 1 1 A 61 61 LYS C C 61 176.527 177.813 -1.286 1
1 788 . 27 1 1 A 61 61 LYS CA C 61 57.287 58.712 -1.425 1
1 789 . 27 1 1 A 61 61 LYS CB C 61 34.683 32.307 2.376 1
1 793 . 27 1 1 A 61 61 LYS N N 61 119.913 120.659 -0.746 1
1 794 . 27 1 1 A 62 62 ASN H H 62 8.725 7.682 1.043 1
1 795 . 27 1 1 A 62 62 ASN HA H 62 4.462 4.868 -0.406 1
1 800 . 27 1 1 A 62 62 ASN C C 62 175.627 175.960 -0.333 1
1 801 . 27 1 1 A 62 62 ASN CA C 62 55.452 53.419 2.033 1
1 802 . 27 1 1 A 62 62 ASN CB C 62 39.336 41.080 -1.744 1
1 803 . 27 1 1 A 62 62 ASN N N 62 120.247 115.237 5.010 1
1 805 . 27 1 1 A 63 63 SER H H 63 8.061 8.142 -0.081 1
1 806 . 27 1 1 A 63 63 SER HA H 63 3.957 4.414 -0.457 1
1 809 . 27 1 1 A 63 63 SER C C 63 174.827 173.873 0.954 1
1 810 . 27 1 1 A 63 63 SER CA C 63 62.954 60.349 2.605 1
1 811 . 27 1 1 A 63 63 SER CB C 63 65.586 62.288 3.298 1
1 812 . 27 1 1 A 63 63 SER N N 63 113.249 114.329 -1.080 1
1 813 . 27 1 1 A 64 64 ASP H H 64 8.408 8.603 -0.195 1
1 814 . 27 1 1 A 64 64 ASP HA H 64 4.573 4.722 -0.149 1
1 817 . 27 1 1 A 64 64 ASP C C 64 176.027 174.775 1.252 1
1 818 . 27 1 1 A 64 64 ASP CA C 64 55.789 53.947 1.842 1
1 819 . 27 1 1 A 64 64 ASP CB C 64 42.365 41.376 0.989 1
1 820 . 27 1 1 A 64 64 ASP N N 64 117.587 118.197 -0.610 1
1 821 . 27 1 1 A 65 65 GLN H H 65 7.779 7.286 0.493 1
1 822 . 27 1 1 A 65 65 GLN HA H 65 4.026 5.058 -1.032 1
1 829 . 27 1 1 A 65 65 GLN C C 65 176.827 174.543 2.284 1
1 830 . 27 1 1 A 65 65 GLN CA C 65 58.241 54.036 4.205 1
1 831 . 27 1 1 A 65 65 GLN CB C 65 31.309 32.249 -0.940 1
1 833 . 27 1 1 A 65 65 GLN N N 65 121.059 120.268 0.791 1
1 835 . 27 1 1 A 66 66 GLU H H 66 8.365 8.603 -0.238 1
1 836 . 27 1 1 A 66 66 GLU HA H 66 4.320 4.894 -0.574 1
1 841 . 27 1 1 A 66 66 GLU C C 66 176.227 176.197 0.030 1
1 842 . 27 1 1 A 66 66 GLU CA C 66 58.238 56.374 1.864 1
1 843 . 27 1 1 A 66 66 GLU CB C 66 32.567 30.881 1.686 1
1 845 . 27 1 1 A 66 66 GLU N N 66 123.061 124.761 -1.700 1
1 846 . 27 1 1 A 67 67 ILE H H 67 9.350 8.892 0.458 1
1 847 . 27 1 1 A 67 67 ILE HA H 67 4.543 4.848 -0.305 1
1 857 . 27 1 1 A 67 67 ILE C C 67 178.127 175.030 3.097 1
1 858 . 27 1 1 A 67 67 ILE CA C 67 61.173 59.470 1.703 1
1 859 . 27 1 1 A 67 67 ILE CB C 67 41.460 42.231 -0.771 1
1 863 . 27 1 1 A 67 67 ILE N N 67 121.809 122.874 -1.065 1
1 864 . 27 1 1 A 68 68 ASP H H 68 8.140 8.463 -0.323 1
1 865 . 27 1 1 A 68 68 ASP HA H 68 5.408 5.215 0.193 1
1 868 . 27 1 1 A 68 68 ASP C C 68 176.127 176.471 -0.344 1
1 869 . 27 1 1 A 68 68 ASP CA C 68 53.471 52.205 1.266 1
1 870 . 27 1 1 A 68 68 ASP CB C 68 43.898 42.548 1.350 1
1 871 . 27 1 1 A 68 68 ASP N N 68 122.626 125.236 -2.610 1
1 872 . 27 1 1 A 69 69 PHE H H 69 9.486 8.978 0.508 1
1 873 . 27 1 1 A 69 69 PHE HA H 69 3.397 3.968 -0.571 1
1 880 . 27 1 1 A 69 69 PHE C C 69 174.727 177.497 -2.770 1
1 881 . 27 1 1 A 69 69 PHE CA C 69 63.764 61.905 1.859 1
1 882 . 27 1 1 A 69 69 PHE CB C 69 42.009 39.319 2.690 1
1 883 . 27 1 1 A 69 69 PHE N N 69 118.584 120.767 -2.183 1
1 884 . 27 1 1 A 70 70 LYS H H 70 7.510 8.417 -0.907 1
1 885 . 27 1 1 A 70 70 LYS HA H 70 3.633 3.809 -0.176 1
1 894 . 27 1 1 A 70 70 LYS C C 70 173.627 179.392 -5.765 1
1 895 . 27 1 1 A 70 70 LYS CA C 70 61.940 59.770 2.170 1
1 896 . 27 1 1 A 70 70 LYS CB C 70 33.189 32.114 1.075 1
1 900 . 27 1 1 A 70 70 LYS N N 70 117.327 119.036 -1.709 1
1 901 . 27 1 1 A 71 71 GLU H H 71 8.151 8.390 -0.239 1
1 902 . 27 1 1 A 71 71 GLU HA H 71 3.930 4.157 -0.227 1
1 907 . 27 1 1 A 71 71 GLU C C 71 173.127 178.735 -5.608 1
1 908 . 27 1 1 A 71 71 GLU CA C 71 61.000 59.216 1.784 1
1 909 . 27 1 1 A 71 71 GLU CB C 71 31.639 29.608 2.031 1
1 911 . 27 1 1 A 71 71 GLU N N 71 120.925 118.628 2.297 1
1 912 . 27 1 1 A 72 72 TYR H H 72 8.454 8.451 0.003 1
1 913 . 27 1 1 A 72 72 TYR HA H 72 4.047 4.375 -0.328 1
1 920 . 27 1 1 A 72 72 TYR C C 72 177.227 177.903 -0.676 1
1 921 . 27 1 1 A 72 72 TYR CA C 72 62.068 61.132 0.936 1
1 922 . 27 1 1 A 72 72 TYR CB C 72 39.522 38.906 0.616 1
1 923 . 27 1 1 A 72 72 TYR N N 72 123.271 122.880 0.391 1
1 924 . 27 1 1 A 73 73 SER H H 73 7.990 8.450 -0.460 1
1 925 . 27 1 1 A 73 73 SER HA H 73 3.245 4.072 -0.827 1
1 928 . 27 1 1 A 73 73 SER C C 73 174.327 176.603 -2.276 1
1 929 . 27 1 1 A 73 73 SER CA C 73 62.841 61.443 1.398 1
1 930 . 27 1 1 A 73 73 SER CB C 73 64.317 62.421 1.896 1
1 931 . 27 1 1 A 73 73 SER N N 73 115.432 114.419 1.013 1
1 932 . 27 1 1 A 74 74 VAL H H 74 8.112 8.064 0.048 1
1 933 . 27 1 1 A 74 74 VAL HA H 74 3.375 3.872 -0.497 1
1 941 . 27 1 1 A 74 74 VAL C C 74 174.427 178.328 -3.901 1
1 942 . 27 1 1 A 74 74 VAL CA C 74 68.677 65.804 2.873 1
1 943 . 27 1 1 A 74 74 VAL CB C 74 33.164 31.474 1.690 1
1 946 . 27 1 1 A 74 74 VAL N N 74 123.807 119.194 4.613 1
1 947 . 27 1 1 A 75 75 PHE H H 75 8.149 8.332 -0.183 1
1 948 . 27 1 1 A 75 75 PHE HA H 75 3.878 4.222 -0.344 1
1 955 . 27 1 1 A 75 75 PHE C C 75 174.627 177.089 -2.462 1
1 956 . 27 1 1 A 75 75 PHE CA C 75 64.444 61.380 3.064 1
1 957 . 27 1 1 A 75 75 PHE CB C 75 40.823 39.306 1.517 1
1 958 . 27 1 1 A 75 75 PHE N N 75 122.351 123.906 -1.555 1
1 959 . 27 1 1 A 76 76 LEU H H 76 8.141 8.390 -0.249 1
1 960 . 27 1 1 A 76 76 LEU HA H 76 3.648 3.834 -0.186 1
1 970 . 27 1 1 A 76 76 LEU C C 76 173.327 179.032 -5.705 1
1 971 . 27 1 1 A 76 76 LEU CA C 76 59.810 58.140 1.670 1
1 972 . 27 1 1 A 76 76 LEU CB C 76 42.994 41.967 1.027 1
1 976 . 27 1 1 A 76 76 LEU N N 76 116.801 119.934 -3.133 1
1 977 . 27 1 1 A 77 77 THR H H 77 8.005 7.974 0.031 1
1 978 . 27 1 1 A 77 77 THR HA H 77 3.561 3.795 -0.234 1
1 984 . 27 1 1 A 77 77 THR C C 77 176.427 175.893 0.534 1
1 985 . 27 1 1 A 77 77 THR CA C 77 69.876 66.644 3.232 1
1 986 . 27 1 1 A 77 77 THR CB C 77 71.163 67.966 3.197 1
1 988 . 27 1 1 A 77 77 THR N N 77 116.415 115.537 0.878 1
1 989 . 27 1 1 A 78 78 MET H H 78 8.059 8.458 -0.399 1
1 990 . 27 1 1 A 78 78 MET HA H 78 3.771 4.166 -0.395 1
1 995 . 27 1 1 A 78 78 MET C C 78 172.927 178.606 -5.679 1
1 996 . 27 1 1 A 78 78 MET CA C 78 60.751 57.972 2.779 1
1 997 . 27 1 1 A 78 78 MET CB C 78 33.255 31.840 1.415 1
1 999 . 27 1 1 A 78 78 MET N N 78 120.960 119.713 1.247 1
1 1000 . 27 1 1 A 79 79 LEU H H 79 8.007 8.165 -0.158 1
1 1001 . 27 1 1 A 79 79 LEU HA H 79 3.646 3.788 -0.142 1
1 1011 . 27 1 1 A 79 79 LEU C C 79 174.527 178.006 -3.479 1
1 1012 . 27 1 1 A 79 79 LEU CA C 79 59.756 58.007 1.749 1
1 1013 . 27 1 1 A 79 79 LEU CB C 79 42.961 41.478 1.483 1
1 1017 . 27 1 1 A 79 79 LEU N N 79 120.772 120.427 0.345 1
1 1018 . 27 1 1 A 80 80 CYS H H 80 8.268 8.383 -0.115 1
1 1019 . 27 1 1 A 80 80 CYS HA H 80 3.344 4.243 -0.899 1
1 1022 . 27 1 1 A 80 80 CYS C C 80 176.127 177.025 -0.898 1
1 1023 . 27 1 1 A 80 80 CYS CA C 80 64.083 62.948 1.135 1
1 1024 . 27 1 1 A 80 80 CYS CB C 80 28.199 26.995 1.204 1
1 1025 . 27 1 1 A 80 80 CYS N N 80 118.257 117.892 0.365 1
1 1026 . 27 1 1 A 81 81 MET H H 81 7.600 8.440 -0.840 1
1 1027 . 27 1 1 A 81 81 MET HA H 81 3.242 4.357 -1.115 1
1 1035 . 27 1 1 A 81 81 MET C C 81 176.227 177.555 -1.328 1
1 1036 . 27 1 1 A 81 81 MET CA C 81 60.091 57.823 2.268 1
1 1037 . 27 1 1 A 81 81 MET CB C 81 34.090 32.609 1.481 1
1 1040 . 27 1 1 A 81 81 MET N N 81 114.515 120.603 -6.088 1
1 1041 . 27 1 1 A 82 82 ALA H H 82 7.299 7.590 -0.291 1
1 1042 . 27 1 1 A 82 82 ALA HA H 82 4.121 4.265 -0.144 1
1 1046 . 27 1 1 A 82 82 ALA C C 82 173.827 177.576 -3.749 1
1 1047 . 27 1 1 A 82 82 ALA CA C 82 54.930 52.858 2.072 1
1 1048 . 27 1 1 A 82 82 ALA CB C 82 20.641 18.938 1.703 1
1 1049 . 27 1 1 A 82 82 ALA N N 82 118.977 119.960 -0.983 1
1 1050 . 27 1 1 A 83 83 TYR H H 83 7.623 7.771 -0.148 1
1 1051 . 27 1 1 A 83 83 TYR HA H 83 4.771 4.841 -0.070 1
1 1058 . 27 1 1 A 83 83 TYR CA C 83 59.333 57.377 1.956 1
1 1059 . 27 1 1 A 83 83 TYR CB C 83 41.599 40.460 1.139 1
1 1060 . 27 1 1 A 83 83 TYR N N 83 113.311 113.582 -0.271 1
1 1061 . 27 1 1 A 84 84 ASN HA H 84 4.534 4.814 -0.280 1
1 1064 . 27 1 1 A 84 84 ASN CA C 84 56.126 52.446 3.680 1
1 1065 . 27 1 1 A 84 84 ASN CB C 84 41.990 38.524 3.466 1
1 1066 . 27 1 1 A 85 85 ASP H H 85 8.681 8.855 -0.174 1
1 1067 . 27 1 1 A 85 85 ASP HA H 85 4.086 4.566 -0.480 1
1 1070 . 27 1 1 A 85 85 ASP CA C 85 58.457 54.918 3.539 1
1 1071 . 27 1 1 A 85 85 ASP CB C 85 42.260 40.419 1.841 1
1 1072 . 27 1 1 A 85 85 ASP N N 85 126.079 123.841 2.238 1
1 1073 . 27 1 1 A 86 86 PHE H H 86 8.672 7.957 0.715 1
1 1074 . 27 1 1 A 86 86 PHE HA H 86 3.744 4.610 -0.866 1
1 1081 . 27 1 1 A 86 86 PHE C C 86 176.827 176.583 0.244 1
1 1082 . 27 1 1 A 86 86 PHE CA C 86 62.903 59.583 3.320 1
1 1083 . 27 1 1 A 86 86 PHE CB C 86 41.596 38.217 3.379 1
1 1084 . 27 1 1 A 86 86 PHE N N 86 121.950 117.609 4.341 1
1 1085 . 27 1 1 A 87 87 PHE H H 87 7.225 8.052 -0.827 1
1 1086 . 27 1 1 A 87 87 PHE HA H 87 3.836 4.866 -1.030 1
1 1093 . 27 1 1 A 87 87 PHE C C 87 176.927 175.193 1.734 1
1 1094 . 27 1 1 A 87 87 PHE CA C 87 60.422 57.228 3.194 1
1 1095 . 27 1 1 A 87 87 PHE CB C 87 41.081 39.529 1.552 1
1 1096 . 27 1 1 A 87 87 PHE N N 87 110.928 114.606 -3.678 1
1 1097 . 27 1 1 A 88 88 LEU H H 88 7.130 7.939 -0.809 1
1 1098 . 27 1 1 A 88 88 LEU HA H 88 4.169 4.589 -0.420 1
1 1108 . 27 1 1 A 88 88 LEU C C 88 175.027 176.326 -1.299 1
1 1109 . 27 1 1 A 88 88 LEU CA C 88 56.962 53.442 3.520 1
1 1110 . 27 1 1 A 88 88 LEU CB C 88 44.199 42.740 1.459 1
1 1114 . 27 1 1 A 88 88 LEU N N 88 119.732 120.866 -1.134 1
1 1115 . 27 1 1 A 89 89 GLU H H 89 8.097 8.558 -0.461 1
1 1116 . 27 1 1 A 89 89 GLU HA H 89 4.087 4.466 -0.379 1
1 1121 . 27 1 1 A 89 89 GLU C C 89 176.427 176.013 0.414 1
1 1122 . 27 1 1 A 89 89 GLU CA C 89 58.216 57.336 0.880 1
1 1123 . 27 1 1 A 89 89 GLU CB C 89 32.309 32.642 -0.333 1
1 1125 . 27 1 1 A 89 89 GLU N N 89 121.626 121.226 0.400 1
1 1126 . 27 1 1 A 90 90 ASP H H 90 8.243 8.191 0.052 1
1 1127 . 27 1 1 A 90 90 ASP HA H 90 4.425 4.247 0.178 1
1 1130 . 27 1 1 A 90 90 ASP C C 90 176.527 176.387 0.140 1
1 1131 . 27 1 1 A 90 90 ASP CA C 90 55.815 55.206 0.609 1
1 1132 . 27 1 1 A 90 90 ASP CB C 90 42.874 40.117 2.757 1
1 1133 . 27 1 1 A 90 90 ASP N N 90 121.280 119.652 1.628 1
1 1134 . 27 1 1 A 91 91 ASN H H 91 8.267 8.037 0.230 1
1 1135 . 27 1 1 A 91 91 ASN HA H 91 4.563 4.503 0.060 1
1 1140 . 27 1 1 A 91 91 ASN C C 91 178.127 175.152 2.975 1
1 1141 . 27 1 1 A 91 91 ASN CA C 91 54.928 55.528 -0.600 1
1 1142 . 27 1 1 A 91 91 ASN CB C 91 40.529 39.146 1.383 1
1 1143 . 27 1 1 A 91 91 ASN N N 91 119.209 118.245 0.964 1
1 14 . 28 1 1 A 2 2 GLU H H 2 8.722 8.633 0.089 1
1 15 . 28 1 1 A 2 2 GLU HA H 2 4.557 4.409 0.148 1
1 20 . 28 1 1 A 2 2 GLU C C 2 175.827 176.195 -0.368 1
1 21 . 28 1 1 A 2 2 GLU CA C 2 58.063 57.851 0.212 1
1 22 . 28 1 1 A 2 2 GLU CB C 2 33.147 30.733 2.414 1
1 24 . 28 1 1 A 2 2 GLU N N 2 124.627 124.066 0.561 1
1 25 . 28 1 1 A 3 3 THR H H 3 8.670 7.783 0.887 1
1 26 . 28 1 1 A 3 3 THR HA H 3 4.616 4.830 -0.214 1
1 31 . 28 1 1 A 3 3 THR CA C 3 61.734 59.790 1.944 1
1 32 . 28 1 1 A 3 3 THR CB C 3 70.590 70.282 0.308 1
1 34 . 28 1 1 A 3 3 THR N N 3 116.274 110.508 5.766 1
1 35 . 28 1 1 A 4 4 PRO HA H 4 4.161 4.216 -0.055 1
1 42 . 28 1 1 A 4 4 PRO C C 4 172.227 178.020 -5.793 1
1 43 . 28 1 1 A 4 4 PRO CA C 4 68.211 66.066 2.145 1
1 44 . 28 1 1 A 4 4 PRO CB C 4 33.796 31.715 2.081 1
1 47 . 28 1 1 A 5 5 LEU H H 5 9.207 7.711 1.496 1
1 48 . 28 1 1 A 5 5 LEU HA H 5 4.038 4.054 -0.016 1
1 58 . 28 1 1 A 5 5 LEU C C 5 174.327 178.122 -3.795 1
1 59 . 28 1 1 A 5 5 LEU CA C 5 59.483 57.311 2.172 1
1 60 . 28 1 1 A 5 5 LEU CB C 5 43.877 41.427 2.450 1
1 64 . 28 1 1 A 5 5 LEU N N 5 119.157 117.217 1.940 1
1 65 . 28 1 1 A 6 6 GLU H H 6 7.661 8.062 -0.401 1
1 66 . 28 1 1 A 6 6 GLU HA H 6 3.755 3.881 -0.126 1
1 71 . 28 1 1 A 6 6 GLU C C 6 172.727 178.870 -6.143 1
1 72 . 28 1 1 A 6 6 GLU CA C 6 61.953 60.004 1.949 1
1 73 . 28 1 1 A 6 6 GLU CB C 6 31.354 29.204 2.150 1
1 75 . 28 1 1 A 6 6 GLU N N 6 119.837 119.109 0.728 1
1 76 . 28 1 1 A 7 7 LYS H H 7 8.430 7.777 0.653 1
1 77 . 28 1 1 A 7 7 LYS HA H 7 3.921 4.046 -0.125 1
1 86 . 28 1 1 A 7 7 LYS C C 7 172.927 179.132 -6.205 1
1 87 . 28 1 1 A 7 7 LYS CA C 7 61.312 59.134 2.178 1
1 88 . 28 1 1 A 7 7 LYS CB C 7 33.861 32.155 1.706 1
1 92 . 28 1 1 A 7 7 LYS N N 7 119.023 119.364 -0.341 1
1 93 . 28 1 1 A 8 8 ALA H H 8 8.079 7.768 0.311 1
1 94 . 28 1 1 A 8 8 ALA HA H 8 4.085 4.083 0.002 1
1 98 . 28 1 1 A 8 8 ALA C C 8 173.027 180.316 -7.289 1
1 99 . 28 1 1 A 8 8 ALA CA C 8 56.967 55.036 1.931 1
1 100 . 28 1 1 A 8 8 ALA CB C 8 20.140 18.484 1.656 1
1 101 . 28 1 1 A 8 8 ALA N N 8 123.824 122.141 1.683 1
1 102 . 28 1 1 A 9 9 LEU H H 9 8.032 8.240 -0.208 1
1 103 . 28 1 1 A 9 9 LEU HA H 9 4.061 4.025 0.036 1
1 113 . 28 1 1 A 9 9 LEU C C 9 172.527 179.332 -6.805 1
1 114 . 28 1 1 A 9 9 LEU CA C 9 60.071 58.054 2.017 1
1 115 . 28 1 1 A 9 9 LEU CB C 9 42.714 41.999 0.715 1
1 119 . 28 1 1 A 9 9 LEU N N 9 118.643 117.785 0.858 1
1 120 . 28 1 1 A 10 10 THR H H 10 8.686 8.409 0.277 1
1 121 . 28 1 1 A 10 10 THR HA H 10 3.798 3.972 -0.174 1
1 126 . 28 1 1 A 10 10 THR C C 10 175.127 176.902 -1.775 1
1 127 . 28 1 1 A 10 10 THR CA C 10 69.282 66.560 2.722 1
1 128 . 28 1 1 A 10 10 THR CB C 10 70.132 68.444 1.688 1
1 130 . 28 1 1 A 10 10 THR N N 10 117.087 115.951 1.136 1
1 131 . 28 1 1 A 11 11 THR H H 11 8.628 8.339 0.289 1
1 132 . 28 1 1 A 11 11 THR HA H 11 3.961 3.957 0.004 1
1 137 . 28 1 1 A 11 11 THR C C 11 174.427 176.910 -2.483 1
1 138 . 28 1 1 A 11 11 THR CA C 11 68.408 66.654 1.754 1
1 139 . 28 1 1 A 11 11 THR CB C 11 69.107 68.058 1.049 1
1 141 . 28 1 1 A 11 11 THR N N 11 120.770 117.425 3.345 1
1 142 . 28 1 1 A 12 12 MET H H 12 8.390 8.433 -0.043 1
1 143 . 28 1 1 A 12 12 MET HA H 12 3.956 4.342 -0.386 1
1 151 . 28 1 1 A 12 12 MET C C 12 175.127 178.530 -3.403 1
1 152 . 28 1 1 A 12 12 MET CA C 12 62.750 57.748 5.002 1
1 153 . 28 1 1 A 12 12 MET CB C 12 34.952 32.378 2.574 1
1 156 . 28 1 1 A 12 12 MET N N 12 124.388 118.896 5.492 1
1 157 . 28 1 1 A 13 13 VAL H H 13 8.104 8.416 -0.312 1
1 158 . 28 1 1 A 13 13 VAL HA H 13 3.576 4.258 -0.682 1
1 166 . 28 1 1 A 13 13 VAL C C 13 175.327 178.276 -2.949 1
1 167 . 28 1 1 A 13 13 VAL CA C 13 68.958 65.849 3.109 1
1 168 . 28 1 1 A 13 13 VAL CB C 13 33.703 31.642 2.061 1
1 171 . 28 1 1 A 13 13 VAL N N 13 121.753 116.803 4.950 1
1 172 . 28 1 1 A 14 14 THR H H 14 9.186 8.392 0.794 1
1 173 . 28 1 1 A 14 14 THR HA H 14 3.774 4.082 -0.308 1
1 178 . 28 1 1 A 14 14 THR C C 14 173.927 177.177 -3.250 1
1 179 . 28 1 1 A 14 14 THR CA C 14 67.955 66.074 1.881 1
1 180 . 28 1 1 A 14 14 THR CB C 14 70.504 68.528 1.976 1
1 182 . 28 1 1 A 14 14 THR N N 14 114.911 116.345 -1.434 1
1 183 . 28 1 1 A 15 15 THR H H 15 8.453 8.336 0.117 1
1 184 . 28 1 1 A 15 15 THR HA H 15 3.859 4.064 -0.205 1
1 190 . 28 1 1 A 15 15 THR C C 15 178.127 176.133 1.994 1
1 191 . 28 1 1 A 15 15 THR CA C 15 69.609 67.021 2.588 1
1 192 . 28 1 1 A 15 15 THR CB C 15 70.511 68.651 1.860 1
1 194 . 28 1 1 A 15 15 THR N N 15 118.791 117.786 1.005 1
1 195 . 28 1 1 A 16 16 PHE H H 16 7.207 8.299 -1.092 1
1 196 . 28 1 1 A 16 16 PHE HA H 16 3.572 3.904 -0.332 1
1 203 . 28 1 1 A 16 16 PHE C C 16 178.527 177.553 0.974 1
1 204 . 28 1 1 A 16 16 PHE CA C 16 64.090 61.859 2.231 1
1 205 . 28 1 1 A 16 16 PHE CB C 16 41.091 38.938 2.153 1
1 206 . 28 1 1 A 16 16 PHE N N 16 121.331 121.466 -0.135 1
1 207 . 28 1 1 A 17 17 HIS H H 17 8.393 8.506 -0.113 1
1 208 . 28 1 1 A 17 17 HIS HA H 17 5.329 4.179 1.150 1
1 211 . 28 1 1 A 17 17 HIS C C 17 174.627 176.812 -2.185 1
1 212 . 28 1 1 A 17 17 HIS CA C 17 56.667 60.278 -3.611 1
1 213 . 28 1 1 A 17 17 HIS CB C 17 32.397 29.819 2.578 1
1 214 . 28 1 1 A 17 17 HIS N N 17 117.858 118.820 -0.962 1
1 215 . 28 1 1 A 18 18 LYS H H 18 7.767 7.879 -0.112 1
1 216 . 28 1 1 A 18 18 LYS HA H 18 3.553 3.834 -0.281 1
1 225 . 28 1 1 A 18 18 LYS C C 18 175.527 176.511 -0.984 1
1 226 . 28 1 1 A 18 18 LYS CA C 18 61.301 58.145 3.156 1
1 227 . 28 1 1 A 18 18 LYS CB C 18 33.523 31.918 1.605 1
1 231 . 28 1 1 A 18 18 LYS N N 18 120.691 118.075 2.616 1
1 232 . 28 1 1 A 19 19 TYR H H 19 7.079 7.599 -0.520 1
1 233 . 28 1 1 A 19 19 TYR HA H 19 3.993 4.517 -0.524 1
1 240 . 28 1 1 A 19 19 TYR C C 19 174.227 176.496 -2.269 1
1 241 . 28 1 1 A 19 19 TYR CA C 19 61.287 58.952 2.335 1
1 242 . 28 1 1 A 19 19 TYR CB C 19 42.066 39.587 2.479 1
1 243 . 28 1 1 A 19 19 TYR N N 19 114.592 117.665 -3.073 1
1 244 . 28 1 1 A 20 20 SER H H 20 9.708 8.060 1.648 1
1 245 . 28 1 1 A 20 20 SER HA H 20 4.117 4.075 0.042 1
1 248 . 28 1 1 A 20 20 SER C C 20 175.227 176.888 -1.661 1
1 249 . 28 1 1 A 20 20 SER CA C 20 60.135 60.817 -0.682 1
1 250 . 28 1 1 A 20 20 SER CB C 20 63.159 62.263 0.896 1
1 251 . 28 1 1 A 20 20 SER N N 20 121.764 115.933 5.831 1
1 252 . 28 1 1 A 21 21 GLY H H 21 8.146 7.948 0.198 1
1 253 . 28 1 1 A 21 21 GLY HA2 H 21 3.956 3.875 0.081 1
1 254 . 28 1 1 A 21 21 GLY HA3 H 21 3.571 4.057 -0.486 1
1 255 . 28 1 1 A 21 21 GLY C C 21 177.927 175.378 2.549 1
1 256 . 28 1 1 A 21 21 GLY CA C 21 46.646 46.047 0.599 1
1 257 . 28 1 1 A 21 21 GLY N N 21 106.982 107.371 -0.389 1
1 258 . 28 1 1 A 22 22 ARG H H 22 7.007 7.718 -0.711 1
1 259 . 28 1 1 A 22 22 ARG HA H 22 3.815 3.986 -0.171 1
1 266 . 28 1 1 A 22 22 ARG C C 22 175.927 176.105 -0.178 1
1 267 . 28 1 1 A 22 22 ARG CA C 22 60.766 58.805 1.961 1
1 268 . 28 1 1 A 22 22 ARG CB C 22 32.302 30.629 1.673 1
1 271 . 28 1 1 A 22 22 ARG N N 22 118.055 119.813 -1.758 1
1 272 . 28 1 1 A 23 23 GLU H H 23 7.551 7.628 -0.077 1
1 273 . 28 1 1 A 23 23 GLU HA H 23 4.436 4.530 -0.094 1
1 278 . 28 1 1 A 23 23 GLU C C 23 177.727 175.775 1.952 1
1 279 . 28 1 1 A 23 23 GLU CA C 23 56.853 55.796 1.057 1
1 280 . 28 1 1 A 23 23 GLU CB C 23 33.988 32.446 1.542 1
1 282 . 28 1 1 A 23 23 GLU N N 23 114.631 114.713 -0.082 1
1 283 . 28 1 1 A 24 24 GLY H H 24 8.376 8.530 -0.154 1
1 284 . 28 1 1 A 24 24 GLY HA2 H 24 3.771 3.971 -0.200 1
1 285 . 28 1 1 A 24 24 GLY HA3 H 24 3.567 4.067 -0.500 1
1 286 . 28 1 1 A 24 24 GLY C C 24 177.127 173.395 3.732 1
1 287 . 28 1 1 A 24 24 GLY CA C 24 47.718 45.559 2.159 1
1 288 . 28 1 1 A 24 24 GLY N N 24 107.626 109.988 -2.362 1
1 289 . 28 1 1 A 25 25 SER H H 25 8.443 7.416 1.027 1
1 290 . 28 1 1 A 25 25 SER HA H 25 4.314 4.838 -0.524 1
1 293 . 28 1 1 A 25 25 SER C C 25 175.527 173.734 1.793 1
1 294 . 28 1 1 A 25 25 SER CA C 25 59.146 56.894 2.252 1
1 295 . 28 1 1 A 25 25 SER CB C 25 65.573 64.588 0.985 1
1 296 . 28 1 1 A 25 25 SER N N 25 119.000 111.597 7.403 1
1 297 . 28 1 1 A 26 26 LYS H H 26 8.821 8.601 0.220 1
1 298 . 28 1 1 A 26 26 LYS HA H 26 4.307 4.621 -0.314 1
1 307 . 28 1 1 A 26 26 LYS C C 26 176.027 177.167 -1.140 1
1 308 . 28 1 1 A 26 26 LYS CA C 26 59.180 55.753 3.427 1
1 309 . 28 1 1 A 26 26 LYS CB C 26 33.211 33.779 -0.568 1
1 313 . 28 1 1 A 26 26 LYS N N 26 126.125 117.704 8.421 1
1 314 . 28 1 1 A 27 27 LEU H H 27 8.237 7.835 0.402 1
1 315 . 28 1 1 A 27 27 LEU HA H 27 4.534 4.878 -0.344 1
1 325 . 28 1 1 A 27 27 LEU C C 27 175.627 175.867 -0.240 1
1 326 . 28 1 1 A 27 27 LEU CA C 27 56.384 55.058 1.326 1
1 327 . 28 1 1 A 27 27 LEU CB C 27 44.218 43.943 0.275 1
1 331 . 28 1 1 A 27 27 LEU N N 27 117.484 114.902 2.582 1
1 332 . 28 1 1 A 28 28 THR H H 28 7.386 7.916 -0.530 1
1 333 . 28 1 1 A 28 28 THR HA H 28 5.517 5.572 -0.055 1
1 338 . 28 1 1 A 28 28 THR C C 28 180.227 172.604 7.623 1
1 339 . 28 1 1 A 28 28 THR CA C 28 61.014 60.105 0.909 1
1 340 . 28 1 1 A 28 28 THR CB C 28 75.348 73.104 2.244 1
1 342 . 28 1 1 A 28 28 THR N N 28 106.230 109.414 -3.184 1
1 343 . 28 1 1 A 29 29 LEU H H 29 8.721 8.458 0.263 1
1 344 . 28 1 1 A 29 29 LEU HA H 29 4.713 4.831 -0.118 1
1 354 . 28 1 1 A 29 29 LEU C C 29 176.927 175.624 1.303 1
1 355 . 28 1 1 A 29 29 LEU CA C 29 55.163 53.694 1.469 1
1 356 . 28 1 1 A 29 29 LEU CB C 29 46.059 44.577 1.482 1
1 360 . 28 1 1 A 29 29 LEU N N 29 116.728 116.146 0.582 1
1 361 . 28 1 1 A 30 30 SER H H 30 8.866 8.764 0.102 1
1 362 . 28 1 1 A 30 30 SER HA H 30 4.942 4.848 0.094 1
1 365 . 28 1 1 A 30 30 SER C C 30 176.327 175.961 0.366 1
1 366 . 28 1 1 A 30 30 SER CA C 30 59.032 57.151 1.881 1
1 367 . 28 1 1 A 30 30 SER CB C 30 67.150 65.365 1.785 1
1 368 . 28 1 1 A 30 30 SER N N 30 117.110 115.246 1.864 1
1 369 . 28 1 1 A 31 31 ARG H H 31 8.393 8.922 -0.529 1
1 370 . 28 1 1 A 31 31 ARG HA H 31 3.695 3.934 -0.239 1
1 377 . 28 1 1 A 31 31 ARG C C 31 174.127 178.172 -4.045 1
1 378 . 28 1 1 A 31 31 ARG CA C 31 62.776 60.006 2.770 1
1 379 . 28 1 1 A 31 31 ARG CB C 31 31.601 29.725 1.876 1
1 382 . 28 1 1 A 31 31 ARG N N 31 121.109 121.094 0.015 1
1 383 . 28 1 1 A 32 32 LYS H H 32 8.264 7.822 0.442 1
1 384 . 28 1 1 A 32 32 LYS HA H 32 3.912 4.128 -0.216 1
1 393 . 28 1 1 A 32 32 LYS C C 32 172.827 179.159 -6.332 1
1 394 . 28 1 1 A 32 32 LYS CA C 32 61.591 59.333 2.258 1
1 395 . 28 1 1 A 32 32 LYS CB C 32 34.116 31.968 2.148 1
1 399 . 28 1 1 A 32 32 LYS N N 32 118.536 119.005 -0.469 1
1 400 . 28 1 1 A 33 33 GLU H H 33 7.790 7.483 0.307 1
1 401 . 28 1 1 A 33 33 GLU HA H 33 4.049 4.029 0.020 1
1 406 . 28 1 1 A 33 33 GLU C C 33 174.327 178.430 -4.103 1
1 407 . 28 1 1 A 33 33 GLU CA C 33 60.634 58.919 1.715 1
1 408 . 28 1 1 A 33 33 GLU CB C 33 31.617 29.450 2.167 1
1 410 . 28 1 1 A 33 33 GLU N N 33 121.557 119.613 1.944 1
1 411 . 28 1 1 A 34 34 LEU H H 34 8.388 7.727 0.661 1
