data_10295_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 10295
_Entry.PDB_ID 2DMT
_Entry.NMR_STAR_version 3.0.9.100
save_
save_delta_chem_shifts_single
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_single
_Entity_delta_chem_shifts.Conformer_type "single"
_Entity_delta_chem_shifts.Conformer_count 20
_Entity_delta_chem_shifts.Best_conformer 1
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Conformer_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 1 A 7 7 GLY HA2 H 7 4.014 4.198 -0.184 1
1 2 . 1 1 1 A 7 7 GLY HA3 H 7 4.014 4.199 -0.185 1
1 3 . 1 1 1 A 7 7 GLY C C 7 174.578 172.722 1.856 1
1 4 . 1 1 1 A 7 7 GLY CA C 7 45.445 45.884 -0.439 1
1 5 . 1 1 1 A 8 8 GLY H H 8 8.219 9.027 -0.808 1
1 6 . 1 1 1 A 8 8 GLY HA2 H 8 3.959 4.147 -0.188 1
1 7 . 1 1 1 A 8 8 GLY HA3 H 8 3.959 4.147 -0.188 1
1 8 . 1 1 1 A 8 8 GLY C C 8 173.898 173.055 0.843 1
1 9 . 1 1 1 A 8 8 GLY CA C 8 44.923 44.748 0.175 1
1 10 . 1 1 1 A 8 8 GLY N N 8 108.655 111.637 -2.982 1
1 11 . 1 1 1 A 9 9 GLU H H 9 8.378 8.856 -0.478 1
1 12 . 1 1 1 A 9 9 GLU HA H 9 4.586 4.497 0.089 1
1 16 . 1 1 1 A 9 9 GLU C C 9 175.015 176.467 -1.452 1
1 17 . 1 1 1 A 9 9 GLU CA C 9 54.661 55.194 -0.533 1
1 18 . 1 1 1 A 9 9 GLU CB C 9 29.534 29.301 0.233 1
1 20 . 1 1 1 A 9 9 GLU N N 9 121.838 120.232 1.606 1
1 21 . 1 1 1 A 10 10 PRO HA H 10 4.428 4.477 -0.049 1
1 28 . 1 1 1 A 10 10 PRO C C 10 177.856 176.608 1.248 1
1 29 . 1 1 1 A 10 10 PRO CA C 10 63.767 63.834 -0.067 1
1 30 . 1 1 1 A 10 10 PRO CB C 10 32.080 32.102 -0.022 1
1 33 . 1 1 1 A 11 11 GLY H H 11 8.556 7.326 1.230 1
1 34 . 1 1 1 A 11 11 GLY HA2 H 11 3.997 4.018 -0.021 1
1 35 . 1 1 1 A 11 11 GLY HA3 H 11 3.997 4.018 -0.021 1
1 36 . 1 1 1 A 11 11 GLY C C 11 174.724 171.724 3.000 1
1 37 . 1 1 1 A 11 11 GLY CA C 11 45.529 45.619 -0.090 1
1 38 . 1 1 1 A 11 11 GLY N N 11 108.931 106.459 2.472 1
1 39 . 1 1 1 A 12 12 THR H H 12 7.973 8.974 -1.001 1
1 40 . 1 1 1 A 12 12 THR HA H 12 4.306 5.210 -0.904 1
1 45 . 1 1 1 A 12 12 THR C C 12 174.942 173.094 1.848 1
1 46 . 1 1 1 A 12 12 THR CA C 12 62.240 59.551 2.689 1
1 47 . 1 1 1 A 12 12 THR CB C 12 69.882 72.294 -2.412 1
1 49 . 1 1 1 A 12 12 THR N N 12 113.454 115.203 -1.749 1
1 50 . 1 1 1 A 13 13 LYS H H 13 8.313 8.907 -0.594 1
1 51 . 1 1 1 A 13 13 LYS HA H 13 4.281 5.198 -0.917 1
1 58 . 1 1 1 A 13 13 LYS C C 13 176.520 174.362 2.158 1
1 59 . 1 1 1 A 13 13 LYS CA C 13 56.565 54.839 1.726 1
1 60 . 1 1 1 A 13 13 LYS CB C 13 32.590 36.575 -3.985 1
1 64 . 1 1 1 A 13 13 LYS N N 13 123.479 118.832 4.647 1
1 65 . 1 1 1 A 14 14 ALA H H 14 8.192 8.839 -0.647 1
1 66 . 1 1 1 A 14 14 ALA HA H 14 4.272 5.264 -0.992 1
1 70 . 1 1 1 A 14 14 ALA C C 14 177.807 176.183 1.624 1
1 71 . 1 1 1 A 14 14 ALA CA C 14 52.581 50.424 2.157 1
1 72 . 1 1 1 A 14 14 ALA CB C 14 19.258 22.683 -3.425 1
1 73 . 1 1 1 A 14 14 ALA N N 14 124.692 121.803 2.889 1
1 74 . 1 1 1 A 15 15 LYS H H 15 8.264 9.025 -0.761 1
1 75 . 1 1 1 A 15 15 LYS HA H 15 4.296 5.143 -0.847 1
1 81 . 1 1 1 A 15 15 LYS C C 15 176.812 174.226 2.586 1
1 82 . 1 1 1 A 15 15 LYS CA C 15 56.403 54.636 1.767 1
1 83 . 1 1 1 A 15 15 LYS CB C 15 32.979 36.124 -3.145 1
1 87 . 1 1 1 A 15 15 LYS N N 15 120.979 118.888 2.091 1
1 88 . 1 1 1 A 16 16 LYS H H 16 8.330 8.905 -0.575 1
1 89 . 1 1 1 A 16 16 LYS HA H 16 4.289 5.150 -0.861 1
1 93 . 1 1 1 A 16 16 LYS C C 16 177.103 175.927 1.176 1
1 94 . 1 1 1 A 16 16 LYS CB C 16 33.072 35.905 -2.833 1
1 98 . 1 1 1 A 16 16 LYS N N 16 122.581 121.246 1.335 1
1 99 . 1 1 1 A 22 22 THR HA H 22 4.294 4.178 0.116 1
1 104 . 1 1 1 A 22 22 THR C C 22 174.020 174.745 -0.725 1
1 105 . 1 1 1 A 22 22 THR CA C 22 61.928 62.472 -0.544 1
1 106 . 1 1 1 A 22 22 THR CB C 22 69.730 69.261 0.469 1
1 108 . 1 1 1 A 23 23 VAL H H 23 8.087 8.745 -0.658 1
1 109 . 1 1 1 A 23 23 VAL HA H 23 4.112 4.878 -0.766 1
1 117 . 1 1 1 A 23 23 VAL C C 23 175.646 174.022 1.624 1
1 118 . 1 1 1 A 23 23 VAL CA C 23 62.011 59.622 2.389 1
1 119 . 1 1 1 A 23 23 VAL CB C 23 33.060 34.890 -1.830 1
1 122 . 1 1 1 A 23 23 VAL N N 23 123.252 121.363 1.889 1
1 123 . 1 1 1 A 24 24 PHE H H 24 8.220 9.434 -1.214 1
1 124 . 1 1 1 A 24 24 PHE HA H 24 4.976 5.416 -0.440 1
1 132 . 1 1 1 A 24 24 PHE C C 24 176.739 175.830 0.909 1
1 133 . 1 1 1 A 24 24 PHE CA C 24 56.389 55.504 0.885 1
1 134 . 1 1 1 A 24 24 PHE CB C 24 40.492 41.939 -1.447 1
1 140 . 1 1 1 A 24 24 PHE N N 24 123.332 123.063 0.269 1
1 141 . 1 1 1 A 25 25 THR H H 25 9.003 9.071 -0.068 1
1 142 . 1 1 1 A 25 25 THR HA H 25 4.470 4.681 -0.211 1
1 147 . 1 1 1 A 25 25 THR C C 25 175.209 176.104 -0.895 1
1 148 . 1 1 1 A 25 25 THR CA C 25 60.598 60.903 -0.305 1
1 149 . 1 1 1 A 25 25 THR CB C 25 70.801 70.457 0.344 1
1 151 . 1 1 1 A 25 25 THR N N 25 113.078 115.025 -1.947 1
1 152 . 1 1 1 A 26 26 GLU H H 26 8.991 8.906 0.085 1
1 153 . 1 1 1 A 26 26 GLU HA H 26 4.036 3.953 0.083 1
1 158 . 1 1 1 A 26 26 GLU C C 26 179.118 178.680 0.438 1
1 159 . 1 1 1 A 26 26 GLU CA C 26 60.222 59.754 0.468 1
1 160 . 1 1 1 A 26 26 GLU CB C 26 29.271 29.281 -0.010 1
1 162 . 1 1 1 A 26 26 GLU N N 26 120.978 122.565 -1.587 1
1 163 . 1 1 1 A 27 27 LEU H H 27 8.120 8.066 0.054 1
1 164 . 1 1 1 A 27 27 LEU HA H 27 4.117 4.025 0.092 1
1 174 . 1 1 1 A 27 27 LEU C C 27 180.623 178.831 1.792 1
1 175 . 1 1 1 A 27 27 LEU CA C 27 58.187 58.062 0.125 1
1 176 . 1 1 1 A 27 27 LEU CB C 27 42.220 41.941 0.279 1
1 180 . 1 1 1 A 27 27 LEU N N 27 118.897 121.259 -2.362 1
1 181 . 1 1 1 A 28 28 GLN H H 28 7.733 7.911 -0.178 1
1 182 . 1 1 1 A 28 28 GLN HA H 28 3.864 3.937 -0.073 1
1 189 . 1 1 1 A 28 28 GLN C C 28 177.492 178.512 -1.020 1
1 190 . 1 1 1 A 28 28 GLN CA C 28 59.212 58.695 0.517 1
1 191 . 1 1 1 A 28 28 GLN CB C 28 27.740 28.227 -0.487 1