1 412 . 28 1 1 A 34 34 LEU HA H 34 3.844 3.820 0.024 1
1 422 . 28 1 1 A 34 34 LEU C C 34 174.927 178.254 -3.327 1
1 423 . 28 1 1 A 34 34 LEU CA C 34 59.173 57.809 1.364 1
1 424 . 28 1 1 A 34 34 LEU CB C 34 42.053 41.647 0.406 1
1 428 . 28 1 1 A 34 34 LEU N N 34 120.999 121.289 -0.290 1
1 429 . 28 1 1 A 35 35 LYS H H 35 7.817 7.968 -0.151 1
1 430 . 28 1 1 A 35 35 LYS HA H 35 3.478 3.681 -0.203 1
1 439 . 28 1 1 A 35 35 LYS C C 35 174.627 178.281 -3.654 1
1 440 . 28 1 1 A 35 35 LYS CA C 35 62.312 59.690 2.622 1
1 441 . 28 1 1 A 35 35 LYS CB C 35 33.814 32.320 1.494 1
1 445 . 28 1 1 A 35 35 LYS N N 35 118.738 118.501 0.237 1
1 446 . 28 1 1 A 36 36 GLU H H 36 7.208 7.871 -0.663 1
1 447 . 28 1 1 A 36 36 GLU HA H 36 3.801 4.132 -0.331 1
1 452 . 28 1 1 A 36 36 GLU C C 36 175.227 178.241 -3.014 1
1 453 . 28 1 1 A 36 36 GLU CA C 36 61.015 58.851 2.164 1
1 454 . 28 1 1 A 36 36 GLU CB C 36 30.770 29.207 1.563 1
1 456 . 28 1 1 A 36 36 GLU N N 36 118.771 118.912 -0.141 1
1 457 . 28 1 1 A 37 37 LEU H H 37 8.038 7.730 0.308 1
1 458 . 28 1 1 A 37 37 LEU HA H 37 3.178 3.084 0.094 1
1 468 . 28 1 1 A 37 37 LEU C C 37 172.927 177.860 -4.933 1
1 469 . 28 1 1 A 37 37 LEU CA C 37 60.915 58.021 2.894 1
1 470 . 28 1 1 A 37 37 LEU CB C 37 43.352 40.970 2.382 1
1 474 . 28 1 1 A 37 37 LEU N N 37 121.767 120.334 1.433 1
1 475 . 28 1 1 A 38 38 ILE H H 38 8.224 7.732 0.492 1
1 476 . 28 1 1 A 38 38 ILE HA H 38 3.234 3.642 -0.408 1
1 486 . 28 1 1 A 38 38 ILE C C 38 174.727 178.184 -3.457 1
1 487 . 28 1 1 A 38 38 ILE CA C 38 66.464 65.136 1.328 1
1 488 . 28 1 1 A 38 38 ILE CB C 38 38.799 37.608 1.191 1
1 492 . 28 1 1 A 38 38 ILE N N 38 119.417 119.411 0.006 1
1 493 . 28 1 1 A 39 39 LYS H H 39 7.700 7.878 -0.178 1
1 494 . 28 1 1 A 39 39 LYS HA H 39 3.894 4.300 -0.406 1
1 503 . 28 1 1 A 39 39 LYS C C 39 173.727 177.236 -3.509 1
1 504 . 28 1 1 A 39 39 LYS CA C 39 61.015 58.243 2.772 1
1 505 . 28 1 1 A 39 39 LYS CB C 39 34.100 32.170 1.930 1
1 509 . 28 1 1 A 39 39 LYS N N 39 117.277 120.130 -2.853 1
1 510 . 28 1 1 A 40 40 LYS H H 40 8.170 7.719 0.451 1
1 511 . 28 1 1 A 40 40 LYS HA H 40 4.226 4.412 -0.186 1
1 520 . 28 1 1 A 40 40 LYS C C 40 173.427 178.548 -5.121 1
1 521 . 28 1 1 A 40 40 LYS CA C 40 59.251 57.229 2.022 1
1 522 . 28 1 1 A 40 40 LYS CB C 40 35.528 33.207 2.321 1
1 526 . 28 1 1 A 40 40 LYS N N 40 115.146 117.941 -2.795 1
1 527 . 28 1 1 A 41 41 GLU H H 41 8.778 8.334 0.444 1
1 528 . 28 1 1 A 41 41 GLU HA H 41 4.629 4.286 0.343 1
1 533 . 28 1 1 A 41 41 GLU C C 41 175.527 176.165 -0.638 1
1 534 . 28 1 1 A 41 41 GLU CA C 41 57.177 58.452 -1.275 1
1 535 . 28 1 1 A 41 41 GLU CB C 41 31.656 29.251 2.405 1
1 537 . 28 1 1 A 41 41 GLU N N 41 113.604 115.623 -2.019 1
1 538 . 28 1 1 A 42 42 LEU H H 42 7.610 7.679 -0.069 1
1 539 . 28 1 1 A 42 42 LEU HA H 42 4.475 4.827 -0.352 1
1 549 . 28 1 1 A 42 42 LEU C C 42 177.227 176.889 0.338 1
1 550 . 28 1 1 A 42 42 LEU CA C 42 56.047 53.262 2.785 1
1 551 . 28 1 1 A 42 42 LEU CB C 42 45.748 45.237 0.511 1
1 555 . 28 1 1 A 42 42 LEU N N 42 118.997 118.838 0.159 1
1 556 . 28 1 1 A 43 43 CYS H H 43 8.501 8.988 -0.487 1
1 557 . 28 1 1 A 43 43 CYS HA H 43 4.397 4.173 0.224 1
1 560 . 28 1 1 A 43 43 CYS C C 43 177.327 174.807 2.520 1
1 561 . 28 1 1 A 43 43 CYS CA C 43 60.023 62.055 -2.032 1
1 562 . 28 1 1 A 43 43 CYS CB C 43 27.915 27.767 0.148 1
1 563 . 28 1 1 A 43 43 CYS N N 43 119.622 120.946 -1.324 1
1 564 . 28 1 1 A 44 44 LEU H H 44 8.200 7.771 0.429 1
1 565 . 28 1 1 A 44 44 LEU HA H 44 3.979 4.074 -0.095 1
1 575 . 28 1 1 A 44 44 LEU C C 44 173.927 176.471 -2.544 1
1 576 . 28 1 1 A 44 44 LEU CA C 44 57.244 56.340 0.904 1
1 577 . 28 1 1 A 44 44 LEU CB C 44 43.622 39.646 3.976 1
1 581 . 28 1 1 A 44 44 LEU N N 44 121.955 120.385 1.570 1
1 582 . 28 1 1 A 45 45 GLY H H 45 8.244 8.162 0.082 1
1 583 . 28 1 1 A 45 45 GLY HA2 H 45 3.849 3.946 -0.097 1
1 584 . 28 1 1 A 45 45 GLY HA3 H 45 3.789 4.042 -0.253 1
1 585 . 28 1 1 A 45 45 GLY C C 45 178.027 174.720 3.307 1
1 586 . 28 1 1 A 45 45 GLY CA C 45 47.023 45.666 1.357 1
1 587 . 28 1 1 A 45 45 GLY N N 45 107.702 106.527 1.175 1
1 588 . 28 1 1 A 46 46 GLU H H 46 8.286 8.135 0.151 1
1 589 . 28 1 1 A 46 46 GLU HA H 46 4.039 4.288 -0.249 1
1 594 . 28 1 1 A 46 46 GLU C C 46 175.127 175.602 -0.475 1
1 595 . 28 1 1 A 46 46 GLU CA C 46 59.176 56.060 3.116 1
1 596 . 28 1 1 A 46 46 GLU CB C 46 31.361 29.024 2.337 1
1 598 . 28 1 1 A 46 46 GLU N N 46 119.602 116.737 2.865 1
1 599 . 28 1 1 A 47 47 MET H H 47 8.048 7.641 0.407 1
1 600 . 28 1 1 A 47 47 MET HA H 47 4.229 4.904 -0.675 1
1 608 . 28 1 1 A 47 47 MET C C 47 175.727 174.717 1.010 1
1 609 . 28 1 1 A 47 47 MET CA C 47 58.183 54.301 3.882 1
1 610 . 28 1 1 A 47 47 MET CB C 47 34.087 35.978 -1.891 1
1 613 . 28 1 1 A 47 47 MET N N 47 119.617 119.056 0.561 1
1 614 . 28 1 1 A 48 48 LYS H H 48 8.221 8.811 -0.590 1
1 615 . 28 1 1 A 48 48 LYS HA H 48 4.217 4.635 -0.418 1
1 624 . 28 1 1 A 48 48 LYS C C 48 174.927 176.274 -1.347 1
1 625 . 28 1 1 A 48 48 LYS CA C 48 58.304 58.434 -0.130 1
1 626 . 28 1 1 A 48 48 LYS CB C 48 34.548 31.485 3.063 1
1 630 . 28 1 1 A 48 48 LYS N N 48 120.987 117.542 3.445 1
1 631 . 28 1 1 A 49 49 GLU H H 49 8.346 8.768 -0.422 1
1 632 . 28 1 1 A 49 49 GLU HA H 49 3.922 4.592 -0.670 1
1 637 . 28 1 1 A 49 49 GLU C C 49 174.427 176.833 -2.406 1
1 638 . 28 1 1 A 49 49 GLU CA C 49 60.298 55.123 5.175 1
1 639 . 28 1 1 A 49 49 GLU CB C 49 31.065 30.101 0.964 1
1 641 . 28 1 1 A 49 49 GLU N N 49 121.867 121.729 0.138 1
1 642 . 28 1 1 A 50 50 SER H H 50 8.348 8.386 -0.038 1
1 643 . 28 1 1 A 50 50 SER HA H 50 4.172 4.691 -0.519 1
1 647 . 28 1 1 A 50 50 SER C C 50 176.027 174.868 1.159 1
1 648 . 28 1 1 A 50 50 SER CA C 50 62.548 58.656 3.892 1
1 649 . 28 1 1 A 50 50 SER CB C 50 64.840 64.832 0.008 1
1 650 . 28 1 1 A 50 50 SER N N 50 115.695 114.144 1.551 1
1 651 . 28 1 1 A 51 51 SER H H 51 7.980 8.440 -0.460 1
1 652 . 28 1 1 A 51 51 SER HA H 51 4.258 4.166 0.092 1
1 655 . 28 1 1 A 51 51 SER C C 51 174.427 177.055 -2.628 1
1 656 . 28 1 1 A 51 51 SER CA C 51 62.828 61.431 1.397 1
1 657 . 28 1 1 A 51 51 SER CB C 51 64.749 63.203 1.546 1
1 658 . 28 1 1 A 51 51 SER N N 51 117.126 116.440 0.686 1
1 659 . 28 1 1 A 52 52 ILE H H 52 7.365 7.634 -0.269 1
1 660 . 28 1 1 A 52 52 ILE HA H 52 4.038 3.748 0.290 1
1 670 . 28 1 1 A 52 52 ILE C C 52 175.627 177.392 -1.765 1
1 671 . 28 1 1 A 52 52 ILE CA C 52 64.609 63.900 0.709 1
1 672 . 28 1 1 A 52 52 ILE CB C 52 39.272 37.784 1.488 1
1 676 . 28 1 1 A 52 52 ILE N N 52 117.484 122.193 -4.709 1
1 677 . 28 1 1 A 53 53 ASP H H 53 7.681 8.458 -0.777 1
1 678 . 28 1 1 A 53 53 ASP HA H 53 4.214 4.288 -0.074 1
1 681 . 28 1 1 A 53 53 ASP C C 53 174.027 178.035 -4.008 1
1 682 . 28 1 1 A 53 53 ASP CA C 53 59.799 57.919 1.880 1
1 683 . 28 1 1 A 53 53 ASP CB C 53 42.927 41.266 1.661 1
1 684 . 28 1 1 A 53 53 ASP N N 53 121.969 121.906 0.063 1
1 685 . 28 1 1 A 54 54 ASP H H 54 8.227 8.146 0.081 1
1 686 . 28 1 1 A 54 54 ASP HA H 54 4.231 4.416 -0.185 1
1 689 . 28 1 1 A 54 54 ASP C C 54 172.927 178.811 -5.884 1
1 690 . 28 1 1 A 54 54 ASP CA C 54 59.507 57.195 2.312 1
1 691 . 28 1 1 A 54 54 ASP CB C 54 41.818 40.984 0.834 1
1 692 . 28 1 1 A 54 54 ASP N N 54 118.083 119.711 -1.628 1
1 693 . 28 1 1 A 55 55 LEU H H 55 7.650 8.325 -0.675 1
1 694 . 28 1 1 A 55 55 LEU HA H 55 4.016 3.984 0.032 1
1 704 . 28 1 1 A 55 55 LEU C C 55 171.927 179.209 -7.282 1
1 705 . 28 1 1 A 55 55 LEU CA C 55 59.965 58.008 1.957 1
1 706 . 28 1 1 A 55 55 LEU CB C 55 43.370 41.452 1.918 1
1 710 . 28 1 1 A 55 55 LEU N N 55 121.634 120.431 1.203 1
1 711 . 28 1 1 A 56 56 MET H H 56 8.429 8.597 -0.168 1
1 712 . 28 1 1 A 56 56 MET HA H 56 4.325 4.199 0.126 1
1 720 . 28 1 1 A 56 56 MET C C 56 172.527 178.878 -6.351 1
1 721 . 28 1 1 A 56 56 MET CA C 56 59.221 59.230 -0.009 1
1 722 . 28 1 1 A 56 56 MET CB C 56 34.106 32.753 1.353 1
1 725 . 28 1 1 A 56 56 MET N N 56 118.696 116.916 1.780 1
1 726 . 28 1 1 A 57 57 LYS H H 57 8.249 7.857 0.392 1
1 727 . 28 1 1 A 57 57 LYS HA H 57 3.996 4.192 -0.196 1
1 736 . 28 1 1 A 57 57 LYS C C 57 172.527 178.888 -6.361 1
1 737 . 28 1 1 A 57 57 LYS CA C 57 60.872 59.102 1.770 1
1 738 . 28 1 1 A 57 57 LYS CB C 57 33.853 31.989 1.864 1
1 742 . 28 1 1 A 57 57 LYS N N 57 119.855 119.259 0.596 1
1 743 . 28 1 1 A 58 58 SER H H 58 7.729 8.494 -0.765 1
1 744 . 28 1 1 A 58 58 SER HA H 58 4.125 4.401 -0.276 1
1 747 . 28 1 1 A 58 58 SER C C 58 176.527 176.614 -0.087 1
1 748 . 28 1 1 A 58 58 SER CA C 58 63.029 61.551 1.478 1
1 749 . 28 1 1 A 58 58 SER CB C 58 64.686 63.244 1.442 1
1 750 . 28 1 1 A 58 58 SER N N 58 115.984 118.015 -2.031 1
1 751 . 28 1 1 A 59 59 LEU H H 59 7.288 8.059 -0.771 1
1 752 . 28 1 1 A 59 59 LEU HA H 59 4.058 4.036 0.022 1
1 762 . 28 1 1 A 59 59 LEU C C 59 175.827 178.985 -3.158 1
1 763 . 28 1 1 A 59 59 LEU CA C 59 57.364 58.107 -0.743 1
1 764 . 28 1 1 A 59 59 LEU CB C 59 42.712 41.730 0.982 1
1 768 . 28 1 1 A 59 59 LEU N N 59 120.622 122.346 -1.724 1
1 769 . 28 1 1 A 60 60 ASP H H 60 7.431 8.001 -0.570 1
1 770 . 28 1 1 A 60 60 ASP HA H 60 4.386 4.625 -0.239 1
1 773 . 28 1 1 A 60 60 ASP C C 60 175.927 178.862 -2.935 1
1 774 . 28 1 1 A 60 60 ASP CA C 60 57.012 57.347 -0.335 1
1 775 . 28 1 1 A 60 60 ASP CB C 60 42.351 40.401 1.950 1
1 776 . 28 1 1 A 60 60 ASP N N 60 116.755 118.959 -2.204 1
1 777 . 28 1 1 A 61 61 LYS H H 61 7.243 7.664 -0.421 1
1 778 . 28 1 1 A 61 61 LYS HA H 61 4.223 4.033 0.190 1
1 787 . 28 1 1 A 61 61 LYS C C 61 176.527 176.634 -0.107 1
1 788 . 28 1 1 A 61 61 LYS CA C 61 57.287 59.049 -1.762 1
1 789 . 28 1 1 A 61 61 LYS CB C 61 34.683 32.425 2.258 1
1 793 . 28 1 1 A 61 61 LYS N N 61 119.913 118.450 1.463 1
1 794 . 28 1 1 A 62 62 ASN H H 62 8.725 7.543 1.182 1
1 795 . 28 1 1 A 62 62 ASN HA H 62 4.462 5.075 -0.613 1
1 800 . 28 1 1 A 62 62 ASN C C 62 175.627 175.326 0.301 1
1 801 . 28 1 1 A 62 62 ASN CA C 62 55.452 52.206 3.246 1
1 802 . 28 1 1 A 62 62 ASN CB C 62 39.336 39.158 0.178 1
1 803 . 28 1 1 A 62 62 ASN N N 62 120.247 116.653 3.594 1
1 805 . 28 1 1 A 63 63 SER H H 63 8.061 8.775 -0.714 1
1 806 . 28 1 1 A 63 63 SER HA H 63 3.957 4.508 -0.551 1
1 809 . 28 1 1 A 63 63 SER C C 63 174.827 174.025 0.802 1
1 810 . 28 1 1 A 63 63 SER CA C 63 62.954 60.170 2.784 1
1 811 . 28 1 1 A 63 63 SER CB C 63 65.586 63.798 1.788 1
1 812 . 28 1 1 A 63 63 SER N N 63 113.249 119.127 -5.878 1
1 813 . 28 1 1 A 64 64 ASP H H 64 8.408 7.923 0.485 1
1 814 . 28 1 1 A 64 64 ASP HA H 64 4.573 4.765 -0.192 1
1 817 . 28 1 1 A 64 64 ASP C C 64 176.027 175.419 0.608 1
1 818 . 28 1 1 A 64 64 ASP CA C 64 55.789 54.047 1.742 1
1 819 . 28 1 1 A 64 64 ASP CB C 64 42.365 41.616 0.749 1
1 820 . 28 1 1 A 64 64 ASP N N 64 117.587 117.878 -0.291 1
1 821 . 28 1 1 A 65 65 GLN H H 65 7.779 7.524 0.255 1
1 822 . 28 1 1 A 65 65 GLN HA H 65 4.026 4.903 -0.877 1
1 829 . 28 1 1 A 65 65 GLN C C 65 176.827 175.064 1.763 1
1 830 . 28 1 1 A 65 65 GLN CA C 65 58.241 54.002 4.239 1
1 831 . 28 1 1 A 65 65 GLN CB C 65 31.309 31.982 -0.673 1
1 833 . 28 1 1 A 65 65 GLN N N 65 121.059 116.688 4.371 1
1 835 . 28 1 1 A 66 66 GLU H H 66 8.365 8.521 -0.156 1
1 836 . 28 1 1 A 66 66 GLU HA H 66 4.320 4.835 -0.515 1
1 841 . 28 1 1 A 66 66 GLU C C 66 176.227 176.587 -0.360 1
1 842 . 28 1 1 A 66 66 GLU CA C 66 58.238 56.536 1.702 1
1 843 . 28 1 1 A 66 66 GLU CB C 66 32.567 30.713 1.854 1
1 845 . 28 1 1 A 66 66 GLU N N 66 123.061 121.264 1.797 1
1 846 . 28 1 1 A 67 67 ILE H H 67 9.350 8.956 0.394 1
1 847 . 28 1 1 A 67 67 ILE HA H 67 4.543 4.869 -0.326 1
1 857 . 28 1 1 A 67 67 ILE C C 67 178.127 174.623 3.504 1
1 858 . 28 1 1 A 67 67 ILE CA C 67 61.173 59.108 2.065 1
1 859 . 28 1 1 A 67 67 ILE CB C 67 41.460 40.903 0.557 1
1 863 . 28 1 1 A 67 67 ILE N N 67 121.809 119.439 2.370 1
1 864 . 28 1 1 A 68 68 ASP H H 68 8.140 8.790 -0.650 1
1 865 . 28 1 1 A 68 68 ASP HA H 68 5.408 4.787 0.621 1
1 868 . 28 1 1 A 68 68 ASP C C 68 176.127 177.418 -1.291 1
1 869 . 28 1 1 A 68 68 ASP CA C 68 53.471 54.605 -1.134 1
1 870 . 28 1 1 A 68 68 ASP CB C 68 43.898 42.796 1.102 1
1 871 . 28 1 1 A 68 68 ASP N N 68 122.626 125.281 -2.655 1
1 872 . 28 1 1 A 69 69 PHE H H 69 9.486 9.339 0.147 1
1 873 . 28 1 1 A 69 69 PHE HA H 69 3.397 3.965 -0.568 1
1 880 . 28 1 1 A 69 69 PHE C C 69 174.727 177.130 -2.403 1
1 881 . 28 1 1 A 69 69 PHE CA C 69 63.764 61.674 2.090 1
1 882 . 28 1 1 A 69 69 PHE CB C 69 42.009 39.182 2.827 1
1 883 . 28 1 1 A 69 69 PHE N N 69 118.584 127.746 -9.162 1
1 884 . 28 1 1 A 70 70 LYS H H 70 7.510 8.379 -0.869 1
1 885 . 28 1 1 A 70 70 LYS HA H 70 3.633 4.116 -0.483 1
1 894 . 28 1 1 A 70 70 LYS C C 70 173.627 179.875 -6.248 1
1 895 . 28 1 1 A 70 70 LYS CA C 70 61.940 59.195 2.745 1
1 896 . 28 1 1 A 70 70 LYS CB C 70 33.189 32.055 1.134 1
1 900 . 28 1 1 A 70 70 LYS N N 70 117.327 118.100 -0.773 1
1 901 . 28 1 1 A 71 71 GLU H H 71 8.151 7.861 0.290 1
1 902 . 28 1 1 A 71 71 GLU HA H 71 3.930 4.142 -0.212 1
1 907 . 28 1 1 A 71 71 GLU C C 71 173.127 178.767 -5.640 1
1 908 . 28 1 1 A 71 71 GLU CA C 71 61.000 59.202 1.798 1
1 909 . 28 1 1 A 71 71 GLU CB C 71 31.639 29.610 2.029 1
1 911 . 28 1 1 A 71 71 GLU N N 71 120.925 120.861 0.064 1
1 912 . 28 1 1 A 72 72 TYR H H 72 8.454 7.852 0.602 1
1 913 . 28 1 1 A 72 72 TYR HA H 72 4.047 4.186 -0.139 1
1 920 . 28 1 1 A 72 72 TYR C C 72 177.227 177.873 -0.646 1
1 921 . 28 1 1 A 72 72 TYR CA C 72 62.068 61.063 1.005 1
1 922 . 28 1 1 A 72 72 TYR CB C 72 39.522 38.632 0.890 1
1 923 . 28 1 1 A 72 72 TYR N N 72 123.271 122.666 0.605 1
1 924 . 28 1 1 A 73 73 SER H H 73 7.990 8.435 -0.445 1
1 925 . 28 1 1 A 73 73 SER HA H 73 3.245 3.901 -0.656 1
1 928 . 28 1 1 A 73 73 SER C C 73 174.327 176.583 -2.256 1
1 929 . 28 1 1 A 73 73 SER CA C 73 62.841 61.301 1.540 1
1 930 . 28 1 1 A 73 73 SER CB C 73 64.317 62.501 1.816 1
1 931 . 28 1 1 A 73 73 SER N N 73 115.432 114.327 1.105 1
1 932 . 28 1 1 A 74 74 VAL H H 74 8.112 8.258 -0.146 1
1 933 . 28 1 1 A 74 74 VAL HA H 74 3.375 3.789 -0.414 1
1 941 . 28 1 1 A 74 74 VAL C C 74 174.427 178.227 -3.800 1
1 942 . 28 1 1 A 74 74 VAL CA C 74 68.677 65.482 3.195 1
1 943 . 28 1 1 A 74 74 VAL CB C 74 33.164 31.592 1.572 1
1 946 . 28 1 1 A 74 74 VAL N N 74 123.807 119.184 4.623 1
1 947 . 28 1 1 A 75 75 PHE H H 75 8.149 8.441 -0.292 1
1 948 . 28 1 1 A 75 75 PHE HA H 75 3.878 4.128 -0.250 1
1 955 . 28 1 1 A 75 75 PHE C C 75 174.627 177.209 -2.582 1
1 956 . 28 1 1 A 75 75 PHE CA C 75 64.444 61.129 3.315 1
1 957 . 28 1 1 A 75 75 PHE CB C 75 40.823 39.408 1.415 1
1 958 . 28 1 1 A 75 75 PHE N N 75 122.351 124.007 -1.656 1
1 959 . 28 1 1 A 76 76 LEU H H 76 8.141 8.407 -0.266 1
1 960 . 28 1 1 A 76 76 LEU HA H 76 3.648 3.907 -0.259 1
1 970 . 28 1 1 A 76 76 LEU C C 76 173.327 179.270 -5.943 1
1 971 . 28 1 1 A 76 76 LEU CA C 76 59.810 58.099 1.711 1
1 972 . 28 1 1 A 76 76 LEU CB C 76 42.994 41.302 1.692 1
1 976 . 28 1 1 A 76 76 LEU N N 76 116.801 119.670 -2.869 1
1 977 . 28 1 1 A 77 77 THR H H 77 8.005 7.864 0.141 1
1 978 . 28 1 1 A 77 77 THR HA H 77 3.561 3.771 -0.210 1
1 984 . 28 1 1 A 77 77 THR C C 77 176.427 176.765 -0.338 1
1 985 . 28 1 1 A 77 77 THR CA C 77 69.876 66.346 3.530 1
1 986 . 28 1 1 A 77 77 THR CB C 77 71.163 68.176 2.987 1
1 988 . 28 1 1 A 77 77 THR N N 77 116.415 115.974 0.441 1
1 989 . 28 1 1 A 78 78 MET H H 78 8.059 8.583 -0.524 1
1 990 . 28 1 1 A 78 78 MET HA H 78 3.771 3.946 -0.175 1
1 995 . 28 1 1 A 78 78 MET C C 78 172.927 178.641 -5.714 1
1 996 . 28 1 1 A 78 78 MET CA C 78 60.751 58.655 2.096 1
1 997 . 28 1 1 A 78 78 MET CB C 78 33.255 32.519 0.736 1
1 999 . 28 1 1 A 78 78 MET N N 78 120.960 118.357 2.603 1
1 1000 . 28 1 1 A 79 79 LEU H H 79 8.007 7.991 0.016 1
1 1001 . 28 1 1 A 79 79 LEU HA H 79 3.646 3.904 -0.258 1
1 1011 . 28 1 1 A 79 79 LEU C C 79 174.527 178.758 -4.231 1
1 1012 . 28 1 1 A 79 79 LEU CA C 79 59.756 57.691 2.065 1
1 1013 . 28 1 1 A 79 79 LEU CB C 79 42.961 41.168 1.793 1
1 1017 . 28 1 1 A 79 79 LEU N N 79 120.772 119.811 0.961 1
1 1018 . 28 1 1 A 80 80 CYS H H 80 8.268 7.844 0.424 1
1 1019 . 28 1 1 A 80 80 CYS HA H 80 3.344 3.137 0.207 1
1 1022 . 28 1 1 A 80 80 CYS C C 80 176.127 176.500 -0.373 1
1 1023 . 28 1 1 A 80 80 CYS CA C 80 64.083 62.300 1.783 1
1 1024 . 28 1 1 A 80 80 CYS CB C 80 28.199 26.536 1.663 1
1 1025 . 28 1 1 A 80 80 CYS N N 80 118.257 118.681 -0.424 1
1 1026 . 28 1 1 A 81 81 MET H H 81 7.600 8.012 -0.412 1
1 1027 . 28 1 1 A 81 81 MET HA H 81 3.242 4.074 -0.832 1
1 1035 . 28 1 1 A 81 81 MET C C 81 176.227 176.618 -0.391 1
1 1036 . 28 1 1 A 81 81 MET CA C 81 60.091 56.938 3.153 1
1 1037 . 28 1 1 A 81 81 MET CB C 81 34.090 31.376 2.714 1
1 1040 . 28 1 1 A 81 81 MET N N 81 114.515 118.135 -3.620 1
1 1041 . 28 1 1 A 82 82 ALA H H 82 7.299 7.537 -0.238 1
1 1042 . 28 1 1 A 82 82 ALA HA H 82 4.121 4.292 -0.171 1
1 1046 . 28 1 1 A 82 82 ALA C C 82 173.827 177.683 -3.856 1
1 1047 . 28 1 1 A 82 82 ALA CA C 82 54.930 52.752 2.178 1
1 1048 . 28 1 1 A 82 82 ALA CB C 82 20.641 19.293 1.348 1
1 1049 . 28 1 1 A 82 82 ALA N N 82 118.977 122.331 -3.354 1
1 1050 . 28 1 1 A 83 83 TYR H H 83 7.623 7.526 0.097 1
1 1051 . 28 1 1 A 83 83 TYR HA H 83 4.771 4.932 -0.161 1
1 1058 . 28 1 1 A 83 83 TYR CA C 83 59.333 57.544 1.789 1
1 1059 . 28 1 1 A 83 83 TYR CB C 83 41.599 40.700 0.899 1
1 1060 . 28 1 1 A 83 83 TYR N N 83 113.311 113.913 -0.602 1
1 1061 . 28 1 1 A 84 84 ASN HA H 84 4.534 4.953 -0.419 1
1 1064 . 28 1 1 A 84 84 ASN CA C 84 56.126 53.611 2.515 1
1 1065 . 28 1 1 A 84 84 ASN CB C 84 41.990 38.509 3.481 1
1 1066 . 28 1 1 A 85 85 ASP H H 85 8.681 9.078 -0.397 1
1 1067 . 28 1 1 A 85 85 ASP HA H 85 4.086 4.783 -0.697 1
1 1070 . 28 1 1 A 85 85 ASP CA C 85 58.457 55.156 3.301 1
1 1071 . 28 1 1 A 85 85 ASP CB C 85 42.260 43.690 -1.430 1
1 1072 . 28 1 1 A 85 85 ASP N N 85 126.079 127.094 -1.015 1
1 1073 . 28 1 1 A 86 86 PHE H H 86 8.672 8.399 0.273 1
1 1074 . 28 1 1 A 86 86 PHE HA H 86 3.744 4.535 -0.791 1
1 1081 . 28 1 1 A 86 86 PHE C C 86 176.827 176.717 0.110 1
1 1082 . 28 1 1 A 86 86 PHE CA C 86 62.903 59.390 3.513 1
1 1083 . 28 1 1 A 86 86 PHE CB C 86 41.596 37.944 3.652 1
1 1084 . 28 1 1 A 86 86 PHE N N 86 121.950 118.805 3.145 1
1 1085 . 28 1 1 A 87 87 PHE H H 87 7.225 8.040 -0.815 1
1 1086 . 28 1 1 A 87 87 PHE HA H 87 3.836 4.927 -1.091 1
1 1093 . 28 1 1 A 87 87 PHE C C 87 176.927 176.426 0.501 1
1 1094 . 28 1 1 A 87 87 PHE CA C 87 60.422 57.651 2.771 1
1 1095 . 28 1 1 A 87 87 PHE CB C 87 41.081 40.110 0.971 1
1 1096 . 28 1 1 A 87 87 PHE N N 87 110.928 117.753 -6.825 1
1 1097 . 28 1 1 A 88 88 LEU H H 88 7.130 7.816 -0.686 1
1 1098 . 28 1 1 A 88 88 LEU HA H 88 4.169 4.264 -0.095 1
1 1108 . 28 1 1 A 88 88 LEU C C 88 175.027 177.443 -2.416 1
1 1109 . 28 1 1 A 88 88 LEU CA C 88 56.962 56.768 0.194 1
1 1110 . 28 1 1 A 88 88 LEU CB C 88 44.199 41.977 2.222 1
1 1114 . 28 1 1 A 88 88 LEU N N 88 119.732 120.474 -0.742 1
1 1115 . 28 1 1 A 89 89 GLU H H 89 8.097 7.820 0.277 1
1 1116 . 28 1 1 A 89 89 GLU HA H 89 4.087 3.936 0.151 1
1 1121 . 28 1 1 A 89 89 GLU C C 89 176.427 174.762 1.665 1
1 1122 . 28 1 1 A 89 89 GLU CA C 89 58.216 57.901 0.315 1
1 1123 . 28 1 1 A 89 89 GLU CB C 89 32.309 28.855 3.454 1
1 1125 . 28 1 1 A 89 89 GLU N N 89 121.626 118.720 2.906 1
1 1126 . 28 1 1 A 90 90 ASP H H 90 8.243 7.816 0.427 1
1 1127 . 28 1 1 A 90 90 ASP HA H 90 4.425 5.020 -0.595 1
1 1130 . 28 1 1 A 90 90 ASP C C 90 176.527 174.781 1.746 1
1 1131 . 28 1 1 A 90 90 ASP CA C 90 55.815 54.209 1.606 1
1 1132 . 28 1 1 A 90 90 ASP CB C 90 42.874 43.524 -0.650 1
1 1133 . 28 1 1 A 90 90 ASP N N 90 121.280 119.238 2.042 1
1 1134 . 28 1 1 A 91 91 ASN H H 91 8.267 8.906 -0.639 1
1 1135 . 28 1 1 A 91 91 ASN HA H 91 4.563 4.773 -0.210 1
1 1140 . 28 1 1 A 91 91 ASN C C 91 178.127 173.806 4.321 1
1 1141 . 28 1 1 A 91 91 ASN CA C 91 54.928 54.600 0.328 1
1 1142 . 28 1 1 A 91 91 ASN CB C 91 40.529 38.478 2.051 1
1 1143 . 28 1 1 A 91 91 ASN N N 91 119.209 123.407 -4.198 1
1 14 . 29 1 1 A 2 2 GLU H H 2 8.722 8.544 0.178 1
1 15 . 29 1 1 A 2 2 GLU HA H 2 4.557 4.483 0.074 1
1 20 . 29 1 1 A 2 2 GLU C C 2 175.827 176.155 -0.328 1
1 21 . 29 1 1 A 2 2 GLU CA C 2 58.063 56.460 1.603 1
1 22 . 29 1 1 A 2 2 GLU CB C 2 33.147 29.957 3.190 1
1 24 . 29 1 1 A 2 2 GLU N N 2 124.627 121.354 3.273 1
1 25 . 29 1 1 A 3 3 THR H H 3 8.670 7.769 0.901 1
1 26 . 29 1 1 A 3 3 THR HA H 3 4.616 5.030 -0.414 1
1 31 . 29 1 1 A 3 3 THR CA C 3 61.734 58.875 2.859 1
1 32 . 29 1 1 A 3 3 THR CB C 3 70.590 71.422 -0.832 1
1 34 . 29 1 1 A 3 3 THR N N 3 116.274 117.824 -1.550 1
1 35 . 29 1 1 A 4 4 PRO HA H 4 4.161 4.454 -0.293 1
1 42 . 29 1 1 A 4 4 PRO C C 4 172.227 177.477 -5.250 1
1 43 . 29 1 1 A 4 4 PRO CA C 4 68.211 64.480 3.731 1
1 44 . 29 1 1 A 4 4 PRO CB C 4 33.796 31.965 1.831 1
1 47 . 29 1 1 A 5 5 LEU H H 5 9.207 7.656 1.551 1
1 48 . 29 1 1 A 5 5 LEU HA H 5 4.038 4.054 -0.016 1
1 58 . 29 1 1 A 5 5 LEU C C 5 174.327 178.068 -3.741 1
1 59 . 29 1 1 A 5 5 LEU CA C 5 59.483 57.298 2.185 1
1 60 . 29 1 1 A 5 5 LEU CB C 5 43.877 41.620 2.257 1
1 64 . 29 1 1 A 5 5 LEU N N 5 119.157 119.485 -0.328 1
1 65 . 29 1 1 A 6 6 GLU H H 6 7.661 8.154 -0.493 1
1 66 . 29 1 1 A 6 6 GLU HA H 6 3.755 3.901 -0.146 1
1 71 . 29 1 1 A 6 6 GLU C C 6 172.727 179.051 -6.324 1
1 72 . 29 1 1 A 6 6 GLU CA C 6 61.953 59.753 2.200 1
1 73 . 29 1 1 A 6 6 GLU CB C 6 31.354 29.135 2.219 1