1 193 . 1 1 1 A 28 28 GLN N N 28 119.947 117.767 2.180 1
1 195 . 1 1 1 A 29 29 LEU H H 29 8.336 8.342 -0.006 1
1 196 . 1 1 1 A 29 29 LEU HA H 29 3.665 3.612 0.053 1
1 206 . 1 1 1 A 29 29 LEU C C 29 179.118 178.641 0.477 1
1 207 . 1 1 1 A 29 29 LEU CA C 29 58.068 57.613 0.455 1
1 208 . 1 1 1 A 29 29 LEU CB C 29 41.582 41.615 -0.033 1
1 212 . 1 1 1 A 29 29 LEU N N 29 118.154 120.336 -2.182 1
1 213 . 1 1 1 A 30 30 MET H H 30 8.282 8.128 0.154 1
1 214 . 1 1 1 A 30 30 MET HA H 30 4.118 4.025 0.093 1
1 222 . 1 1 1 A 30 30 MET C C 30 179.070 178.815 0.255 1
1 223 . 1 1 1 A 30 30 MET CA C 30 58.583 58.759 -0.176 1
1 224 . 1 1 1 A 30 30 MET CB C 30 32.665 32.073 0.592 1
1 227 . 1 1 1 A 30 30 MET N N 30 117.314 118.527 -1.213 1
1 228 . 1 1 1 A 31 31 GLY H H 31 7.904 8.115 -0.211 1
1 229 . 1 1 1 A 31 31 GLY HA2 H 31 3.787 3.682 0.105 1
1 230 . 1 1 1 A 31 31 GLY HA3 H 31 3.631 3.703 -0.072 1
1 231 . 1 1 1 A 31 31 GLY C C 31 176.618 175.543 1.075 1
1 232 . 1 1 1 A 31 31 GLY CA C 31 47.231 47.407 -0.176 1
1 233 . 1 1 1 A 31 31 GLY N N 31 107.053 106.744 0.309 1
1 234 . 1 1 1 A 32 32 LEU H H 32 7.982 8.237 -0.255 1
1 235 . 1 1 1 A 32 32 LEU HA H 32 3.577 3.893 -0.316 1
1 245 . 1 1 1 A 32 32 LEU C C 32 177.564 179.662 -2.098 1
1 246 . 1 1 1 A 32 32 LEU CA C 32 58.318 57.548 0.770 1
1 247 . 1 1 1 A 32 32 LEU CB C 32 38.280 40.659 -2.379 1
1 251 . 1 1 1 A 32 32 LEU N N 32 125.323 122.403 2.920 1
1 252 . 1 1 1 A 33 33 GLU H H 33 8.054 8.246 -0.192 1
1 253 . 1 1 1 A 33 33 GLU HA H 33 4.283 4.182 0.101 1
1 258 . 1 1 1 A 33 33 GLU C C 33 180.041 179.443 0.598 1
1 259 . 1 1 1 A 33 33 GLU CA C 33 59.157 59.740 -0.583 1
1 260 . 1 1 1 A 33 33 GLU CB C 33 29.155 29.342 -0.187 1
1 262 . 1 1 1 A 33 33 GLU N N 33 118.448 117.752 0.696 1
1 263 . 1 1 1 A 34 34 LYS H H 34 8.229 7.772 0.457 1
1 264 . 1 1 1 A 34 34 LYS HA H 34 4.099 4.048 0.051 1
1 271 . 1 1 1 A 34 34 LYS C C 34 179.822 178.638 1.184 1
1 272 . 1 1 1 A 34 34 LYS CA C 34 58.789 59.736 -0.947 1
1 273 . 1 1 1 A 34 34 LYS CB C 34 32.073 32.399 -0.326 1
1 277 . 1 1 1 A 34 34 LYS N N 34 118.230 121.436 -3.206 1
1 278 . 1 1 1 A 35 35 ARG H H 35 7.560 7.898 -0.338 1
1 279 . 1 1 1 A 35 35 ARG HA H 35 4.190 4.078 0.112 1
1 286 . 1 1 1 A 35 35 ARG C C 35 178.001 178.568 -0.567 1
1 287 . 1 1 1 A 35 35 ARG CA C 35 57.095 59.481 -2.386 1
1 288 . 1 1 1 A 35 35 ARG CB C 35 28.882 30.000 -1.118 1
1 291 . 1 1 1 A 35 35 ARG N N 35 120.162 118.597 1.565 1
1 292 . 1 1 1 A 36 36 PHE H H 36 8.810 8.191 0.619 1
1 293 . 1 1 1 A 36 36 PHE HA H 36 4.227 3.949 0.278 1
1 301 . 1 1 1 A 36 36 PHE C C 36 176.520 176.878 -0.358 1
1 302 . 1 1 1 A 36 36 PHE CA C 36 60.886 61.734 -0.848 1
1 303 . 1 1 1 A 36 36 PHE CB C 36 39.333 38.705 0.628 1
1 309 . 1 1 1 A 36 36 PHE N N 36 122.860 120.673 2.187 1
1 310 . 1 1 1 A 37 37 GLU H H 37 7.772 8.502 -0.730 1
1 311 . 1 1 1 A 37 37 GLU HA H 37 3.701 4.021 -0.320 1
1 316 . 1 1 1 A 37 37 GLU C C 37 177.297 179.375 -2.078 1
1 317 . 1 1 1 A 37 37 GLU CA C 37 59.036 59.764 -0.728 1
1 318 . 1 1 1 A 37 37 GLU CB C 37 29.981 29.046 0.935 1
1 320 . 1 1 1 A 37 37 GLU N N 37 116.313 117.838 -1.525 1
1 321 . 1 1 1 A 38 38 LYS H H 38 7.005 7.643 -0.638 1
1 322 . 1 1 1 A 38 38 LYS HA H 38 4.280 4.112 0.168 1
1 329 . 1 1 1 A 38 38 LYS C C 38 177.079 176.925 0.154 1
1 330 . 1 1 1 A 38 38 LYS CA C 38 56.741 59.320 -2.579 1
1 331 . 1 1 1 A 38 38 LYS CB C 38 34.301 32.445 1.856 1
1 335 . 1 1 1 A 38 38 LYS N N 38 114.632 119.997 -5.365 1
1 336 . 1 1 1 A 39 39 GLN H H 39 8.641 8.268 0.373 1
1 337 . 1 1 1 A 39 39 GLN HA H 39 4.509 4.409 0.100 1
1 344 . 1 1 1 A 39 39 GLN C C 39 173.340 175.516 -2.176 1
1 345 . 1 1 1 A 39 39 GLN CA C 39 55.527 54.438 1.089 1
1 346 . 1 1 1 A 39 39 GLN CB C 39 31.827 29.586 2.241 1
1 348 . 1 1 1 A 39 39 GLN N N 39 120.830 118.199 2.631 1
1 350 . 1 1 1 A 40 40 LYS H H 40 8.474 8.123 0.351 1
1 351 . 1 1 1 A 40 40 LYS HA H 40 3.598 2.875 0.723 1
1 360 . 1 1 1 A 40 40 LYS C C 40 174.530 175.970 -1.440 1
1 361 . 1 1 1 A 40 40 LYS CA C 40 56.459 58.985 -2.526 1
1 362 . 1 1 1 A 40 40 LYS CB C 40 32.276 31.173 1.103 1
1 366 . 1 1 1 A 40 40 LYS N N 40 125.122 125.548 -0.426 1
1 367 . 1 1 1 A 41 41 TYR H H 41 7.513 7.332 0.181 1
1 368 . 1 1 1 A 41 41 TYR HA H 41 4.537 5.196 -0.659 1
1 375 . 1 1 1 A 41 41 TYR C C 41 174.700 175.318 -0.618 1
1 376 . 1 1 1 A 41 41 TYR CA C 41 56.743 56.635 0.108 1
1 377 . 1 1 1 A 41 41 TYR CB C 41 41.274 41.046 0.228 1
1 382 . 1 1 1 A 41 41 TYR N N 41 113.703 115.784 -2.081 1
1 383 . 1 1 1 A 42 42 LEU H H 42 8.544 8.667 -0.123 1
1 384 . 1 1 1 A 42 42 LEU HA H 42 4.610 4.526 0.084 1
1 394 . 1 1 1 A 42 42 LEU C C 42 177.273 177.232 0.041 1
1 395 . 1 1 1 A 42 42 LEU CA C 42 53.408 54.370 -0.962 1
1 396 . 1 1 1 A 42 42 LEU CB C 42 44.040 42.260 1.780 1
1 400 . 1 1 1 A 42 42 LEU N N 42 123.003 125.670 -2.667 1
1 401 . 1 1 1 A 43 43 SER H H 43 8.651 8.979 -0.328 1
1 402 . 1 1 1 A 43 43 SER HA H 43 4.621 4.609 0.012 1
1 405 . 1 1 1 A 43 43 SER C C 43 174.530 175.790 -1.260 1
1 406 . 1 1 1 A 43 43 SER CA C 43 57.053 57.670 -0.617 1
1 407 . 1 1 1 A 43 43 SER CB C 43 64.786 64.648 0.138 1
1 408 . 1 1 1 A 43 43 SER N N 43 118.850 116.975 1.875 1
1 409 . 1 1 1 A 44 44 THR H H 44 9.159 8.943 0.216 1
1 410 . 1 1 1 A 44 44 THR HA H 44 4.428 4.006 0.422 1
1 415 . 1 1 1 A 44 44 THR C C 44 175.428 173.736 1.692 1
1 416 . 1 1 1 A 44 44 THR CA C 44 66.563 67.640 -1.077 1
1 417 . 1 1 1 A 44 44 THR CB C 44 69.210 67.565 1.645 1
1 419 . 1 1 1 A 44 44 THR N N 44 117.903 117.075 0.828 1
1 420 . 1 1 1 A 45 45 PRO HA H 45 4.188 4.296 -0.108 1
1 427 . 1 1 1 A 45 45 PRO C C 45 179.312 178.806 0.506 1
1 428 . 1 1 1 A 45 45 PRO CA C 45 66.163 66.324 -0.161 1
1 429 . 1 1 1 A 45 45 PRO CB C 45 30.975 30.546 0.429 1
1 432 . 1 1 1 A 46 46 ASP H H 46 7.289 8.393 -1.104 1
1 433 . 1 1 1 A 46 46 ASP HA H 46 4.387 4.304 0.083 1
1 436 . 1 1 1 A 46 46 ASP C C 46 178.390 178.778 -0.388 1
1 437 . 1 1 1 A 46 46 ASP CA C 46 56.974 57.528 -0.554 1
1 438 . 1 1 1 A 46 46 ASP CB C 46 41.498 40.333 1.165 1
1 439 . 1 1 1 A 46 46 ASP N N 46 117.060 117.488 -0.428 1
1 440 . 1 1 1 A 47 47 ARG H H 47 8.493 7.970 0.523 1
1 441 . 1 1 1 A 47 47 ARG HA H 47 3.754 3.961 -0.207 1
1 448 . 1 1 1 A 47 47 ARG C C 47 177.880 178.697 -0.817 1
1 449 . 1 1 1 A 47 47 ARG CA C 47 60.123 58.724 1.399 1
1 450 . 1 1 1 A 47 47 ARG CB C 47 30.355 29.967 0.388 1
1 453 . 1 1 1 A 47 47 ARG N N 47 122.143 119.955 2.188 1
1 454 . 1 1 1 A 48 48 ILE H H 48 8.219 7.756 0.463 1
1 455 . 1 1 1 A 48 48 ILE HA H 48 3.475 3.630 -0.155 1
1 465 . 1 1 1 A 48 48 ILE C C 48 178.026 177.665 0.361 1
1 466 . 1 1 1 A 48 48 ILE CA C 48 66.105 65.490 0.615 1
1 467 . 1 1 1 A 48 48 ILE CB C 48 38.440 38.116 0.324 1
1 471 . 1 1 1 A 48 48 ILE N N 48 119.888 120.406 -0.518 1
1 472 . 1 1 1 A 49 49 ASP H H 49 7.775 8.268 -0.493 1
1 473 . 1 1 1 A 49 49 ASP HA H 49 4.406 4.280 0.126 1
1 476 . 1 1 1 A 49 49 ASP C C 49 178.900 178.296 0.604 1
1 477 . 1 1 1 A 49 49 ASP CA C 49 57.380 57.552 -0.172 1
1 478 . 1 1 1 A 49 49 ASP CB C 49 41.523 41.609 -0.086 1
1 479 . 1 1 1 A 49 49 ASP N N 49 119.245 120.504 -1.259 1
1 480 . 1 1 1 A 50 50 LEU H H 50 8.344 7.929 0.415 1
1 481 . 1 1 1 A 50 50 LEU HA H 50 4.090 4.063 0.027 1
1 491 . 1 1 1 A 50 50 LEU C C 50 178.705 178.282 0.423 1
1 492 . 1 1 1 A 50 50 LEU CA C 50 57.651 58.073 -0.422 1
1 493 . 1 1 1 A 50 50 LEU CB C 50 42.526 41.957 0.569 1
1 497 . 1 1 1 A 50 50 LEU N N 50 121.649 120.382 1.267 1
1 498 . 1 1 1 A 51 51 ALA H H 51 8.513 8.214 0.299 1
1 499 . 1 1 1 A 51 51 ALA HA H 51 3.611 3.960 -0.349 1
1 503 . 1 1 1 A 51 51 ALA C C 51 179.749 179.011 0.738 1
1 504 . 1 1 1 A 51 51 ALA CA C 51 56.139 54.727 1.412 1
1 505 . 1 1 1 A 51 51 ALA CB C 51 17.519 18.498 -0.979 1
1 506 . 1 1 1 A 51 51 ALA N N 51 120.902 120.352 0.550 1
1 507 . 1 1 1 A 52 52 GLU H H 52 8.285 7.410 0.875 1
1 508 . 1 1 1 A 52 52 GLU HA H 52 4.097 4.203 -0.106 1
1 513 . 1 1 1 A 52 52 GLU C C 52 180.114 179.554 0.560 1
1 514 . 1 1 1 A 52 52 GLU CA C 52 59.307 58.683 0.624 1
1 515 . 1 1 1 A 52 52 GLU CB C 52 29.408 29.592 -0.184 1
1 517 . 1 1 1 A 52 52 GLU N N 52 116.933 117.363 -0.430 1
1 518 . 1 1 1 A 53 53 SER H H 53 8.229 8.286 -0.057 1
1 519 . 1 1 1 A 53 53 SER HA H 53 4.251 4.188 0.063 1
1 522 . 1 1 1 A 53 53 SER C C 53 176.059 175.515 0.544 1
1 523 . 1 1 1 A 53 53 SER CA C 53 61.347 62.448 -1.101 1
1 524 . 1 1 1 A 53 53 SER CB C 53 63.235 63.284 -0.049 1
1 525 . 1 1 1 A 53 53 SER N N 53 114.615 118.327 -3.712 1
1 526 . 1 1 1 A 54 54 LEU H H 54 7.675 7.777 -0.102 1
1 527 . 1 1 1 A 54 54 LEU HA H 54 4.513 4.329 0.184 1
1 537 . 1 1 1 A 54 54 LEU C C 54 177.516 177.071 0.445 1
1 538 . 1 1 1 A 54 54 LEU CA C 54 54.422 55.242 -0.820 1
1 539 . 1 1 1 A 54 54 LEU CB C 54 43.880 42.712 1.168 1
1 543 . 1 1 1 A 54 54 LEU N N 54 117.401 117.525 -0.124 1
1 544 . 1 1 1 A 55 55 GLY H H 55 7.941 7.810 0.131 1
1 545 . 1 1 1 A 55 55 GLY HA2 H 55 3.982 3.942 0.040 1
1 546 . 1 1 1 A 55 55 GLY HA3 H 55 4.026 3.942 0.084 1
1 547 . 1 1 1 A 55 55 GLY C C 55 174.360 174.565 -0.205 1
1 548 . 1 1 1 A 55 55 GLY CA C 55 46.728 45.566 1.162 1
1 549 . 1 1 1 A 55 55 GLY N N 55 111.061 106.334 4.727 1
1 550 . 1 1 1 A 56 56 LEU H H 56 8.190 7.807 0.383 1
1 551 . 1 1 1 A 56 56 LEU HA H 56 4.803 4.721 0.082 1
1 561 . 1 1 1 A 56 56 LEU C C 56 175.914 175.925 -0.011 1
1 562 . 1 1 1 A 56 56 LEU CA C 56 52.510 53.775 -1.265 1
1 563 . 1 1 1 A 56 56 LEU CB C 56 47.484 42.811 4.673 1
1 567 . 1 1 1 A 56 56 LEU N N 56 119.967 122.110 -2.143 1
1 568 . 1 1 1 A 57 57 SER H H 57 9.037 8.993 0.044 1
1 569 . 1 1 1 A 57 57 SER HA H 57 4.423 4.717 -0.294 1
1 572 . 1 1 1 A 57 57 SER C C 57 176.618 175.434 1.184 1
1 573 . 1 1 1 A 57 57 SER CA C 57 56.189 57.986 -1.797 1
1 574 . 1 1 1 A 57 57 SER CB C 57 65.579 64.300 1.279 1
1 575 . 1 1 1 A 57 57 SER N N 57 115.098 117.325 -2.227 1
1 576 . 1 1 1 A 58 58 GLN HA H 58 3.741 3.975 -0.234 1
1 583 . 1 1 1 A 58 58 GLN C C 58 177.904 178.150 -0.246 1
1 584 . 1 1 1 A 58 58 GLN CA C 58 60.504 59.266 1.238 1
1 585 . 1 1 1 A 58 58 GLN CB C 58 28.365 28.405 -0.040 1
1 588 . 1 1 1 A 59 59 LEU H H 59 8.207 8.172 0.035 1
1 589 . 1 1 1 A 59 59 LEU HA H 59 4.192 4.099 0.093 1
1 599 . 1 1 1 A 59 59 LEU C C 59 179.871 178.649 1.222 1
1 600 . 1 1 1 A 59 59 LEU CA C 59 57.878 57.830 0.048 1
1 601 . 1 1 1 A 59 59 LEU CB C 59 41.747 41.523 0.224 1
1 605 . 1 1 1 A 59 59 LEU N N 59 120.246 121.736 -1.490 1
1 606 . 1 1 1 A 60 60 GLN H H 60 8.125 8.605 -0.480 1
1 607 . 1 1 1 A 60 60 GLN HA H 60 4.214 4.192 0.022 1
1 614 . 1 1 1 A 60 60 GLN C C 60 179.434 178.709 0.725 1
1 615 . 1 1 1 A 60 60 GLN CA C 60 59.530 58.750 0.780 1
1 616 . 1 1 1 A 60 60 GLN CB C 60 29.651 28.704 0.947 1
1 618 . 1 1 1 A 60 60 GLN N N 60 120.637 118.173 2.464 1
1 620 . 1 1 1 A 61 61 VAL H H 61 7.717 8.116 -0.399 1
1 621 . 1 1 1 A 61 61 VAL HA H 61 3.673 3.787 -0.114 1
1 629 . 1 1 1 A 61 61 VAL C C 61 176.982 177.950 -0.968 1
1 630 . 1 1 1 A 61 61 VAL CA C 61 67.670 67.080 0.590 1
1 631 . 1 1 1 A 61 61 VAL CB C 61 31.899 31.525 0.374 1
1 634 . 1 1 1 A 61 61 VAL N N 61 118.389 120.237 -1.848 1
1 635 . 1 1 1 A 62 62 LYS H H 62 8.578 7.951 0.627 1
1 636 . 1 1 1 A 62 62 LYS HA H 62 4.423 4.002 0.421 1
1 644 . 1 1 1 A 62 62 LYS C C 62 179.749 178.809 0.940 1
1 645 . 1 1 1 A 62 62 LYS CA C 62 59.821 59.971 -0.150 1
1 646 . 1 1 1 A 62 62 LYS CB C 62 33.793 32.559 1.234 1
1 650 . 1 1 1 A 62 62 LYS N N 62 120.540 120.572 -0.032 1
1 651 . 1 1 1 A 63 63 THR H H 63 8.722 8.646 0.076 1