1 75 . 29 1 1 A 6 6 GLU N N 6 119.837 119.262 0.575 1
1 76 . 29 1 1 A 7 7 LYS H H 7 8.430 8.190 0.240 1
1 77 . 29 1 1 A 7 7 LYS HA H 7 3.921 4.108 -0.187 1
1 86 . 29 1 1 A 7 7 LYS C C 7 172.927 179.181 -6.254 1
1 87 . 29 1 1 A 7 7 LYS CA C 7 61.312 59.097 2.215 1
1 88 . 29 1 1 A 7 7 LYS CB C 7 33.861 31.837 2.024 1
1 92 . 29 1 1 A 7 7 LYS N N 7 119.023 119.162 -0.139 1
1 93 . 29 1 1 A 8 8 ALA H H 8 8.079 7.844 0.235 1
1 94 . 29 1 1 A 8 8 ALA HA H 8 4.085 4.068 0.017 1
1 98 . 29 1 1 A 8 8 ALA C C 8 173.027 180.036 -7.009 1
1 99 . 29 1 1 A 8 8 ALA CA C 8 56.967 54.919 2.048 1
1 100 . 29 1 1 A 8 8 ALA CB C 8 20.140 18.414 1.726 1
1 101 . 29 1 1 A 8 8 ALA N N 8 123.824 122.765 1.059 1
1 102 . 29 1 1 A 9 9 LEU H H 9 8.032 8.379 -0.347 1
1 103 . 29 1 1 A 9 9 LEU HA H 9 4.061 4.011 0.050 1
1 113 . 29 1 1 A 9 9 LEU C C 9 172.527 179.203 -6.676 1
1 114 . 29 1 1 A 9 9 LEU CA C 9 60.071 58.069 2.002 1
1 115 . 29 1 1 A 9 9 LEU CB C 9 42.714 41.877 0.837 1
1 119 . 29 1 1 A 9 9 LEU N N 9 118.643 118.191 0.452 1
1 120 . 29 1 1 A 10 10 THR H H 10 8.686 8.105 0.581 1
1 121 . 29 1 1 A 10 10 THR HA H 10 3.798 3.956 -0.158 1
1 126 . 29 1 1 A 10 10 THR C C 10 175.127 176.694 -1.567 1
1 127 . 29 1 1 A 10 10 THR CA C 10 69.282 66.537 2.745 1
1 128 . 29 1 1 A 10 10 THR CB C 10 70.132 68.596 1.536 1
1 130 . 29 1 1 A 10 10 THR N N 10 117.087 115.740 1.347 1
1 131 . 29 1 1 A 11 11 THR H H 11 8.628 8.184 0.444 1
1 132 . 29 1 1 A 11 11 THR HA H 11 3.961 3.943 0.018 1
1 137 . 29 1 1 A 11 11 THR C C 11 174.427 176.650 -2.223 1
1 138 . 29 1 1 A 11 11 THR CA C 11 68.408 66.723 1.685 1
1 139 . 29 1 1 A 11 11 THR CB C 11 69.107 68.105 1.002 1
1 141 . 29 1 1 A 11 11 THR N N 11 120.770 117.110 3.660 1
1 142 . 29 1 1 A 12 12 MET H H 12 8.390 8.488 -0.098 1
1 143 . 29 1 1 A 12 12 MET HA H 12 3.956 4.408 -0.452 1
1 151 . 29 1 1 A 12 12 MET C C 12 175.127 178.479 -3.352 1
1 152 . 29 1 1 A 12 12 MET CA C 12 62.750 57.142 5.608 1
1 153 . 29 1 1 A 12 12 MET CB C 12 34.952 32.429 2.523 1
1 156 . 29 1 1 A 12 12 MET N N 12 124.388 119.024 5.364 1
1 157 . 29 1 1 A 13 13 VAL H H 13 8.104 8.605 -0.501 1
1 158 . 29 1 1 A 13 13 VAL HA H 13 3.576 4.262 -0.686 1
1 166 . 29 1 1 A 13 13 VAL C C 13 175.327 178.180 -2.853 1
1 167 . 29 1 1 A 13 13 VAL CA C 13 68.958 66.194 2.764 1
1 168 . 29 1 1 A 13 13 VAL CB C 13 33.703 31.445 2.258 1
1 171 . 29 1 1 A 13 13 VAL N N 13 121.753 117.010 4.743 1
1 172 . 29 1 1 A 14 14 THR H H 14 9.186 8.175 1.011 1
1 173 . 29 1 1 A 14 14 THR HA H 14 3.774 4.073 -0.299 1
1 178 . 29 1 1 A 14 14 THR C C 14 173.927 177.040 -3.113 1
1 179 . 29 1 1 A 14 14 THR CA C 14 67.955 66.347 1.608 1
1 180 . 29 1 1 A 14 14 THR CB C 14 70.504 68.844 1.660 1
1 182 . 29 1 1 A 14 14 THR N N 14 114.911 116.388 -1.477 1
1 183 . 29 1 1 A 15 15 THR H H 15 8.453 8.325 0.128 1
1 184 . 29 1 1 A 15 15 THR HA H 15 3.859 4.236 -0.377 1
1 190 . 29 1 1 A 15 15 THR C C 15 178.127 176.727 1.400 1
1 191 . 29 1 1 A 15 15 THR CA C 15 69.609 65.880 3.729 1
1 192 . 29 1 1 A 15 15 THR CB C 15 70.511 68.168 2.343 1
1 194 . 29 1 1 A 15 15 THR N N 15 118.791 111.462 7.329 1
1 195 . 29 1 1 A 16 16 PHE H H 16 7.207 8.388 -1.181 1
1 196 . 29 1 1 A 16 16 PHE HA H 16 3.572 4.016 -0.444 1
1 203 . 29 1 1 A 16 16 PHE C C 16 178.527 177.402 1.125 1
1 204 . 29 1 1 A 16 16 PHE CA C 16 64.090 61.330 2.760 1
1 205 . 29 1 1 A 16 16 PHE CB C 16 41.091 38.857 2.234 1
1 206 . 29 1 1 A 16 16 PHE N N 16 121.331 124.256 -2.925 1
1 207 . 29 1 1 A 17 17 HIS H H 17 8.393 8.453 -0.060 1
1 208 . 29 1 1 A 17 17 HIS HA H 17 5.329 4.138 1.191 1
1 211 . 29 1 1 A 17 17 HIS C C 17 174.627 177.429 -2.802 1
1 212 . 29 1 1 A 17 17 HIS CA C 17 56.667 60.221 -3.554 1
1 213 . 29 1 1 A 17 17 HIS CB C 17 32.397 29.981 2.416 1
1 214 . 29 1 1 A 17 17 HIS N N 17 117.858 119.008 -1.150 1
1 215 . 29 1 1 A 18 18 LYS H H 18 7.767 7.689 0.078 1
1 216 . 29 1 1 A 18 18 LYS HA H 18 3.553 3.925 -0.372 1
1 225 . 29 1 1 A 18 18 LYS C C 18 175.527 175.936 -0.409 1
1 226 . 29 1 1 A 18 18 LYS CA C 18 61.301 58.326 2.975 1
1 227 . 29 1 1 A 18 18 LYS CB C 18 33.523 32.432 1.091 1
1 231 . 29 1 1 A 18 18 LYS N N 18 120.691 118.280 2.411 1
1 232 . 29 1 1 A 19 19 TYR H H 19 7.079 7.699 -0.620 1
1 233 . 29 1 1 A 19 19 TYR HA H 19 3.993 4.955 -0.962 1
1 240 . 29 1 1 A 19 19 TYR C C 19 174.227 174.760 -0.533 1
1 241 . 29 1 1 A 19 19 TYR CA C 19 61.287 56.042 5.245 1
1 242 . 29 1 1 A 19 19 TYR CB C 19 42.066 39.400 2.666 1
1 243 . 29 1 1 A 19 19 TYR N N 19 114.592 117.048 -2.456 1
1 244 . 29 1 1 A 20 20 SER H H 20 9.708 8.967 0.741 1
1 245 . 29 1 1 A 20 20 SER HA H 20 4.117 4.418 -0.301 1
1 248 . 29 1 1 A 20 20 SER C C 20 175.227 174.950 0.277 1
1 249 . 29 1 1 A 20 20 SER CA C 20 60.135 59.048 1.087 1
1 250 . 29 1 1 A 20 20 SER CB C 20 63.159 65.434 -2.275 1
1 251 . 29 1 1 A 20 20 SER N N 20 121.764 117.173 4.591 1
1 252 . 29 1 1 A 21 21 GLY H H 21 8.146 7.834 0.312 1
1 253 . 29 1 1 A 21 21 GLY HA2 H 21 3.956 3.747 0.209 1
1 254 . 29 1 1 A 21 21 GLY HA3 H 21 3.571 3.798 -0.227 1
1 255 . 29 1 1 A 21 21 GLY C C 21 177.927 174.440 3.487 1
1 256 . 29 1 1 A 21 21 GLY CA C 21 46.646 45.298 1.348 1
1 257 . 29 1 1 A 21 21 GLY N N 21 106.982 108.764 -1.782 1
1 258 . 29 1 1 A 22 22 ARG H H 22 7.007 7.764 -0.757 1
1 259 . 29 1 1 A 22 22 ARG HA H 22 3.815 4.568 -0.753 1
1 266 . 29 1 1 A 22 22 ARG C C 22 175.927 176.143 -0.216 1
1 267 . 29 1 1 A 22 22 ARG CA C 22 60.766 55.066 5.700 1
1 268 . 29 1 1 A 22 22 ARG CB C 22 32.302 30.696 1.606 1
1 271 . 29 1 1 A 22 22 ARG N N 22 118.055 117.523 0.532 1
1 272 . 29 1 1 A 23 23 GLU H H 23 7.551 7.690 -0.139 1
1 273 . 29 1 1 A 23 23 GLU HA H 23 4.436 4.548 -0.112 1
1 278 . 29 1 1 A 23 23 GLU C C 23 177.727 176.244 1.483 1
1 279 . 29 1 1 A 23 23 GLU CA C 23 56.853 56.969 -0.116 1
1 280 . 29 1 1 A 23 23 GLU CB C 23 33.988 32.523 1.465 1
1 282 . 29 1 1 A 23 23 GLU N N 23 114.631 117.809 -3.178 1
1 283 . 29 1 1 A 24 24 GLY H H 24 8.376 7.343 1.033 1
1 284 . 29 1 1 A 24 24 GLY HA2 H 24 3.771 3.965 -0.194 1
1 285 . 29 1 1 A 24 24 GLY HA3 H 24 3.567 4.059 -0.492 1
1 286 . 29 1 1 A 24 24 GLY C C 24 177.127 172.355 4.772 1
1 287 . 29 1 1 A 24 24 GLY CA C 24 47.718 46.153 1.565 1
1 288 . 29 1 1 A 24 24 GLY N N 24 107.626 105.110 2.516 1
1 289 . 29 1 1 A 25 25 SER H H 25 8.443 8.207 0.236 1
1 290 . 29 1 1 A 25 25 SER HA H 25 4.314 4.420 -0.106 1
1 293 . 29 1 1 A 25 25 SER C C 25 175.527 175.436 0.091 1
1 294 . 29 1 1 A 25 25 SER CA C 25 59.146 58.489 0.657 1
1 295 . 29 1 1 A 25 25 SER CB C 25 65.573 63.876 1.697 1
1 296 . 29 1 1 A 25 25 SER N N 25 119.000 120.181 -1.181 1
1 297 . 29 1 1 A 26 26 LYS H H 26 8.821 9.208 -0.387 1
1 298 . 29 1 1 A 26 26 LYS HA H 26 4.307 4.199 0.108 1
1 307 . 29 1 1 A 26 26 LYS C C 26 176.027 177.594 -1.567 1
1 308 . 29 1 1 A 26 26 LYS CA C 26 59.180 58.019 1.161 1
1 309 . 29 1 1 A 26 26 LYS CB C 26 33.211 32.263 0.948 1
1 313 . 29 1 1 A 26 26 LYS N N 26 126.125 129.815 -3.690 1
1 314 . 29 1 1 A 27 27 LEU H H 27 8.237 7.765 0.472 1
1 315 . 29 1 1 A 27 27 LEU HA H 27 4.534 4.977 -0.443 1
1 325 . 29 1 1 A 27 27 LEU C C 27 175.627 175.842 -0.215 1
1 326 . 29 1 1 A 27 27 LEU CA C 27 56.384 54.700 1.684 1
1 327 . 29 1 1 A 27 27 LEU CB C 27 44.218 43.857 0.361 1
1 331 . 29 1 1 A 27 27 LEU N N 27 117.484 113.440 4.044 1
1 332 . 29 1 1 A 28 28 THR H H 28 7.386 7.831 -0.445 1
1 333 . 29 1 1 A 28 28 THR HA H 28 5.517 5.340 0.177 1
1 338 . 29 1 1 A 28 28 THR C C 28 180.227 172.449 7.778 1
1 339 . 29 1 1 A 28 28 THR CA C 28 61.014 60.390 0.624 1
1 340 . 29 1 1 A 28 28 THR CB C 28 75.348 72.683 2.665 1
1 342 . 29 1 1 A 28 28 THR N N 28 106.230 109.874 -3.644 1
1 343 . 29 1 1 A 29 29 LEU H H 29 8.721 8.696 0.025 1
1 344 . 29 1 1 A 29 29 LEU HA H 29 4.713 4.851 -0.138 1
1 354 . 29 1 1 A 29 29 LEU C C 29 176.927 174.570 2.357 1
1 355 . 29 1 1 A 29 29 LEU CA C 29 55.163 53.663 1.500 1
1 356 . 29 1 1 A 29 29 LEU CB C 29 46.059 44.713 1.346 1
1 360 . 29 1 1 A 29 29 LEU N N 29 116.728 118.159 -1.431 1
1 361 . 29 1 1 A 30 30 SER H H 30 8.866 8.560 0.306 1
1 362 . 29 1 1 A 30 30 SER HA H 30 4.942 4.947 -0.005 1
1 365 . 29 1 1 A 30 30 SER C C 30 176.327 175.710 0.617 1
1 366 . 29 1 1 A 30 30 SER CA C 30 59.032 57.408 1.624 1
1 367 . 29 1 1 A 30 30 SER CB C 30 67.150 64.302 2.848 1
1 368 . 29 1 1 A 30 30 SER N N 30 117.110 116.307 0.803 1
1 369 . 29 1 1 A 31 31 ARG H H 31 8.393 8.670 -0.277 1
1 370 . 29 1 1 A 31 31 ARG HA H 31 3.695 3.888 -0.193 1
1 377 . 29 1 1 A 31 31 ARG C C 31 174.127 178.166 -4.039 1
1 378 . 29 1 1 A 31 31 ARG CA C 31 62.776 59.877 2.899 1
1 379 . 29 1 1 A 31 31 ARG CB C 31 31.601 29.870 1.731 1
1 382 . 29 1 1 A 31 31 ARG N N 31 121.109 127.398 -6.289 1
1 383 . 29 1 1 A 32 32 LYS H H 32 8.264 7.783 0.481 1
1 384 . 29 1 1 A 32 32 LYS HA H 32 3.912 3.943 -0.031 1
1 393 . 29 1 1 A 32 32 LYS C C 32 172.827 179.700 -6.873 1
1 394 . 29 1 1 A 32 32 LYS CA C 32 61.591 59.828 1.763 1
1 395 . 29 1 1 A 32 32 LYS CB C 32 34.116 32.200 1.916 1
1 399 . 29 1 1 A 32 32 LYS N N 32 118.536 119.744 -1.208 1
1 400 . 29 1 1 A 33 33 GLU H H 33 7.790 7.784 0.006 1
1 401 . 29 1 1 A 33 33 GLU HA H 33 4.049 4.009 0.040 1
1 406 . 29 1 1 A 33 33 GLU C C 33 174.327 178.888 -4.561 1
1 407 . 29 1 1 A 33 33 GLU CA C 33 60.634 59.016 1.618 1
1 408 . 29 1 1 A 33 33 GLU CB C 33 31.617 29.531 2.086 1
1 410 . 29 1 1 A 33 33 GLU N N 33 121.557 119.624 1.933 1
1 411 . 29 1 1 A 34 34 LEU H H 34 8.388 7.769 0.619 1
1 412 . 29 1 1 A 34 34 LEU HA H 34 3.844 3.916 -0.072 1
1 422 . 29 1 1 A 34 34 LEU C C 34 174.927 178.528 -3.601 1
1 423 . 29 1 1 A 34 34 LEU CA C 34 59.173 57.824 1.349 1
1 424 . 29 1 1 A 34 34 LEU CB C 34 42.053 41.413 0.640 1
1 428 . 29 1 1 A 34 34 LEU N N 34 120.999 121.583 -0.584 1
1 429 . 29 1 1 A 35 35 LYS H H 35 7.817 7.641 0.176 1
1 430 . 29 1 1 A 35 35 LYS HA H 35 3.478 3.794 -0.316 1
1 439 . 29 1 1 A 35 35 LYS C C 35 174.627 178.683 -4.056 1
1 440 . 29 1 1 A 35 35 LYS CA C 35 62.312 59.547 2.765 1
1 441 . 29 1 1 A 35 35 LYS CB C 35 33.814 32.474 1.340 1
1 445 . 29 1 1 A 35 35 LYS N N 35 118.738 118.620 0.118 1
1 446 . 29 1 1 A 36 36 GLU H H 36 7.208 7.738 -0.530 1
1 447 . 29 1 1 A 36 36 GLU HA H 36 3.801 4.136 -0.335 1
1 452 . 29 1 1 A 36 36 GLU C C 36 175.227 178.792 -3.565 1
1 453 . 29 1 1 A 36 36 GLU CA C 36 61.015 58.819 2.196 1
1 454 . 29 1 1 A 36 36 GLU CB C 36 30.770 29.266 1.504 1
1 456 . 29 1 1 A 36 36 GLU N N 36 118.771 118.927 -0.156 1
1 457 . 29 1 1 A 37 37 LEU H H 37 8.038 8.146 -0.108 1
1 458 . 29 1 1 A 37 37 LEU HA H 37 3.178 3.518 -0.340 1
1 468 . 29 1 1 A 37 37 LEU C C 37 172.927 178.604 -5.677 1
1 469 . 29 1 1 A 37 37 LEU CA C 37 60.915 57.676 3.239 1
1 470 . 29 1 1 A 37 37 LEU CB C 37 43.352 41.136 2.216 1
1 474 . 29 1 1 A 37 37 LEU N N 37 121.767 120.713 1.054 1
1 475 . 29 1 1 A 38 38 ILE H H 38 8.224 7.555 0.669 1
1 476 . 29 1 1 A 38 38 ILE HA H 38 3.234 3.891 -0.657 1
1 486 . 29 1 1 A 38 38 ILE C C 38 174.727 177.071 -2.344 1
1 487 . 29 1 1 A 38 38 ILE CA C 38 66.464 63.247 3.217 1
1 488 . 29 1 1 A 38 38 ILE CB C 38 38.799 37.675 1.124 1
1 492 . 29 1 1 A 38 38 ILE N N 38 119.417 119.199 0.218 1
1 493 . 29 1 1 A 39 39 LYS H H 39 7.700 7.715 -0.015 1
1 494 . 29 1 1 A 39 39 LYS HA H 39 3.894 4.268 -0.374 1
1 503 . 29 1 1 A 39 39 LYS C C 39 173.727 177.374 -3.647 1
1 504 . 29 1 1 A 39 39 LYS CA C 39 61.015 57.192 3.823 1
1 505 . 29 1 1 A 39 39 LYS CB C 39 34.100 32.562 1.538 1
1 509 . 29 1 1 A 39 39 LYS N N 39 117.277 121.780 -4.503 1
1 510 . 29 1 1 A 40 40 LYS H H 40 8.170 7.710 0.460 1
1 511 . 29 1 1 A 40 40 LYS HA H 40 4.226 4.331 -0.105 1
1 520 . 29 1 1 A 40 40 LYS C C 40 173.427 178.160 -4.733 1
1 521 . 29 1 1 A 40 40 LYS CA C 40 59.251 57.958 1.293 1
1 522 . 29 1 1 A 40 40 LYS CB C 40 35.528 33.816 1.712 1
1 526 . 29 1 1 A 40 40 LYS N N 40 115.146 118.453 -3.307 1
1 527 . 29 1 1 A 41 41 GLU H H 41 8.778 8.395 0.383 1
1 528 . 29 1 1 A 41 41 GLU HA H 41 4.629 4.573 0.056 1
1 533 . 29 1 1 A 41 41 GLU C C 41 175.527 175.279 0.248 1
1 534 . 29 1 1 A 41 41 GLU CA C 41 57.177 55.782 1.395 1
1 535 . 29 1 1 A 41 41 GLU CB C 41 31.656 31.477 0.179 1
1 537 . 29 1 1 A 41 41 GLU N N 41 113.604 115.525 -1.921 1
1 538 . 29 1 1 A 42 42 LEU H H 42 7.610 7.304 0.306 1
1 539 . 29 1 1 A 42 42 LEU HA H 42 4.475 4.887 -0.412 1
1 549 . 29 1 1 A 42 42 LEU C C 42 177.227 175.089 2.138 1
1 550 . 29 1 1 A 42 42 LEU CA C 42 56.047 53.513 2.534 1
1 551 . 29 1 1 A 42 42 LEU CB C 42 45.748 45.177 0.571 1
1 555 . 29 1 1 A 42 42 LEU N N 42 118.997 121.781 -2.784 1
1 556 . 29 1 1 A 43 43 CYS H H 43 8.501 8.747 -0.246 1
1 557 . 29 1 1 A 43 43 CYS HA H 43 4.397 5.145 -0.748 1
1 560 . 29 1 1 A 43 43 CYS C C 43 177.327 173.410 3.917 1
1 561 . 29 1 1 A 43 43 CYS CA C 43 60.023 57.962 2.061 1
1 562 . 29 1 1 A 43 43 CYS CB C 43 27.915 30.741 -2.826 1
1 563 . 29 1 1 A 43 43 CYS N N 43 119.622 120.157 -0.535 1
1 564 . 29 1 1 A 44 44 LEU H H 44 8.200 8.997 -0.797 1
1 565 . 29 1 1 A 44 44 LEU HA H 44 3.979 4.727 -0.748 1
1 575 . 29 1 1 A 44 44 LEU C C 44 173.927 177.626 -3.699 1
1 576 . 29 1 1 A 44 44 LEU CA C 44 57.244 54.295 2.949 1
1 577 . 29 1 1 A 44 44 LEU CB C 44 43.622 43.608 0.014 1
1 581 . 29 1 1 A 44 44 LEU N N 44 121.955 128.461 -6.506 1
1 582 . 29 1 1 A 45 45 GLY H H 45 8.244 8.189 0.055 1
1 583 . 29 1 1 A 45 45 GLY HA2 H 45 3.849 3.819 0.030 1
1 584 . 29 1 1 A 45 45 GLY HA3 H 45 3.789 3.927 -0.138 1
1 585 . 29 1 1 A 45 45 GLY C C 45 178.027 174.877 3.150 1
1 586 . 29 1 1 A 45 45 GLY CA C 45 47.023 45.453 1.570 1
1 587 . 29 1 1 A 45 45 GLY N N 45 107.702 108.530 -0.828 1
1 588 . 29 1 1 A 46 46 GLU H H 46 8.286 7.972 0.314 1
1 589 . 29 1 1 A 46 46 GLU HA H 46 4.039 4.601 -0.562 1
1 594 . 29 1 1 A 46 46 GLU C C 46 175.127 177.641 -2.514 1
1 595 . 29 1 1 A 46 46 GLU CA C 46 59.176 57.106 2.070 1
1 596 . 29 1 1 A 46 46 GLU CB C 46 31.361 31.779 -0.418 1
1 598 . 29 1 1 A 46 46 GLU N N 46 119.602 117.002 2.600 1
1 599 . 29 1 1 A 47 47 MET H H 47 8.048 8.031 0.017 1
1 600 . 29 1 1 A 47 47 MET HA H 47 4.229 4.465 -0.236 1
1 608 . 29 1 1 A 47 47 MET C C 47 175.727 175.919 -0.192 1
1 609 . 29 1 1 A 47 47 MET CA C 47 58.183 57.747 0.436 1
1 610 . 29 1 1 A 47 47 MET CB C 47 34.087 33.961 0.126 1
1 613 . 29 1 1 A 47 47 MET N N 47 119.617 117.455 2.162 1
1 614 . 29 1 1 A 48 48 LYS H H 48 8.221 7.280 0.941 1
1 615 . 29 1 1 A 48 48 LYS HA H 48 4.217 4.682 -0.465 1
1 624 . 29 1 1 A 48 48 LYS C C 48 174.927 175.726 -0.799 1
1 625 . 29 1 1 A 48 48 LYS CA C 48 58.304 54.846 3.458 1
1 626 . 29 1 1 A 48 48 LYS CB C 48 34.548 35.635 -1.087 1
1 630 . 29 1 1 A 48 48 LYS N N 48 120.987 117.709 3.278 1
1 631 . 29 1 1 A 49 49 GLU H H 49 8.346 8.579 -0.233 1
1 632 . 29 1 1 A 49 49 GLU HA H 49 3.922 4.569 -0.647 1
1 637 . 29 1 1 A 49 49 GLU C C 49 174.427 176.241 -1.814 1
1 638 . 29 1 1 A 49 49 GLU CA C 49 60.298 56.965 3.333 1
1 639 . 29 1 1 A 49 49 GLU CB C 49 31.065 31.356 -0.291 1
1 641 . 29 1 1 A 49 49 GLU N N 49 121.867 119.358 2.509 1
1 642 . 29 1 1 A 50 50 SER H H 50 8.348 7.920 0.428 1
1 643 . 29 1 1 A 50 50 SER HA H 50 4.172 4.622 -0.450 1
1 647 . 29 1 1 A 50 50 SER C C 50 176.027 174.748 1.279 1
1 648 . 29 1 1 A 50 50 SER CA C 50 62.548 57.006 5.542 1
1 649 . 29 1 1 A 50 50 SER CB C 50 64.840 64.940 -0.100 1
1 650 . 29 1 1 A 50 50 SER N N 50 115.695 113.339 2.356 1
1 651 . 29 1 1 A 51 51 SER H H 51 7.980 8.981 -1.001 1
1 652 . 29 1 1 A 51 51 SER HA H 51 4.258 4.382 -0.124 1
1 655 . 29 1 1 A 51 51 SER C C 51 174.427 174.847 -0.420 1
1 656 . 29 1 1 A 51 51 SER CA C 51 62.828 60.059 2.769 1
1 657 . 29 1 1 A 51 51 SER CB C 51 64.749 62.859 1.890 1
1 658 . 29 1 1 A 51 51 SER N N 51 117.126 115.507 1.619 1
1 659 . 29 1 1 A 52 52 ILE H H 52 7.365 8.543 -1.178 1
1 660 . 29 1 1 A 52 52 ILE HA H 52 4.038 3.797 0.241 1
1 670 . 29 1 1 A 52 52 ILE C C 52 175.627 177.837 -2.210 1
1 671 . 29 1 1 A 52 52 ILE CA C 52 64.609 64.633 -0.024 1
1 672 . 29 1 1 A 52 52 ILE CB C 52 39.272 37.290 1.982 1
1 676 . 29 1 1 A 52 52 ILE N N 52 117.484 118.829 -1.345 1
1 677 . 29 1 1 A 53 53 ASP H H 53 7.681 7.954 -0.273 1
1 678 . 29 1 1 A 53 53 ASP HA H 53 4.214 4.261 -0.047 1
1 681 . 29 1 1 A 53 53 ASP C C 53 174.027 178.572 -4.545 1
1 682 . 29 1 1 A 53 53 ASP CA C 53 59.799 57.853 1.946 1
1 683 . 29 1 1 A 53 53 ASP CB C 53 42.927 41.944 0.983 1
1 684 . 29 1 1 A 53 53 ASP N N 53 121.969 121.300 0.669 1
1 685 . 29 1 1 A 54 54 ASP H H 54 8.227 8.168 0.059 1
1 686 . 29 1 1 A 54 54 ASP HA H 54 4.231 4.407 -0.176 1
1 689 . 29 1 1 A 54 54 ASP C C 54 172.927 178.723 -5.796 1
1 690 . 29 1 1 A 54 54 ASP CA C 54 59.507 57.038 2.469 1
1 691 . 29 1 1 A 54 54 ASP CB C 54 41.818 41.077 0.741 1
1 692 . 29 1 1 A 54 54 ASP N N 54 118.083 119.313 -1.230 1
1 693 . 29 1 1 A 55 55 LEU H H 55 7.650 7.826 -0.176 1
1 694 . 29 1 1 A 55 55 LEU HA H 55 4.016 4.020 -0.004 1
1 704 . 29 1 1 A 55 55 LEU C C 55 171.927 179.562 -7.635 1
1 705 . 29 1 1 A 55 55 LEU CA C 55 59.965 58.062 1.903 1
1 706 . 29 1 1 A 55 55 LEU CB C 55 43.370 41.839 1.531 1
1 710 . 29 1 1 A 55 55 LEU N N 55 121.634 121.106 0.528 1
1 711 . 29 1 1 A 56 56 MET H H 56 8.429 8.264 0.165 1
1 712 . 29 1 1 A 56 56 MET HA H 56 4.325 4.257 0.068 1
1 720 . 29 1 1 A 56 56 MET C C 56 172.527 177.887 -5.360 1
1 721 . 29 1 1 A 56 56 MET CA C 56 59.221 58.458 0.763 1
1 722 . 29 1 1 A 56 56 MET CB C 56 34.106 31.942 2.164 1
1 725 . 29 1 1 A 56 56 MET N N 56 118.696 116.424 2.272 1
1 726 . 29 1 1 A 57 57 LYS H H 57 8.249 7.924 0.325 1
1 727 . 29 1 1 A 57 57 LYS HA H 57 3.996 4.297 -0.301 1
1 736 . 29 1 1 A 57 57 LYS C C 57 172.527 178.159 -5.632 1
1 737 . 29 1 1 A 57 57 LYS CA C 57 60.872 58.411 2.461 1
1 738 . 29 1 1 A 57 57 LYS CB C 57 33.853 32.768 1.085 1
1 742 . 29 1 1 A 57 57 LYS N N 57 119.855 120.363 -0.508 1
1 743 . 29 1 1 A 58 58 SER H H 58 7.729 8.089 -0.360 1
1 744 . 29 1 1 A 58 58 SER HA H 58 4.125 4.387 -0.262 1
1 747 . 29 1 1 A 58 58 SER C C 58 176.527 177.450 -0.923 1
1 748 . 29 1 1 A 58 58 SER CA C 58 63.029 61.175 1.854 1
1 749 . 29 1 1 A 58 58 SER CB C 58 64.686 62.924 1.762 1
1 750 . 29 1 1 A 58 58 SER N N 58 115.984 115.392 0.592 1
1 751 . 29 1 1 A 59 59 LEU H H 59 7.288 8.086 -0.798 1
1 752 . 29 1 1 A 59 59 LEU HA H 59 4.058 3.981 0.077 1
1 762 . 29 1 1 A 59 59 LEU C C 59 175.827 177.829 -2.002 1
1 763 . 29 1 1 A 59 59 LEU CA C 59 57.364 58.064 -0.700 1
1 764 . 29 1 1 A 59 59 LEU CB C 59 42.712 41.306 1.406 1
1 768 . 29 1 1 A 59 59 LEU N N 59 120.622 121.573 -0.951 1
1 769 . 29 1 1 A 60 60 ASP H H 60 7.431 8.157 -0.726 1
1 770 . 29 1 1 A 60 60 ASP HA H 60 4.386 4.568 -0.182 1
1 773 . 29 1 1 A 60 60 ASP C C 60 175.927 177.167 -1.240 1
1 774 . 29 1 1 A 60 60 ASP CA C 60 57.012 55.966 1.046 1
1 775 . 29 1 1 A 60 60 ASP CB C 60 42.351 40.409 1.942 1
1 776 . 29 1 1 A 60 60 ASP N N 60 116.755 117.559 -0.804 1
1 777 . 29 1 1 A 61 61 LYS H H 61 7.243 7.756 -0.513 1
1 778 . 29 1 1 A 61 61 LYS HA H 61 4.223 4.114 0.109 1
1 787 . 29 1 1 A 61 61 LYS C C 61 176.527 178.917 -2.390 1
1 788 . 29 1 1 A 61 61 LYS CA C 61 57.287 58.728 -1.441 1
1 789 . 29 1 1 A 61 61 LYS CB C 61 34.683 32.819 1.864 1
1 793 . 29 1 1 A 61 61 LYS N N 61 119.913 119.325 0.588 1
1 794 . 29 1 1 A 62 62 ASN H H 62 8.725 8.091 0.634 1
1 795 . 29 1 1 A 62 62 ASN HA H 62 4.462 4.593 -0.131 1
1 800 . 29 1 1 A 62 62 ASN C C 62 175.627 176.204 -0.577 1
1 801 . 29 1 1 A 62 62 ASN CA C 62 55.452 55.174 0.278 1
1 802 . 29 1 1 A 62 62 ASN CB C 62 39.336 38.999 0.337 1
1 803 . 29 1 1 A 62 62 ASN N N 62 120.247 117.995 2.252 1
1 805 . 29 1 1 A 63 63 SER H H 63 8.061 8.022 0.039 1
1 806 . 29 1 1 A 63 63 SER HA H 63 3.957 4.351 -0.394 1
1 809 . 29 1 1 A 63 63 SER C C 63 174.827 173.943 0.884 1
1 810 . 29 1 1 A 63 63 SER CA C 63 62.954 60.317 2.637 1
1 811 . 29 1 1 A 63 63 SER CB C 63 65.586 62.842 2.744 1
1 812 . 29 1 1 A 63 63 SER N N 63 113.249 113.854 -0.605 1
1 813 . 29 1 1 A 64 64 ASP H H 64 8.408 8.681 -0.273 1
1 814 . 29 1 1 A 64 64 ASP HA H 64 4.573 4.927 -0.354 1
1 817 . 29 1 1 A 64 64 ASP C C 64 176.027 174.237 1.790 1
1 818 . 29 1 1 A 64 64 ASP CA C 64 55.789 53.978 1.811 1
1 819 . 29 1 1 A 64 64 ASP CB C 64 42.365 40.975 1.390 1
1 820 . 29 1 1 A 64 64 ASP N N 64 117.587 119.330 -1.743 1
1 821 . 29 1 1 A 65 65 GLN H H 65 7.779 7.244 0.535 1
1 822 . 29 1 1 A 65 65 GLN HA H 65 4.026 4.789 -0.763 1
1 829 . 29 1 1 A 65 65 GLN C C 65 176.827 175.026 1.801 1
1 830 . 29 1 1 A 65 65 GLN CA C 65 58.241 54.479 3.762 1
1 831 . 29 1 1 A 65 65 GLN CB C 65 31.309 33.593 -2.284 1
1 833 . 29 1 1 A 65 65 GLN N N 65 121.059 116.486 4.573 1
1 835 . 29 1 1 A 66 66 GLU H H 66 8.365 8.549 -0.184 1
1 836 . 29 1 1 A 66 66 GLU HA H 66 4.320 5.000 -0.680 1
1 841 . 29 1 1 A 66 66 GLU C C 66 176.227 176.599 -0.372 1
1 842 . 29 1 1 A 66 66 GLU CA C 66 58.238 56.245 1.993 1
1 843 . 29 1 1 A 66 66 GLU CB C 66 32.567 30.876 1.691 1
1 845 . 29 1 1 A 66 66 GLU N N 66 123.061 121.423 1.638 1
1 846 . 29 1 1 A 67 67 ILE H H 67 9.350 9.258 0.092 1
1 847 . 29 1 1 A 67 67 ILE HA H 67 4.543 5.167 -0.624 1
1 857 . 29 1 1 A 67 67 ILE C C 67 178.127 174.788 3.339 1
1 858 . 29 1 1 A 67 67 ILE CA C 67 61.173 59.033 2.140 1
1 859 . 29 1 1 A 67 67 ILE CB C 67 41.460 42.032 -0.572 1
1 863 . 29 1 1 A 67 67 ILE N N 67 121.809 119.419 2.390 1
1 864 . 29 1 1 A 68 68 ASP H H 68 8.140 8.499 -0.359 1
1 865 . 29 1 1 A 68 68 ASP HA H 68 5.408 5.178 0.230 1