1 652 . 1 1 1 A 63 63 THR HA H 63 4.007 3.983 0.024 1
1 657 . 1 1 1 A 63 63 THR C C 63 176.059 176.736 -0.677 1
1 658 . 1 1 1 A 63 63 THR CA C 63 66.527 67.026 -0.499 1
1 659 . 1 1 1 A 63 63 THR CB C 63 69.236 68.759 0.477 1
1 661 . 1 1 1 A 63 63 THR N N 63 115.962 114.464 1.498 1
1 662 . 1 1 1 A 64 64 TRP H H 64 8.506 8.753 -0.247 1
1 663 . 1 1 1 A 64 64 TRP HA H 64 4.064 4.247 -0.183 1
1 672 . 1 1 1 A 64 64 TRP C C 64 179.264 178.131 1.133 1
1 673 . 1 1 1 A 64 64 TRP CA C 64 63.070 61.184 1.886 1
1 674 . 1 1 1 A 64 64 TRP CB C 64 29.048 29.677 -0.629 1
1 680 . 1 1 1 A 64 64 TRP N N 64 123.609 121.051 2.558 1
1 682 . 1 1 1 A 65 65 TYR H H 65 9.152 8.872 0.280 1
1 683 . 1 1 1 A 65 65 TYR HA H 65 3.660 4.464 -0.804 1
1 690 . 1 1 1 A 65 65 TYR C C 65 178.535 178.480 0.055 1
1 691 . 1 1 1 A 65 65 TYR CA C 65 63.749 61.576 2.173 1
1 692 . 1 1 1 A 65 65 TYR CB C 65 39.082 38.673 0.409 1
1 697 . 1 1 1 A 65 65 TYR N N 65 121.400 118.707 2.693 1
1 698 . 1 1 1 A 66 66 GLN H H 66 7.981 8.323 -0.342 1
1 699 . 1 1 1 A 66 66 GLN HA H 66 4.036 4.062 -0.026 1
1 706 . 1 1 1 A 66 66 GLN C C 66 179.045 178.624 0.421 1
1 707 . 1 1 1 A 66 66 GLN CA C 66 59.255 59.477 -0.222 1
1 708 . 1 1 1 A 66 66 GLN CB C 66 28.207 28.387 -0.180 1
1 710 . 1 1 1 A 66 66 GLN N N 66 116.821 119.356 -2.535 1
1 712 . 1 1 1 A 67 67 ASN H H 67 7.862 8.190 -0.328 1
1 713 . 1 1 1 A 67 67 ASN HA H 67 4.367 4.463 -0.096 1
1 718 . 1 1 1 A 67 67 ASN C C 67 177.759 178.220 -0.461 1
1 719 . 1 1 1 A 67 67 ASN CA C 67 55.852 56.165 -0.313 1
1 720 . 1 1 1 A 67 67 ASN CB C 67 38.119 37.703 0.416 1
1 721 . 1 1 1 A 67 67 ASN N N 67 118.257 118.034 0.223 1
1 723 . 1 1 1 A 68 68 ARG H H 68 8.533 7.852 0.681 1
1 724 . 1 1 1 A 68 68 ARG HA H 68 3.430 3.727 -0.297 1
1 732 . 1 1 1 A 68 68 ARG C C 68 179.992 179.161 0.831 1
1 733 . 1 1 1 A 68 68 ARG CA C 68 56.391 59.517 -3.126 1
1 734 . 1 1 1 A 68 68 ARG CB C 68 27.959 29.265 -1.306 1
1 737 . 1 1 1 A 68 68 ARG N N 68 123.922 119.502 4.420 1
1 739 . 1 1 1 A 69 69 ARG H H 69 8.226 8.345 -0.119 1
1 740 . 1 1 1 A 69 69 ARG HA H 69 4.357 4.348 0.009 1
1 747 . 1 1 1 A 69 69 ARG C C 69 178.535 179.171 -0.636 1
1 748 . 1 1 1 A 69 69 ARG CA C 69 60.681 59.690 0.991 1
1 749 . 1 1 1 A 69 69 ARG CB C 69 31.938 30.330 1.608 1
1 752 . 1 1 1 A 69 69 ARG N N 69 118.839 119.480 -0.641 1
1 753 . 1 1 1 A 70 70 MET H H 70 7.480 7.853 -0.373 1
1 754 . 1 1 1 A 70 70 MET HA H 70 4.287 4.080 0.207 1
1 762 . 1 1 1 A 70 70 MET C C 70 178.098 178.438 -0.340 1
1 763 . 1 1 1 A 70 70 MET CA C 70 58.381 59.096 -0.715 1
1 764 . 1 1 1 A 70 70 MET CB C 70 32.011 32.144 -0.133 1
1 767 . 1 1 1 A 70 70 MET N N 70 118.164 119.565 -1.401 1
1 768 . 1 1 1 A 71 71 LYS H H 71 7.298 8.185 -0.887 1
1 769 . 1 1 1 A 71 71 LYS HA H 71 4.086 3.938 0.148 1
1 778 . 1 1 1 A 71 71 LYS C C 71 177.831 178.208 -0.377 1
1 779 . 1 1 1 A 71 71 LYS CA C 71 58.324 59.222 -0.898 1
1 780 . 1 1 1 A 71 71 LYS CB C 71 32.732 32.166 0.566 1
1 784 . 1 1 1 A 71 71 LYS N N 71 118.798 119.560 -0.762 1
1 785 . 1 1 1 A 72 72 TRP H H 72 7.952 8.114 -0.162 1
1 786 . 1 1 1 A 72 72 TRP HA H 72 4.721 4.251 0.470 1
1 795 . 1 1 1 A 72 72 TRP C C 72 177.152 176.874 0.278 1
1 796 . 1 1 1 A 72 72 TRP CA C 72 58.506 60.859 -2.353 1
1 797 . 1 1 1 A 72 72 TRP CB C 72 29.602 29.433 0.169 1
1 803 . 1 1 1 A 72 72 TRP N N 72 121.455 121.608 -0.153 1
1 805 . 1 1 1 A 73 73 LYS H H 73 8.241 8.088 0.153 1
1 806 . 1 1 1 A 73 73 LYS HA H 73 3.781 3.719 0.062 1
1 815 . 1 1 1 A 73 73 LYS C C 73 176.957 175.449 1.508 1
1 816 . 1 1 1 A 73 73 LYS CA C 73 57.074 55.961 1.113 1
1 817 . 1 1 1 A 73 73 LYS CB C 73 32.567 33.672 -1.105 1
1 821 . 1 1 1 A 73 73 LYS N N 73 120.065 118.702 1.363 1
1 822 . 1 1 1 A 74 74 LYS H H 74 7.705 8.242 -0.537 1
1 823 . 1 1 1 A 74 74 LYS HA H 74 4.154 4.825 -0.671 1
1 830 . 1 1 1 A 74 74 LYS C C 74 176.836 173.784 3.052 1
1 831 . 1 1 1 A 74 74 LYS CA C 74 57.028 55.663 1.365 1
1 832 . 1 1 1 A 74 74 LYS CB C 74 32.402 35.799 -3.397 1
1 836 . 1 1 1 A 74 74 LYS N N 74 120.036 122.075 -2.039 1
1 837 . 1 1 1 A 75 75 SER H H 75 7.986 8.728 -0.742 1
1 838 . 1 1 1 A 75 75 SER HA H 75 4.470 5.014 -0.544 1
1 841 . 1 1 1 A 75 75 SER C C 75 174.530 173.517 1.013 1
1 842 . 1 1 1 A 75 75 SER CA C 75 58.786 57.588 1.198 1
1 843 . 1 1 1 A 75 75 SER CB C 75 63.975 64.600 -0.625 1
1 844 . 1 1 1 A 75 75 SER N N 75 115.488 123.468 -7.980 1
1 845 . 1 1 1 A 76 76 GLY H H 76 8.040 8.842 -0.802 1
1 846 . 1 1 1 A 76 76 GLY HA2 H 76 4.076 4.477 -0.401 1
1 847 . 1 1 1 A 76 76 GLY HA3 H 76 4.099 4.479 -0.380 1
1 848 . 1 1 1 A 76 76 GLY C C 76 171.835 173.729 -1.894 1
1 849 . 1 1 1 A 76 76 GLY CA C 76 44.789 45.701 -0.912 1
1 850 . 1 1 1 A 76 76 GLY N N 76 110.454 114.851 -4.397 1
1 851 . 1 1 1 A 77 77 PRO HA H 77 4.456 4.484 -0.028 1
1 856 . 1 1 1 A 77 77 PRO CA C 77 63.323 64.676 -1.353 1
1 857 . 1 1 1 A 77 77 PRO CB C 77 32.209 32.135 0.074 1
1 860 . 1 1 1 A 79 79 SER HA H 79 4.506 4.859 -0.353 1
1 863 . 1 1 1 A 79 79 SER C C 79 173.947 173.828 0.119 1
1 864 . 1 1 1 A 79 79 SER CA C 79 58.433 56.906 1.527 1
1 865 . 1 1 1 A 79 79 SER CB C 79 63.960 64.296 -0.336 1
1 1 . 2 1 1 A 7 7 GLY HA2 H 7 4.014 4.111 -0.097 1
1 2 . 2 1 1 A 7 7 GLY HA3 H 7 4.014 4.111 -0.097 1
1 3 . 2 1 1 A 7 7 GLY C C 7 174.578 174.244 0.334 1
1 4 . 2 1 1 A 7 7 GLY CA C 7 45.445 44.740 0.705 1
1 5 . 2 1 1 A 8 8 GLY H H 8 8.219 8.454 -0.235 1
1 6 . 2 1 1 A 8 8 GLY HA2 H 8 3.959 4.005 -0.046 1
1 7 . 2 1 1 A 8 8 GLY HA3 H 8 3.959 4.005 -0.046 1
1 8 . 2 1 1 A 8 8 GLY C C 8 173.898 174.360 -0.462 1
1 9 . 2 1 1 A 8 8 GLY CA C 8 44.923 45.173 -0.250 1
1 10 . 2 1 1 A 8 8 GLY N N 8 108.655 112.821 -4.166 1
1 11 . 2 1 1 A 9 9 GLU H H 9 8.378 7.950 0.428 1
1 12 . 2 1 1 A 9 9 GLU HA H 9 4.586 4.340 0.246 1
1 16 . 2 1 1 A 9 9 GLU C C 9 175.015 175.380 -0.365 1
1 17 . 2 1 1 A 9 9 GLU CA C 9 54.661 55.546 -0.885 1
1 18 . 2 1 1 A 9 9 GLU CB C 9 29.534 29.797 -0.263 1
1 20 . 2 1 1 A 9 9 GLU N N 9 121.838 121.510 0.328 1
1 21 . 2 1 1 A 10 10 PRO HA H 10 4.428 4.632 -0.204 1
1 28 . 2 1 1 A 10 10 PRO C C 10 177.856 176.115 1.741 1
1 29 . 2 1 1 A 10 10 PRO CA C 10 63.767 62.312 1.455 1
1 30 . 2 1 1 A 10 10 PRO CB C 10 32.080 33.214 -1.134 1
1 33 . 2 1 1 A 11 11 GLY H H 11 8.556 8.637 -0.081 1
1 34 . 2 1 1 A 11 11 GLY HA2 H 11 3.997 3.944 0.053 1
1 35 . 2 1 1 A 11 11 GLY HA3 H 11 3.997 3.944 0.053 1
1 36 . 2 1 1 A 11 11 GLY C C 11 174.724 173.204 1.520 1
1 37 . 2 1 1 A 11 11 GLY CA C 11 45.529 45.756 -0.227 1
1 38 . 2 1 1 A 11 11 GLY N N 11 108.931 107.030 1.901 1
1 39 . 2 1 1 A 12 12 THR H H 12 7.973 7.862 0.111 1
1 40 . 2 1 1 A 12 12 THR HA H 12 4.306 3.962 0.344 1
1 45 . 2 1 1 A 12 12 THR C C 12 174.942 173.090 1.852 1
1 46 . 2 1 1 A 12 12 THR CA C 12 62.240 62.483 -0.243 1
1 47 . 2 1 1 A 12 12 THR CB C 12 69.882 66.860 3.022 1
1 49 . 2 1 1 A 12 12 THR N N 12 113.454 108.460 4.994 1
1 50 . 2 1 1 A 13 13 LYS H H 13 8.313 7.809 0.504 1
1 51 . 2 1 1 A 13 13 LYS HA H 13 4.281 4.534 -0.253 1
1 58 . 2 1 1 A 13 13 LYS C C 13 176.520 175.635 0.885 1
1 59 . 2 1 1 A 13 13 LYS CA C 13 56.565 56.213 0.352 1
1 60 . 2 1 1 A 13 13 LYS CB C 13 32.590 33.697 -1.107 1
1 64 . 2 1 1 A 13 13 LYS N N 13 123.479 121.673 1.806 1
1 65 . 2 1 1 A 14 14 ALA H H 14 8.192 8.686 -0.494 1
1 66 . 2 1 1 A 14 14 ALA HA H 14 4.272 4.775 -0.503 1
1 70 . 2 1 1 A 14 14 ALA C C 14 177.807 174.882 2.925 1
1 71 . 2 1 1 A 14 14 ALA CA C 14 52.581 51.036 1.545 1
1 72 . 2 1 1 A 14 14 ALA CB C 14 19.258 23.365 -4.107 1
1 73 . 2 1 1 A 14 14 ALA N N 14 124.692 126.590 -1.898 1
1 74 . 2 1 1 A 15 15 LYS H H 15 8.264 8.552 -0.288 1
1 75 . 2 1 1 A 15 15 LYS HA H 15 4.296 4.752 -0.456 1
1 81 . 2 1 1 A 15 15 LYS C C 15 176.812 175.738 1.074 1
1 82 . 2 1 1 A 15 15 LYS CA C 15 56.403 55.488 0.915 1
1 83 . 2 1 1 A 15 15 LYS CB C 15 32.979 33.746 -0.767 1
1 87 . 2 1 1 A 15 15 LYS N N 15 120.979 120.255 0.724 1
1 88 . 2 1 1 A 16 16 LYS H H 16 8.330 8.826 -0.496 1
1 89 . 2 1 1 A 16 16 LYS HA H 16 4.289 4.620 -0.331 1
1 93 . 2 1 1 A 16 16 LYS C C 16 177.103 177.041 0.062 1
1 94 . 2 1 1 A 16 16 LYS CB C 16 33.072 34.919 -1.847 1
1 98 . 2 1 1 A 16 16 LYS N N 16 122.581 123.839 -1.258 1
1 99 . 2 1 1 A 22 22 THR HA H 22 4.294 4.819 -0.525 1
1 104 . 2 1 1 A 22 22 THR C C 22 174.020 173.614 0.406 1
1 105 . 2 1 1 A 22 22 THR CA C 22 61.928 59.775 2.153 1
1 106 . 2 1 1 A 22 22 THR CB C 22 69.730 72.235 -2.505 1
1 108 . 2 1 1 A 23 23 VAL H H 23 8.087 8.435 -0.348 1
1 109 . 2 1 1 A 23 23 VAL HA H 23 4.112 4.256 -0.144 1
1 117 . 2 1 1 A 23 23 VAL C C 23 175.646 174.745 0.901 1
1 118 . 2 1 1 A 23 23 VAL CA C 23 62.011 61.036 0.975 1
1 119 . 2 1 1 A 23 23 VAL CB C 23 33.060 31.441 1.619 1
1 122 . 2 1 1 A 23 23 VAL N N 23 123.252 122.335 0.917 1
1 123 . 2 1 1 A 24 24 PHE H H 24 8.220 7.590 0.630 1
1 124 . 2 1 1 A 24 24 PHE HA H 24 4.976 5.291 -0.315 1
1 132 . 2 1 1 A 24 24 PHE C C 24 176.739 175.993 0.746 1
1 133 . 2 1 1 A 24 24 PHE CA C 24 56.389 56.661 -0.272 1
1 134 . 2 1 1 A 24 24 PHE CB C 24 40.492 40.813 -0.321 1
1 140 . 2 1 1 A 24 24 PHE N N 24 123.332 122.843 0.489 1
1 141 . 2 1 1 A 25 25 THR H H 25 9.003 8.914 0.089 1
1 142 . 2 1 1 A 25 25 THR HA H 25 4.470 4.750 -0.280 1
1 147 . 2 1 1 A 25 25 THR C C 25 175.209 176.193 -0.984 1
1 148 . 2 1 1 A 25 25 THR CA C 25 60.598 60.606 -0.008 1
1 149 . 2 1 1 A 25 25 THR CB C 25 70.801 71.113 -0.312 1
1 151 . 2 1 1 A 25 25 THR N N 25 113.078 114.352 -1.274 1
1 152 . 2 1 1 A 26 26 GLU H H 26 8.991 8.988 0.003 1
1 153 . 2 1 1 A 26 26 GLU HA H 26 4.036 3.967 0.069 1
1 158 . 2 1 1 A 26 26 GLU C C 26 179.118 178.732 0.386 1
1 159 . 2 1 1 A 26 26 GLU CA C 26 60.222 59.886 0.336 1
1 160 . 2 1 1 A 26 26 GLU CB C 26 29.271 29.421 -0.150 1
1 162 . 2 1 1 A 26 26 GLU N N 26 120.978 121.942 -0.964 1
1 163 . 2 1 1 A 27 27 LEU H H 27 8.120 8.179 -0.059 1
1 164 . 2 1 1 A 27 27 LEU HA H 27 4.117 4.003 0.114 1
1 174 . 2 1 1 A 27 27 LEU C C 27 180.623 178.534 2.089 1
1 175 . 2 1 1 A 27 27 LEU CA C 27 58.187 58.419 -0.232 1
1 176 . 2 1 1 A 27 27 LEU CB C 27 42.220 41.812 0.408 1
1 180 . 2 1 1 A 27 27 LEU N N 27 118.897 121.742 -2.845 1
1 181 . 2 1 1 A 28 28 GLN H H 28 7.733 7.742 -0.009 1
1 182 . 2 1 1 A 28 28 GLN HA H 28 3.864 3.863 0.001 1
1 189 . 2 1 1 A 28 28 GLN C C 28 177.492 178.832 -1.340 1
1 190 . 2 1 1 A 28 28 GLN CA C 28 59.212 58.603 0.609 1
1 191 . 2 1 1 A 28 28 GLN CB C 28 27.740 28.045 -0.305 1
1 193 . 2 1 1 A 28 28 GLN N N 28 119.947 117.589 2.358 1
1 195 . 2 1 1 A 29 29 LEU H H 29 8.336 8.506 -0.170 1
1 196 . 2 1 1 A 29 29 LEU HA H 29 3.665 3.683 -0.018 1
1 206 . 2 1 1 A 29 29 LEU C C 29 179.118 178.609 0.509 1
1 207 . 2 1 1 A 29 29 LEU CA C 29 58.068 57.812 0.256 1
1 208 . 2 1 1 A 29 29 LEU CB C 29 41.582 41.505 0.077 1
1 212 . 2 1 1 A 29 29 LEU N N 29 118.154 120.254 -2.100 1
1 213 . 2 1 1 A 30 30 MET H H 30 8.282 8.548 -0.266 1
1 214 . 2 1 1 A 30 30 MET HA H 30 4.118 4.029 0.089 1
1 222 . 2 1 1 A 30 30 MET C C 30 179.070 178.794 0.276 1
1 223 . 2 1 1 A 30 30 MET CA C 30 58.583 58.647 -0.064 1
1 224 . 2 1 1 A 30 30 MET CB C 30 32.665 32.273 0.392 1
1 227 . 2 1 1 A 30 30 MET N N 30 117.314 118.701 -1.387 1
1 228 . 2 1 1 A 31 31 GLY H H 31 7.904 8.102 -0.198 1
1 229 . 2 1 1 A 31 31 GLY HA2 H 31 3.787 3.591 0.196 1
1 230 . 2 1 1 A 31 31 GLY HA3 H 31 3.631 3.624 0.007 1
1 231 . 2 1 1 A 31 31 GLY C C 31 176.618 175.471 1.147 1
1 232 . 2 1 1 A 31 31 GLY CA C 31 47.231 47.281 -0.050 1
1 233 . 2 1 1 A 31 31 GLY N N 31 107.053 106.945 0.108 1
1 234 . 2 1 1 A 32 32 LEU H H 32 7.982 7.992 -0.010 1