1 868 . 29 1 1 A 68 68 ASP C C 68 176.127 176.887 -0.760 1
1 869 . 29 1 1 A 68 68 ASP CA C 68 53.471 52.121 1.350 1
1 870 . 29 1 1 A 68 68 ASP CB C 68 43.898 42.504 1.394 1
1 871 . 29 1 1 A 68 68 ASP N N 68 122.626 121.512 1.114 1
1 872 . 29 1 1 A 69 69 PHE H H 69 9.486 8.989 0.497 1
1 873 . 29 1 1 A 69 69 PHE HA H 69 3.397 3.713 -0.316 1
1 880 . 29 1 1 A 69 69 PHE C C 69 174.727 177.904 -3.177 1
1 881 . 29 1 1 A 69 69 PHE CA C 69 63.764 61.629 2.135 1
1 882 . 29 1 1 A 69 69 PHE CB C 69 42.009 38.779 3.230 1
1 883 . 29 1 1 A 69 69 PHE N N 69 118.584 120.027 -1.443 1
1 884 . 29 1 1 A 70 70 LYS H H 70 7.510 8.650 -1.140 1
1 885 . 29 1 1 A 70 70 LYS HA H 70 3.633 4.210 -0.577 1
1 894 . 29 1 1 A 70 70 LYS C C 70 173.627 179.259 -5.632 1
1 895 . 29 1 1 A 70 70 LYS CA C 70 61.940 59.891 2.049 1
1 896 . 29 1 1 A 70 70 LYS CB C 70 33.189 32.244 0.945 1
1 900 . 29 1 1 A 70 70 LYS N N 70 117.327 120.914 -3.587 1
1 901 . 29 1 1 A 71 71 GLU H H 71 8.151 8.240 -0.089 1
1 902 . 29 1 1 A 71 71 GLU HA H 71 3.930 4.134 -0.204 1
1 907 . 29 1 1 A 71 71 GLU C C 71 173.127 178.776 -5.649 1
1 908 . 29 1 1 A 71 71 GLU CA C 71 61.000 59.436 1.564 1
1 909 . 29 1 1 A 71 71 GLU CB C 71 31.639 29.638 2.001 1
1 911 . 29 1 1 A 71 71 GLU N N 71 120.925 118.470 2.455 1
1 912 . 29 1 1 A 72 72 TYR H H 72 8.454 8.329 0.125 1
1 913 . 29 1 1 A 72 72 TYR HA H 72 4.047 4.295 -0.248 1
1 920 . 29 1 1 A 72 72 TYR C C 72 177.227 177.633 -0.406 1
1 921 . 29 1 1 A 72 72 TYR CA C 72 62.068 60.904 1.164 1
1 922 . 29 1 1 A 72 72 TYR CB C 72 39.522 38.689 0.833 1
1 923 . 29 1 1 A 72 72 TYR N N 72 123.271 122.466 0.805 1
1 924 . 29 1 1 A 73 73 SER H H 73 7.990 8.627 -0.637 1
1 925 . 29 1 1 A 73 73 SER HA H 73 3.245 4.129 -0.884 1
1 928 . 29 1 1 A 73 73 SER C C 73 174.327 176.607 -2.280 1
1 929 . 29 1 1 A 73 73 SER CA C 73 62.841 61.493 1.348 1
1 930 . 29 1 1 A 73 73 SER CB C 73 64.317 62.489 1.828 1
1 931 . 29 1 1 A 73 73 SER N N 73 115.432 114.596 0.836 1
1 932 . 29 1 1 A 74 74 VAL H H 74 8.112 8.359 -0.247 1
1 933 . 29 1 1 A 74 74 VAL HA H 74 3.375 3.836 -0.461 1
1 941 . 29 1 1 A 74 74 VAL C C 74 174.427 178.217 -3.790 1
1 942 . 29 1 1 A 74 74 VAL CA C 74 68.677 65.968 2.709 1
1 943 . 29 1 1 A 74 74 VAL CB C 74 33.164 31.412 1.752 1
1 946 . 29 1 1 A 74 74 VAL N N 74 123.807 119.114 4.693 1
1 947 . 29 1 1 A 75 75 PHE H H 75 8.149 8.005 0.144 1
1 948 . 29 1 1 A 75 75 PHE HA H 75 3.878 4.206 -0.328 1
1 955 . 29 1 1 A 75 75 PHE C C 75 174.627 177.216 -2.589 1
1 956 . 29 1 1 A 75 75 PHE CA C 75 64.444 61.325 3.119 1
1 957 . 29 1 1 A 75 75 PHE CB C 75 40.823 39.023 1.800 1
1 958 . 29 1 1 A 75 75 PHE N N 75 122.351 123.990 -1.639 1
1 959 . 29 1 1 A 76 76 LEU H H 76 8.141 8.576 -0.435 1
1 960 . 29 1 1 A 76 76 LEU HA H 76 3.648 3.855 -0.207 1
1 970 . 29 1 1 A 76 76 LEU C C 76 173.327 179.078 -5.751 1
1 971 . 29 1 1 A 76 76 LEU CA C 76 59.810 58.167 1.643 1
1 972 . 29 1 1 A 76 76 LEU CB C 76 42.994 41.529 1.465 1
1 976 . 29 1 1 A 76 76 LEU N N 76 116.801 119.407 -2.606 1
1 977 . 29 1 1 A 77 77 THR H H 77 8.005 8.208 -0.203 1
1 978 . 29 1 1 A 77 77 THR HA H 77 3.561 3.775 -0.214 1
1 984 . 29 1 1 A 77 77 THR C C 77 176.427 175.544 0.883 1
1 985 . 29 1 1 A 77 77 THR CA C 77 69.876 66.684 3.192 1
1 986 . 29 1 1 A 77 77 THR CB C 77 71.163 68.324 2.839 1
1 988 . 29 1 1 A 77 77 THR N N 77 116.415 115.343 1.072 1
1 989 . 29 1 1 A 78 78 MET H H 78 8.059 8.380 -0.321 1
1 990 . 29 1 1 A 78 78 MET HA H 78 3.771 3.941 -0.170 1
1 995 . 29 1 1 A 78 78 MET C C 78 172.927 178.427 -5.500 1
1 996 . 29 1 1 A 78 78 MET CA C 78 60.751 58.280 2.471 1
1 997 . 29 1 1 A 78 78 MET CB C 78 33.255 32.087 1.168 1
1 999 . 29 1 1 A 78 78 MET N N 78 120.960 119.742 1.218 1
1 1000 . 29 1 1 A 79 79 LEU H H 79 8.007 7.999 0.008 1
1 1001 . 29 1 1 A 79 79 LEU HA H 79 3.646 3.968 -0.322 1
1 1011 . 29 1 1 A 79 79 LEU C C 79 174.527 178.296 -3.769 1
1 1012 . 29 1 1 A 79 79 LEU CA C 79 59.756 57.205 2.551 1
1 1013 . 29 1 1 A 79 79 LEU CB C 79 42.961 41.666 1.295 1
1 1017 . 29 1 1 A 79 79 LEU N N 79 120.772 120.386 0.386 1
1 1018 . 29 1 1 A 80 80 CYS H H 80 8.268 8.191 0.077 1
1 1019 . 29 1 1 A 80 80 CYS HA H 80 3.344 3.727 -0.383 1
1 1022 . 29 1 1 A 80 80 CYS C C 80 176.127 176.824 -0.697 1
1 1023 . 29 1 1 A 80 80 CYS CA C 80 64.083 62.460 1.623 1
1 1024 . 29 1 1 A 80 80 CYS CB C 80 28.199 26.837 1.362 1
1 1025 . 29 1 1 A 80 80 CYS N N 80 118.257 118.770 -0.513 1
1 1026 . 29 1 1 A 81 81 MET H H 81 7.600 8.059 -0.459 1
1 1027 . 29 1 1 A 81 81 MET HA H 81 3.242 4.158 -0.916 1
1 1035 . 29 1 1 A 81 81 MET C C 81 176.227 177.492 -1.265 1
1 1036 . 29 1 1 A 81 81 MET CA C 81 60.091 57.502 2.589 1
1 1037 . 29 1 1 A 81 81 MET CB C 81 34.090 31.486 2.604 1
1 1040 . 29 1 1 A 81 81 MET N N 81 114.515 119.093 -4.578 1
1 1041 . 29 1 1 A 82 82 ALA H H 82 7.299 7.516 -0.217 1
1 1042 . 29 1 1 A 82 82 ALA HA H 82 4.121 4.174 -0.053 1
1 1046 . 29 1 1 A 82 82 ALA C C 82 173.827 177.373 -3.546 1
1 1047 . 29 1 1 A 82 82 ALA CA C 82 54.930 53.576 1.354 1
1 1048 . 29 1 1 A 82 82 ALA CB C 82 20.641 18.272 2.369 1
1 1049 . 29 1 1 A 82 82 ALA N N 82 118.977 120.276 -1.299 1
1 1050 . 29 1 1 A 83 83 TYR H H 83 7.623 7.018 0.605 1
1 1051 . 29 1 1 A 83 83 TYR HA H 83 4.771 4.947 -0.176 1
1 1058 . 29 1 1 A 83 83 TYR CA C 83 59.333 57.419 1.914 1
1 1059 . 29 1 1 A 83 83 TYR CB C 83 41.599 40.703 0.896 1
1 1060 . 29 1 1 A 83 83 TYR N N 83 113.311 114.110 -0.799 1
1 1061 . 29 1 1 A 84 84 ASN HA H 84 4.534 5.098 -0.564 1
1 1064 . 29 1 1 A 84 84 ASN CA C 84 56.126 53.681 2.445 1
1 1065 . 29 1 1 A 84 84 ASN CB C 84 41.990 38.209 3.781 1
1 1066 . 29 1 1 A 85 85 ASP H H 85 8.681 8.714 -0.033 1
1 1067 . 29 1 1 A 85 85 ASP HA H 85 4.086 4.571 -0.485 1
1 1070 . 29 1 1 A 85 85 ASP CA C 85 58.457 55.408 3.049 1
1 1071 . 29 1 1 A 85 85 ASP CB C 85 42.260 39.433 2.827 1
1 1072 . 29 1 1 A 85 85 ASP N N 85 126.079 119.736 6.343 1
1 1073 . 29 1 1 A 86 86 PHE H H 86 8.672 8.247 0.425 1
1 1074 . 29 1 1 A 86 86 PHE HA H 86 3.744 4.239 -0.495 1
1 1081 . 29 1 1 A 86 86 PHE C C 86 176.827 177.109 -0.282 1
1 1082 . 29 1 1 A 86 86 PHE CA C 86 62.903 60.937 1.966 1
1 1083 . 29 1 1 A 86 86 PHE CB C 86 41.596 38.182 3.414 1
1 1084 . 29 1 1 A 86 86 PHE N N 86 121.950 117.688 4.262 1
1 1085 . 29 1 1 A 87 87 PHE H H 87 7.225 7.928 -0.703 1
1 1086 . 29 1 1 A 87 87 PHE HA H 87 3.836 4.617 -0.781 1
1 1093 . 29 1 1 A 87 87 PHE C C 87 176.927 177.004 -0.077 1
1 1094 . 29 1 1 A 87 87 PHE CA C 87 60.422 58.198 2.224 1
1 1095 . 29 1 1 A 87 87 PHE CB C 87 41.081 39.438 1.643 1
1 1096 . 29 1 1 A 87 87 PHE N N 87 110.928 116.875 -5.947 1
1 1097 . 29 1 1 A 88 88 LEU H H 88 7.130 7.842 -0.712 1
1 1098 . 29 1 1 A 88 88 LEU HA H 88 4.169 4.151 0.018 1
1 1108 . 29 1 1 A 88 88 LEU C C 88 175.027 176.428 -1.401 1
1 1109 . 29 1 1 A 88 88 LEU CA C 88 56.962 57.153 -0.191 1
1 1110 . 29 1 1 A 88 88 LEU CB C 88 44.199 42.249 1.950 1
1 1114 . 29 1 1 A 88 88 LEU N N 88 119.732 121.872 -2.140 1
1 1115 . 29 1 1 A 89 89 GLU H H 89 8.097 7.202 0.895 1
1 1116 . 29 1 1 A 89 89 GLU HA H 89 4.087 4.372 -0.285 1
1 1121 . 29 1 1 A 89 89 GLU C C 89 176.427 175.058 1.369 1
1 1122 . 29 1 1 A 89 89 GLU CA C 89 58.216 58.551 -0.335 1
1 1123 . 29 1 1 A 89 89 GLU CB C 89 32.309 29.830 2.479 1
1 1125 . 29 1 1 A 89 89 GLU N N 89 121.626 114.926 6.700 1
1 1126 . 29 1 1 A 90 90 ASP H H 90 8.243 8.080 0.163 1
1 1127 . 29 1 1 A 90 90 ASP HA H 90 4.425 4.852 -0.427 1
1 1130 . 29 1 1 A 90 90 ASP C C 90 176.527 175.655 0.872 1
1 1131 . 29 1 1 A 90 90 ASP CA C 90 55.815 55.362 0.453 1
1 1132 . 29 1 1 A 90 90 ASP CB C 90 42.874 41.424 1.450 1
1 1133 . 29 1 1 A 90 90 ASP N N 90 121.280 115.604 5.676 1
1 1134 . 29 1 1 A 91 91 ASN H H 91 8.267 8.264 0.003 1
1 1135 . 29 1 1 A 91 91 ASN HA H 91 4.563 4.614 -0.051 1
1 1140 . 29 1 1 A 91 91 ASN C C 91 178.127 176.350 1.777 1
1 1141 . 29 1 1 A 91 91 ASN CA C 91 54.928 53.578 1.350 1
1 1142 . 29 1 1 A 91 91 ASN CB C 91 40.529 38.402 2.127 1
1 1143 . 29 1 1 A 91 91 ASN N N 91 119.209 119.180 0.029 1
1 14 . 30 1 1 A 2 2 GLU H H 2 8.722 8.789 -0.067 1
1 15 . 30 1 1 A 2 2 GLU HA H 2 4.557 4.660 -0.103 1
1 20 . 30 1 1 A 2 2 GLU C C 2 175.827 175.785 0.042 1
1 21 . 30 1 1 A 2 2 GLU CA C 2 58.063 56.191 1.872 1
1 22 . 30 1 1 A 2 2 GLU CB C 2 33.147 31.770 1.377 1
1 24 . 30 1 1 A 2 2 GLU N N 2 124.627 118.661 5.966 1
1 25 . 30 1 1 A 3 3 THR H H 3 8.670 7.436 1.234 1
1 26 . 30 1 1 A 3 3 THR HA H 3 4.616 4.794 -0.178 1
1 31 . 30 1 1 A 3 3 THR CA C 3 61.734 58.624 3.110 1
1 32 . 30 1 1 A 3 3 THR CB C 3 70.590 70.088 0.502 1
1 34 . 30 1 1 A 3 3 THR N N 3 116.274 109.398 6.876 1
1 35 . 30 1 1 A 4 4 PRO HA H 4 4.161 4.254 -0.093 1
1 42 . 30 1 1 A 4 4 PRO C C 4 172.227 178.051 -5.824 1
1 43 . 30 1 1 A 4 4 PRO CA C 4 68.211 65.894 2.317 1
1 44 . 30 1 1 A 4 4 PRO CB C 4 33.796 31.857 1.939 1
1 47 . 30 1 1 A 5 5 LEU H H 5 9.207 7.728 1.479 1
1 48 . 30 1 1 A 5 5 LEU HA H 5 4.038 4.039 -0.001 1
1 58 . 30 1 1 A 5 5 LEU C C 5 174.327 178.288 -3.961 1
1 59 . 30 1 1 A 5 5 LEU CA C 5 59.483 57.445 2.038 1
1 60 . 30 1 1 A 5 5 LEU CB C 5 43.877 41.627 2.250 1
1 64 . 30 1 1 A 5 5 LEU N N 5 119.157 117.843 1.314 1
1 65 . 30 1 1 A 6 6 GLU H H 6 7.661 7.871 -0.210 1
1 66 . 30 1 1 A 6 6 GLU HA H 6 3.755 3.890 -0.135 1
1 71 . 30 1 1 A 6 6 GLU C C 6 172.727 179.068 -6.341 1
1 72 . 30 1 1 A 6 6 GLU CA C 6 61.953 59.902 2.051 1
1 73 . 30 1 1 A 6 6 GLU CB C 6 31.354 29.184 2.170 1
1 75 . 30 1 1 A 6 6 GLU N N 6 119.837 119.010 0.827 1
1 76 . 30 1 1 A 7 7 LYS H H 7 8.430 7.688 0.742 1
1 77 . 30 1 1 A 7 7 LYS HA H 7 3.921 4.263 -0.342 1
1 86 . 30 1 1 A 7 7 LYS C C 7 172.927 178.955 -6.028 1
1 87 . 30 1 1 A 7 7 LYS CA C 7 61.312 58.801 2.511 1
1 88 . 30 1 1 A 7 7 LYS CB C 7 33.861 32.199 1.662 1
1 92 . 30 1 1 A 7 7 LYS N N 7 119.023 119.288 -0.265 1
1 93 . 30 1 1 A 8 8 ALA H H 8 8.079 7.990 0.089 1
1 94 . 30 1 1 A 8 8 ALA HA H 8 4.085 4.017 0.068 1
1 98 . 30 1 1 A 8 8 ALA C C 8 173.027 180.176 -7.149 1
1 99 . 30 1 1 A 8 8 ALA CA C 8 56.967 55.088 1.879 1
1 100 . 30 1 1 A 8 8 ALA CB C 8 20.140 18.543 1.597 1
1 101 . 30 1 1 A 8 8 ALA N N 8 123.824 122.574 1.250 1
1 102 . 30 1 1 A 9 9 LEU H H 9 8.032 7.806 0.226 1
1 103 . 30 1 1 A 9 9 LEU HA H 9 4.061 3.976 0.085 1
1 113 . 30 1 1 A 9 9 LEU C C 9 172.527 179.190 -6.663 1
1 114 . 30 1 1 A 9 9 LEU CA C 9 60.071 57.995 2.076 1
1 115 . 30 1 1 A 9 9 LEU CB C 9 42.714 41.876 0.838 1
1 119 . 30 1 1 A 9 9 LEU N N 9 118.643 117.973 0.670 1
1 120 . 30 1 1 A 10 10 THR H H 10 8.686 8.323 0.363 1
1 121 . 30 1 1 A 10 10 THR HA H 10 3.798 3.929 -0.131 1
1 126 . 30 1 1 A 10 10 THR C C 10 175.127 176.694 -1.567 1
1 127 . 30 1 1 A 10 10 THR CA C 10 69.282 66.413 2.869 1
1 128 . 30 1 1 A 10 10 THR CB C 10 70.132 68.444 1.688 1
1 130 . 30 1 1 A 10 10 THR N N 10 117.087 115.123 1.964 1
1 131 . 30 1 1 A 11 11 THR H H 11 8.628 7.805 0.823 1
1 132 . 30 1 1 A 11 11 THR HA H 11 3.961 3.920 0.041 1
1 137 . 30 1 1 A 11 11 THR C C 11 174.427 176.838 -2.411 1
1 138 . 30 1 1 A 11 11 THR CA C 11 68.408 66.834 1.574 1
1 139 . 30 1 1 A 11 11 THR CB C 11 69.107 68.811 0.296 1
1 141 . 30 1 1 A 11 11 THR N N 11 120.770 116.702 4.068 1
1 142 . 30 1 1 A 12 12 MET H H 12 8.390 8.194 0.196 1
1 143 . 30 1 1 A 12 12 MET HA H 12 3.956 4.354 -0.398 1
1 151 . 30 1 1 A 12 12 MET C C 12 175.127 178.440 -3.313 1
1 152 . 30 1 1 A 12 12 MET CA C 12 62.750 58.198 4.552 1
1 153 . 30 1 1 A 12 12 MET CB C 12 34.952 32.560 2.392 1
1 156 . 30 1 1 A 12 12 MET N N 12 124.388 118.738 5.650 1
1 157 . 30 1 1 A 13 13 VAL H H 13 8.104 8.548 -0.444 1
1 158 . 30 1 1 A 13 13 VAL HA H 13 3.576 4.229 -0.653 1
1 166 . 30 1 1 A 13 13 VAL C C 13 175.327 178.240 -2.913 1
1 167 . 30 1 1 A 13 13 VAL CA C 13 68.958 65.844 3.114 1
1 168 . 30 1 1 A 13 13 VAL CB C 13 33.703 31.687 2.016 1
1 171 . 30 1 1 A 13 13 VAL N N 13 121.753 116.726 5.027 1
1 172 . 30 1 1 A 14 14 THR H H 14 9.186 8.185 1.001 1
1 173 . 30 1 1 A 14 14 THR HA H 14 3.774 4.013 -0.239 1
1 178 . 30 1 1 A 14 14 THR C C 14 173.927 177.295 -3.368 1
1 179 . 30 1 1 A 14 14 THR CA C 14 67.955 66.014 1.941 1
1 180 . 30 1 1 A 14 14 THR CB C 14 70.504 68.674 1.830 1
1 182 . 30 1 1 A 14 14 THR N N 14 114.911 116.493 -1.582 1
1 183 . 30 1 1 A 15 15 THR H H 15 8.453 8.025 0.428 1
1 184 . 30 1 1 A 15 15 THR HA H 15 3.859 4.177 -0.318 1
1 190 . 30 1 1 A 15 15 THR C C 15 178.127 176.709 1.418 1
1 191 . 30 1 1 A 15 15 THR CA C 15 69.609 65.683 3.926 1
1 192 . 30 1 1 A 15 15 THR CB C 15 70.511 68.404 2.107 1
1 194 . 30 1 1 A 15 15 THR N N 15 118.791 112.388 6.403 1
1 195 . 30 1 1 A 16 16 PHE H H 16 7.207 8.305 -1.098 1
1 196 . 30 1 1 A 16 16 PHE HA H 16 3.572 3.989 -0.417 1
1 203 . 30 1 1 A 16 16 PHE C C 16 178.527 177.420 1.107 1
1 204 . 30 1 1 A 16 16 PHE CA C 16 64.090 61.092 2.998 1
1 205 . 30 1 1 A 16 16 PHE CB C 16 41.091 38.336 2.755 1
1 206 . 30 1 1 A 16 16 PHE N N 16 121.331 124.573 -3.242 1
1 207 . 30 1 1 A 17 17 HIS H H 17 8.393 8.436 -0.043 1
1 208 . 30 1 1 A 17 17 HIS HA H 17 5.329 4.362 0.967 1
1 211 . 30 1 1 A 17 17 HIS C C 17 174.627 177.034 -2.407 1
1 212 . 30 1 1 A 17 17 HIS CA C 17 56.667 59.946 -3.279 1
1 213 . 30 1 1 A 17 17 HIS CB C 17 32.397 29.999 2.398 1
1 214 . 30 1 1 A 17 17 HIS N N 17 117.858 118.643 -0.785 1
1 215 . 30 1 1 A 18 18 LYS H H 18 7.767 7.831 -0.064 1
1 216 . 30 1 1 A 18 18 LYS HA H 18 3.553 3.927 -0.374 1
1 225 . 30 1 1 A 18 18 LYS C C 18 175.527 177.082 -1.555 1
1 226 . 30 1 1 A 18 18 LYS CA C 18 61.301 58.773 2.528 1
1 227 . 30 1 1 A 18 18 LYS CB C 18 33.523 32.058 1.465 1
1 231 . 30 1 1 A 18 18 LYS N N 18 120.691 118.765 1.926 1
1 232 . 30 1 1 A 19 19 TYR H H 19 7.079 7.460 -0.381 1
1 233 . 30 1 1 A 19 19 TYR HA H 19 3.993 4.496 -0.503 1
1 240 . 30 1 1 A 19 19 TYR C C 19 174.227 177.521 -3.294 1
1 241 . 30 1 1 A 19 19 TYR CA C 19 61.287 58.780 2.507 1
1 242 . 30 1 1 A 19 19 TYR CB C 19 42.066 39.869 2.197 1
1 243 . 30 1 1 A 19 19 TYR N N 19 114.592 116.262 -1.670 1
1 244 . 30 1 1 A 20 20 SER H H 20 9.708 8.457 1.251 1
1 245 . 30 1 1 A 20 20 SER HA H 20 4.117 3.914 0.203 1
1 248 . 30 1 1 A 20 20 SER C C 20 175.227 176.848 -1.621 1
1 249 . 30 1 1 A 20 20 SER CA C 20 60.135 61.012 -0.877 1
1 250 . 30 1 1 A 20 20 SER CB C 20 63.159 62.031 1.128 1
1 251 . 30 1 1 A 20 20 SER N N 20 121.764 115.439 6.325 1
1 252 . 30 1 1 A 21 21 GLY H H 21 8.146 7.937 0.209 1
1 253 . 30 1 1 A 21 21 GLY HA2 H 21 3.956 3.806 0.150 1
1 254 . 30 1 1 A 21 21 GLY HA3 H 21 3.571 4.012 -0.441 1
1 255 . 30 1 1 A 21 21 GLY C C 21 177.927 174.460 3.467 1
1 256 . 30 1 1 A 21 21 GLY CA C 21 46.646 45.932 0.714 1
1 257 . 30 1 1 A 21 21 GLY N N 21 106.982 108.964 -1.982 1
1 258 . 30 1 1 A 22 22 ARG H H 22 7.007 7.950 -0.943 1
1 259 . 30 1 1 A 22 22 ARG HA H 22 3.815 4.536 -0.721 1
1 266 . 30 1 1 A 22 22 ARG C C 22 175.927 175.229 0.698 1
1 267 . 30 1 1 A 22 22 ARG CA C 22 60.766 55.819 4.947 1
1 268 . 30 1 1 A 22 22 ARG CB C 22 32.302 31.067 1.235 1
1 271 . 30 1 1 A 22 22 ARG N N 22 118.055 117.025 1.030 1
1 272 . 30 1 1 A 23 23 GLU H H 23 7.551 7.700 -0.149 1
1 273 . 30 1 1 A 23 23 GLU HA H 23 4.436 4.643 -0.207 1
1 278 . 30 1 1 A 23 23 GLU C C 23 177.727 177.467 0.260 1
1 279 . 30 1 1 A 23 23 GLU CA C 23 56.853 54.414 2.439 1
1 280 . 30 1 1 A 23 23 GLU CB C 23 33.988 32.236 1.752 1
1 282 . 30 1 1 A 23 23 GLU N N 23 114.631 118.552 -3.921 1
1 283 . 30 1 1 A 24 24 GLY H H 24 8.376 8.531 -0.155 1
1 284 . 30 1 1 A 24 24 GLY HA2 H 24 3.771 3.766 0.005 1
1 285 . 30 1 1 A 24 24 GLY HA3 H 24 3.567 3.839 -0.272 1
1 286 . 30 1 1 A 24 24 GLY C C 24 177.127 173.842 3.285 1
1 287 . 30 1 1 A 24 24 GLY CA C 24 47.718 45.549 2.169 1
1 288 . 30 1 1 A 24 24 GLY N N 24 107.626 110.280 -2.654 1
1 289 . 30 1 1 A 25 25 SER H H 25 8.443 7.574 0.869 1
1 290 . 30 1 1 A 25 25 SER HA H 25 4.314 4.717 -0.403 1
1 293 . 30 1 1 A 25 25 SER C C 25 175.527 172.560 2.967 1
1 294 . 30 1 1 A 25 25 SER CA C 25 59.146 57.100 2.046 1
1 295 . 30 1 1 A 25 25 SER CB C 25 65.573 64.490 1.083 1
1 296 . 30 1 1 A 25 25 SER N N 25 119.000 112.825 6.175 1
1 297 . 30 1 1 A 26 26 LYS H H 26 8.821 8.722 0.099 1
1 298 . 30 1 1 A 26 26 LYS HA H 26 4.307 4.460 -0.153 1
1 307 . 30 1 1 A 26 26 LYS C C 26 176.027 176.949 -0.922 1
1 308 . 30 1 1 A 26 26 LYS CA C 26 59.180 55.925 3.255 1
1 309 . 30 1 1 A 26 26 LYS CB C 26 33.211 32.460 0.751 1
1 313 . 30 1 1 A 26 26 LYS N N 26 126.125 125.710 0.415 1
1 314 . 30 1 1 A 27 27 LEU H H 27 8.237 7.596 0.641 1
1 315 . 30 1 1 A 27 27 LEU HA H 27 4.534 4.741 -0.207 1
1 325 . 30 1 1 A 27 27 LEU C C 27 175.627 177.144 -1.517 1
1 326 . 30 1 1 A 27 27 LEU CA C 27 56.384 55.920 0.464 1
1 327 . 30 1 1 A 27 27 LEU CB C 27 44.218 43.829 0.389 1
1 331 . 30 1 1 A 27 27 LEU N N 27 117.484 117.195 0.289 1
1 332 . 30 1 1 A 28 28 THR H H 28 7.386 7.825 -0.439 1
1 333 . 30 1 1 A 28 28 THR HA H 28 5.517 5.509 0.008 1
1 338 . 30 1 1 A 28 28 THR C C 28 180.227 172.891 7.336 1
1 339 . 30 1 1 A 28 28 THR CA C 28 61.014 60.072 0.942 1
1 340 . 30 1 1 A 28 28 THR CB C 28 75.348 72.380 2.968 1
1 342 . 30 1 1 A 28 28 THR N N 28 106.230 107.850 -1.620 1
1 343 . 30 1 1 A 29 29 LEU H H 29 8.721 8.771 -0.050 1
1 344 . 30 1 1 A 29 29 LEU HA H 29 4.713 4.895 -0.182 1
1 354 . 30 1 1 A 29 29 LEU C C 29 176.927 175.516 1.411 1
1 355 . 30 1 1 A 29 29 LEU CA C 29 55.163 53.627 1.536 1
1 356 . 30 1 1 A 29 29 LEU CB C 29 46.059 44.528 1.531 1
1 360 . 30 1 1 A 29 29 LEU N N 29 116.728 118.508 -1.780 1
1 361 . 30 1 1 A 30 30 SER H H 30 8.866 9.123 -0.257 1
1 362 . 30 1 1 A 30 30 SER HA H 30 4.942 4.776 0.166 1
1 365 . 30 1 1 A 30 30 SER C C 30 176.327 175.993 0.334 1
1 366 . 30 1 1 A 30 30 SER CA C 30 59.032 57.553 1.479 1
1 367 . 30 1 1 A 30 30 SER CB C 30 67.150 64.626 2.524 1
1 368 . 30 1 1 A 30 30 SER N N 30 117.110 115.822 1.288 1
1 369 . 30 1 1 A 31 31 ARG H H 31 8.393 8.858 -0.465 1
1 370 . 30 1 1 A 31 31 ARG HA H 31 3.695 3.994 -0.299 1
1 377 . 30 1 1 A 31 31 ARG C C 31 174.127 178.684 -4.557 1
1 378 . 30 1 1 A 31 31 ARG CA C 31 62.776 59.514 3.262 1
1 379 . 30 1 1 A 31 31 ARG CB C 31 31.601 29.712 1.889 1
1 382 . 30 1 1 A 31 31 ARG N N 31 121.109 121.859 -0.750 1
1 383 . 30 1 1 A 32 32 LYS H H 32 8.264 7.847 0.417 1
1 384 . 30 1 1 A 32 32 LYS HA H 32 3.912 3.960 -0.048 1
1 393 . 30 1 1 A 32 32 LYS C C 32 172.827 179.044 -6.217 1
1 394 . 30 1 1 A 32 32 LYS CA C 32 61.591 59.656 1.935 1
1 395 . 30 1 1 A 32 32 LYS CB C 32 34.116 32.444 1.672 1
1 399 . 30 1 1 A 32 32 LYS N N 32 118.536 119.849 -1.313 1
1 400 . 30 1 1 A 33 33 GLU H H 33 7.790 7.783 0.007 1
1 401 . 30 1 1 A 33 33 GLU HA H 33 4.049 3.963 0.086 1
1 406 . 30 1 1 A 33 33 GLU C C 33 174.327 178.703 -4.376 1
1 407 . 30 1 1 A 33 33 GLU CA C 33 60.634 59.468 1.166 1
1 408 . 30 1 1 A 33 33 GLU CB C 33 31.617 28.925 2.692 1
1 410 . 30 1 1 A 33 33 GLU N N 33 121.557 119.292 2.265 1
1 411 . 30 1 1 A 34 34 LEU H H 34 8.388 8.211 0.177 1
1 412 . 30 1 1 A 34 34 LEU HA H 34 3.844 3.789 0.055 1
1 422 . 30 1 1 A 34 34 LEU C C 34 174.927 178.208 -3.281 1
1 423 . 30 1 1 A 34 34 LEU CA C 34 59.173 57.693 1.480 1
1 424 . 30 1 1 A 34 34 LEU CB C 34 42.053 41.504 0.549 1
1 428 . 30 1 1 A 34 34 LEU N N 34 120.999 121.933 -0.934 1
1 429 . 30 1 1 A 35 35 LYS H H 35 7.817 7.834 -0.017 1
1 430 . 30 1 1 A 35 35 LYS HA H 35 3.478 3.709 -0.231 1
1 439 . 30 1 1 A 35 35 LYS C C 35 174.627 178.576 -3.949 1
1 440 . 30 1 1 A 35 35 LYS CA C 35 62.312 59.667 2.645 1
1 441 . 30 1 1 A 35 35 LYS CB C 35 33.814 32.093 1.721 1
1 445 . 30 1 1 A 35 35 LYS N N 35 118.738 118.711 0.027 1
1 446 . 30 1 1 A 36 36 GLU H H 36 7.208 7.255 -0.047 1
1 447 . 30 1 1 A 36 36 GLU HA H 36 3.801 4.027 -0.226 1
1 452 . 30 1 1 A 36 36 GLU C C 36 175.227 178.339 -3.112 1
1 453 . 30 1 1 A 36 36 GLU CA C 36 61.015 58.853 2.162 1
1 454 . 30 1 1 A 36 36 GLU CB C 36 30.770 29.351 1.419 1
1 456 . 30 1 1 A 36 36 GLU N N 36 118.771 119.135 -0.364 1
1 457 . 30 1 1 A 37 37 LEU H H 37 8.038 7.761 0.277 1
1 458 . 30 1 1 A 37 37 LEU HA H 37 3.178 3.598 -0.420 1
1 468 . 30 1 1 A 37 37 LEU C C 37 172.927 178.413 -5.486 1
1 469 . 30 1 1 A 37 37 LEU CA C 37 60.915 57.846 3.069 1
1 470 . 30 1 1 A 37 37 LEU CB C 37 43.352 41.273 2.079 1
1 474 . 30 1 1 A 37 37 LEU N N 37 121.767 120.390 1.377 1
1 475 . 30 1 1 A 38 38 ILE H H 38 8.224 7.844 0.380 1
1 476 . 30 1 1 A 38 38 ILE HA H 38 3.234 3.864 -0.630 1
1 486 . 30 1 1 A 38 38 ILE C C 38 174.727 177.073 -2.346 1
1 487 . 30 1 1 A 38 38 ILE CA C 38 66.464 63.730 2.734 1
1 488 . 30 1 1 A 38 38 ILE CB C 38 38.799 37.352 1.447 1
1 492 . 30 1 1 A 38 38 ILE N N 38 119.417 119.580 -0.163 1
1 493 . 30 1 1 A 39 39 LYS H H 39 7.700 7.609 0.091 1
1 494 . 30 1 1 A 39 39 LYS HA H 39 3.894 4.396 -0.502 1
1 503 . 30 1 1 A 39 39 LYS C C 39 173.727 177.430 -3.703 1
1 504 . 30 1 1 A 39 39 LYS CA C 39 61.015 56.391 4.624 1
1 505 . 30 1 1 A 39 39 LYS CB C 39 34.100 33.327 0.773 1
1 509 . 30 1 1 A 39 39 LYS N N 39 117.277 120.909 -3.632 1
1 510 . 30 1 1 A 40 40 LYS H H 40 8.170 7.860 0.310 1
1 511 . 30 1 1 A 40 40 LYS HA H 40 4.226 4.320 -0.094 1
1 520 . 30 1 1 A 40 40 LYS C C 40 173.427 178.278 -4.851 1
1 521 . 30 1 1 A 40 40 LYS CA C 40 59.251 58.333 0.918 1
1 522 . 30 1 1 A 40 40 LYS CB C 40 35.528 33.468 2.060 1
1 526 . 30 1 1 A 40 40 LYS N N 40 115.146 118.819 -3.673 1
1 527 . 30 1 1 A 41 41 GLU H H 41 8.778 7.721 1.057 1