1 235 . 2 1 1 A 32 32 LEU HA H 32 3.577 3.819 -0.242 1
1 245 . 2 1 1 A 32 32 LEU C C 32 177.564 179.400 -1.836 1
1 246 . 2 1 1 A 32 32 LEU CA C 32 58.318 57.548 0.770 1
1 247 . 2 1 1 A 32 32 LEU CB C 32 38.280 40.455 -2.175 1
1 251 . 2 1 1 A 32 32 LEU N N 32 125.323 123.132 2.191 1
1 252 . 2 1 1 A 33 33 GLU H H 33 8.054 8.061 -0.007 1
1 253 . 2 1 1 A 33 33 GLU HA H 33 4.283 4.175 0.108 1
1 258 . 2 1 1 A 33 33 GLU C C 33 180.041 179.570 0.471 1
1 259 . 2 1 1 A 33 33 GLU CA C 33 59.157 59.767 -0.610 1
1 260 . 2 1 1 A 33 33 GLU CB C 33 29.155 29.251 -0.096 1
1 262 . 2 1 1 A 33 33 GLU N N 33 118.448 117.788 0.660 1
1 263 . 2 1 1 A 34 34 LYS H H 34 8.229 7.802 0.427 1
1 264 . 2 1 1 A 34 34 LYS HA H 34 4.099 4.018 0.081 1
1 271 . 2 1 1 A 34 34 LYS C C 34 179.822 179.121 0.701 1
1 272 . 2 1 1 A 34 34 LYS CA C 34 58.789 59.816 -1.027 1
1 273 . 2 1 1 A 34 34 LYS CB C 34 32.073 32.323 -0.250 1
1 277 . 2 1 1 A 34 34 LYS N N 34 118.230 121.399 -3.169 1
1 278 . 2 1 1 A 35 35 ARG H H 35 7.560 7.938 -0.378 1
1 279 . 2 1 1 A 35 35 ARG HA H 35 4.190 4.072 0.118 1
1 286 . 2 1 1 A 35 35 ARG C C 35 178.001 179.116 -1.115 1
1 287 . 2 1 1 A 35 35 ARG CA C 35 57.095 59.687 -2.592 1
1 288 . 2 1 1 A 35 35 ARG CB C 35 28.882 29.977 -1.095 1
1 291 . 2 1 1 A 35 35 ARG N N 35 120.162 118.847 1.315 1
1 292 . 2 1 1 A 36 36 PHE H H 36 8.810 8.222 0.588 1
1 293 . 2 1 1 A 36 36 PHE HA H 36 4.227 4.026 0.201 1
1 301 . 2 1 1 A 36 36 PHE C C 36 176.520 177.806 -1.286 1
1 302 . 2 1 1 A 36 36 PHE CA C 36 60.886 61.161 -0.275 1
1 303 . 2 1 1 A 36 36 PHE CB C 36 39.333 38.916 0.417 1
1 309 . 2 1 1 A 36 36 PHE N N 36 122.860 120.975 1.885 1
1 310 . 2 1 1 A 37 37 GLU H H 37 7.772 8.555 -0.783 1
1 311 . 2 1 1 A 37 37 GLU HA H 37 3.701 3.918 -0.217 1
1 316 . 2 1 1 A 37 37 GLU C C 37 177.297 179.157 -1.860 1
1 317 . 2 1 1 A 37 37 GLU CA C 37 59.036 59.760 -0.724 1
1 318 . 2 1 1 A 37 37 GLU CB C 37 29.981 29.134 0.847 1
1 320 . 2 1 1 A 37 37 GLU N N 37 116.313 117.681 -1.368 1
1 321 . 2 1 1 A 38 38 LYS H H 38 7.005 7.875 -0.870 1
1 322 . 2 1 1 A 38 38 LYS HA H 38 4.280 4.079 0.201 1
1 329 . 2 1 1 A 38 38 LYS C C 38 177.079 177.068 0.011 1
1 330 . 2 1 1 A 38 38 LYS CA C 38 56.741 59.186 -2.445 1
1 331 . 2 1 1 A 38 38 LYS CB C 38 34.301 32.700 1.601 1
1 335 . 2 1 1 A 38 38 LYS N N 38 114.632 119.766 -5.134 1
1 336 . 2 1 1 A 39 39 GLN H H 39 8.641 8.192 0.449 1
1 337 . 2 1 1 A 39 39 GLN HA H 39 4.509 4.377 0.132 1
1 344 . 2 1 1 A 39 39 GLN C C 39 173.340 175.362 -2.022 1
1 345 . 2 1 1 A 39 39 GLN CA C 39 55.527 54.381 1.146 1
1 346 . 2 1 1 A 39 39 GLN CB C 39 31.827 29.056 2.771 1
1 348 . 2 1 1 A 39 39 GLN N N 39 120.830 118.114 2.716 1
1 350 . 2 1 1 A 40 40 LYS H H 40 8.474 8.233 0.241 1
1 351 . 2 1 1 A 40 40 LYS HA H 40 3.598 3.212 0.386 1
1 360 . 2 1 1 A 40 40 LYS C C 40 174.530 175.333 -0.803 1
1 361 . 2 1 1 A 40 40 LYS CA C 40 56.459 58.278 -1.819 1
1 362 . 2 1 1 A 40 40 LYS CB C 40 32.276 31.337 0.939 1
1 366 . 2 1 1 A 40 40 LYS N N 40 125.122 125.356 -0.234 1
1 367 . 2 1 1 A 41 41 TYR H H 41 7.513 7.269 0.244 1
1 368 . 2 1 1 A 41 41 TYR HA H 41 4.537 5.152 -0.615 1
1 375 . 2 1 1 A 41 41 TYR C C 41 174.700 174.395 0.305 1
1 376 . 2 1 1 A 41 41 TYR CA C 41 56.743 56.348 0.395 1
1 377 . 2 1 1 A 41 41 TYR CB C 41 41.274 42.765 -1.491 1
1 382 . 2 1 1 A 41 41 TYR N N 41 113.703 116.263 -2.560 1
1 383 . 2 1 1 A 42 42 LEU H H 42 8.544 8.817 -0.273 1
1 384 . 2 1 1 A 42 42 LEU HA H 42 4.610 4.812 -0.202 1
1 394 . 2 1 1 A 42 42 LEU C C 42 177.273 175.322 1.951 1
1 395 . 2 1 1 A 42 42 LEU CA C 42 53.408 53.563 -0.155 1
1 396 . 2 1 1 A 42 42 LEU CB C 42 44.040 45.870 -1.830 1
1 400 . 2 1 1 A 42 42 LEU N N 42 123.003 121.056 1.947 1
1 401 . 2 1 1 A 43 43 SER H H 43 8.651 8.297 0.354 1
1 402 . 2 1 1 A 43 43 SER HA H 43 4.621 4.588 0.033 1
1 405 . 2 1 1 A 43 43 SER C C 43 174.530 175.259 -0.729 1
1 406 . 2 1 1 A 43 43 SER CA C 43 57.053 58.316 -1.263 1
1 407 . 2 1 1 A 43 43 SER CB C 43 64.786 63.922 0.864 1
1 408 . 2 1 1 A 43 43 SER N N 43 118.850 119.919 -1.069 1
1 409 . 2 1 1 A 44 44 THR H H 44 9.159 8.816 0.343 1
1 410 . 2 1 1 A 44 44 THR HA H 44 4.428 3.983 0.445 1
1 415 . 2 1 1 A 44 44 THR C C 44 175.428 173.698 1.730 1
1 416 . 2 1 1 A 44 44 THR CA C 44 66.563 67.629 -1.066 1
1 417 . 2 1 1 A 44 44 THR CB C 44 69.210 67.591 1.619 1
1 419 . 2 1 1 A 44 44 THR N N 44 117.903 120.797 -2.894 1
1 420 . 2 1 1 A 45 45 PRO HA H 45 4.188 4.330 -0.142 1
1 427 . 2 1 1 A 45 45 PRO C C 45 179.312 178.566 0.746 1
1 428 . 2 1 1 A 45 45 PRO CA C 45 66.163 65.265 0.898 1
1 429 . 2 1 1 A 45 45 PRO CB C 45 30.975 31.280 -0.305 1
1 432 . 2 1 1 A 46 46 ASP H H 46 7.289 8.147 -0.858 1
1 433 . 2 1 1 A 46 46 ASP HA H 46 4.387 4.347 0.040 1
1 436 . 2 1 1 A 46 46 ASP C C 46 178.390 178.511 -0.121 1
1 437 . 2 1 1 A 46 46 ASP CA C 46 56.974 57.373 -0.399 1
1 438 . 2 1 1 A 46 46 ASP CB C 46 41.498 40.426 1.072 1
1 439 . 2 1 1 A 46 46 ASP N N 46 117.060 118.066 -1.006 1
1 440 . 2 1 1 A 47 47 ARG H H 47 8.493 8.103 0.390 1
1 441 . 2 1 1 A 47 47 ARG HA H 47 3.754 3.953 -0.199 1
1 448 . 2 1 1 A 47 47 ARG C C 47 177.880 178.634 -0.754 1
1 449 . 2 1 1 A 47 47 ARG CA C 47 60.123 58.676 1.447 1
1 450 . 2 1 1 A 47 47 ARG CB C 47 30.355 30.012 0.343 1
1 453 . 2 1 1 A 47 47 ARG N N 47 122.143 120.013 2.130 1
1 454 . 2 1 1 A 48 48 ILE H H 48 8.219 7.437 0.782 1
1 455 . 2 1 1 A 48 48 ILE HA H 48 3.475 3.623 -0.148 1
1 465 . 2 1 1 A 48 48 ILE C C 48 178.026 177.689 0.337 1
1 466 . 2 1 1 A 48 48 ILE CA C 48 66.105 65.450 0.655 1
1 467 . 2 1 1 A 48 48 ILE CB C 48 38.440 38.265 0.175 1
1 471 . 2 1 1 A 48 48 ILE N N 48 119.888 120.506 -0.618 1
1 472 . 2 1 1 A 49 49 ASP H H 49 7.775 8.025 -0.250 1
1 473 . 2 1 1 A 49 49 ASP HA H 49 4.406 4.267 0.139 1
1 476 . 2 1 1 A 49 49 ASP C C 49 178.900 177.976 0.924 1
1 477 . 2 1 1 A 49 49 ASP CA C 49 57.380 57.442 -0.062 1
1 478 . 2 1 1 A 49 49 ASP CB C 49 41.523 41.583 -0.060 1
1 479 . 2 1 1 A 49 49 ASP N N 49 119.245 120.347 -1.102 1
1 480 . 2 1 1 A 50 50 LEU H H 50 8.344 7.953 0.391 1
1 481 . 2 1 1 A 50 50 LEU HA H 50 4.090 3.986 0.104 1
1 491 . 2 1 1 A 50 50 LEU C C 50 178.705 178.185 0.520 1
1 492 . 2 1 1 A 50 50 LEU CA C 50 57.651 58.328 -0.677 1
1 493 . 2 1 1 A 50 50 LEU CB C 50 42.526 42.009 0.517 1
1 497 . 2 1 1 A 50 50 LEU N N 50 121.649 120.410 1.239 1
1 498 . 2 1 1 A 51 51 ALA H H 51 8.513 8.257 0.256 1
1 499 . 2 1 1 A 51 51 ALA HA H 51 3.611 3.928 -0.317 1
1 503 . 2 1 1 A 51 51 ALA C C 51 179.749 179.570 0.179 1
1 504 . 2 1 1 A 51 51 ALA CA C 51 56.139 54.891 1.248 1
1 505 . 2 1 1 A 51 51 ALA CB C 51 17.519 18.316 -0.797 1
1 506 . 2 1 1 A 51 51 ALA N N 51 120.902 120.149 0.753 1
1 507 . 2 1 1 A 52 52 GLU H H 52 8.285 7.592 0.693 1
1 508 . 2 1 1 A 52 52 GLU HA H 52 4.097 4.100 -0.003 1
1 513 . 2 1 1 A 52 52 GLU C C 52 180.114 179.205 0.909 1
1 514 . 2 1 1 A 52 52 GLU CA C 52 59.307 59.110 0.197 1
1 515 . 2 1 1 A 52 52 GLU CB C 52 29.408 30.062 -0.654 1
1 517 . 2 1 1 A 52 52 GLU N N 52 116.933 117.986 -1.053 1
1 518 . 2 1 1 A 53 53 SER H H 53 8.229 8.150 0.079 1
1 519 . 2 1 1 A 53 53 SER HA H 53 4.251 4.093 0.158 1
1 522 . 2 1 1 A 53 53 SER C C 53 176.059 176.063 -0.004 1
1 523 . 2 1 1 A 53 53 SER CA C 53 61.347 62.321 -0.974 1
1 524 . 2 1 1 A 53 53 SER CB C 53 63.235 63.005 0.230 1
1 525 . 2 1 1 A 53 53 SER N N 53 114.615 117.480 -2.865 1
1 526 . 2 1 1 A 54 54 LEU H H 54 7.675 7.566 0.109 1
1 527 . 2 1 1 A 54 54 LEU HA H 54 4.513 4.211 0.302 1
1 537 . 2 1 1 A 54 54 LEU C C 54 177.516 176.982 0.534 1
1 538 . 2 1 1 A 54 54 LEU CA C 54 54.422 55.452 -1.030 1
1 539 . 2 1 1 A 54 54 LEU CB C 54 43.880 42.679 1.201 1
1 543 . 2 1 1 A 54 54 LEU N N 54 117.401 117.676 -0.275 1
1 544 . 2 1 1 A 55 55 GLY H H 55 7.941 7.748 0.193 1
1 545 . 2 1 1 A 55 55 GLY HA2 H 55 3.982 3.936 0.046 1
1 546 . 2 1 1 A 55 55 GLY HA3 H 55 4.026 3.938 0.088 1
1 547 . 2 1 1 A 55 55 GLY C C 55 174.360 174.415 -0.055 1
1 548 . 2 1 1 A 55 55 GLY CA C 55 46.728 44.891 1.837 1
1 549 . 2 1 1 A 55 55 GLY N N 55 111.061 106.127 4.934 1
1 550 . 2 1 1 A 56 56 LEU H H 56 8.190 7.824 0.366 1
1 551 . 2 1 1 A 56 56 LEU HA H 56 4.803 4.565 0.238 1
1 561 . 2 1 1 A 56 56 LEU C C 56 175.914 176.069 -0.155 1
1 562 . 2 1 1 A 56 56 LEU CA C 56 52.510 54.437 -1.927 1
1 563 . 2 1 1 A 56 56 LEU CB C 56 47.484 42.516 4.968 1
1 567 . 2 1 1 A 56 56 LEU N N 56 119.967 122.409 -2.442 1
1 568 . 2 1 1 A 57 57 SER H H 57 9.037 9.061 -0.024 1
1 569 . 2 1 1 A 57 57 SER HA H 57 4.423 4.776 -0.353 1
1 572 . 2 1 1 A 57 57 SER C C 57 176.618 175.292 1.326 1
1 573 . 2 1 1 A 57 57 SER CA C 57 56.189 57.644 -1.455 1
1 574 . 2 1 1 A 57 57 SER CB C 57 65.579 64.781 0.798 1
1 575 . 2 1 1 A 57 57 SER N N 57 115.098 117.493 -2.395 1
1 576 . 2 1 1 A 58 58 GLN HA H 58 3.741 3.931 -0.190 1
1 583 . 2 1 1 A 58 58 GLN C C 58 177.904 178.159 -0.255 1
1 584 . 2 1 1 A 58 58 GLN CA C 58 60.504 59.258 1.246 1
1 585 . 2 1 1 A 58 58 GLN CB C 58 28.365 28.357 0.008 1
1 588 . 2 1 1 A 59 59 LEU H H 59 8.207 8.173 0.034 1
1 589 . 2 1 1 A 59 59 LEU HA H 59 4.192 4.111 0.081 1
1 599 . 2 1 1 A 59 59 LEU C C 59 179.871 178.658 1.213 1
1 600 . 2 1 1 A 59 59 LEU CA C 59 57.878 57.836 0.042 1
1 601 . 2 1 1 A 59 59 LEU CB C 59 41.747 41.530 0.217 1
1 605 . 2 1 1 A 59 59 LEU N N 59 120.246 121.735 -1.489 1
1 606 . 2 1 1 A 60 60 GLN H H 60 8.125 8.551 -0.426 1
1 607 . 2 1 1 A 60 60 GLN HA H 60 4.214 4.203 0.011 1
1 614 . 2 1 1 A 60 60 GLN C C 60 179.434 178.690 0.744 1
1 615 . 2 1 1 A 60 60 GLN CA C 60 59.530 58.707 0.823 1
1 616 . 2 1 1 A 60 60 GLN CB C 60 29.651 28.597 1.054 1
1 618 . 2 1 1 A 60 60 GLN N N 60 120.637 118.235 2.402 1
1 620 . 2 1 1 A 61 61 VAL H H 61 7.717 8.116 -0.399 1
1 621 . 2 1 1 A 61 61 VAL HA H 61 3.673 3.827 -0.154 1
1 629 . 2 1 1 A 61 61 VAL C C 61 176.982 177.958 -0.976 1
1 630 . 2 1 1 A 61 61 VAL CA C 61 67.670 67.123 0.547 1
1 631 . 2 1 1 A 61 61 VAL CB C 61 31.899 31.494 0.405 1
1 634 . 2 1 1 A 61 61 VAL N N 61 118.389 120.129 -1.740 1
1 635 . 2 1 1 A 62 62 LYS H H 62 8.578 8.083 0.495 1
1 636 . 2 1 1 A 62 62 LYS HA H 62 4.423 4.077 0.346 1
1 644 . 2 1 1 A 62 62 LYS C C 62 179.749 179.007 0.742 1
1 645 . 2 1 1 A 62 62 LYS CA C 62 59.821 59.892 -0.071 1
1 646 . 2 1 1 A 62 62 LYS CB C 62 33.793 32.492 1.301 1
1 650 . 2 1 1 A 62 62 LYS N N 62 120.540 120.407 0.133 1
1 651 . 2 1 1 A 63 63 THR H H 63 8.722 8.608 0.114 1
1 652 . 2 1 1 A 63 63 THR HA H 63 4.007 4.010 -0.003 1
1 657 . 2 1 1 A 63 63 THR C C 63 176.059 176.732 -0.673 1
1 658 . 2 1 1 A 63 63 THR CA C 63 66.527 67.120 -0.593 1
1 659 . 2 1 1 A 63 63 THR CB C 63 69.236 68.652 0.584 1
1 661 . 2 1 1 A 63 63 THR N N 63 115.962 114.589 1.373 1
1 662 . 2 1 1 A 64 64 TRP H H 64 8.506 8.793 -0.287 1
1 663 . 2 1 1 A 64 64 TRP HA H 64 4.064 4.303 -0.239 1
1 672 . 2 1 1 A 64 64 TRP C C 64 179.264 178.151 1.113 1
1 673 . 2 1 1 A 64 64 TRP CA C 64 63.070 61.239 1.831 1
1 674 . 2 1 1 A 64 64 TRP CB C 64 29.048 29.809 -0.761 1
1 680 . 2 1 1 A 64 64 TRP N N 64 123.609 121.205 2.404 1
1 682 . 2 1 1 A 65 65 TYR H H 65 9.152 8.989 0.163 1
1 683 . 2 1 1 A 65 65 TYR HA H 65 3.660 4.501 -0.841 1
1 690 . 2 1 1 A 65 65 TYR C C 65 178.535 178.558 -0.023 1
1 691 . 2 1 1 A 65 65 TYR CA C 65 63.749 61.599 2.150 1
1 692 . 2 1 1 A 65 65 TYR CB C 65 39.082 38.748 0.334 1
1 697 . 2 1 1 A 65 65 TYR N N 65 121.400 118.730 2.670 1
1 698 . 2 1 1 A 66 66 GLN H H 66 7.981 8.417 -0.436 1
1 699 . 2 1 1 A 66 66 GLN HA H 66 4.036 4.097 -0.061 1