1 528 . 30 1 1 A 41 41 GLU HA H 41 4.629 4.375 0.254 1
1 533 . 30 1 1 A 41 41 GLU C C 41 175.527 176.304 -0.777 1
1 534 . 30 1 1 A 41 41 GLU CA C 41 57.177 58.027 -0.850 1
1 535 . 30 1 1 A 41 41 GLU CB C 41 31.656 30.730 0.926 1
1 537 . 30 1 1 A 41 41 GLU N N 41 113.604 117.117 -3.513 1
1 538 . 30 1 1 A 42 42 LEU H H 42 7.610 7.152 0.458 1
1 539 . 30 1 1 A 42 42 LEU HA H 42 4.475 4.981 -0.506 1
1 549 . 30 1 1 A 42 42 LEU C C 42 177.227 175.095 2.132 1
1 550 . 30 1 1 A 42 42 LEU CA C 42 56.047 53.674 2.373 1
1 551 . 30 1 1 A 42 42 LEU CB C 42 45.748 45.448 0.300 1
1 555 . 30 1 1 A 42 42 LEU N N 42 118.997 120.474 -1.477 1
1 556 . 30 1 1 A 43 43 CYS H H 43 8.501 8.576 -0.075 1
1 557 . 30 1 1 A 43 43 CYS HA H 43 4.397 4.879 -0.482 1
1 560 . 30 1 1 A 43 43 CYS C C 43 177.327 174.203 3.124 1
1 561 . 30 1 1 A 43 43 CYS CA C 43 60.023 58.907 1.116 1
1 562 . 30 1 1 A 43 43 CYS CB C 43 27.915 30.811 -2.896 1
1 563 . 30 1 1 A 43 43 CYS N N 43 119.622 122.588 -2.966 1
1 564 . 30 1 1 A 44 44 LEU H H 44 8.200 8.559 -0.359 1
1 565 . 30 1 1 A 44 44 LEU HA H 44 3.979 4.381 -0.402 1
1 575 . 30 1 1 A 44 44 LEU C C 44 173.927 177.382 -3.455 1
1 576 . 30 1 1 A 44 44 LEU CA C 44 57.244 55.877 1.367 1
1 577 . 30 1 1 A 44 44 LEU CB C 44 43.622 42.742 0.880 1
1 581 . 30 1 1 A 44 44 LEU N N 44 121.955 128.358 -6.403 1
1 582 . 30 1 1 A 45 45 GLY H H 45 8.244 7.558 0.686 1
1 583 . 30 1 1 A 45 45 GLY HA2 H 45 3.849 3.988 -0.139 1
1 584 . 30 1 1 A 45 45 GLY HA3 H 45 3.789 4.044 -0.255 1
1 585 . 30 1 1 A 45 45 GLY C C 45 178.027 174.930 3.097 1
1 586 . 30 1 1 A 45 45 GLY CA C 45 47.023 45.515 1.508 1
1 587 . 30 1 1 A 45 45 GLY N N 45 107.702 105.136 2.566 1
1 588 . 30 1 1 A 46 46 GLU H H 46 8.286 8.105 0.181 1
1 589 . 30 1 1 A 46 46 GLU HA H 46 4.039 4.492 -0.453 1
1 594 . 30 1 1 A 46 46 GLU C C 46 175.127 176.788 -1.661 1
1 595 . 30 1 1 A 46 46 GLU CA C 46 59.176 56.349 2.827 1
1 596 . 30 1 1 A 46 46 GLU CB C 46 31.361 32.144 -0.783 1
1 598 . 30 1 1 A 46 46 GLU N N 46 119.602 115.798 3.804 1
1 599 . 30 1 1 A 47 47 MET H H 47 8.048 7.984 0.064 1
1 600 . 30 1 1 A 47 47 MET HA H 47 4.229 4.261 -0.032 1
1 608 . 30 1 1 A 47 47 MET C C 47 175.727 174.871 0.856 1
1 609 . 30 1 1 A 47 47 MET CA C 47 58.183 56.322 1.861 1
1 610 . 30 1 1 A 47 47 MET CB C 47 34.087 31.617 2.470 1
1 613 . 30 1 1 A 47 47 MET N N 47 119.617 115.879 3.738 1
1 614 . 30 1 1 A 48 48 LYS H H 48 8.221 8.439 -0.218 1
1 615 . 30 1 1 A 48 48 LYS HA H 48 4.217 4.295 -0.078 1
1 624 . 30 1 1 A 48 48 LYS C C 48 174.927 176.746 -1.819 1
1 625 . 30 1 1 A 48 48 LYS CA C 48 58.304 56.134 2.170 1
1 626 . 30 1 1 A 48 48 LYS CB C 48 34.548 33.582 0.966 1
1 630 . 30 1 1 A 48 48 LYS N N 48 120.987 124.737 -3.750 1
1 631 . 30 1 1 A 49 49 GLU H H 49 8.346 8.919 -0.573 1
1 632 . 30 1 1 A 49 49 GLU HA H 49 3.922 4.415 -0.493 1
1 637 . 30 1 1 A 49 49 GLU C C 49 174.427 176.341 -1.914 1
1 638 . 30 1 1 A 49 49 GLU CA C 49 60.298 57.252 3.046 1
1 639 . 30 1 1 A 49 49 GLU CB C 49 31.065 29.592 1.473 1
1 641 . 30 1 1 A 49 49 GLU N N 49 121.867 124.909 -3.042 1
1 642 . 30 1 1 A 50 50 SER H H 50 8.348 8.990 -0.642 1
1 643 . 30 1 1 A 50 50 SER HA H 50 4.172 4.540 -0.368 1
1 647 . 30 1 1 A 50 50 SER C C 50 176.027 173.569 2.458 1
1 648 . 30 1 1 A 50 50 SER CA C 50 62.548 58.254 4.294 1
1 649 . 30 1 1 A 50 50 SER CB C 50 64.840 64.868 -0.028 1
1 650 . 30 1 1 A 50 50 SER N N 50 115.695 120.404 -4.709 1
1 651 . 30 1 1 A 51 51 SER H H 51 7.980 8.898 -0.918 1
1 652 . 30 1 1 A 51 51 SER HA H 51 4.258 4.027 0.231 1
1 655 . 30 1 1 A 51 51 SER C C 51 174.427 174.701 -0.274 1
1 656 . 30 1 1 A 51 51 SER CA C 51 62.828 61.173 1.655 1
1 657 . 30 1 1 A 51 51 SER CB C 51 64.749 60.979 3.770 1
1 658 . 30 1 1 A 51 51 SER N N 51 117.126 120.632 -3.506 1
1 659 . 30 1 1 A 52 52 ILE H H 52 7.365 8.443 -1.078 1
1 660 . 30 1 1 A 52 52 ILE HA H 52 4.038 3.861 0.177 1
1 670 . 30 1 1 A 52 52 ILE C C 52 175.627 177.454 -1.827 1
1 671 . 30 1 1 A 52 52 ILE CA C 52 64.609 63.776 0.833 1
1 672 . 30 1 1 A 52 52 ILE CB C 52 39.272 37.595 1.677 1
1 676 . 30 1 1 A 52 52 ILE N N 52 117.484 121.210 -3.726 1
1 677 . 30 1 1 A 53 53 ASP H H 53 7.681 8.360 -0.679 1
1 678 . 30 1 1 A 53 53 ASP HA H 53 4.214 4.366 -0.152 1
1 681 . 30 1 1 A 53 53 ASP C C 53 174.027 177.789 -3.762 1
1 682 . 30 1 1 A 53 53 ASP CA C 53 59.799 57.847 1.952 1
1 683 . 30 1 1 A 53 53 ASP CB C 53 42.927 41.637 1.290 1
1 684 . 30 1 1 A 53 53 ASP N N 53 121.969 122.068 -0.099 1
1 685 . 30 1 1 A 54 54 ASP H H 54 8.227 7.776 0.451 1
1 686 . 30 1 1 A 54 54 ASP HA H 54 4.231 4.496 -0.265 1
1 689 . 30 1 1 A 54 54 ASP C C 54 172.927 178.666 -5.739 1
1 690 . 30 1 1 A 54 54 ASP CA C 54 59.507 56.147 3.360 1
1 691 . 30 1 1 A 54 54 ASP CB C 54 41.818 40.663 1.155 1
1 692 . 30 1 1 A 54 54 ASP N N 54 118.083 118.866 -0.783 1
1 693 . 30 1 1 A 55 55 LEU H H 55 7.650 8.082 -0.432 1
1 694 . 30 1 1 A 55 55 LEU HA H 55 4.016 4.014 0.002 1
1 704 . 30 1 1 A 55 55 LEU C C 55 171.927 179.162 -7.235 1
1 705 . 30 1 1 A 55 55 LEU CA C 55 59.965 57.926 2.039 1
1 706 . 30 1 1 A 55 55 LEU CB C 55 43.370 41.353 2.017 1
1 710 . 30 1 1 A 55 55 LEU N N 55 121.634 119.710 1.924 1
1 711 . 30 1 1 A 56 56 MET H H 56 8.429 8.693 -0.264 1
1 712 . 30 1 1 A 56 56 MET HA H 56 4.325 4.247 0.078 1
1 720 . 30 1 1 A 56 56 MET C C 56 172.527 177.945 -5.418 1
1 721 . 30 1 1 A 56 56 MET CA C 56 59.221 58.929 0.292 1
1 722 . 30 1 1 A 56 56 MET CB C 56 34.106 32.627 1.479 1
1 725 . 30 1 1 A 56 56 MET N N 56 118.696 116.881 1.815 1
1 726 . 30 1 1 A 57 57 LYS H H 57 8.249 7.832 0.417 1
1 727 . 30 1 1 A 57 57 LYS HA H 57 3.996 4.229 -0.233 1
1 736 . 30 1 1 A 57 57 LYS C C 57 172.527 179.174 -6.647 1
1 737 . 30 1 1 A 57 57 LYS CA C 57 60.872 58.451 2.421 1
1 738 . 30 1 1 A 57 57 LYS CB C 57 33.853 32.177 1.676 1
1 742 . 30 1 1 A 57 57 LYS N N 57 119.855 120.353 -0.498 1
1 743 . 30 1 1 A 58 58 SER H H 58 7.729 7.985 -0.256 1
1 744 . 30 1 1 A 58 58 SER HA H 58 4.125 4.332 -0.207 1
1 747 . 30 1 1 A 58 58 SER C C 58 176.527 177.485 -0.958 1
1 748 . 30 1 1 A 58 58 SER CA C 58 63.029 61.079 1.950 1
1 749 . 30 1 1 A 58 58 SER CB C 58 64.686 62.813 1.873 1
1 750 . 30 1 1 A 58 58 SER N N 58 115.984 115.558 0.426 1
1 751 . 30 1 1 A 59 59 LEU H H 59 7.288 8.480 -1.192 1
1 752 . 30 1 1 A 59 59 LEU HA H 59 4.058 3.968 0.090 1
1 762 . 30 1 1 A 59 59 LEU C C 59 175.827 177.673 -1.846 1
1 763 . 30 1 1 A 59 59 LEU CA C 59 57.364 58.144 -0.780 1
1 764 . 30 1 1 A 59 59 LEU CB C 59 42.712 41.560 1.152 1
1 768 . 30 1 1 A 59 59 LEU N N 59 120.622 121.726 -1.104 1
1 769 . 30 1 1 A 60 60 ASP H H 60 7.431 8.022 -0.591 1
1 770 . 30 1 1 A 60 60 ASP HA H 60 4.386 4.671 -0.285 1
1 773 . 30 1 1 A 60 60 ASP C C 60 175.927 177.966 -2.039 1
1 774 . 30 1 1 A 60 60 ASP CA C 60 57.012 56.149 0.863 1
1 775 . 30 1 1 A 60 60 ASP CB C 60 42.351 40.568 1.783 1
1 776 . 30 1 1 A 60 60 ASP N N 60 116.755 118.802 -2.047 1
1 777 . 30 1 1 A 61 61 LYS H H 61 7.243 7.633 -0.390 1
1 778 . 30 1 1 A 61 61 LYS HA H 61 4.223 4.230 -0.007 1
1 787 . 30 1 1 A 61 61 LYS C C 61 176.527 176.630 -0.103 1
1 788 . 30 1 1 A 61 61 LYS CA C 61 57.287 58.318 -1.031 1
1 789 . 30 1 1 A 61 61 LYS CB C 61 34.683 32.412 2.271 1
1 793 . 30 1 1 A 61 61 LYS N N 61 119.913 119.773 0.140 1
1 794 . 30 1 1 A 62 62 ASN H H 62 8.725 8.322 0.403 1
1 795 . 30 1 1 A 62 62 ASN HA H 62 4.462 5.049 -0.587 1
1 800 . 30 1 1 A 62 62 ASN C C 62 175.627 175.508 0.119 1
1 801 . 30 1 1 A 62 62 ASN CA C 62 55.452 52.788 2.664 1
1 802 . 30 1 1 A 62 62 ASN CB C 62 39.336 39.837 -0.501 1
1 803 . 30 1 1 A 62 62 ASN N N 62 120.247 115.607 4.640 1
1 805 . 30 1 1 A 63 63 SER H H 63 8.061 8.143 -0.082 1
1 806 . 30 1 1 A 63 63 SER HA H 63 3.957 4.606 -0.649 1
1 809 . 30 1 1 A 63 63 SER C C 63 174.827 173.500 1.327 1
1 810 . 30 1 1 A 63 63 SER CA C 63 62.954 58.586 4.368 1
1 811 . 30 1 1 A 63 63 SER CB C 63 65.586 65.497 0.089 1
1 812 . 30 1 1 A 63 63 SER N N 63 113.249 112.762 0.487 1
1 813 . 30 1 1 A 64 64 ASP H H 64 8.408 8.502 -0.094 1
1 814 . 30 1 1 A 64 64 ASP HA H 64 4.573 4.715 -0.142 1
1 817 . 30 1 1 A 64 64 ASP C C 64 176.027 174.676 1.351 1
1 818 . 30 1 1 A 64 64 ASP CA C 64 55.789 53.130 2.659 1
1 819 . 30 1 1 A 64 64 ASP CB C 64 42.365 40.228 2.137 1
1 820 . 30 1 1 A 64 64 ASP N N 64 117.587 121.044 -3.457 1
1 821 . 30 1 1 A 65 65 GLN H H 65 7.779 8.200 -0.421 1
1 822 . 30 1 1 A 65 65 GLN HA H 65 4.026 4.951 -0.925 1
1 829 . 30 1 1 A 65 65 GLN C C 65 176.827 174.549 2.278 1
1 830 . 30 1 1 A 65 65 GLN CA C 65 58.241 54.623 3.618 1
1 831 . 30 1 1 A 65 65 GLN CB C 65 31.309 32.285 -0.976 1
1 833 . 30 1 1 A 65 65 GLN N N 65 121.059 120.976 0.083 1
1 835 . 30 1 1 A 66 66 GLU H H 66 8.365 8.484 -0.119 1
1 836 . 30 1 1 A 66 66 GLU HA H 66 4.320 5.016 -0.696 1
1 841 . 30 1 1 A 66 66 GLU C C 66 176.227 175.782 0.445 1
1 842 . 30 1 1 A 66 66 GLU CA C 66 58.238 56.012 2.226 1
1 843 . 30 1 1 A 66 66 GLU CB C 66 32.567 31.645 0.922 1
1 845 . 30 1 1 A 66 66 GLU N N 66 123.061 121.097 1.964 1
1 846 . 30 1 1 A 67 67 ILE H H 67 9.350 8.971 0.379 1
1 847 . 30 1 1 A 67 67 ILE HA H 67 4.543 4.827 -0.284 1
1 857 . 30 1 1 A 67 67 ILE C C 67 178.127 175.621 2.506 1
1 858 . 30 1 1 A 67 67 ILE CA C 67 61.173 59.316 1.857 1
1 859 . 30 1 1 A 67 67 ILE CB C 67 41.460 41.475 -0.015 1
1 863 . 30 1 1 A 67 67 ILE N N 67 121.809 121.968 -0.159 1
1 864 . 30 1 1 A 68 68 ASP H H 68 8.140 8.815 -0.675 1
1 865 . 30 1 1 A 68 68 ASP HA H 68 5.408 5.178 0.230 1
1 868 . 30 1 1 A 68 68 ASP C C 68 176.127 177.617 -1.490 1
1 869 . 30 1 1 A 68 68 ASP CA C 68 53.471 52.645 0.826 1
1 870 . 30 1 1 A 68 68 ASP CB C 68 43.898 41.334 2.564 1
1 871 . 30 1 1 A 68 68 ASP N N 68 122.626 124.863 -2.237 1
1 872 . 30 1 1 A 69 69 PHE H H 69 9.486 8.465 1.021 1
1 873 . 30 1 1 A 69 69 PHE HA H 69 3.397 3.749 -0.352 1
1 880 . 30 1 1 A 69 69 PHE C C 69 174.727 178.123 -3.396 1
1 881 . 30 1 1 A 69 69 PHE CA C 69 63.764 60.711 3.053 1
1 882 . 30 1 1 A 69 69 PHE CB C 69 42.009 38.576 3.433 1
1 883 . 30 1 1 A 69 69 PHE N N 69 118.584 120.016 -1.432 1
1 884 . 30 1 1 A 70 70 LYS H H 70 7.510 8.382 -0.872 1
1 885 . 30 1 1 A 70 70 LYS HA H 70 3.633 4.008 -0.375 1
1 894 . 30 1 1 A 70 70 LYS C C 70 173.627 179.466 -5.839 1
1 895 . 30 1 1 A 70 70 LYS CA C 70 61.940 59.991 1.949 1
1 896 . 30 1 1 A 70 70 LYS CB C 70 33.189 32.266 0.923 1
1 900 . 30 1 1 A 70 70 LYS N N 70 117.327 121.410 -4.083 1
1 901 . 30 1 1 A 71 71 GLU H H 71 8.151 7.756 0.395 1
1 902 . 30 1 1 A 71 71 GLU HA H 71 3.930 4.255 -0.325 1
1 907 . 30 1 1 A 71 71 GLU C C 71 173.127 178.594 -5.467 1
1 908 . 30 1 1 A 71 71 GLU CA C 71 61.000 58.597 2.403 1
1 909 . 30 1 1 A 71 71 GLU CB C 71 31.639 29.138 2.501 1
1 911 . 30 1 1 A 71 71 GLU N N 71 120.925 119.176 1.749 1
1 912 . 30 1 1 A 72 72 TYR H H 72 8.454 7.922 0.532 1
1 913 . 30 1 1 A 72 72 TYR HA H 72 4.047 4.347 -0.300 1
1 920 . 30 1 1 A 72 72 TYR C C 72 177.227 177.690 -0.463 1
1 921 . 30 1 1 A 72 72 TYR CA C 72 62.068 61.491 0.577 1
1 922 . 30 1 1 A 72 72 TYR CB C 72 39.522 38.815 0.707 1
1 923 . 30 1 1 A 72 72 TYR N N 72 123.271 123.464 -0.193 1
1 924 . 30 1 1 A 73 73 SER H H 73 7.990 7.853 0.137 1
1 925 . 30 1 1 A 73 73 SER HA H 73 3.245 3.885 -0.640 1
1 928 . 30 1 1 A 73 73 SER C C 73 174.327 176.734 -2.407 1
1 929 . 30 1 1 A 73 73 SER CA C 73 62.841 61.352 1.489 1
1 930 . 30 1 1 A 73 73 SER CB C 73 64.317 62.756 1.561 1
1 931 . 30 1 1 A 73 73 SER N N 73 115.432 114.414 1.018 1
1 932 . 30 1 1 A 74 74 VAL H H 74 8.112 8.295 -0.183 1
1 933 . 30 1 1 A 74 74 VAL HA H 74 3.375 3.770 -0.395 1
1 941 . 30 1 1 A 74 74 VAL C C 74 174.427 178.222 -3.795 1
1 942 . 30 1 1 A 74 74 VAL CA C 74 68.677 65.882 2.795 1
1 943 . 30 1 1 A 74 74 VAL CB C 74 33.164 31.444 1.720 1
1 946 . 30 1 1 A 74 74 VAL N N 74 123.807 119.675 4.132 1
1 947 . 30 1 1 A 75 75 PHE H H 75 8.149 8.273 -0.124 1
1 948 . 30 1 1 A 75 75 PHE HA H 75 3.878 4.164 -0.286 1
1 955 . 30 1 1 A 75 75 PHE C C 75 174.627 177.052 -2.425 1
1 956 . 30 1 1 A 75 75 PHE CA C 75 64.444 61.222 3.222 1
1 957 . 30 1 1 A 75 75 PHE CB C 75 40.823 39.141 1.682 1
1 958 . 30 1 1 A 75 75 PHE N N 75 122.351 123.819 -1.468 1
1 959 . 30 1 1 A 76 76 LEU H H 76 8.141 8.240 -0.099 1
1 960 . 30 1 1 A 76 76 LEU HA H 76 3.648 3.972 -0.324 1
1 970 . 30 1 1 A 76 76 LEU C C 76 173.327 179.159 -5.832 1
1 971 . 30 1 1 A 76 76 LEU CA C 76 59.810 58.167 1.643 1
1 972 . 30 1 1 A 76 76 LEU CB C 76 42.994 41.772 1.222 1
1 976 . 30 1 1 A 76 76 LEU N N 76 116.801 119.821 -3.020 1
1 977 . 30 1 1 A 77 77 THR H H 77 8.005 8.192 -0.187 1
1 978 . 30 1 1 A 77 77 THR HA H 77 3.561 3.846 -0.285 1
1 984 . 30 1 1 A 77 77 THR C C 77 176.427 176.095 0.332 1
1 985 . 30 1 1 A 77 77 THR CA C 77 69.876 66.936 2.940 1
1 986 . 30 1 1 A 77 77 THR CB C 77 71.163 67.854 3.309 1
1 988 . 30 1 1 A 77 77 THR N N 77 116.415 115.951 0.464 1
1 989 . 30 1 1 A 78 78 MET H H 78 8.059 8.344 -0.285 1
1 990 . 30 1 1 A 78 78 MET HA H 78 3.771 4.201 -0.430 1
1 995 . 30 1 1 A 78 78 MET C C 78 172.927 178.098 -5.171 1
1 996 . 30 1 1 A 78 78 MET CA C 78 60.751 57.969 2.782 1
1 997 . 30 1 1 A 78 78 MET CB C 78 33.255 31.965 1.290 1
1 999 . 30 1 1 A 78 78 MET N N 78 120.960 119.883 1.077 1
1 1000 . 30 1 1 A 79 79 LEU H H 79 8.007 8.375 -0.368 1
1 1001 . 30 1 1 A 79 79 LEU HA H 79 3.646 4.009 -0.363 1
1 1011 . 30 1 1 A 79 79 LEU C C 79 174.527 178.584 -4.057 1
1 1012 . 30 1 1 A 79 79 LEU CA C 79 59.756 58.045 1.711 1
1 1013 . 30 1 1 A 79 79 LEU CB C 79 42.961 41.781 1.180 1
1 1017 . 30 1 1 A 79 79 LEU N N 79 120.772 119.416 1.356 1
1 1018 . 30 1 1 A 80 80 CYS H H 80 8.268 8.207 0.061 1
1 1019 . 30 1 1 A 80 80 CYS HA H 80 3.344 3.275 0.069 1
1 1022 . 30 1 1 A 80 80 CYS C C 80 176.127 177.303 -1.176 1
1 1023 . 30 1 1 A 80 80 CYS CA C 80 64.083 62.393 1.690 1
1 1024 . 30 1 1 A 80 80 CYS CB C 80 28.199 27.150 1.049 1
1 1025 . 30 1 1 A 80 80 CYS N N 80 118.257 117.713 0.544 1
1 1026 . 30 1 1 A 81 81 MET H H 81 7.600 7.574 0.026 1
1 1027 . 30 1 1 A 81 81 MET HA H 81 3.242 4.457 -1.215 1
1 1035 . 30 1 1 A 81 81 MET C C 81 176.227 176.871 -0.644 1
1 1036 . 30 1 1 A 81 81 MET CA C 81 60.091 56.606 3.485 1
1 1037 . 30 1 1 A 81 81 MET CB C 81 34.090 31.741 2.349 1
1 1040 . 30 1 1 A 81 81 MET N N 81 114.515 119.050 -4.535 1
1 1041 . 30 1 1 A 82 82 ALA H H 82 7.299 7.621 -0.322 1
1 1042 . 30 1 1 A 82 82 ALA HA H 82 4.121 4.237 -0.116 1
1 1046 . 30 1 1 A 82 82 ALA C C 82 173.827 177.371 -3.544 1
1 1047 . 30 1 1 A 82 82 ALA CA C 82 54.930 53.317 1.613 1
1 1048 . 30 1 1 A 82 82 ALA CB C 82 20.641 19.188 1.453 1
1 1049 . 30 1 1 A 82 82 ALA N N 82 118.977 120.716 -1.739 1
1 1050 . 30 1 1 A 83 83 TYR H H 83 7.623 7.539 0.084 1
1 1051 . 30 1 1 A 83 83 TYR HA H 83 4.771 4.729 0.042 1
1 1058 . 30 1 1 A 83 83 TYR CA C 83 59.333 57.103 2.230 1
1 1059 . 30 1 1 A 83 83 TYR CB C 83 41.599 40.372 1.227 1
1 1060 . 30 1 1 A 83 83 TYR N N 83 113.311 113.056 0.255 1
1 1061 . 30 1 1 A 84 84 ASN HA H 84 4.534 4.864 -0.330 1
1 1064 . 30 1 1 A 84 84 ASN CA C 84 56.126 51.453 4.673 1
1 1065 . 30 1 1 A 84 84 ASN CB C 84 41.990 37.598 4.392 1
1 1066 . 30 1 1 A 85 85 ASP H H 85 8.681 8.127 0.554 1
1 1067 . 30 1 1 A 85 85 ASP HA H 85 4.086 4.134 -0.048 1
1 1070 . 30 1 1 A 85 85 ASP CA C 85 58.457 56.723 1.734 1
1 1071 . 30 1 1 A 85 85 ASP CB C 85 42.260 39.973 2.287 1
1 1072 . 30 1 1 A 85 85 ASP N N 85 126.079 121.983 4.096 1
1 1073 . 30 1 1 A 86 86 PHE H H 86 8.672 7.057 1.615 1
1 1074 . 30 1 1 A 86 86 PHE HA H 86 3.744 4.210 -0.466 1
1 1081 . 30 1 1 A 86 86 PHE C C 86 176.827 178.236 -1.409 1
1 1082 . 30 1 1 A 86 86 PHE CA C 86 62.903 60.741 2.162 1
1 1083 . 30 1 1 A 86 86 PHE CB C 86 41.596 38.236 3.360 1
1 1084 . 30 1 1 A 86 86 PHE N N 86 121.950 118.035 3.915 1
1 1085 . 30 1 1 A 87 87 PHE H H 87 7.225 7.500 -0.275 1
1 1086 . 30 1 1 A 87 87 PHE HA H 87 3.836 4.484 -0.648 1
1 1093 . 30 1 1 A 87 87 PHE C C 87 176.927 175.856 1.071 1
1 1094 . 30 1 1 A 87 87 PHE CA C 87 60.422 60.737 -0.315 1
1 1095 . 30 1 1 A 87 87 PHE CB C 87 41.081 38.331 2.750 1
1 1096 . 30 1 1 A 87 87 PHE N N 87 110.928 117.951 -7.023 1
1 1097 . 30 1 1 A 88 88 LEU H H 88 7.130 7.740 -0.610 1
1 1098 . 30 1 1 A 88 88 LEU HA H 88 4.169 4.646 -0.477 1
1 1108 . 30 1 1 A 88 88 LEU C C 88 175.027 176.562 -1.535 1
1 1109 . 30 1 1 A 88 88 LEU CA C 88 56.962 53.850 3.112 1
1 1110 . 30 1 1 A 88 88 LEU CB C 88 44.199 42.617 1.582 1
1 1114 . 30 1 1 A 88 88 LEU N N 88 119.732 120.360 -0.628 1
1 1115 . 30 1 1 A 89 89 GLU H H 89 8.097 8.346 -0.249 1
1 1116 . 30 1 1 A 89 89 GLU HA H 89 4.087 4.597 -0.510 1
1 1121 . 30 1 1 A 89 89 GLU C C 89 176.427 175.199 1.228 1
1 1122 . 30 1 1 A 89 89 GLU CA C 89 58.216 57.676 0.540 1
1 1123 . 30 1 1 A 89 89 GLU CB C 89 32.309 32.501 -0.192 1
1 1125 . 30 1 1 A 89 89 GLU N N 89 121.626 121.143 0.483 1
1 1126 . 30 1 1 A 90 90 ASP H H 90 8.243 7.780 0.463 1
1 1127 . 30 1 1 A 90 90 ASP HA H 90 4.425 4.813 -0.388 1
1 1130 . 30 1 1 A 90 90 ASP C C 90 176.527 174.136 2.391 1
1 1131 . 30 1 1 A 90 90 ASP CA C 90 55.815 53.377 2.438 1
1 1132 . 30 1 1 A 90 90 ASP CB C 90 42.874 43.289 -0.415 1
1 1133 . 30 1 1 A 90 90 ASP N N 90 121.280 117.904 3.376 1
1 1134 . 30 1 1 A 91 91 ASN H H 91 8.267 8.541 -0.274 1
1 1135 . 30 1 1 A 91 91 ASN HA H 91 4.563 4.782 -0.219 1
1 1140 . 30 1 1 A 91 91 ASN C C 91 178.127 174.574 3.553 1
1 1141 . 30 1 1 A 91 91 ASN CA C 91 54.928 53.184 1.744 1
1 1142 . 30 1 1 A 91 91 ASN CB C 91 40.529 36.830 3.699 1
1 1143 . 30 1 1 A 91 91 ASN N N 91 119.209 118.983 0.226 1
1 14 . 31 1 1 A 2 2 GLU H H 2 8.722 8.693 0.029 1
1 15 . 31 1 1 A 2 2 GLU HA H 2 4.557 4.530 0.027 1
1 20 . 31 1 1 A 2 2 GLU C C 2 175.827 176.431 -0.604 1
1 21 . 31 1 1 A 2 2 GLU CA C 2 58.063 57.600 0.463 1
1 22 . 31 1 1 A 2 2 GLU CB C 2 33.147 30.981 2.166 1
1 24 . 31 1 1 A 2 2 GLU N N 2 124.627 124.762 -0.135 1
1 25 . 31 1 1 A 3 3 THR H H 3 8.670 7.495 1.175 1
1 26 . 31 1 1 A 3 3 THR HA H 3 4.616 4.534 0.082 1
1 31 . 31 1 1 A 3 3 THR CA C 3 61.734 60.220 1.514 1
1 32 . 31 1 1 A 3 3 THR CB C 3 70.590 68.979 1.611 1
1 34 . 31 1 1 A 3 3 THR N N 3 116.274 112.064 4.210 1
1 35 . 31 1 1 A 4 4 PRO HA H 4 4.161 4.433 -0.272 1
1 42 . 31 1 1 A 4 4 PRO C C 4 172.227 177.852 -5.625 1
1 43 . 31 1 1 A 4 4 PRO CA C 4 68.211 65.269 2.942 1
1 44 . 31 1 1 A 4 4 PRO CB C 4 33.796 32.003 1.793 1
1 47 . 31 1 1 A 5 5 LEU H H 5 9.207 7.711 1.496 1
1 48 . 31 1 1 A 5 5 LEU HA H 5 4.038 4.049 -0.011 1
1 58 . 31 1 1 A 5 5 LEU C C 5 174.327 178.328 -4.001 1
1 59 . 31 1 1 A 5 5 LEU CA C 5 59.483 57.370 2.113 1
1 60 . 31 1 1 A 5 5 LEU CB C 5 43.877 41.935 1.942 1
1 64 . 31 1 1 A 5 5 LEU N N 5 119.157 117.476 1.681 1
1 65 . 31 1 1 A 6 6 GLU H H 6 7.661 8.182 -0.521 1
1 66 . 31 1 1 A 6 6 GLU HA H 6 3.755 4.040 -0.285 1
1 71 . 31 1 1 A 6 6 GLU C C 6 172.727 178.788 -6.061 1
1 72 . 31 1 1 A 6 6 GLU CA C 6 61.953 59.421 2.532 1
1 73 . 31 1 1 A 6 6 GLU CB C 6 31.354 29.258 2.096 1
1 75 . 31 1 1 A 6 6 GLU N N 6 119.837 118.956 0.881 1
1 76 . 31 1 1 A 7 7 LYS H H 7 8.430 7.969 0.461 1
1 77 . 31 1 1 A 7 7 LYS HA H 7 3.921 4.055 -0.134 1
1 86 . 31 1 1 A 7 7 LYS C C 7 172.927 178.910 -5.983 1
1 87 . 31 1 1 A 7 7 LYS CA C 7 61.312 58.929 2.383 1
1 88 . 31 1 1 A 7 7 LYS CB C 7 33.861 32.151 1.710 1
1 92 . 31 1 1 A 7 7 LYS N N 7 119.023 119.177 -0.154 1
1 93 . 31 1 1 A 8 8 ALA H H 8 8.079 7.816 0.263 1
1 94 . 31 1 1 A 8 8 ALA HA H 8 4.085 4.084 0.001 1
1 98 . 31 1 1 A 8 8 ALA C C 8 173.027 180.336 -7.309 1
1 99 . 31 1 1 A 8 8 ALA CA C 8 56.967 54.904 2.063 1
1 100 . 31 1 1 A 8 8 ALA CB C 8 20.140 18.316 1.824 1
1 101 . 31 1 1 A 8 8 ALA N N 8 123.824 122.587 1.237 1
1 102 . 31 1 1 A 9 9 LEU H H 9 8.032 8.080 -0.048 1
1 103 . 31 1 1 A 9 9 LEU HA H 9 4.061 4.066 -0.005 1
1 113 . 31 1 1 A 9 9 LEU C C 9 172.527 179.278 -6.751 1
1 114 . 31 1 1 A 9 9 LEU CA C 9 60.071 57.907 2.164 1
1 115 . 31 1 1 A 9 9 LEU CB C 9 42.714 42.770 -0.056 1
1 119 . 31 1 1 A 9 9 LEU N N 9 118.643 118.366 0.277 1
1 120 . 31 1 1 A 10 10 THR H H 10 8.686 8.348 0.338 1
1 121 . 31 1 1 A 10 10 THR HA H 10 3.798 3.940 -0.142 1
1 126 . 31 1 1 A 10 10 THR C C 10 175.127 176.847 -1.720 1
1 127 . 31 1 1 A 10 10 THR CA C 10 69.282 66.587 2.695 1
1 128 . 31 1 1 A 10 10 THR CB C 10 70.132 68.675 1.457 1
1 130 . 31 1 1 A 10 10 THR N N 10 117.087 114.019 3.068 1
1 131 . 31 1 1 A 11 11 THR H H 11 8.628 8.027 0.601 1
1 132 . 31 1 1 A 11 11 THR HA H 11 3.961 3.946 0.015 1
1 137 . 31 1 1 A 11 11 THR C C 11 174.427 176.708 -2.281 1
1 138 . 31 1 1 A 11 11 THR CA C 11 68.408 66.697 1.711 1
1 139 . 31 1 1 A 11 11 THR CB C 11 69.107 68.104 1.003 1
1 141 . 31 1 1 A 11 11 THR N N 11 120.770 116.584 4.186 1
1 142 . 31 1 1 A 12 12 MET H H 12 8.390 8.541 -0.151 1
1 143 . 31 1 1 A 12 12 MET HA H 12 3.956 4.584 -0.628 1
1 151 . 31 1 1 A 12 12 MET C C 12 175.127 178.471 -3.344 1
1 152 . 31 1 1 A 12 12 MET CA C 12 62.750 58.610 4.140 1
1 153 . 31 1 1 A 12 12 MET CB C 12 34.952 32.930 2.022 1
1 156 . 31 1 1 A 12 12 MET N N 12 124.388 118.841 5.547 1
1 157 . 31 1 1 A 13 13 VAL H H 13 8.104 8.748 -0.644 1
1 158 . 31 1 1 A 13 13 VAL HA H 13 3.576 3.597 -0.021 1
1 166 . 31 1 1 A 13 13 VAL C C 13 175.327 178.069 -2.742 1
1 167 . 31 1 1 A 13 13 VAL CA C 13 68.958 65.568 3.390 1
1 168 . 31 1 1 A 13 13 VAL CB C 13 33.703 31.339 2.364 1
1 171 . 31 1 1 A 13 13 VAL N N 13 121.753 116.639 5.114 1
1 172 . 31 1 1 A 14 14 THR H H 14 9.186 8.296 0.890 1
1 173 . 31 1 1 A 14 14 THR HA H 14 3.774 4.021 -0.247 1
1 178 . 31 1 1 A 14 14 THR C C 14 173.927 177.178 -3.251 1
1 179 . 31 1 1 A 14 14 THR CA C 14 67.955 66.062 1.893 1
1 180 . 31 1 1 A 14 14 THR CB C 14 70.504 68.817 1.687 1
1 182 . 31 1 1 A 14 14 THR N N 14 114.911 116.444 -1.533 1
1 183 . 31 1 1 A 15 15 THR H H 15 8.453 8.141 0.312 1
1 184 . 31 1 1 A 15 15 THR HA H 15 3.859 4.087 -0.228 1
1 190 . 31 1 1 A 15 15 THR C C 15 178.127 176.255 1.872 1
1 191 . 31 1 1 A 15 15 THR CA C 15 69.609 67.017 2.592 1
1 192 . 31 1 1 A 15 15 THR CB C 15 70.511 68.590 1.921 1
1 194 . 31 1 1 A 15 15 THR N N 15 118.791 116.774 2.017 1
1 195 . 31 1 1 A 16 16 PHE H H 16 7.207 8.540 -1.333 1
1 196 . 31 1 1 A 16 16 PHE HA H 16 3.572 4.180 -0.608 1
1 203 . 31 1 1 A 16 16 PHE C C 16 178.527 177.235 1.292 1
1 204 . 31 1 1 A 16 16 PHE CA C 16 64.090 61.925 2.165 1
1 205 . 31 1 1 A 16 16 PHE CB C 16 41.091 38.668 2.423 1
1 206 . 31 1 1 A 16 16 PHE N N 16 121.331 121.466 -0.135 1
1 207 . 31 1 1 A 17 17 HIS H H 17 8.393 8.378 0.015 1
1 208 . 31 1 1 A 17 17 HIS HA H 17 5.329 4.432 0.897 1
1 211 . 31 1 1 A 17 17 HIS C C 17 174.627 177.113 -2.486 1
1 212 . 31 1 1 A 17 17 HIS CA C 17 56.667 59.925 -3.258 1
1 213 . 31 1 1 A 17 17 HIS CB C 17 32.397 29.484 2.913 1
1 214 . 31 1 1 A 17 17 HIS N N 17 117.858 118.995 -1.137 1
1 215 . 31 1 1 A 18 18 LYS H H 18 7.767 7.616 0.151 1
1 216 . 31 1 1 A 18 18 LYS HA H 18 3.553 3.710 -0.157 1
1 225 . 31 1 1 A 18 18 LYS C C 18 175.527 177.368 -1.841 1
1 226 . 31 1 1 A 18 18 LYS CA C 18 61.301 58.879 2.422 1
1 227 . 31 1 1 A 18 18 LYS CB C 18 33.523 31.945 1.578 1
1 231 . 31 1 1 A 18 18 LYS N N 18 120.691 118.727 1.964 1
1 232 . 31 1 1 A 19 19 TYR H H 19 7.079 7.438 -0.359 1
1 233 . 31 1 1 A 19 19 TYR HA H 19 3.993 4.336 -0.343 1
1 240 . 31 1 1 A 19 19 TYR C C 19 174.227 176.699 -2.472 1
1 241 . 31 1 1 A 19 19 TYR CA C 19 61.287 58.553 2.734 1
1 242 . 31 1 1 A 19 19 TYR CB C 19 42.066 39.139 2.927 1
1 243 . 31 1 1 A 19 19 TYR N N 19 114.592 117.393 -2.801 1
1 244 . 31 1 1 A 20 20 SER H H 20 9.708 7.892 1.816 1
1 245 . 31 1 1 A 20 20 SER HA H 20 4.117 4.069 0.048 1
1 248 . 31 1 1 A 20 20 SER C C 20 175.227 176.622 -1.395 1
1 249 . 31 1 1 A 20 20 SER CA C 20 60.135 60.868 -0.733 1
1 250 . 31 1 1 A 20 20 SER CB C 20 63.159 62.836 0.323 1
1 251 . 31 1 1 A 20 20 SER N N 20 121.764 114.625 7.139 1
1 252 . 31 1 1 A 21 21 GLY H H 21 8.146 8.132 0.014 1
1 253 . 31 1 1 A 21 21 GLY HA2 H 21 3.956 3.825 0.131 1
1 254 . 31 1 1 A 21 21 GLY HA3 H 21 3.571 3.848 -0.277 1
1 255 . 31 1 1 A 21 21 GLY C C 21 177.927 175.563 2.364 1
1 256 . 31 1 1 A 21 21 GLY CA C 21 46.646 46.169 0.477 1
1 257 . 31 1 1 A 21 21 GLY N N 21 106.982 109.219 -2.237 1
1 258 . 31 1 1 A 22 22 ARG H H 22 7.007 8.201 -1.194 1
1 259 . 31 1 1 A 22 22 ARG HA H 22 3.815 3.944 -0.129 1
1 266 . 31 1 1 A 22 22 ARG C C 22 175.927 177.014 -1.087 1
1 267 . 31 1 1 A 22 22 ARG CA C 22 60.766 58.821 1.945 1
1 268 . 31 1 1 A 22 22 ARG CB C 22 32.302 29.732 2.570 1
1 271 . 31 1 1 A 22 22 ARG N N 22 118.055 120.039 -1.984 1
1 272 . 31 1 1 A 23 23 GLU H H 23 7.551 8.070 -0.519 1
1 273 . 31 1 1 A 23 23 GLU HA H 23 4.436 4.450 -0.014 1
1 278 . 31 1 1 A 23 23 GLU C C 23 177.727 177.642 0.085 1
1 279 . 31 1 1 A 23 23 GLU CA C 23 56.853 56.944 -0.091 1
1 280 . 31 1 1 A 23 23 GLU CB C 23 33.988 32.011 1.977 1
1 282 . 31 1 1 A 23 23 GLU N N 23 114.631 117.812 -3.181 1
1 283 . 31 1 1 A 24 24 GLY H H 24 8.376 8.042 0.334 1
1 284 . 31 1 1 A 24 24 GLY HA2 H 24 3.771 3.690 0.081 1
1 285 . 31 1 1 A 24 24 GLY HA3 H 24 3.567 3.806 -0.239 1
1 286 . 31 1 1 A 24 24 GLY C C 24 177.127 174.333 2.794 1
1 287 . 31 1 1 A 24 24 GLY CA C 24 47.718 47.086 0.632 1
1 288 . 31 1 1 A 24 24 GLY N N 24 107.626 109.023 -1.397 1
1 289 . 31 1 1 A 25 25 SER H H 25 8.443 7.250 1.193 1
1 290 . 31 1 1 A 25 25 SER HA H 25 4.314 4.583 -0.269 1
1 293 . 31 1 1 A 25 25 SER C C 25 175.527 172.892 2.635 1
1 294 . 31 1 1 A 25 25 SER CA C 25 59.146 56.929 2.217 1
1 295 . 31 1 1 A 25 25 SER CB C 25 65.573 64.662 0.911 1
1 296 . 31 1 1 A 25 25 SER N N 25 119.000 111.850 7.150 1
1 297 . 31 1 1 A 26 26 LYS H H 26 8.821 8.759 0.062 1
1 298 . 31 1 1 A 26 26 LYS HA H 26 4.307 4.394 -0.087 1
1 307 . 31 1 1 A 26 26 LYS C C 26 176.027 177.647 -1.620 1
1 308 . 31 1 1 A 26 26 LYS CA C 26 59.180 57.513 1.667 1
1 309 . 31 1 1 A 26 26 LYS CB C 26 33.211 32.457 0.754 1
1 313 . 31 1 1 A 26 26 LYS N N 26 126.125 124.617 1.508 1
1 314 . 31 1 1 A 27 27 LEU H H 27 8.237 7.892 0.345 1
1 315 . 31 1 1 A 27 27 LEU HA H 27 4.534 4.666 -0.132 1
1 325 . 31 1 1 A 27 27 LEU C C 27 175.627 176.303 -0.676 1
1 326 . 31 1 1 A 27 27 LEU CA C 27 56.384 55.095 1.289 1
1 327 . 31 1 1 A 27 27 LEU CB C 27 44.218 43.471 0.747 1
1 331 . 31 1 1 A 27 27 LEU N N 27 117.484 113.188 4.296 1
1 332 . 31 1 1 A 28 28 THR H H 28 7.386 8.014 -0.628 1
1 333 . 31 1 1 A 28 28 THR HA H 28 5.517 5.417 0.100 1
1 338 . 31 1 1 A 28 28 THR C C 28 180.227 172.476 7.751 1
1 339 . 31 1 1 A 28 28 THR CA C 28 61.014 60.435 0.579 1
1 340 . 31 1 1 A 28 28 THR CB C 28 75.348 73.072 2.276 1
1 342 . 31 1 1 A 28 28 THR N N 28 106.230 109.504 -3.274 1
1 343 . 31 1 1 A 29 29 LEU H H 29 8.721 8.345 0.376 1
1 344 . 31 1 1 A 29 29 LEU HA H 29 4.713 4.841 -0.128 1
1 354 . 31 1 1 A 29 29 LEU C C 29 176.927 175.754 1.173 1
1 355 . 31 1 1 A 29 29 LEU CA C 29 55.163 53.779 1.384 1
1 356 . 31 1 1 A 29 29 LEU CB C 29 46.059 44.630 1.429 1
1 360 . 31 1 1 A 29 29 LEU N N 29 116.728 117.973 -1.245 1
1 361 . 31 1 1 A 30 30 SER H H 30 8.866 8.479 0.387 1
1 362 . 31 1 1 A 30 30 SER HA H 30 4.942 4.751 0.191 1
1 365 . 31 1 1 A 30 30 SER C C 30 176.327 175.250 1.077 1
1 366 . 31 1 1 A 30 30 SER CA C 30 59.032 59.252 -0.220 1
1 367 . 31 1 1 A 30 30 SER CB C 30 67.150 63.562 3.588 1
1 368 . 31 1 1 A 30 30 SER N N 30 117.110 117.361 -0.251 1
1 369 . 31 1 1 A 31 31 ARG H H 31 8.393 8.977 -0.584 1
1 370 . 31 1 1 A 31 31 ARG HA H 31 3.695 3.989 -0.294 1
1 377 . 31 1 1 A 31 31 ARG C C 31 174.127 177.294 -3.167 1
1 378 . 31 1 1 A 31 31 ARG CA C 31 62.776 59.286 3.490 1
1 379 . 31 1 1 A 31 31 ARG CB C 31 31.601 29.896 1.705 1
1 382 . 31 1 1 A 31 31 ARG N N 31 121.109 125.483 -4.374 1
1 383 . 31 1 1 A 32 32 LYS H H 32 8.264 7.853 0.411 1
1 384 . 31 1 1 A 32 32 LYS HA H 32 3.912 4.038 -0.126 1
1 393 . 31 1 1 A 32 32 LYS C C 32 172.827 179.611 -6.784 1
1 394 . 31 1 1 A 32 32 LYS CA C 32 61.591 58.937 2.654 1
1 395 . 31 1 1 A 32 32 LYS CB C 32 34.116 31.794 2.322 1
1 399 . 31 1 1 A 32 32 LYS N N 32 118.536 119.325 -0.789 1
1 400 . 31 1 1 A 33 33 GLU H H 33 7.790 8.149 -0.359 1
1 401 . 31 1 1 A 33 33 GLU HA H 33 4.049 4.071 -0.022 1
1 406 . 31 1 1 A 33 33 GLU C C 33 174.327 178.836 -4.509 1
1 407 . 31 1 1 A 33 33 GLU CA C 33 60.634 59.377 1.257 1
1 408 . 31 1 1 A 33 33 GLU CB C 33 31.617 29.157 2.460 1
1 410 . 31 1 1 A 33 33 GLU N N 33 121.557 119.222 2.335 1
1 411 . 31 1 1 A 34 34 LEU H H 34 8.388 8.003 0.385 1
1 412 . 31 1 1 A 34 34 LEU HA H 34 3.844 3.958 -0.114 1
1 422 . 31 1 1 A 34 34 LEU C C 34 174.927 178.512 -3.585 1
1 423 . 31 1 1 A 34 34 LEU CA C 34 59.173 58.384 0.789 1
1 424 . 31 1 1 A 34 34 LEU CB C 34 42.053 41.503 0.550 1
1 428 . 31 1 1 A 34 34 LEU N N 34 120.999 122.256 -1.257 1
1 429 . 31 1 1 A 35 35 LYS H H 35 7.817 7.672 0.145 1
1 430 . 31 1 1 A 35 35 LYS HA H 35 3.478 3.816 -0.338 1
1 439 . 31 1 1 A 35 35 LYS C C 35 174.627 178.228 -3.601 1
1 440 . 31 1 1 A 35 35 LYS CA C 35 62.312 59.481 2.831 1
1 441 . 31 1 1 A 35 35 LYS CB C 35 33.814 32.130 1.684 1
1 445 . 31 1 1 A 35 35 LYS N N 35 118.738 118.719 0.019 1
1 446 . 31 1 1 A 36 36 GLU H H 36 7.208 7.576 -0.368 1
1 447 . 31 1 1 A 36 36 GLU HA H 36 3.801 4.175 -0.374 1
1 452 . 31 1 1 A 36 36 GLU C C 36 175.227 178.635 -3.408 1
1 453 . 31 1 1 A 36 36 GLU CA C 36 61.015 58.824 2.191 1
1 454 . 31 1 1 A 36 36 GLU CB C 36 30.770 29.360 1.410 1
1 456 . 31 1 1 A 36 36 GLU N N 36 118.771 118.760 0.011 1
1 457 . 31 1 1 A 37 37 LEU H H 37 8.038 8.054 -0.016 1
1 458 . 31 1 1 A 37 37 LEU HA H 37 3.178 3.681 -0.503 1
1 468 . 31 1 1 A 37 37 LEU C C 37 172.927 178.419 -5.492 1
1 469 . 31 1 1 A 37 37 LEU CA C 37 60.915 58.011 2.904 1
1 470 . 31 1 1 A 37 37 LEU CB C 37 43.352 41.079 2.273 1
1 474 . 31 1 1 A 37 37 LEU N N 37 121.767 120.831 0.936 1
1 475 . 31 1 1 A 38 38 ILE H H 38 8.224 7.927 0.297 1
1 476 . 31 1 1 A 38 38 ILE HA H 38 3.234 3.977 -0.743 1
1 486 . 31 1 1 A 38 38 ILE C C 38 174.727 176.545 -1.818 1
1 487 . 31 1 1 A 38 38 ILE CA C 38 66.464 63.579 2.885 1
1 488 . 31 1 1 A 38 38 ILE CB C 38 38.799 37.731 1.068 1
1 492 . 31 1 1 A 38 38 ILE N N 38 119.417 119.889 -0.472 1
1 493 . 31 1 1 A 39 39 LYS H H 39 7.700 8.042 -0.342 1
1 494 . 31 1 1 A 39 39 LYS HA H 39 3.894 4.623 -0.729 1
1 503 . 31 1 1 A 39 39 LYS C C 39 173.727 177.022 -3.295 1
1 504 . 31 1 1 A 39 39 LYS CA C 39 61.015 55.626 5.389 1
1 505 . 31 1 1 A 39 39 LYS CB C 39 34.100 32.996 1.104 1
1 509 . 31 1 1 A 39 39 LYS N N 39 117.277 119.109 -1.832 1
1 510 . 31 1 1 A 40 40 LYS H H 40 8.170 7.849 0.321 1
1 511 . 31 1 1 A 40 40 LYS HA H 40 4.226 4.421 -0.195 1
1 520 . 31 1 1 A 40 40 LYS C C 40 173.427 178.314 -4.887 1
1 521 . 31 1 1 A 40 40 LYS CA C 40 59.251 57.179 2.072 1
1 522 . 31 1 1 A 40 40 LYS CB C 40 35.528 34.408 1.120 1
1 526 . 31 1 1 A 40 40 LYS N N 40 115.146 117.273 -2.127 1
1 527 . 31 1 1 A 41 41 GLU H H 41 8.778 8.170 0.608 1
1 528 . 31 1 1 A 41 41 GLU HA H 41 4.629 4.230 0.399 1
1 533 . 31 1 1 A 41 41 GLU C C 41 175.527 176.224 -0.697 1
1 534 . 31 1 1 A 41 41 GLU CA C 41 57.177 59.204 -2.027 1
1 535 . 31 1 1 A 41 41 GLU CB C 41 31.656 29.462 2.194 1
1 537 . 31 1 1 A 41 41 GLU N N 41 113.604 118.461 -4.857 1
1 538 . 31 1 1 A 42 42 LEU H H 42 7.610 7.095 0.515 1
1 539 . 31 1 1 A 42 42 LEU HA H 42 4.475 4.659 -0.184 1
1 549 . 31 1 1 A 42 42 LEU C C 42 177.227 176.300 0.927 1
1 550 . 31 1 1 A 42 42 LEU CA C 42 56.047 54.117 1.930 1
1 551 . 31 1 1 A 42 42 LEU CB C 42 45.748 43.820 1.928 1
1 555 . 31 1 1 A 42 42 LEU N N 42 118.997 120.397 -1.400 1
1 556 . 31 1 1 A 43 43 CYS H H 43 8.501 8.786 -0.285 1
1 557 . 31 1 1 A 43 43 CYS HA H 43 4.397 4.377 0.020 1
1 560 . 31 1 1 A 43 43 CYS C C 43 177.327 174.913 2.414 1
1 561 . 31 1 1 A 43 43 CYS CA C 43 60.023 61.478 -1.455 1
1 562 . 31 1 1 A 43 43 CYS CB C 43 27.915 27.658 0.257 1
1 563 . 31 1 1 A 43 43 CYS N N 43 119.622 124.580 -4.958 1
1 564 . 31 1 1 A 44 44 LEU H H 44 8.200 7.625 0.575 1
1 565 . 31 1 1 A 44 44 LEU HA H 44 3.979 4.298 -0.319 1
1 575 . 31 1 1 A 44 44 LEU C C 44 173.927 177.826 -3.899 1
1 576 . 31 1 1 A 44 44 LEU CA C 44 57.244 55.761 1.483 1
1 577 . 31 1 1 A 44 44 LEU CB C 44 43.622 41.393 2.229 1
1 581 . 31 1 1 A 44 44 LEU N N 44 121.955 120.022 1.933 1
1 582 . 31 1 1 A 45 45 GLY H H 45 8.244 8.684 -0.440 1
1 583 . 31 1 1 A 45 45 GLY HA2 H 45 3.849 4.078 -0.229 1
1 584 . 31 1 1 A 45 45 GLY HA3 H 45 3.789 4.209 -0.420 1
1 585 . 31 1 1 A 45 45 GLY C C 45 178.027 174.859 3.168 1
1 586 . 31 1 1 A 45 45 GLY CA C 45 47.023 45.449 1.574 1
1 587 . 31 1 1 A 45 45 GLY N N 45 107.702 114.008 -6.306 1
1 588 . 31 1 1 A 46 46 GLU H H 46 8.286 7.994 0.292 1
1 589 . 31 1 1 A 46 46 GLU HA H 46 4.039 4.539 -0.500 1
1 594 . 31 1 1 A 46 46 GLU C C 46 175.127 178.322 -3.195 1
1 595 . 31 1 1 A 46 46 GLU CA C 46 59.176 57.011 2.165 1
1 596 . 31 1 1 A 46 46 GLU CB C 46 31.361 31.571 -0.210 1
1 598 . 31 1 1 A 46 46 GLU N N 46 119.602 117.815 1.787 1
1 599 . 31 1 1 A 47 47 MET H H 47 8.048 8.095 -0.047 1
1 600 . 31 1 1 A 47 47 MET HA H 47 4.229 4.265 -0.036 1
1 608 . 31 1 1 A 47 47 MET C C 47 175.727 177.086 -1.359 1
1 609 . 31 1 1 A 47 47 MET CA C 47 58.183 57.929 0.254 1
1 610 . 31 1 1 A 47 47 MET CB C 47 34.087 32.592 1.495 1
1 613 . 31 1 1 A 47 47 MET N N 47 119.617 119.604 0.013 1
1 614 . 31 1 1 A 48 48 LYS H H 48 8.221 7.876 0.345 1
1 615 . 31 1 1 A 48 48 LYS HA H 48 4.217 4.462 -0.245 1
1 624 . 31 1 1 A 48 48 LYS C C 48 174.927 176.956 -2.029 1
1 625 . 31 1 1 A 48 48 LYS CA C 48 58.304 55.666 2.638 1
1 626 . 31 1 1 A 48 48 LYS CB C 48 34.548 34.722 -0.174 1
1 630 . 31 1 1 A 48 48 LYS N N 48 120.987 116.845 4.142 1
1 631 . 31 1 1 A 49 49 GLU H H 49 8.346 8.082 0.264 1
1 632 . 31 1 1 A 49 49 GLU HA H 49 3.922 4.308 -0.386 1
1 637 . 31 1 1 A 49 49 GLU C C 49 174.427 177.361 -2.934 1
1 638 . 31 1 1 A 49 49 GLU CA C 49 60.298 58.413 1.885 1
1 639 . 31 1 1 A 49 49 GLU CB C 49 31.065 29.302 1.763 1
1 641 . 31 1 1 A 49 49 GLU N N 49 121.867 120.625 1.242 1
1 642 . 31 1 1 A 50 50 SER H H 50 8.348 8.752 -0.404 1
1 643 . 31 1 1 A 50 50 SER HA H 50 4.172 4.172 0.000 1
1 647 . 31 1 1 A 50 50 SER C C 50 176.027 176.346 -0.319 1
1 648 . 31 1 1 A 50 50 SER CA C 50 62.548 61.350 1.198 1
1 649 . 31 1 1 A 50 50 SER CB C 50 64.840 62.893 1.947 1
1 650 . 31 1 1 A 50 50 SER N N 50 115.695 121.338 -5.643 1
1 651 . 31 1 1 A 51 51 SER H H 51 7.980 8.117 -0.137 1
1 652 . 31 1 1 A 51 51 SER HA H 51 4.258 4.295 -0.037 1
1 655 . 31 1 1 A 51 51 SER C C 51 174.427 176.137 -1.710 1
1 656 . 31 1 1 A 51 51 SER CA C 51 62.828 61.914 0.914 1
1 657 . 31 1 1 A 51 51 SER CB C 51 64.749 63.025 1.724 1
1 658 . 31 1 1 A 51 51 SER N N 51 117.126 118.643 -1.517 1
1 659 . 31 1 1 A 52 52 ILE H H 52 7.365 7.957 -0.592 1
1 660 . 31 1 1 A 52 52 ILE HA H 52 4.038 3.912 0.126 1
1 670 . 31 1 1 A 52 52 ILE C C 52 175.627 177.433 -1.806 1
1 671 . 31 1 1 A 52 52 ILE CA C 52 64.609 64.262 0.347 1
1 672 . 31 1 1 A 52 52 ILE CB C 52 39.272 37.534 1.738 1
1 676 . 31 1 1 A 52 52 ILE N N 52 117.484 117.535 -0.051 1
1 677 . 31 1 1 A 53 53 ASP H H 53 7.681 7.741 -0.060 1
1 678 . 31 1 1 A 53 53 ASP HA H 53 4.214 4.573 -0.359 1
1 681 . 31 1 1 A 53 53 ASP C C 53 174.027 177.853 -3.826 1
1 682 . 31 1 1 A 53 53 ASP CA C 53 59.799 56.399 3.400 1
1 683 . 31 1 1 A 53 53 ASP CB C 53 42.927 40.983 1.944 1
1 684 . 31 1 1 A 53 53 ASP N N 53 121.969 121.240 0.729 1
1 685 . 31 1 1 A 54 54 ASP H H 54 8.227 7.816 0.411 1
1 686 . 31 1 1 A 54 54 ASP HA H 54 4.231 4.335 -0.104 1
1 689 . 31 1 1 A 54 54 ASP C C 54 172.927 178.859 -5.932 1
1 690 . 31 1 1 A 54 54 ASP CA C 54 59.507 57.881 1.626 1
1 691 . 31 1 1 A 54 54 ASP CB C 54 41.818 41.947 -0.129 1
1 692 . 31 1 1 A 54 54 ASP N N 54 118.083 119.449 -1.366 1
1 693 . 31 1 1 A 55 55 LEU H H 55 7.650 8.154 -0.504 1
1 694 . 31 1 1 A 55 55 LEU HA H 55 4.016 4.208 -0.192 1
1 704 . 31 1 1 A 55 55 LEU C C 55 171.927 179.221 -7.294 1
1 705 . 31 1 1 A 55 55 LEU CA C 55 59.965 57.969 1.996 1
1 706 . 31 1 1 A 55 55 LEU CB C 55 43.370 41.248 2.122 1
1 710 . 31 1 1 A 55 55 LEU N N 55 121.634 120.129 1.505 1
1 711 . 31 1 1 A 56 56 MET H H 56 8.429 8.487 -0.058 1
1 712 . 31 1 1 A 56 56 MET HA H 56 4.325 4.129 0.196 1
1 720 . 31 1 1 A 56 56 MET C C 56 172.527 178.821 -6.294 1
1 721 . 31 1 1 A 56 56 MET CA C 56 59.221 59.251 -0.030 1
1 722 . 31 1 1 A 56 56 MET CB C 56 34.106 32.736 1.370 1
1 725 . 31 1 1 A 56 56 MET N N 56 118.696 117.265 1.431 1
1 726 . 31 1 1 A 57 57 LYS H H 57 8.249 8.379 -0.130 1
1 727 . 31 1 1 A 57 57 LYS HA H 57 3.996 4.169 -0.173 1
1 736 . 31 1 1 A 57 57 LYS C C 57 172.527 179.460 -6.933 1
1 737 . 31 1 1 A 57 57 LYS CA C 57 60.872 59.076 1.796 1
1 738 . 31 1 1 A 57 57 LYS CB C 57 33.853 32.255 1.598 1
1 742 . 31 1 1 A 57 57 LYS N N 57 119.855 119.257 0.598 1
1 743 . 31 1 1 A 58 58 SER H H 58 7.729 7.871 -0.142 1
1 744 . 31 1 1 A 58 58 SER HA H 58 4.125 4.306 -0.181 1
1 747 . 31 1 1 A 58 58 SER C C 58 176.527 177.397 -0.870 1
1 748 . 31 1 1 A 58 58 SER CA C 58 63.029 60.955 2.074 1
1 749 . 31 1 1 A 58 58 SER CB C 58 64.686 62.993 1.693 1
1 750 . 31 1 1 A 58 58 SER N N 58 115.984 115.141 0.843 1
1 751 . 31 1 1 A 59 59 LEU H H 59 7.288 8.151 -0.863 1
1 752 . 31 1 1 A 59 59 LEU HA H 59 4.058 3.949 0.109 1
1 762 . 31 1 1 A 59 59 LEU C C 59 175.827 178.429 -2.602 1
1 763 . 31 1 1 A 59 59 LEU CA C 59 57.364 57.933 -0.569 1
1 764 . 31 1 1 A 59 59 LEU CB C 59 42.712 41.369 1.343 1
1 768 . 31 1 1 A 59 59 LEU N N 59 120.622 122.763 -2.141 1
1 769 . 31 1 1 A 60 60 ASP H H 60 7.431 8.382 -0.951 1
1 770 . 31 1 1 A 60 60 ASP HA H 60 4.386 4.296 0.090 1
1 773 . 31 1 1 A 60 60 ASP C C 60 175.927 178.338 -2.411 1
1 774 . 31 1 1 A 60 60 ASP CA C 60 57.012 57.589 -0.577 1
1 775 . 31 1 1 A 60 60 ASP CB C 60 42.351 41.324 1.027 1
1 776 . 31 1 1 A 60 60 ASP N N 60 116.755 118.783 -2.028 1
1 777 . 31 1 1 A 61 61 LYS H H 61 7.243 7.742 -0.499 1
1 778 . 31 1 1 A 61 61 LYS HA H 61 4.223 4.092 0.131 1
1 787 . 31 1 1 A 61 61 LYS C C 61 176.527 177.673 -1.146 1
1 788 . 31 1 1 A 61 61 LYS CA C 61 57.287 59.143 -1.856 1
1 789 . 31 1 1 A 61 61 LYS CB C 61 34.683 32.652 2.031 1
1 793 . 31 1 1 A 61 61 LYS N N 61 119.913 118.383 1.530 1
1 794 . 31 1 1 A 62 62 ASN H H 62 8.725 7.509 1.216 1
1 795 . 31 1 1 A 62 62 ASN HA H 62 4.462 4.902 -0.440 1
1 800 . 31 1 1 A 62 62 ASN C C 62 175.627 175.717 -0.090 1
1 801 . 31 1 1 A 62 62 ASN CA C 62 55.452 53.218 2.234 1
1 802 . 31 1 1 A 62 62 ASN CB C 62 39.336 40.870 -1.534 1
1 803 . 31 1 1 A 62 62 ASN N N 62 120.247 115.179 5.068 1
1 805 . 31 1 1 A 63 63 SER H H 63 8.061 7.942 0.119 1
1 806 . 31 1 1 A 63 63 SER HA H 63 3.957 4.051 -0.094 1
1 809 . 31 1 1 A 63 63 SER C C 63 174.827 174.041 0.786 1
1 810 . 31 1 1 A 63 63 SER CA C 63 62.954 61.163 1.791 1
1 811 . 31 1 1 A 63 63 SER CB C 63 65.586 60.993 4.593 1
1 812 . 31 1 1 A 63 63 SER N N 63 113.249 112.532 0.717 1
1 813 . 31 1 1 A 64 64 ASP H H 64 8.408 8.348 0.060 1
1 814 . 31 1 1 A 64 64 ASP HA H 64 4.573 4.870 -0.297 1
1 817 . 31 1 1 A 64 64 ASP C C 64 176.027 175.407 0.620 1
1 818 . 31 1 1 A 64 64 ASP CA C 64 55.789 53.815 1.974 1
1 819 . 31 1 1 A 64 64 ASP CB C 64 42.365 42.179 0.186 1
1 820 . 31 1 1 A 64 64 ASP N N 64 117.587 117.308 0.279 1
1 821 . 31 1 1 A 65 65 GLN H H 65 7.779 7.625 0.154 1
1 822 . 31 1 1 A 65 65 GLN HA H 65 4.026 4.234 -0.208 1
1 829 . 31 1 1 A 65 65 GLN C C 65 176.827 175.837 0.990 1
1 830 . 31 1 1 A 65 65 GLN CA C 65 58.241 56.955 1.286 1
1 831 . 31 1 1 A 65 65 GLN CB C 65 31.309 29.084 2.225 1
1 833 . 31 1 1 A 65 65 GLN N N 65 121.059 120.305 0.754 1
1 835 . 31 1 1 A 66 66 GLU H H 66 8.365 8.729 -0.364 1
1 836 . 31 1 1 A 66 66 GLU HA H 66 4.320 4.598 -0.278 1
1 841 . 31 1 1 A 66 66 GLU C C 66 176.227 176.715 -0.488 1
1 842 . 31 1 1 A 66 66 GLU CA C 66 58.238 56.889 1.349 1
1 843 . 31 1 1 A 66 66 GLU CB C 66 32.567 30.425 2.142 1
1 845 . 31 1 1 A 66 66 GLU N N 66 123.061 121.861 1.200 1
1 846 . 31 1 1 A 67 67 ILE H H 67 9.350 9.093 0.257 1
1 847 . 31 1 1 A 67 67 ILE HA H 67 4.543 4.963 -0.420 1
1 857 . 31 1 1 A 67 67 ILE C C 67 178.127 174.966 3.161 1
1 858 . 31 1 1 A 67 67 ILE CA C 67 61.173 58.977 2.196 1
1 859 . 31 1 1 A 67 67 ILE CB C 67 41.460 41.517 -0.057 1
1 863 . 31 1 1 A 67 67 ILE N N 67 121.809 119.159 2.650 1
1 864 . 31 1 1 A 68 68 ASP H H 68 8.140 8.436 -0.296 1
1 865 . 31 1 1 A 68 68 ASP HA H 68 5.408 5.124 0.284 1
1 868 . 31 1 1 A 68 68 ASP C C 68 176.127 176.743 -0.616 1
1 869 . 31 1 1 A 68 68 ASP CA C 68 53.471 52.778 0.693 1
1 870 . 31 1 1 A 68 68 ASP CB C 68 43.898 40.260 3.638 1
1 871 . 31 1 1 A 68 68 ASP N N 68 122.626 121.397 1.229 1
1 872 . 31 1 1 A 69 69 PHE H H 69 9.486 8.289 1.197 1
1 873 . 31 1 1 A 69 69 PHE HA H 69 3.397 3.805 -0.408 1
1 880 . 31 1 1 A 69 69 PHE C C 69 174.727 175.715 -0.988 1
1 881 . 31 1 1 A 69 69 PHE CA C 69 63.764 58.916 4.848 1
1 882 . 31 1 1 A 69 69 PHE CB C 69 42.009 38.036 3.973 1
1 883 . 31 1 1 A 69 69 PHE N N 69 118.584 117.948 0.636 1
1 884 . 31 1 1 A 70 70 LYS H H 70 7.510 7.845 -0.335 1
1 885 . 31 1 1 A 70 70 LYS HA H 70 3.633 3.959 -0.326 1
1 894 . 31 1 1 A 70 70 LYS C C 70 173.627 178.889 -5.262 1
1 895 . 31 1 1 A 70 70 LYS CA C 70 61.940 59.378 2.562 1
1 896 . 31 1 1 A 70 70 LYS CB C 70 33.189 32.401 0.788 1
1 900 . 31 1 1 A 70 70 LYS N N 70 117.327 119.013 -1.686 1
1 901 . 31 1 1 A 71 71 GLU H H 71 8.151 8.004 0.147 1
1 902 . 31 1 1 A 71 71 GLU HA H 71 3.930 4.078 -0.148 1
1 907 . 31 1 1 A 71 71 GLU C C 71 173.127 178.572 -5.445 1
1 908 . 31 1 1 A 71 71 GLU CA C 71 61.000 59.469 1.531 1
1 909 . 31 1 1 A 71 71 GLU CB C 71 31.639 29.603 2.036 1
1 911 . 31 1 1 A 71 71 GLU N N 71 120.925 118.741 2.184 1
1 912 . 31 1 1 A 72 72 TYR H H 72 8.454 8.184 0.270 1
1 913 . 31 1 1 A 72 72 TYR HA H 72 4.047 4.290 -0.243 1
1 920 . 31 1 1 A 72 72 TYR C C 72 177.227 177.538 -0.311 1
1 921 . 31 1 1 A 72 72 TYR CA C 72 62.068 61.346 0.722 1
1 922 . 31 1 1 A 72 72 TYR CB C 72 39.522 38.824 0.698 1
1 923 . 31 1 1 A 72 72 TYR N N 72 123.271 122.136 1.135 1
1 924 . 31 1 1 A 73 73 SER H H 73 7.990 8.100 -0.110 1
1 925 . 31 1 1 A 73 73 SER HA H 73 3.245 4.043 -0.798 1
1 928 . 31 1 1 A 73 73 SER C C 73 174.327 176.511 -2.184 1
1 929 . 31 1 1 A 73 73 SER CA C 73 62.841 61.370 1.471 1
1 930 . 31 1 1 A 73 73 SER CB C 73 64.317 62.358 1.959 1
1 931 . 31 1 1 A 73 73 SER N N 73 115.432 114.591 0.841 1
1 932 . 31 1 1 A 74 74 VAL H H 74 8.112 7.922 0.190 1
1 933 . 31 1 1 A 74 74 VAL HA H 74 3.375 3.757 -0.382 1
1 941 . 31 1 1 A 74 74 VAL C C 74 174.427 178.193 -3.766 1
1 942 . 31 1 1 A 74 74 VAL CA C 74 68.677 65.461 3.216 1
1 943 . 31 1 1 A 74 74 VAL CB C 74 33.164 31.600 1.564 1
1 946 . 31 1 1 A 74 74 VAL N N 74 123.807 119.120 4.687 1
1 947 . 31 1 1 A 75 75 PHE H H 75 8.149 8.380 -0.231 1
1 948 . 31 1 1 A 75 75 PHE HA H 75 3.878 4.201 -0.323 1
1 955 . 31 1 1 A 75 75 PHE C C 75 174.627 176.876 -2.249 1
1 956 . 31 1 1 A 75 75 PHE CA C 75 64.444 61.355 3.089 1
1 957 . 31 1 1 A 75 75 PHE CB C 75 40.823 39.052 1.771 1
1 958 . 31 1 1 A 75 75 PHE N N 75 122.351 123.937 -1.586 1
1 959 . 31 1 1 A 76 76 LEU H H 76 8.141 8.457 -0.316 1
1 960 . 31 1 1 A 76 76 LEU HA H 76 3.648 3.804 -0.156 1
1 970 . 31 1 1 A 76 76 LEU C C 76 173.327 179.066 -5.739 1
1 971 . 31 1 1 A 76 76 LEU CA C 76 59.810 57.921 1.889 1
1 972 . 31 1 1 A 76 76 LEU CB C 76 42.994 41.394 1.600 1
1 976 . 31 1 1 A 76 76 LEU N N 76 116.801 119.489 -2.688 1
1 977 . 31 1 1 A 77 77 THR H H 77 8.005 8.057 -0.052 1
1 978 . 31 1 1 A 77 77 THR HA H 77 3.561 3.753 -0.192 1
1 984 . 31 1 1 A 77 77 THR C C 77 176.427 176.004 0.423 1
1 985 . 31 1 1 A 77 77 THR CA C 77 69.876 66.756 3.120 1
1 986 . 31 1 1 A 77 77 THR CB C 77 71.163 67.720 3.443 1
1 988 . 31 1 1 A 77 77 THR N N 77 116.415 116.203 0.212 1
1 989 . 31 1 1 A 78 78 MET H H 78 8.059 8.027 0.032 1
1 990 . 31 1 1 A 78 78 MET HA H 78 3.771 4.150 -0.379 1
1 995 . 31 1 1 A 78 78 MET C C 78 172.927 178.561 -5.634 1
1 996 . 31 1 1 A 78 78 MET CA C 78 60.751 57.791 2.960 1
1 997 . 31 1 1 A 78 78 MET CB C 78 33.255 31.911 1.344 1
1 999 . 31 1 1 A 78 78 MET N N 78 120.960 119.749 1.211 1
1 1000 . 31 1 1 A 79 79 LEU H H 79 8.007 8.187 -0.180 1
1 1001 . 31 1 1 A 79 79 LEU HA H 79 3.646 3.875 -0.229 1
1 1011 . 31 1 1 A 79 79 LEU C C 79 174.527 178.019 -3.492 1
1 1012 . 31 1 1 A 79 79 LEU CA C 79 59.756 57.728 2.028 1
1 1013 . 31 1 1 A 79 79 LEU CB C 79 42.961 41.393 1.568 1
1 1017 . 31 1 1 A 79 79 LEU N N 79 120.772 120.317 0.455 1
1 1018 . 31 1 1 A 80 80 CYS H H 80 8.268 8.348 -0.080 1
1 1019 . 31 1 1 A 80 80 CYS HA H 80 3.344 2.662 0.682 1
1 1022 . 31 1 1 A 80 80 CYS C C 80 176.127 177.202 -1.075 1
1 1023 . 31 1 1 A 80 80 CYS CA C 80 64.083 62.107 1.976 1
1 1024 . 31 1 1 A 80 80 CYS CB C 80 28.199 26.786 1.413 1
1 1025 . 31 1 1 A 80 80 CYS N N 80 118.257 117.915 0.342 1
1 1026 . 31 1 1 A 81 81 MET H H 81 7.600 7.838 -0.238 1
1 1027 . 31 1 1 A 81 81 MET HA H 81 3.242 4.315 -1.073 1
1 1035 . 31 1 1 A 81 81 MET C C 81 176.227 177.394 -1.167 1
1 1036 . 31 1 1 A 81 81 MET CA C 81 60.091 56.795 3.296 1
1 1037 . 31 1 1 A 81 81 MET CB C 81 34.090 31.578 2.512 1
1 1040 . 31 1 1 A 81 81 MET N N 81 114.515 118.859 -4.344 1
1 1041 . 31 1 1 A 82 82 ALA H H 82 7.299 7.403 -0.104 1
1 1042 . 31 1 1 A 82 82 ALA HA H 82 4.121 4.104 0.017 1
1 1046 . 31 1 1 A 82 82 ALA C C 82 173.827 177.447 -3.620 1
1 1047 . 31 1 1 A 82 82 ALA CA C 82 54.930 54.128 0.802 1
1 1048 . 31 1 1 A 82 82 ALA CB C 82 20.641 18.503 2.138 1
1 1049 . 31 1 1 A 82 82 ALA N N 82 118.977 121.300 -2.323 1
1 1050 . 31 1 1 A 83 83 TYR H H 83 7.623 7.310 0.313 1
1 1051 . 31 1 1 A 83 83 TYR HA H 83 4.771 4.860 -0.089 1
1 1058 . 31 1 1 A 83 83 TYR CA C 83 59.333 57.308 2.025 1
1 1059 . 31 1 1 A 83 83 TYR CB C 83 41.599 40.391 1.208 1
1 1060 . 31 1 1 A 83 83 TYR N N 83 113.311 113.339 -0.028 1
1 1061 . 31 1 1 A 84 84 ASN HA H 84 4.534 4.844 -0.310 1
1 1064 . 31 1 1 A 84 84 ASN CA C 84 56.126 53.609 2.517 1
1 1065 . 31 1 1 A 84 84 ASN CB C 84 41.990 37.360 4.630 1
1 1066 . 31 1 1 A 85 85 ASP H H 85 8.681 8.740 -0.059 1
1 1067 . 31 1 1 A 85 85 ASP HA H 85 4.086 5.059 -0.973 1
1 1070 . 31 1 1 A 85 85 ASP CA C 85 58.457 55.299 3.158 1
1 1071 . 31 1 1 A 85 85 ASP CB C 85 42.260 43.542 -1.282 1
1 1072 . 31 1 1 A 85 85 ASP N N 85 126.079 124.813 1.266 1
1 1073 . 31 1 1 A 86 86 PHE H H 86 8.672 8.013 0.659 1
1 1074 . 31 1 1 A 86 86 PHE HA H 86 3.744 4.696 -0.952 1
1 1081 . 31 1 1 A 86 86 PHE C C 86 176.827 175.663 1.164 1
1 1082 . 31 1 1 A 86 86 PHE CA C 86 62.903 56.286 6.617 1
1 1083 . 31 1 1 A 86 86 PHE CB C 86 41.596 37.630 3.966 1
1 1084 . 31 1 1 A 86 86 PHE N N 86 121.950 120.758 1.192 1
1 1085 . 31 1 1 A 87 87 PHE H H 87 7.225 8.170 -0.945 1
1 1086 . 31 1 1 A 87 87 PHE HA H 87 3.836 4.578 -0.742 1
1 1093 . 31 1 1 A 87 87 PHE C C 87 176.927 175.674 1.253 1
1 1094 . 31 1 1 A 87 87 PHE CA C 87 60.422 57.361 3.061 1
1 1095 . 31 1 1 A 87 87 PHE CB C 87 41.081 41.175 -0.094 1
1 1096 . 31 1 1 A 87 87 PHE N N 87 110.928 121.596 -10.668 1
1 1097 . 31 1 1 A 88 88 LEU H H 88 7.130 7.137 -0.007 1
1 1098 . 31 1 1 A 88 88 LEU HA H 88 4.169 3.980 0.189 1
1 1108 . 31 1 1 A 88 88 LEU C C 88 175.027 177.165 -2.138 1
1 1109 . 31 1 1 A 88 88 LEU CA C 88 56.962 54.478 2.484 1
1 1110 . 31 1 1 A 88 88 LEU CB C 88 44.199 41.774 2.425 1
1 1114 . 31 1 1 A 88 88 LEU N N 88 119.732 121.538 -1.806 1
1 1115 . 31 1 1 A 89 89 GLU H H 89 8.097 8.632 -0.535 1
1 1116 . 31 1 1 A 89 89 GLU HA H 89 4.087 4.483 -0.396 1
1 1121 . 31 1 1 A 89 89 GLU C C 89 176.427 175.981 0.446 1
1 1122 . 31 1 1 A 89 89 GLU CA C 89 58.216 56.798 1.418 1
1 1123 . 31 1 1 A 89 89 GLU CB C 89 32.309 31.216 1.093 1
1 1125 . 31 1 1 A 89 89 GLU N N 89 121.626 119.712 1.914 1
1 1126 . 31 1 1 A 90 90 ASP H H 90 8.243 7.731 0.512 1
1 1127 . 31 1 1 A 90 90 ASP HA H 90 4.425 4.901 -0.476 1
1 1130 . 31 1 1 A 90 90 ASP C C 90 176.527 175.116 1.411 1
1 1131 . 31 1 1 A 90 90 ASP CA C 90 55.815 52.596 3.219 1
1 1132 . 31 1 1 A 90 90 ASP CB C 90 42.874 43.963 -1.089 1
1 1133 . 31 1 1 A 90 90 ASP N N 90 121.280 119.308 1.972 1
1 1134 . 31 1 1 A 91 91 ASN H H 91 8.267 8.727 -0.460 1
1 1135 . 31 1 1 A 91 91 ASN HA H 91 4.563 4.595 -0.032 1
1 1140 . 31 1 1 A 91 91 ASN C C 91 178.127 175.287 2.840 1
1 1141 . 31 1 1 A 91 91 ASN CA C 91 54.928 54.282 0.646 1
1 1142 . 31 1 1 A 91 91 ASN CB C 91 40.529 38.748 1.781 1
1 1143 . 31 1 1 A 91 91 ASN N N 91 119.209 119.590 -0.381 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 86 3.484 1
2 1 1 1 "RMS(OBS, PRED)" CA 90 2.222 1
3 1 1 1 "RMS(OBS, PRED)" CB 87 1.924 1
4 1 1 1 "RMS(OBS, PRED)" H 88 0.537 1
5 1 1 1 "RMS(OBS, PRED)" HA 93 0.383 1
6 1 1 1 "RMS(OBS, PRED)" N 88 2.727 1
7 1 2 1 "RMS(OBS, PRED)" C 86 3.603 1
8 1 2 1 "RMS(OBS, PRED)" CA 90 2.305 1
9 1 2 1 "RMS(OBS, PRED)" CB 87 1.998 1
10 1 2 1 "RMS(OBS, PRED)" H 88 0.555 1
11 1 2 1 "RMS(OBS, PRED)" HA 93 0.374 1
12 1 2 1 "RMS(OBS, PRED)" N 88 2.986 1
13 1 3 1 "RMS(OBS, PRED)" C 86 3.459 1
14 1 3 1 "RMS(OBS, PRED)" CA 90 2.366 1
15 1 3 1 "RMS(OBS, PRED)" CB 87 1.870 1
16 1 3 1 "RMS(OBS, PRED)" H 88 0.509 1
17 1 3 1 "RMS(OBS, PRED)" HA 93 0.365 1
18 1 3 1 "RMS(OBS, PRED)" N 88 2.604 1
19 1 4 1 "RMS(OBS, PRED)" C 86 3.491 1
20 1 4 1 "RMS(OBS, PRED)" CA 90 2.355 1
21 1 4 1 "RMS(OBS, PRED)" CB 87 1.844 1
22 1 4 1 "RMS(OBS, PRED)" H 88 0.566 1
23 1 4 1 "RMS(OBS, PRED)" HA 93 0.380 1
24 1 4 1 "RMS(OBS, PRED)" N 88 3.011 1
25 1 5 1 "RMS(OBS, PRED)" C 86 3.483 1
26 1 5 1 "RMS(OBS, PRED)" CA 90 2.414 1
27 1 5 1 "RMS(OBS, PRED)" CB 87 2.025 1
28 1 5 1 "RMS(OBS, PRED)" H 88 0.623 1
29 1 5 1 "RMS(OBS, PRED)" HA 93 0.364 1
30 1 5 1 "RMS(OBS, PRED)" N 88 2.735 1
31 1 6 1 "RMS(OBS, PRED)" C 86 3.525 1
32 1 6 1 "RMS(OBS, PRED)" CA 90 2.345 1
33 1 6 1 "RMS(OBS, PRED)" CB 87 1.974 1
34 1 6 1 "RMS(OBS, PRED)" H 88 0.624 1
35 1 6 1 "RMS(OBS, PRED)" HA 93 0.364 1
36 1 6 1 "RMS(OBS, PRED)" N 88 2.928 1
37 1 7 1 "RMS(OBS, PRED)" C 86 3.407 1
38 1 7 1 "RMS(OBS, PRED)" CA 90 2.238 1
39 1 7 1 "RMS(OBS, PRED)" CB 87 1.905 1
40 1 7 1 "RMS(OBS, PRED)" H 88 0.559 1
41 1 7 1 "RMS(OBS, PRED)" HA 93 0.366 1
42 1 7 1 "RMS(OBS, PRED)" N 88 3.033 1
43 1 8 1 "RMS(OBS, PRED)" C 86 3.473 1
44 1 8 1 "RMS(OBS, PRED)" CA 90 2.360 1
45 1 8 1 "RMS(OBS, PRED)" CB 87 1.892 1
46 1 8 1 "RMS(OBS, PRED)" H 88 0.551 1
47 1 8 1 "RMS(OBS, PRED)" HA 93 0.377 1
48 1 8 1 "RMS(OBS, PRED)" N 88 2.992 1
49 1 9 1 "RMS(OBS, PRED)" C 86 3.494 1
50 1 9 1 "RMS(OBS, PRED)" CA 90 2.548 1
51 1 9 1 "RMS(OBS, PRED)" CB 87 1.897 1
52 1 9 1 "RMS(OBS, PRED)" H 88 0.569 1
53 1 9 1 "RMS(OBS, PRED)" HA 93 0.387 1
54 1 9 1 "RMS(OBS, PRED)" N 88 2.984 1
55 1 10 1 "RMS(OBS, PRED)" C 86 3.443 1
56 1 10 1 "RMS(OBS, PRED)" CA 90 2.390 1
57 1 10 1 "RMS(OBS, PRED)" CB 87 2.159 1
58 1 10 1 "RMS(OBS, PRED)" H 88 0.605 1
59 1 10 1 "RMS(OBS, PRED)" HA 93 0.367 1
60 1 10 1 "RMS(OBS, PRED)" N 88 2.700 1
61 1 11 1 "RMS(OBS, PRED)" C 86 3.469 1
62 1 11 1 "RMS(OBS, PRED)" CA 90 2.302 1
63 1 11 1 "RMS(OBS, PRED)" CB 87 2.034 1
64 1 11 1 "RMS(OBS, PRED)" H 88 0.553 1
65 1 11 1 "RMS(OBS, PRED)" HA 93 0.376 1
66 1 11 1 "RMS(OBS, PRED)" N 88 2.840 1
67 1 12 1 "RMS(OBS, PRED)" C 86 3.527 1
68 1 12 1 "RMS(OBS, PRED)" CA 90 2.432 1
69 1 12 1 "RMS(OBS, PRED)" CB 87 2.049 1
70 1 12 1 "RMS(OBS, PRED)" H 88 0.632 1
71 1 12 1 "RMS(OBS, PRED)" HA 93 0.385 1
72 1 12 1 "RMS(OBS, PRED)" N 88 2.967 1
73 1 13 1 "RMS(OBS, PRED)" C 86 3.459 1
74 1 13 1 "RMS(OBS, PRED)" CA 90 2.372 1
75 1 13 1 "RMS(OBS, PRED)" CB 87 2.037 1
76 1 13 1 "RMS(OBS, PRED)" H 88 0.538 1
77 1 13 1 "RMS(OBS, PRED)" HA 93 0.373 1
78 1 13 1 "RMS(OBS, PRED)" N 88 3.070 1
79 1 14 1 "RMS(OBS, PRED)" C 86 3.445 1
80 1 14 1 "RMS(OBS, PRED)" CA 90 2.471 1
81 1 14 1 "RMS(OBS, PRED)" CB 87 2.026 1
82 1 14 1 "RMS(OBS, PRED)" H 88 0.591 1
83 1 14 1 "RMS(OBS, PRED)" HA 93 0.403 1
84 1 14 1 "RMS(OBS, PRED)" N 88 2.985 1
85 1 15 1 "RMS(OBS, PRED)" C 86 3.497 1
86 1 15 1 "RMS(OBS, PRED)" CA 90 2.362 1
87 1 15 1 "RMS(OBS, PRED)" CB 87 1.880 1
88 1 15 1 "RMS(OBS, PRED)" H 88 0.554 1
89 1 15 1 "RMS(OBS, PRED)" HA 93 0.376 1
90 1 15 1 "RMS(OBS, PRED)" N 88 2.759 1
91 1 16 1 "RMS(OBS, PRED)" C 86 3.473 1
92 1 16 1 "RMS(OBS, PRED)" CA 90 2.412 1
93 1 16 1 "RMS(OBS, PRED)" CB 87 1.836 1
94 1 16 1 "RMS(OBS, PRED)" H 88 0.552 1
95 1 16 1 "RMS(OBS, PRED)" HA 93 0.377 1
96 1 16 1 "RMS(OBS, PRED)" N 88 2.690 1
97 1 17 1 "RMS(OBS, PRED)" C 86 3.484 1
98 1 17 1 "RMS(OBS, PRED)" CA 90 2.493 1
99 1 17 1 "RMS(OBS, PRED)" CB 87 2.015 1
100 1 17 1 "RMS(OBS, PRED)" H 88 0.534 1
101 1 17 1 "RMS(OBS, PRED)" HA 93 0.376 1
102 1 17 1 "RMS(OBS, PRED)" N 88 2.951 1
103 1 18 1 "RMS(OBS, PRED)" C 86 3.473 1
104 1 18 1 "RMS(OBS, PRED)" CA 90 2.420 1
105 1 18 1 "RMS(OBS, PRED)" CB 87 1.870 1
106 1 18 1 "RMS(OBS, PRED)" H 88 0.548 1
107 1 18 1 "RMS(OBS, PRED)" HA 93 0.356 1
108 1 18 1 "RMS(OBS, PRED)" N 88 2.774 1
109 1 19 1 "RMS(OBS, PRED)" C 86 3.436 1
110 1 19 1 "RMS(OBS, PRED)" CA 90 2.359 1
111 1 19 1 "RMS(OBS, PRED)" CB 87 1.813 1
112 1 19 1 "RMS(OBS, PRED)" H 88 0.550 1
113 1 19 1 "RMS(OBS, PRED)" HA 93 0.357 1
114 1 19 1 "RMS(OBS, PRED)" N 88 2.664 1
115 1 20 1 "RMS(OBS, PRED)" C 86 3.510 1
116 1 20 1 "RMS(OBS, PRED)" CA 90 2.384 1
117 1 20 1 "RMS(OBS, PRED)" CB 87 1.940 1
118 1 20 1 "RMS(OBS, PRED)" H 88 0.659 1
119 1 20 1 "RMS(OBS, PRED)" HA 93 0.422 1
120 1 20 1 "RMS(OBS, PRED)" N 88 2.759 1
121 1 21 1 "RMS(OBS, PRED)" C 86 3.431 1
122 1 21 1 "RMS(OBS, PRED)" CA 90 2.410 1
123 1 21 1 "RMS(OBS, PRED)" CB 87 1.909 1
124 1 21 1 "RMS(OBS, PRED)" H 88 0.511 1
125 1 21 1 "RMS(OBS, PRED)" HA 93 0.389 1
126 1 21 1 "RMS(OBS, PRED)" N 88 2.567 1
127 1 22 1 "RMS(OBS, PRED)" C 86 3.459 1
128 1 22 1 "RMS(OBS, PRED)" CA 90 2.411 1
129 1 22 1 "RMS(OBS, PRED)" CB 87 1.950 1
130 1 22 1 "RMS(OBS, PRED)" H 88 0.538 1
131 1 22 1 "RMS(OBS, PRED)" HA 93 0.358 1
132 1 22 1 "RMS(OBS, PRED)" N 88 2.742 1
133 1 23 1 "RMS(OBS, PRED)" C 86 3.452 1
134 1 23 1 "RMS(OBS, PRED)" CA 90 2.474 1
135 1 23 1 "RMS(OBS, PRED)" CB 87 1.828 1
136 1 23 1 "RMS(OBS, PRED)" H 88 0.551 1
137 1 23 1 "RMS(OBS, PRED)" HA 93 0.395 1
138 1 23 1 "RMS(OBS, PRED)" N 88 2.939 1
139 1 24 1 "RMS(OBS, PRED)" C 86 3.542 1
140 1 24 1 "RMS(OBS, PRED)" CA 90 2.320 1
141 1 24 1 "RMS(OBS, PRED)" CB 87 1.944 1
142 1 24 1 "RMS(OBS, PRED)" H 88 0.584 1
143 1 24 1 "RMS(OBS, PRED)" HA 93 0.378 1
144 1 24 1 "RMS(OBS, PRED)" N 88 2.843 1
145 1 25 1 "RMS(OBS, PRED)" C 86 3.497 1
146 1 25 1 "RMS(OBS, PRED)" CA 90 2.456 1
147 1 25 1 "RMS(OBS, PRED)" CB 87 1.875 1
148 1 25 1 "RMS(OBS, PRED)" H 88 0.517 1
149 1 25 1 "RMS(OBS, PRED)" HA 93 0.404 1
150 1 25 1 "RMS(OBS, PRED)" N 88 2.865 1
151 1 26 1 "RMS(OBS, PRED)" C 86 3.421 1
152 1 26 1 "RMS(OBS, PRED)" CA 90 2.372 1
153 1 26 1 "RMS(OBS, PRED)" CB 87 2.074 1
154 1 26 1 "RMS(OBS, PRED)" H 88 0.543 1
155 1 26 1 "RMS(OBS, PRED)" HA 93 0.355 1
156 1 26 1 "RMS(OBS, PRED)" N 88 2.665 1
157 1 27 1 "RMS(OBS, PRED)" C 86 3.400 1
158 1 27 1 "RMS(OBS, PRED)" CA 90 2.393 1
159 1 27 1 "RMS(OBS, PRED)" CB 87 1.865 1
160 1 27 1 "RMS(OBS, PRED)" H 88 0.498 1
161 1 27 1 "RMS(OBS, PRED)" HA 93 0.395 1
162 1 27 1 "RMS(OBS, PRED)" N 88 2.557 1
163 1 28 1 "RMS(OBS, PRED)" C 86 3.521 1
164 1 28 1 "RMS(OBS, PRED)" CA 90 2.334 1
165 1 28 1 "RMS(OBS, PRED)" CB 87 1.869 1
166 1 28 1 "RMS(OBS, PRED)" H 88 0.534 1
167 1 28 1 "RMS(OBS, PRED)" HA 93 0.387 1
168 1 28 1 "RMS(OBS, PRED)" N 88 2.915 1
169 1 29 1 "RMS(OBS, PRED)" C 86 3.489 1
170 1 29 1 "RMS(OBS, PRED)" CA 90 2.448 1
171 1 29 1 "RMS(OBS, PRED)" CB 87 1.863 1
172 1 29 1 "RMS(OBS, PRED)" H 88 0.529 1
173 1 29 1 "RMS(OBS, PRED)" HA 93 0.408 1
174 1 29 1 "RMS(OBS, PRED)" N 88 2.882 1
175 1 30 1 "RMS(OBS, PRED)" C 86 3.495 1
176 1 30 1 "RMS(OBS, PRED)" CA 90 2.459 1
177 1 30 1 "RMS(OBS, PRED)" CB 87 1.888 1
178 1 30 1 "RMS(OBS, PRED)" H 88 0.566 1
179 1 30 1 "RMS(OBS, PRED)" HA 93 0.377 1
180 1 30 1 "RMS(OBS, PRED)" N 88 2.985 1
181 1 31 1 "RMS(OBS, PRED)" C 86 3.470 1
182 1 31 1 "RMS(OBS, PRED)" CA 90 2.340 1
183 1 31 1 "RMS(OBS, PRED)" CB 87 1.994 1
184 1 31 1 "RMS(OBS, PRED)" H 88 0.556 1
185 1 31 1 "RMS(OBS, PRED)" HA 93 0.362 1
186 1 31 1 "RMS(OBS, PRED)" N 88 2.875 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 14 . 1 1 A 2 2 GLU H H 2 8.722 8.558 0.164 2
1 15 . 1 1 A 2 2 GLU HA H 2 4.557 4.488 0.069 2
1 20 . 1 1 A 2 2 GLU C C 2 175.827 175.784 0.043 2
1 21 . 1 1 A 2 2 GLU CA C 2 58.063 56.928 1.135 2
1 22 . 1 1 A 2 2 GLU CB C 2 33.147 30.276 2.871 2
1 24 . 1 1 A 2 2 GLU N N 2 124.627 120.434 4.193 2
1 25 . 1 1 A 3 3 THR H H 3 8.670 7.950 0.720 2
1 26 . 1 1 A 3 3 THR HA H 3 4.616 4.791 -0.175 2
1 31 . 1 1 A 3 3 THR CA C 3 61.734 59.472 2.262 2
1 32 . 1 1 A 3 3 THR CB C 3 70.590 70.011 0.579 2
1 34 . 1 1 A 3 3 THR N N 3 116.274 112.937 3.337 2
1 35 . 1 1 A 4 4 PRO HA H 4 4.161 4.389 -0.228 2
1 42 . 1 1 A 4 4 PRO C C 4 172.227 177.902 -5.675 2
1 43 . 1 1 A 4 4 PRO CA C 4 68.211 65.296 2.915 2
1 44 . 1 1 A 4 4 PRO CB C 4 33.796 31.900 1.896 2
1 47 . 1 1 A 5 5 LEU H H 5 9.207 7.681 1.526 2
1 48 . 1 1 A 5 5 LEU HA H 5 4.038 4.049 -0.011 2
1 58 . 1 1 A 5 5 LEU C C 5 174.327 178.294 -3.967 2
1 59 . 1 1 A 5 5 LEU CA C 5 59.483 57.371 2.112 2
1 60 . 1 1 A 5 5 LEU CB C 5 43.877 41.681 2.196 2
1 64 . 1 1 A 5 5 LEU N N 5 119.157 117.895 1.262 2
1 65 . 1 1 A 6 6 GLU H H 6 7.661 8.216 -0.555 2
1 66 . 1 1 A 6 6 GLU HA H 6 3.755 3.966 -0.211 2
1 71 . 1 1 A 6 6 GLU C C 6 172.727 178.843 -6.116 2
1 72 . 1 1 A 6 6 GLU CA C 6 61.953 59.580 2.373 2
1 73 . 1 1 A 6 6 GLU CB C 6 31.354 29.200 2.154 2
1 75 . 1 1 A 6 6 GLU N N 6 119.837 118.756 1.081 2
1 76 . 1 1 A 7 7 LYS H H 7 8.430 7.862 0.568 2
1 77 . 1 1 A 7 7 LYS HA H 7 3.921 4.146 -0.225 2
1 86 . 1 1 A 7 7 LYS C C 7 172.927 179.000 -6.073 2
1 87 . 1 1 A 7 7 LYS CA C 7 61.312 58.774 2.538 2
1 88 . 1 1 A 7 7 LYS CB C 7 33.861 32.080 1.781 2
1 92 . 1 1 A 7 7 LYS N N 7 119.023 119.135 -0.112 2
1 93 . 1 1 A 8 8 ALA H H 8 8.079 7.963 0.116 2
1 94 . 1 1 A 8 8 ALA HA H 8 4.085 4.084 0.001 2
1 98 . 1 1 A 8 8 ALA C C 8 173.027 180.068 -7.041 2
1 99 . 1 1 A 8 8 ALA CA C 8 56.967 55.027 1.940 2
1 100 . 1 1 A 8 8 ALA CB C 8 20.140 18.546 1.594 2
1 101 . 1 1 A 8 8 ALA N N 8 123.824 122.503 1.321 2
1 102 . 1 1 A 9 9 LEU H H 9 8.032 8.056 -0.024 2
1 103 . 1 1 A 9 9 LEU HA H 9 4.061 4.009 0.052 2
1 113 . 1 1 A 9 9 LEU C C 9 172.527 179.270 -6.743 2
1 114 . 1 1 A 9 9 LEU CA C 9 60.071 58.027 2.044 2
1 115 . 1 1 A 9 9 LEU CB C 9 42.714 41.885 0.829 2
1 119 . 1 1 A 9 9 LEU N N 9 118.643 118.189 0.454 2
1 120 . 1 1 A 10 10 THR H H 10 8.686 8.223 0.463 2
1 121 . 1 1 A 10 10 THR HA H 10 3.798 3.941 -0.143 2
1 126 . 1 1 A 10 10 THR C C 10 175.127 176.740 -1.613 2
1 127 . 1 1 A 10 10 THR CA C 10 69.282 66.540 2.742 2
1 128 . 1 1 A 10 10 THR CB C 10 70.132 68.507 1.625 2
1 130 . 1 1 A 10 10 THR N N 10 117.087 115.206 1.881 2
1 131 . 1 1 A 11 11 THR H H 11 8.628 8.134 0.494 2
1 132 . 1 1 A 11 11 THR HA H 11 3.961 3.968 -0.007 2
1 137 . 1 1 A 11 11 THR C C 11 174.427 176.744 -2.317 2
1 138 . 1 1 A 11 11 THR CA C 11 68.408 66.677 1.731 2
1 139 . 1 1 A 11 11 THR CB C 11 69.107 68.321 0.786 2
1 141 . 1 1 A 11 11 THR N N 11 120.770 116.570 4.200 2
1 142 . 1 1 A 12 12 MET H H 12 8.390 8.375 0.015 2
1 143 . 1 1 A 12 12 MET HA H 12 3.956 4.393 -0.437 2
1 151 . 1 1 A 12 12 MET C C 12 175.127 178.446 -3.319 2
1 152 . 1 1 A 12 12 MET CA C 12 62.750 58.093 4.657 2
1 153 . 1 1 A 12 12 MET CB C 12 34.952 32.682 2.270 2
1 156 . 1 1 A 12 12 MET N N 12 124.388 119.119 5.269 2
1 157 . 1 1 A 13 13 VAL H H 13 8.104 8.494 -0.390 2
1 158 . 1 1 A 13 13 VAL HA H 13 3.576 3.995 -0.419 2
1 166 . 1 1 A 13 13 VAL C C 13 175.327 178.212 -2.885 2
1 167 . 1 1 A 13 13 VAL CA C 13 68.958 65.807 3.151 2
1 168 . 1 1 A 13 13 VAL CB C 13 33.703 31.472 2.231 2
1 171 . 1 1 A 13 13 VAL N N 13 121.753 116.685 5.068 2
1 172 . 1 1 A 14 14 THR H H 14 9.186 8.303 0.883 2
1 173 . 1 1 A 14 14 THR HA H 14 3.774 4.037 -0.263 2
1 178 . 1 1 A 14 14 THR C C 14 173.927 176.896 -2.969 2
1 179 . 1 1 A 14 14 THR CA C 14 67.955 66.070 1.885 2
1 180 . 1 1 A 14 14 THR CB C 14 70.504 68.607 1.897 2
1 182 . 1 1 A 14 14 THR N N 14 114.911 116.446 -1.535 2
1 183 . 1 1 A 15 15 THR H H 15 8.453 8.241 0.212 2
1 184 . 1 1 A 15 15 THR HA H 15 3.859 4.179 -0.320 2
1 190 . 1 1 A 15 15 THR C C 15 178.127 176.663 1.464 2
1 191 . 1 1 A 15 15 THR CA C 15 69.609 66.066 3.543 2
1 192 . 1 1 A 15 15 THR CB C 15 70.511 68.415 2.096 2
1 194 . 1 1 A 15 15 THR N N 15 118.791 113.780 5.011 2
1 195 . 1 1 A 16 16 PHE H H 16 7.207 8.411 -1.204 2
1 196 . 1 1 A 16 16 PHE HA H 16 3.572 4.063 -0.491 2
1 203 . 1 1 A 16 16 PHE C C 16 178.527 177.538 0.989 2
1 204 . 1 1 A 16 16 PHE CA C 16 64.090 61.553 2.537 2
1 205 . 1 1 A 16 16 PHE CB C 16 41.091 38.898 2.193 2
1 206 . 1 1 A 16 16 PHE N N 16 121.331 123.477 -2.146 2
1 207 . 1 1 A 17 17 HIS H H 17 8.393 8.440 -0.047 2
1 208 . 1 1 A 17 17 HIS HA H 17 5.329 4.325 1.004 2
1 211 . 1 1 A 17 17 HIS C C 17 174.627 177.211 -2.584 2
1 212 . 1 1 A 17 17 HIS CA C 17 56.667 59.786 -3.119 2
1 213 . 1 1 A 17 17 HIS CB C 17 32.397 29.898 2.499 2
1 214 . 1 1 A 17 17 HIS N N 17 117.858 118.742 -0.884 2
1 215 . 1 1 A 18 18 LYS H H 18 7.767 8.005 -0.238 2
1 216 . 1 1 A 18 18 LYS HA H 18 3.553 3.900 -0.347 2
1 225 . 1 1 A 18 18 LYS C C 18 175.527 177.051 -1.524 2
1 226 . 1 1 A 18 18 LYS CA C 18 61.301 58.737 2.564 2
1 227 . 1 1 A 18 18 LYS CB C 18 33.523 32.105 1.418 2
1 231 . 1 1 A 18 18 LYS N N 18 120.691 118.663 2.028 2
1 232 . 1 1 A 19 19 TYR H H 19 7.079 7.713 -0.634 2
1 233 . 1 1 A 19 19 TYR HA H 19 3.993 4.571 -0.578 2
1 240 . 1 1 A 19 19 TYR C C 19 174.227 176.650 -2.423 2
1 241 . 1 1 A 19 19 TYR CA C 19 61.287 58.536 2.751 2
1 242 . 1 1 A 19 19 TYR CB C 19 42.066 39.642 2.424 2
1 243 . 1 1 A 19 19 TYR N N 19 114.592 116.955 -2.363 2
1 244 . 1 1 A 20 20 SER H H 20 9.708 8.039 1.669 2
1 245 . 1 1 A 20 20 SER HA H 20 4.117 4.226 -0.109 2
1 248 . 1 1 A 20 20 SER C C 20 175.227 176.086 -0.859 2
1 249 . 1 1 A 20 20 SER CA C 20 60.135 60.536 -0.401 2
1 250 . 1 1 A 20 20 SER CB C 20 63.159 62.978 0.181 2
1 251 . 1 1 A 20 20 SER N N 20 121.764 114.789 6.975 2
1 252 . 1 1 A 21 21 GLY H H 21 8.146 8.106 0.040 2
1 253 . 1 1 A 21 21 GLY HA2 H 21 3.956 3.839 0.117 2
1 254 . 1 1 A 21 21 GLY HA3 H 21 3.571 4.041 -0.470 2
1 255 . 1 1 A 21 21 GLY C C 21 177.927 174.934 2.993 2
1 256 . 1 1 A 21 21 GLY CA C 21 46.646 45.801 0.845 2
1 257 . 1 1 A 21 21 GLY N N 21 106.982 109.202 -2.220 2
1 258 . 1 1 A 22 22 ARG H H 22 7.007 8.004 -0.997 2
1 259 . 1 1 A 22 22 ARG HA H 22 3.815 4.206 -0.391 2
1 266 . 1 1 A 22 22 ARG C C 22 175.927 176.441 -0.514 2
1 267 . 1 1 A 22 22 ARG CA C 22 60.766 57.625 3.141 2
1 268 . 1 1 A 22 22 ARG CB C 22 32.302 30.702 1.600 2
1 271 . 1 1 A 22 22 ARG N N 22 118.055 119.193 -1.138 2
1 272 . 1 1 A 23 23 GLU H H 23 7.551 7.871 -0.320 2
1 273 . 1 1 A 23 23 GLU HA H 23 4.436 4.544 -0.108 2
1 278 . 1 1 A 23 23 GLU C C 23 177.727 176.653 1.074 2
1 279 . 1 1 A 23 23 GLU CA C 23 56.853 55.998 0.855 2
1 280 . 1 1 A 23 23 GLU CB C 23 33.988 31.994 1.994 2
1 282 . 1 1 A 23 23 GLU N N 23 114.631 117.301 -2.670 2
1 283 . 1 1 A 24 24 GLY H H 24 8.376 8.119 0.257 2
1 284 . 1 1 A 24 24 GLY HA2 H 24 3.771 3.943 -0.172 2
1 285 . 1 1 A 24 24 GLY HA3 H 24 3.567 4.066 -0.499 2
1 286 . 1 1 A 24 24 GLY C C 24 177.127 173.612 3.515 2
1 287 . 1 1 A 24 24 GLY CA C 24 47.718 45.607 2.111 2
1 288 . 1 1 A 24 24 GLY N N 24 107.626 108.808 -1.182 2
1 289 . 1 1 A 25 25 SER H H 25 8.443 8.014 0.429 2
1 290 . 1 1 A 25 25 SER HA H 25 4.314 4.556 -0.242 2
1 293 . 1 1 A 25 25 SER C C 25 175.527 173.940 1.587 2
1 294 . 1 1 A 25 25 SER CA C 25 59.146 57.883 1.263 2
1 295 . 1 1 A 25 25 SER CB C 25 65.573 63.725 1.848 2
1 296 . 1 1 A 25 25 SER N N 25 119.000 115.027 3.973 2
1 297 . 1 1 A 26 26 LYS H H 26 8.821 8.562 0.259 2
1 298 . 1 1 A 26 26 LYS HA H 26 4.307 4.245 0.062 2
1 307 . 1 1 A 26 26 LYS C C 26 176.027 177.129 -1.102 2
1 308 . 1 1 A 26 26 LYS CA C 26 59.180 57.480 1.700 2
1 309 . 1 1 A 26 26 LYS CB C 26 33.211 32.331 0.880 2
1 313 . 1 1 A 26 26 LYS N N 26 126.125 123.654 2.471 2
1 314 . 1 1 A 27 27 LEU H H 27 8.237 7.718 0.519 2
1 315 . 1 1 A 27 27 LEU HA H 27 4.534 4.655 -0.121 2
1 325 . 1 1 A 27 27 LEU C C 27 175.627 176.295 -0.668 2
1 326 . 1 1 A 27 27 LEU CA C 27 56.384 54.893 1.491 2
1 327 . 1 1 A 27 27 LEU CB C 27 44.218 43.523 0.695 2
1 331 . 1 1 A 27 27 LEU N N 27 117.484 116.500 0.984 2
1 332 . 1 1 A 28 28 THR H H 28 7.386 7.767 -0.381 2
1 333 . 1 1 A 28 28 THR HA H 28 5.517 5.522 -0.005 2
1 338 . 1 1 A 28 28 THR C C 28 180.227 172.736 7.491 2
1 339 . 1 1 A 28 28 THR CA C 28 61.014 60.222 0.792 2
1 340 . 1 1 A 28 28 THR CB C 28 75.348 72.452 2.896 2
1 342 . 1 1 A 28 28 THR N N 28 106.230 109.668 -3.438 2
1 343 . 1 1 A 29 29 LEU H H 29 8.721 8.625 0.096 2
1 344 . 1 1 A 29 29 LEU HA H 29 4.713 4.808 -0.095 2
1 354 . 1 1 A 29 29 LEU C C 29 176.927 175.391 1.536 2
1 355 . 1 1 A 29 29 LEU CA C 29 55.163 53.742 1.421 2
1 356 . 1 1 A 29 29 LEU CB C 29 46.059 44.564 1.495 2
1 360 . 1 1 A 29 29 LEU N N 29 116.728 118.156 -1.428 2
1 361 . 1 1 A 30 30 SER H H 30 8.866 8.701 0.165 2
1 362 . 1 1 A 30 30 SER HA H 30 4.942 4.856 0.086 2
1 365 . 1 1 A 30 30 SER C C 30 176.327 175.744 0.583 2
1 366 . 1 1 A 30 30 SER CA C 30 59.032 57.467 1.565 2
1 367 . 1 1 A 30 30 SER CB C 30 67.150 64.809 2.341 2
1 368 . 1 1 A 30 30 SER N N 30 117.110 115.496 1.614 2
1 369 . 1 1 A 31 31 ARG H H 31 8.393 8.813 -0.420 2
1 370 . 1 1 A 31 31 ARG HA H 31 3.695 3.920 -0.225 2
1 377 . 1 1 A 31 31 ARG C C 31 174.127 178.180 -4.053 2
1 378 . 1 1 A 31 31 ARG CA C 31 62.776 59.634 3.142 2
1 379 . 1 1 A 31 31 ARG CB C 31 31.601 29.861 1.740 2
1 382 . 1 1 A 31 31 ARG N N 31 121.109 122.534 -1.425 2
1 383 . 1 1 A 32 32 LYS H H 32 8.264 7.954 0.310 2
1 384 . 1 1 A 32 32 LYS HA H 32 3.912 4.004 -0.092 2
1 393 . 1 1 A 32 32 LYS C C 32 172.827 178.901 -6.074 2
1 394 . 1 1 A 32 32 LYS CA C 32 61.591 59.521 2.070 2
1 395 . 1 1 A 32 32 LYS CB C 32 34.116 32.192 1.924 2
1 399 . 1 1 A 32 32 LYS N N 32 118.536 119.413 -0.877 2
1 400 . 1 1 A 33 33 GLU H H 33 7.790 7.832 -0.042 2
1 401 . 1 1 A 33 33 GLU HA H 33 4.049 4.053 -0.004 2
1 406 . 1 1 A 33 33 GLU C C 33 174.327 178.646 -4.319 2
1 407 . 1 1 A 33 33 GLU CA C 33 60.634 58.966 1.668 2
1 408 . 1 1 A 33 33 GLU CB C 33 31.617 29.370 2.247 2
1 410 . 1 1 A 33 33 GLU N N 33 121.557 119.384 2.173 2
1 411 . 1 1 A 34 34 LEU H H 34 8.388 8.016 0.372 2
1 412 . 1 1 A 34 34 LEU HA H 34 3.844 3.821 0.023 2
1 422 . 1 1 A 34 34 LEU C C 34 174.927 178.282 -3.355 2
1 423 . 1 1 A 34 34 LEU CA C 34 59.173 57.753 1.420 2
1 424 . 1 1 A 34 34 LEU CB C 34 42.053 41.548 0.505 2
1 428 . 1 1 A 34 34 LEU N N 34 120.999 121.442 -0.443 2
1 429 . 1 1 A 35 35 LYS H H 35 7.817 7.853 -0.036 2
1 430 . 1 1 A 35 35 LYS HA H 35 3.478 3.793 -0.315 2
1 439 . 1 1 A 35 35 LYS C C 35 174.627 178.377 -3.750 2
1 440 . 1 1 A 35 35 LYS CA C 35 62.312 59.341 2.971 2
1 441 . 1 1 A 35 35 LYS CB C 35 33.814 32.060 1.754 2
1 445 . 1 1 A 35 35 LYS N N 35 118.738 118.502 0.236 2
1 446 . 1 1 A 36 36 GLU H H 36 7.208 7.657 -0.449 2
1 447 . 1 1 A 36 36 GLU HA H 36 3.801 4.082 -0.281 2
1 452 . 1 1 A 36 36 GLU C C 36 175.227 178.419 -3.192 2
1 453 . 1 1 A 36 36 GLU CA C 36 61.015 58.797 2.218 2
1 454 . 1 1 A 36 36 GLU CB C 36 30.770 29.428 1.342 2
1 456 . 1 1 A 36 36 GLU N N 36 118.771 119.007 -0.236 2
1 457 . 1 1 A 37 37 LEU H H 37 8.038 7.977 0.061 2
1 458 . 1 1 A 37 37 LEU HA H 37 3.178 3.357 -0.179 2
1 468 . 1 1 A 37 37 LEU C C 37 172.927 178.248 -5.321 2
1 469 . 1 1 A 37 37 LEU CA C 37 60.915 57.923 2.992 2
1 470 . 1 1 A 37 37 LEU CB C 37 43.352 41.170 2.182 2
1 474 . 1 1 A 37 37 LEU N N 37 121.767 120.484 1.283 2
1 475 . 1 1 A 38 38 ILE H H 38 8.224 7.830 0.394 2
1 476 . 1 1 A 38 38 ILE HA H 38 3.234 3.756 -0.522 2
1 486 . 1 1 A 38 38 ILE C C 38 174.727 177.629 -2.902 2
1 487 . 1 1 A 38 38 ILE CA C 38 66.464 64.485 1.979 2
1 488 . 1 1 A 38 38 ILE CB C 38 38.799 37.691 1.108 2
1 492 . 1 1 A 38 38 ILE N N 38 119.417 119.760 -0.343 2
1 493 . 1 1 A 39 39 LYS H H 39 7.700 7.734 -0.034 2
1 494 . 1 1 A 39 39 LYS HA H 39 3.894 4.346 -0.452 2
1 503 . 1 1 A 39 39 LYS C C 39 173.727 177.658 -3.931 2
1 504 . 1 1 A 39 39 LYS CA C 39 61.015 57.331 3.684 2
1 505 . 1 1 A 39 39 LYS CB C 39 34.100 32.557 1.543 2
1 509 . 1 1 A 39 39 LYS N N 39 117.277 119.880 -2.603 2
1 510 . 1 1 A 40 40 LYS H H 40 8.170 7.820 0.350 2
1 511 . 1 1 A 40 40 LYS HA H 40 4.226 4.293 -0.067 2
1 520 . 1 1 A 40 40 LYS C C 40 173.427 178.447 -5.020 2
1 521 . 1 1 A 40 40 LYS CA C 40 59.251 58.210 1.041 2
1 522 . 1 1 A 40 40 LYS CB C 40 35.528 33.477 2.051 2
1 526 . 1 1 A 40 40 LYS N N 40 115.146 118.521 -3.375 2
1 527 . 1 1 A 41 41 GLU H H 41 8.778 8.211 0.567 2
1 528 . 1 1 A 41 41 GLU HA H 41 4.629 4.378 0.251 2
1 533 . 1 1 A 41 41 GLU C C 41 175.527 176.225 -0.698 2
1 534 . 1 1 A 41 41 GLU CA C 41 57.177 57.705 -0.528 2
1 535 . 1 1 A 41 41 GLU CB C 41 31.656 30.321 1.335 2
1 537 . 1 1 A 41 41 GLU N N 41 113.604 117.019 -3.415 2
1 538 . 1 1 A 42 42 LEU H H 42 7.610 7.524 0.086 2
1 539 . 1 1 A 42 42 LEU HA H 42 4.475 4.709 -0.234 2
1 549 . 1 1 A 42 42 LEU C C 42 177.227 175.939 1.288 2
1 550 . 1 1 A 42 42 LEU CA C 42 56.047 53.922 2.125 2
1 551 . 1 1 A 42 42 LEU CB C 42 45.748 44.221 1.527 2
1 555 . 1 1 A 42 42 LEU N N 42 118.997 120.396 -1.399 2
1 556 . 1 1 A 43 43 CYS H H 43 8.501 8.711 -0.210 2
1 557 . 1 1 A 43 43 CYS HA H 43 4.397 4.646 -0.249 2
1 560 . 1 1 A 43 43 CYS C C 43 177.327 174.465 2.862 2
1 561 . 1 1 A 43 43 CYS CA C 43 60.023 59.479 0.544 2
1 562 . 1 1 A 43 43 CYS CB C 43 27.915 28.524 -0.609 2
1 563 . 1 1 A 43 43 CYS N N 43 119.622 122.796 -3.174 2
1 564 . 1 1 A 44 44 LEU H H 44 8.200 8.321 -0.121 2
1 565 . 1 1 A 44 44 LEU HA H 44 3.979 4.317 -0.338 2
1 575 . 1 1 A 44 44 LEU C C 44 173.927 177.275 -3.348 2
1 576 . 1 1 A 44 44 LEU CA C 44 57.244 55.701 1.543 2
1 577 . 1 1 A 44 44 LEU CB C 44 43.622 42.328 1.294 2
1 581 . 1 1 A 44 44 LEU N N 44 121.955 123.971 -2.016 2
1 582 . 1 1 A 45 45 GLY H H 45 8.244 8.196 0.048 2
1 583 . 1 1 A 45 45 GLY HA2 H 45 3.849 3.938 -0.089 2
1 584 . 1 1 A 45 45 GLY HA3 H 45 3.789 4.057 -0.268 2
1 585 . 1 1 A 45 45 GLY C C 45 178.027 174.632 3.395 2
1 586 . 1 1 A 45 45 GLY CA C 45 47.023 45.938 1.085 2
1 587 . 1 1 A 45 45 GLY N N 45 107.702 108.551 -0.849 2
1 588 . 1 1 A 46 46 GLU H H 46 8.286 8.189 0.097 2
1 589 . 1 1 A 46 46 GLU HA H 46 4.039 4.456 -0.417 2
1 594 . 1 1 A 46 46 GLU C C 46 175.127 176.456 -1.329 2
1 595 . 1 1 A 46 46 GLU CA C 46 59.176 56.390 2.786 2
1 596 . 1 1 A 46 46 GLU CB C 46 31.361 30.416 0.945 2
1 598 . 1 1 A 46 46 GLU N N 46 119.602 118.459 1.143 2
1 599 . 1 1 A 47 47 MET H H 47 8.048 7.997 0.051 2
1 600 . 1 1 A 47 47 MET HA H 47 4.229 4.474 -0.245 2
1 608 . 1 1 A 47 47 MET C C 47 175.727 175.578 0.149 2
1 609 . 1 1 A 47 47 MET CA C 47 58.183 56.177 2.006 2
1 610 . 1 1 A 47 47 MET CB C 47 34.087 33.553 0.534 2
1 613 . 1 1 A 47 47 MET N N 47 119.617 118.739 0.878 2
1 614 . 1 1 A 48 48 LYS H H 48 8.221 7.960 0.261 2
1 615 . 1 1 A 48 48 LYS HA H 48 4.217 4.491 -0.274 2
1 624 . 1 1 A 48 48 LYS C C 48 174.927 176.039 -1.112 2
1 625 . 1 1 A 48 48 LYS CA C 48 58.304 55.760 2.544 2
1 626 . 1 1 A 48 48 LYS CB C 48 34.548 33.801 0.747 2
1 630 . 1 1 A 48 48 LYS N N 48 120.987 118.749 2.238 2
1 631 . 1 1 A 49 49 GLU H H 49 8.346 8.641 -0.295 2
1 632 . 1 1 A 49 49 GLU HA H 49 3.922 4.469 -0.547 2
1 637 . 1 1 A 49 49 GLU C C 49 174.427 176.583 -2.156 2
1 638 . 1 1 A 49 49 GLU CA C 49 60.298 56.963 3.335 2
1 639 . 1 1 A 49 49 GLU CB C 49 31.065 30.563 0.502 2
1 641 . 1 1 A 49 49 GLU N N 49 121.867 122.116 -0.249 2
1 642 . 1 1 A 50 50 SER H H 50 8.348 8.439 -0.091 2
1 643 . 1 1 A 50 50 SER HA H 50 4.172 4.445 -0.273 2
1 647 . 1 1 A 50 50 SER C C 50 176.027 174.969 1.058 2
1 648 . 1 1 A 50 50 SER CA C 50 62.548 59.069 3.479 2
1 649 . 1 1 A 50 50 SER CB C 50 64.840 63.675 1.165 2
1 650 . 1 1 A 50 50 SER N N 50 115.695 116.749 -1.054 2
1 651 . 1 1 A 51 51 SER H H 51 7.980 8.614 -0.634 2
1 652 . 1 1 A 51 51 SER HA H 51 4.258 4.283 -0.025 2
1 655 . 1 1 A 51 51 SER C C 51 174.427 175.251 -0.824 2
1 656 . 1 1 A 51 51 SER CA C 51 62.828 60.632 2.196 2
1 657 . 1 1 A 51 51 SER CB C 51 64.749 62.383 2.366 2
1 658 . 1 1 A 51 51 SER N N 51 117.126 116.921 0.205 2
1 659 . 1 1 A 52 52 ILE H H 52 7.365 8.042 -0.677 2
1 660 . 1 1 A 52 52 ILE HA H 52 4.038 3.935 0.103 2
1 670 . 1 1 A 52 52 ILE C C 52 175.627 177.413 -1.786 2
1 671 . 1 1 A 52 52 ILE CA C 52 64.609 63.805 0.804 2
1 672 . 1 1 A 52 52 ILE CB C 52 39.272 37.805 1.467 2
1 676 . 1 1 A 52 52 ILE N N 52 117.484 119.164 -1.680 2
1 677 . 1 1 A 53 53 ASP H H 53 7.681 8.154 -0.473 2
1 678 . 1 1 A 53 53 ASP HA H 53 4.214 4.433 -0.219 2
1 681 . 1 1 A 53 53 ASP C C 53 174.027 177.993 -3.966 2
1 682 . 1 1 A 53 53 ASP CA C 53 59.799 56.911 2.888 2
1 683 . 1 1 A 53 53 ASP CB C 53 42.927 41.172 1.755 2
1 684 . 1 1 A 53 53 ASP N N 53 121.969 121.738 0.231 2
1 685 . 1 1 A 54 54 ASP H H 54 8.227 8.026 0.201 2
1 686 . 1 1 A 54 54 ASP HA H 54 4.231 4.373 -0.142 2
1 689 . 1 1 A 54 54 ASP C C 54 172.927 178.730 -5.803 2
1 690 . 1 1 A 54 54 ASP CA C 54 59.507 57.344 2.163 2
1 691 . 1 1 A 54 54 ASP CB C 54 41.818 41.340 0.478 2
1 692 . 1 1 A 54 54 ASP N N 54 118.083 119.554 -1.471 2
1 693 . 1 1 A 55 55 LEU H H 55 7.650 8.057 -0.407 2
1 694 . 1 1 A 55 55 LEU HA H 55 4.016 4.056 -0.040 2
1 704 . 1 1 A 55 55 LEU C C 55 171.927 179.260 -7.333 2
1 705 . 1 1 A 55 55 LEU CA C 55 59.965 57.944 2.021 2
1 706 . 1 1 A 55 55 LEU CB C 55 43.370 41.342 2.028 2
1 710 . 1 1 A 55 55 LEU N N 55 121.634 120.274 1.360 2
1 711 . 1 1 A 56 56 MET H H 56 8.429 8.414 0.015 2
1 712 . 1 1 A 56 56 MET HA H 56 4.325 4.201 0.124 2
1 720 . 1 1 A 56 56 MET C C 56 172.527 178.655 -6.128 2
1 721 . 1 1 A 56 56 MET CA C 56 59.221 59.135 0.086 2
1 722 . 1 1 A 56 56 MET CB C 56 34.106 32.584 1.522 2
1 725 . 1 1 A 56 56 MET N N 56 118.696 117.268 1.428 2
1 726 . 1 1 A 57 57 LYS H H 57 8.249 8.071 0.178 2
1 727 . 1 1 A 57 57 LYS HA H 57 3.996 4.191 -0.195 2
1 736 . 1 1 A 57 57 LYS C C 57 172.527 178.866 -6.339 2
1 737 . 1 1 A 57 57 LYS CA C 57 60.872 58.840 2.032 2
1 738 . 1 1 A 57 57 LYS CB C 57 33.853 32.126 1.727 2
1 742 . 1 1 A 57 57 LYS N N 57 119.855 119.900 -0.045 2
1 743 . 1 1 A 58 58 SER H H 58 7.729 8.151 -0.422 2
1 744 . 1 1 A 58 58 SER HA H 58 4.125 4.344 -0.219 2
1 747 . 1 1 A 58 58 SER C C 58 176.527 176.725 -0.198 2
1 748 . 1 1 A 58 58 SER CA C 58 63.029 61.131 1.898 2
1 749 . 1 1 A 58 58 SER CB C 58 64.686 63.121 1.565 2
1 750 . 1 1 A 58 58 SER N N 58 115.984 115.754 0.230 2
1 751 . 1 1 A 59 59 LEU H H 59 7.288 7.989 -0.701 2
1 752 . 1 1 A 59 59 LEU HA H 59 4.058 4.065 -0.007 2
1 762 . 1 1 A 59 59 LEU C C 59 175.827 178.428 -2.601 2
1 763 . 1 1 A 59 59 LEU CA C 59 57.364 57.706 -0.342 2
1 764 . 1 1 A 59 59 LEU CB C 59 42.712 41.672 1.040 2
1 768 . 1 1 A 59 59 LEU N N 59 120.622 121.655 -1.033 2
1 769 . 1 1 A 60 60 ASP H H 60 7.431 8.229 -0.798 2
1 770 . 1 1 A 60 60 ASP HA H 60 4.386 4.486 -0.100 2
1 773 . 1 1 A 60 60 ASP C C 60 175.927 178.133 -2.206 2
1 774 . 1 1 A 60 60 ASP CA C 60 57.012 56.615 0.397 2
1 775 . 1 1 A 60 60 ASP CB C 60 42.351 40.764 1.587 2
1 776 . 1 1 A 60 60 ASP N N 60 116.755 119.062 -2.307 2
1 777 . 1 1 A 61 61 LYS H H 61 7.243 7.863 -0.620 2
1 778 . 1 1 A 61 61 LYS HA H 61 4.223 4.063 0.160 2
1 787 . 1 1 A 61 61 LYS C C 61 176.527 177.508 -0.981 2
1 788 . 1 1 A 61 61 LYS CA C 61 57.287 58.891 -1.604 2
1 789 . 1 1 A 61 61 LYS CB C 61 34.683 32.370 2.313 2
1 793 . 1 1 A 61 61 LYS N N 61 119.913 119.111 0.802 2
1 794 . 1 1 A 62 62 ASN H H 62 8.725 7.817 0.908 2
1 795 . 1 1 A 62 62 ASN HA H 62 4.462 4.935 -0.473 2
1 800 . 1 1 A 62 62 ASN C C 62 175.627 175.681 -0.054 2
1 801 . 1 1 A 62 62 ASN CA C 62 55.452 53.087 2.365 2
1 802 . 1 1 A 62 62 ASN CB C 62 39.336 40.106 -0.770 2
1 803 . 1 1 A 62 62 ASN N N 62 120.247 115.889 4.358 2
1 805 . 1 1 A 63 63 SER H H 63 8.061 8.120 -0.059 2
1 806 . 1 1 A 63 63 SER HA H 63 3.957 4.374 -0.417 2
1 809 . 1 1 A 63 63 SER C C 63 174.827 174.129 0.698 2
1 810 . 1 1 A 63 63 SER CA C 63 62.954 60.300 2.654 2
1 811 . 1 1 A 63 63 SER CB C 63 65.586 62.589 2.997 2
1 812 . 1 1 A 63 63 SER N N 63 113.249 114.406 -1.157 2
1 813 . 1 1 A 64 64 ASP H H 64 8.408 8.266 0.142 2
1 814 . 1 1 A 64 64 ASP HA H 64 4.573 4.763 -0.190 2
1 817 . 1 1 A 64 64 ASP C C 64 176.027 175.188 0.839 2
1 818 . 1 1 A 64 64 ASP CA C 64 55.789 54.014 1.775 2
1 819 . 1 1 A 64 64 ASP CB C 64 42.365 41.632 0.733 2
1 820 . 1 1 A 64 64 ASP N N 64 117.587 118.824 -1.237 2
1 821 . 1 1 A 65 65 GLN H H 65 7.779 7.596 0.183 2
1 822 . 1 1 A 65 65 GLN HA H 65 4.026 4.679 -0.653 2
1 829 . 1 1 A 65 65 GLN C C 65 176.827 175.276 1.551 2
1 830 . 1 1 A 65 65 GLN CA C 65 58.241 54.891 3.350 2
1 831 . 1 1 A 65 65 GLN CB C 65 31.309 31.133 0.176 2
1 833 . 1 1 A 65 65 GLN N N 65 121.059 118.167 2.892 2
1 835 . 1 1 A 66 66 GLU H H 66 8.365 8.599 -0.234 2
1 836 . 1 1 A 66 66 GLU HA H 66 4.320 4.798 -0.478 2
1 841 . 1 1 A 66 66 GLU C C 66 176.227 176.370 -0.143 2
1 842 . 1 1 A 66 66 GLU CA C 66 58.238 56.639 1.599 2
1 843 . 1 1 A 66 66 GLU CB C 66 32.567 30.810 1.757 2
1 845 . 1 1 A 66 66 GLU N N 66 123.061 121.311 1.750 2
1 846 . 1 1 A 67 67 ILE H H 67 9.350 8.965 0.385 2
1 847 . 1 1 A 67 67 ILE HA H 67 4.543 4.941 -0.398 2
1 857 . 1 1 A 67 67 ILE C C 67 178.127 174.884 3.243 2
1 858 . 1 1 A 67 67 ILE CA C 67 61.173 59.160 2.013 2
1 859 . 1 1 A 67 67 ILE CB C 67 41.460 41.868 -0.408 2
1 863 . 1 1 A 67 67 ILE N N 67 121.809 119.859 1.950 2
1 864 . 1 1 A 68 68 ASP H H 68 8.140 8.616 -0.476 2
1 865 . 1 1 A 68 68 ASP HA H 68 5.408 5.111 0.297 2
1 868 . 1 1 A 68 68 ASP C C 68 176.127 176.955 -0.828 2
1 869 . 1 1 A 68 68 ASP CA C 68 53.471 52.811 0.660 2
1 870 . 1 1 A 68 68 ASP CB C 68 43.898 42.118 1.780 2
1 871 . 1 1 A 68 68 ASP N N 68 122.626 123.968 -1.342 2
1 872 . 1 1 A 69 69 PHE H H 69 9.486 8.918 0.568 2
1 873 . 1 1 A 69 69 PHE HA H 69 3.397 3.883 -0.486 2
1 880 . 1 1 A 69 69 PHE C C 69 174.727 177.540 -2.813 2
1 881 . 1 1 A 69 69 PHE CA C 69 63.764 61.062 2.702 2
1 882 . 1 1 A 69 69 PHE CB C 69 42.009 38.921 3.088 2
1 883 . 1 1 A 69 69 PHE N N 69 118.584 121.747 -3.163 2
1 884 . 1 1 A 70 70 LYS H H 70 7.510 8.323 -0.813 2
1 885 . 1 1 A 70 70 LYS HA H 70 3.633 4.069 -0.436 2
1 894 . 1 1 A 70 70 LYS C C 70 173.627 179.322 -5.695 2
1 895 . 1 1 A 70 70 LYS CA C 70 61.940 59.489 2.451 2
1 896 . 1 1 A 70 70 LYS CB C 70 33.189 32.380 0.809 2
1 900 . 1 1 A 70 70 LYS N N 70 117.327 119.646 -2.319 2
1 901 . 1 1 A 71 71 GLU H H 71 8.151 7.988 0.163 2
1 902 . 1 1 A 71 71 GLU HA H 71 3.930 4.121 -0.191 2
1 907 . 1 1 A 71 71 GLU C C 71 173.127 178.756 -5.629 2
1 908 . 1 1 A 71 71 GLU CA C 71 61.000 59.257 1.743 2
1 909 . 1 1 A 71 71 GLU CB C 71 31.639 29.580 2.059 2
1 911 . 1 1 A 71 71 GLU N N 71 120.925 119.100 1.825 2
1 912 . 1 1 A 72 72 TYR H H 72 8.454 8.020 0.434 2
1 913 . 1 1 A 72 72 TYR HA H 72 4.047 4.271 -0.224 2
1 920 . 1 1 A 72 72 TYR C C 72 177.227 177.838 -0.611 2
1 921 . 1 1 A 72 72 TYR CA C 72 62.068 61.179 0.889 2
1 922 . 1 1 A 72 72 TYR CB C 72 39.522 38.671 0.851 2
1 923 . 1 1 A 72 72 TYR N N 72 123.271 122.758 0.513 2
1 924 . 1 1 A 73 73 SER H H 73 7.990 8.297 -0.307 2
1 925 . 1 1 A 73 73 SER HA H 73 3.245 3.969 -0.724 2
1 928 . 1 1 A 73 73 SER C C 73 174.327 176.547 -2.220 2
1 929 . 1 1 A 73 73 SER CA C 73 62.841 61.349 1.492 2
1 930 . 1 1 A 73 73 SER CB C 73 64.317 62.493 1.824 2
1 931 . 1 1 A 73 73 SER N N 73 115.432 114.459 0.973 2
1 932 . 1 1 A 74 74 VAL H H 74 8.112 8.101 0.011 2
1 933 . 1 1 A 74 74 VAL HA H 74 3.375 3.793 -0.418 2
1 941 . 1 1 A 74 74 VAL C C 74 174.427 178.207 -3.780 2
1 942 . 1 1 A 74 74 VAL CA C 74 68.677 65.752 2.925 2
1 943 . 1 1 A 74 74 VAL CB C 74 33.164 31.485 1.679 2
1 946 . 1 1 A 74 74 VAL N N 74 123.807 119.213 4.594 2
1 947 . 1 1 A 75 75 PHE H H 75 8.149 8.254 -0.105 2
1 948 . 1 1 A 75 75 PHE HA H 75 3.878 4.196 -0.318 2
1 955 . 1 1 A 75 75 PHE C C 75 174.627 177.013 -2.386 2
1 956 . 1 1 A 75 75 PHE CA C 75 64.444 61.302 3.142 2
1 957 . 1 1 A 75 75 PHE CB C 75 40.823 39.216 1.607 2
1 958 . 1 1 A 75 75 PHE N N 75 122.351 123.939 -1.588 2
1 959 . 1 1 A 76 76 LEU H H 76 8.141 8.505 -0.364 2
1 960 . 1 1 A 76 76 LEU HA H 76 3.648 3.896 -0.248 2
1 970 . 1 1 A 76 76 LEU C C 76 173.327 179.210 -5.883 2
1 971 . 1 1 A 76 76 LEU CA C 76 59.810 58.053 1.757 2
1 972 . 1 1 A 76 76 LEU CB C 76 42.994 41.524 1.470 2
1 976 . 1 1 A 76 76 LEU N N 76 116.801 119.625 -2.824 2
1 977 . 1 1 A 77 77 THR H H 77 8.005 8.068 -0.063 2
1 978 . 1 1 A 77 77 THR HA H 77 3.561 3.790 -0.229 2
1 984 . 1 1 A 77 77 THR C C 77 176.427 175.905 0.522 2
1 985 . 1 1 A 77 77 THR CA C 77 69.876 66.576 3.300 2
1 986 . 1 1 A 77 77 THR CB C 77 71.163 68.266 2.897 2
1 988 . 1 1 A 77 77 THR N N 77 116.415 115.773 0.642 2
1 989 . 1 1 A 78 78 MET H H 78 8.059 8.470 -0.411 2
1 990 . 1 1 A 78 78 MET HA H 78 3.771 4.040 -0.269 2
1 995 . 1 1 A 78 78 MET C C 78 172.927 178.417 -5.490 2
1 996 . 1 1 A 78 78 MET CA C 78 60.751 58.207 2.544 2
1 997 . 1 1 A 78 78 MET CB C 78 33.255 32.032 1.223 2
1 999 . 1 1 A 78 78 MET N N 78 120.960 119.599 1.361 2
1 1000 . 1 1 A 79 79 LEU H H 79 8.007 8.214 -0.207 2
1 1001 . 1 1 A 79 79 LEU HA H 79 3.646 3.954 -0.308 2
1 1011 . 1 1 A 79 79 LEU C C 79 174.527 178.302 -3.775 2
1 1012 . 1 1 A 79 79 LEU CA C 79 59.756 57.800 1.956 2
1 1013 . 1 1 A 79 79 LEU CB C 79 42.961 41.550 1.411 2
1 1017 . 1 1 A 79 79 LEU N N 79 120.772 120.412 0.360 2
1 1018 . 1 1 A 80 80 CYS H H 80 8.268 8.201 0.067 2
1 1019 . 1 1 A 80 80 CYS HA H 80 3.344 3.449 -0.105 2
1 1022 . 1 1 A 80 80 CYS C C 80 176.127 176.712 -0.585 2
1 1023 . 1 1 A 80 80 CYS CA C 80 64.083 62.325 1.758 2
1 1024 . 1 1 A 80 80 CYS CB C 80 28.199 26.766 1.433 2
1 1025 . 1 1 A 80 80 CYS N N 80 118.257 118.145 0.112 2
1 1026 . 1 1 A 81 81 MET H H 81 7.600 8.134 -0.534 2
1 1027 . 1 1 A 81 81 MET HA H 81 3.242 4.247 -1.005 2
1 1035 . 1 1 A 81 81 MET C C 81 176.227 177.369 -1.142 2
1 1036 . 1 1 A 81 81 MET CA C 81 60.091 57.141 2.950 2
1 1037 . 1 1 A 81 81 MET CB C 81 34.090 31.976 2.114 2
1 1040 . 1 1 A 81 81 MET N N 81 114.515 119.050 -4.535 2
1 1041 . 1 1 A 82 82 ALA H H 82 7.299 7.473 -0.174 2
1 1042 . 1 1 A 82 82 ALA HA H 82 4.121 4.184 -0.063 2
1 1046 . 1 1 A 82 82 ALA C C 82 173.827 177.380 -3.553 2
1 1047 . 1 1 A 82 82 ALA CA C 82 54.930 53.560 1.370 2
1 1048 . 1 1 A 82 82 ALA CB C 82 20.641 18.745 1.896 2
1 1049 . 1 1 A 82 82 ALA N N 82 118.977 121.324 -2.347 2
1 1050 . 1 1 A 83 83 TYR H H 83 7.623 7.326 0.297 2
1 1051 . 1 1 A 83 83 TYR HA H 83 4.771 4.825 -0.054 2
1 1058 . 1 1 A 83 83 TYR CA C 83 59.333 57.174 2.159 2
1 1059 . 1 1 A 83 83 TYR CB C 83 41.599 40.149 1.450 2
1 1060 . 1 1 A 83 83 TYR N N 83 113.311 113.581 -0.270 2
1 1061 . 1 1 A 84 84 ASN HA H 84 4.534 4.751 -0.217 2
1 1064 . 1 1 A 84 84 ASN CA C 84 56.126 52.990 3.136 2
1 1065 . 1 1 A 84 84 ASN CB C 84 41.990 38.058 3.932 2
1 1066 . 1 1 A 85 85 ASP H H 85 8.681 8.411 0.270 2
1 1067 . 1 1 A 85 85 ASP HA H 85 4.086 4.438 -0.352 2
1 1070 . 1 1 A 85 85 ASP CA C 85 58.457 55.930 2.527 2
1 1071 . 1 1 A 85 85 ASP CB C 85 42.260 40.401 1.859 2
1 1072 . 1 1 A 85 85 ASP N N 85 126.079 121.417 4.662 2
1 1073 . 1 1 A 86 86 PHE H H 86 8.672 7.765 0.907 2
1 1074 . 1 1 A 86 86 PHE HA H 86 3.744 4.293 -0.549 2
1 1081 . 1 1 A 86 86 PHE C C 86 176.827 176.815 0.012 2
1 1082 . 1 1 A 86 86 PHE CA C 86 62.903 60.238 2.665 2
1 1083 . 1 1 A 86 86 PHE CB C 86 41.596 38.358 3.238 2
1 1084 . 1 1 A 86 86 PHE N N 86 121.950 118.557 3.393 2
1 1085 . 1 1 A 87 87 PHE H H 87 7.225 7.665 -0.440 2
1 1086 . 1 1 A 87 87 PHE HA H 87 3.836 4.704 -0.868 2
1 1093 . 1 1 A 87 87 PHE C C 87 176.927 175.375 1.552 2
1 1094 . 1 1 A 87 87 PHE CA C 87 60.422 58.014 2.408 2
1 1095 . 1 1 A 87 87 PHE CB C 87 41.081 39.557 1.524 2
1 1096 . 1 1 A 87 87 PHE N N 87 110.928 116.068 -5.140 2
1 1097 . 1 1 A 88 88 LEU H H 88 7.130 7.621 -0.491 2
1 1098 . 1 1 A 88 88 LEU HA H 88 4.169 4.596 -0.427 2
1 1108 . 1 1 A 88 88 LEU C C 88 175.027 176.749 -1.722 2
1 1109 . 1 1 A 88 88 LEU CA C 88 56.962 53.927 3.035 2
1 1110 . 1 1 A 88 88 LEU CB C 88 44.199 43.358 0.841 2
1 1114 . 1 1 A 88 88 LEU N N 88 119.732 120.128 -0.396 2
1 1115 . 1 1 A 89 89 GLU H H 89 8.097 8.649 -0.552 2
1 1116 . 1 1 A 89 89 GLU HA H 89 4.087 4.477 -0.390 2
1 1121 . 1 1 A 89 89 GLU C C 89 176.427 175.871 0.556 2
1 1122 . 1 1 A 89 89 GLU CA C 89 58.216 56.913 1.303 2
1 1123 . 1 1 A 89 89 GLU CB C 89 32.309 31.216 1.093 2
1 1125 . 1 1 A 89 89 GLU N N 89 121.626 120.147 1.479 2
1 1126 . 1 1 A 90 90 ASP H H 90 8.243 7.964 0.279 2
1 1127 . 1 1 A 90 90 ASP HA H 90 4.425 4.675 -0.250 2
1 1130 . 1 1 A 90 90 ASP C C 90 176.527 175.246 1.281 2
1 1131 . 1 1 A 90 90 ASP CA C 90 55.815 54.381 1.434 2
1 1132 . 1 1 A 90 90 ASP CB C 90 42.874 42.104 0.770 2
1 1133 . 1 1 A 90 90 ASP N N 90 121.280 117.836 3.444 2
1 1134 . 1 1 A 91 91 ASN H H 91 8.267 8.360 -0.093 2
1 1135 . 1 1 A 91 91 ASN HA H 91 4.563 4.709 -0.146 2
1 1140 . 1 1 A 91 91 ASN C C 91 178.127 174.907 3.220 2
1 1141 . 1 1 A 91 91 ASN CA C 91 54.928 53.774 1.154 2
1 1142 . 1 1 A 91 91 ASN CB C 91 40.529 38.650 1.879 2
1 1143 . 1 1 A 91 91 ASN N N 91 119.209 118.357 0.852 2
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