1 706 . 2 1 1 A 66 66 GLN C C 66 179.045 178.777 0.268 1
1 707 . 2 1 1 A 66 66 GLN CA C 66 59.255 59.393 -0.138 1
1 708 . 2 1 1 A 66 66 GLN CB C 66 28.207 28.562 -0.355 1
1 710 . 2 1 1 A 66 66 GLN N N 66 116.821 119.301 -2.480 1
1 712 . 2 1 1 A 67 67 ASN H H 67 7.862 8.166 -0.304 1
1 713 . 2 1 1 A 67 67 ASN HA H 67 4.367 4.449 -0.082 1
1 718 . 2 1 1 A 67 67 ASN C C 67 177.759 177.995 -0.236 1
1 719 . 2 1 1 A 67 67 ASN CA C 67 55.852 56.535 -0.683 1
1 720 . 2 1 1 A 67 67 ASN CB C 67 38.119 38.174 -0.055 1
1 721 . 2 1 1 A 67 67 ASN N N 67 118.257 118.052 0.205 1
1 723 . 2 1 1 A 68 68 ARG H H 68 8.533 8.096 0.437 1
1 724 . 2 1 1 A 68 68 ARG HA H 68 3.430 3.676 -0.246 1
1 732 . 2 1 1 A 68 68 ARG C C 68 179.992 179.003 0.989 1
1 733 . 2 1 1 A 68 68 ARG CA C 68 56.391 59.580 -3.189 1
1 734 . 2 1 1 A 68 68 ARG CB C 68 27.959 29.168 -1.209 1
1 737 . 2 1 1 A 68 68 ARG N N 68 123.922 118.395 5.527 1
1 739 . 2 1 1 A 69 69 ARG H H 69 8.226 8.301 -0.075 1
1 740 . 2 1 1 A 69 69 ARG HA H 69 4.357 4.561 -0.204 1
1 747 . 2 1 1 A 69 69 ARG C C 69 178.535 179.506 -0.971 1
1 748 . 2 1 1 A 69 69 ARG CA C 69 60.681 59.757 0.924 1
1 749 . 2 1 1 A 69 69 ARG CB C 69 31.938 30.694 1.244 1
1 752 . 2 1 1 A 69 69 ARG N N 69 118.839 119.261 -0.422 1
1 753 . 2 1 1 A 70 70 MET H H 70 7.480 8.150 -0.670 1
1 754 . 2 1 1 A 70 70 MET HA H 70 4.287 4.164 0.123 1
1 762 . 2 1 1 A 70 70 MET C C 70 178.098 178.216 -0.118 1
1 763 . 2 1 1 A 70 70 MET CA C 70 58.381 59.608 -1.227 1
1 764 . 2 1 1 A 70 70 MET CB C 70 32.011 32.602 -0.591 1
1 767 . 2 1 1 A 70 70 MET N N 70 118.164 119.896 -1.732 1
1 768 . 2 1 1 A 71 71 LYS H H 71 7.298 7.784 -0.486 1
1 769 . 2 1 1 A 71 71 LYS HA H 71 4.086 4.058 0.028 1
1 778 . 2 1 1 A 71 71 LYS C C 71 177.831 178.703 -0.872 1
1 779 . 2 1 1 A 71 71 LYS CA C 71 58.324 58.719 -0.395 1
1 780 . 2 1 1 A 71 71 LYS CB C 71 32.732 32.094 0.638 1
1 784 . 2 1 1 A 71 71 LYS N N 71 118.798 119.536 -0.738 1
1 785 . 2 1 1 A 72 72 TRP H H 72 7.952 7.917 0.035 1
1 786 . 2 1 1 A 72 72 TRP HA H 72 4.721 4.340 0.381 1
1 795 . 2 1 1 A 72 72 TRP C C 72 177.152 176.598 0.554 1
1 796 . 2 1 1 A 72 72 TRP CA C 72 58.506 59.431 -0.925 1
1 797 . 2 1 1 A 72 72 TRP CB C 72 29.602 30.107 -0.505 1
1 803 . 2 1 1 A 72 72 TRP N N 72 121.455 121.977 -0.522 1
1 805 . 2 1 1 A 73 73 LYS H H 73 8.241 7.579 0.662 1
1 806 . 2 1 1 A 73 73 LYS HA H 73 3.781 3.750 0.031 1
1 815 . 2 1 1 A 73 73 LYS C C 73 176.957 176.400 0.557 1
1 816 . 2 1 1 A 73 73 LYS CA C 73 57.074 55.229 1.845 1
1 817 . 2 1 1 A 73 73 LYS CB C 73 32.567 31.765 0.802 1
1 821 . 2 1 1 A 73 73 LYS N N 73 120.065 118.379 1.686 1
1 822 . 2 1 1 A 74 74 LYS H H 74 7.705 8.646 -0.941 1
1 823 . 2 1 1 A 74 74 LYS HA H 74 4.154 3.709 0.445 1
1 830 . 2 1 1 A 74 74 LYS C C 74 176.836 174.918 1.918 1
1 831 . 2 1 1 A 74 74 LYS CA C 74 57.028 57.075 -0.047 1
1 832 . 2 1 1 A 74 74 LYS CB C 74 32.402 30.035 2.367 1
1 836 . 2 1 1 A 74 74 LYS N N 74 120.036 122.048 -2.012 1
1 837 . 2 1 1 A 75 75 SER H H 75 7.986 7.741 0.245 1
1 838 . 2 1 1 A 75 75 SER HA H 75 4.470 4.725 -0.255 1
1 841 . 2 1 1 A 75 75 SER C C 75 174.530 173.232 1.298 1
1 842 . 2 1 1 A 75 75 SER CA C 75 58.786 56.517 2.269 1
1 843 . 2 1 1 A 75 75 SER CB C 75 63.975 64.773 -0.798 1
1 844 . 2 1 1 A 75 75 SER N N 75 115.488 113.330 2.158 1
1 845 . 2 1 1 A 76 76 GLY H H 76 8.040 8.197 -0.157 1
1 846 . 2 1 1 A 76 76 GLY HA2 H 76 4.076 4.172 -0.096 1
1 847 . 2 1 1 A 76 76 GLY HA3 H 76 4.099 4.173 -0.074 1
1 848 . 2 1 1 A 76 76 GLY C C 76 171.835 172.751 -0.916 1
1 849 . 2 1 1 A 76 76 GLY CA C 76 44.789 46.116 -1.327 1
1 850 . 2 1 1 A 76 76 GLY N N 76 110.454 109.974 0.480 1
1 851 . 2 1 1 A 77 77 PRO HA H 77 4.456 4.556 -0.100 1
1 856 . 2 1 1 A 77 77 PRO CA C 77 63.323 62.635 0.688 1
1 857 . 2 1 1 A 77 77 PRO CB C 77 32.209 32.860 -0.651 1
1 860 . 2 1 1 A 79 79 SER HA H 79 4.506 4.514 -0.008 1
1 863 . 2 1 1 A 79 79 SER C C 79 173.947 174.410 -0.463 1
1 864 . 2 1 1 A 79 79 SER CA C 79 58.433 57.952 0.481 1
1 865 . 2 1 1 A 79 79 SER CB C 79 63.960 64.258 -0.298 1
1 1 . 3 1 1 A 7 7 GLY HA2 H 7 4.014 4.359 -0.345 1
1 2 . 3 1 1 A 7 7 GLY HA3 H 7 4.014 4.359 -0.345 1
1 3 . 3 1 1 A 7 7 GLY C C 7 174.578 172.264 2.314 1
1 4 . 3 1 1 A 7 7 GLY CA C 7 45.445 45.831 -0.386 1
1 5 . 3 1 1 A 8 8 GLY H H 8 8.219 8.263 -0.044 1
1 6 . 3 1 1 A 8 8 GLY HA2 H 8 3.959 4.275 -0.316 1
1 7 . 3 1 1 A 8 8 GLY HA3 H 8 3.959 4.275 -0.316 1
1 8 . 3 1 1 A 8 8 GLY C C 8 173.898 171.211 2.687 1
1 9 . 3 1 1 A 8 8 GLY CA C 8 44.923 45.724 -0.801 1
1 10 . 3 1 1 A 8 8 GLY N N 8 108.655 109.117 -0.462 1
1 11 . 3 1 1 A 9 9 GLU H H 9 8.378 8.847 -0.469 1
1 12 . 3 1 1 A 9 9 GLU HA H 9 4.586 4.876 -0.290 1
1 16 . 3 1 1 A 9 9 GLU C C 9 175.015 173.923 1.092 1
1 17 . 3 1 1 A 9 9 GLU CA C 9 54.661 54.503 0.158 1
1 18 . 3 1 1 A 9 9 GLU CB C 9 29.534 32.281 -2.747 1
1 20 . 3 1 1 A 9 9 GLU N N 9 121.838 116.379 5.459 1
1 21 . 3 1 1 A 10 10 PRO HA H 10 4.428 4.540 -0.112 1
1 28 . 3 1 1 A 10 10 PRO C C 10 177.856 175.869 1.987 1
1 29 . 3 1 1 A 10 10 PRO CA C 10 63.767 62.777 0.990 1
1 30 . 3 1 1 A 10 10 PRO CB C 10 32.080 33.163 -1.083 1
1 33 . 3 1 1 A 11 11 GLY H H 11 8.556 8.100 0.456 1
1 34 . 3 1 1 A 11 11 GLY HA2 H 11 3.997 4.198 -0.201 1
1 35 . 3 1 1 A 11 11 GLY HA3 H 11 3.997 4.198 -0.201 1
1 36 . 3 1 1 A 11 11 GLY C C 11 174.724 171.124 3.600 1
1 37 . 3 1 1 A 11 11 GLY CA C 11 45.529 45.521 0.008 1
1 38 . 3 1 1 A 11 11 GLY N N 11 108.931 106.782 2.149 1
1 39 . 3 1 1 A 12 12 THR H H 12 7.973 8.361 -0.388 1
1 40 . 3 1 1 A 12 12 THR HA H 12 4.306 5.168 -0.862 1
1 45 . 3 1 1 A 12 12 THR C C 12 174.942 171.994 2.948 1
1 46 . 3 1 1 A 12 12 THR CA C 12 62.240 60.416 1.824 1
1 47 . 3 1 1 A 12 12 THR CB C 12 69.882 71.662 -1.780 1
1 49 . 3 1 1 A 12 12 THR N N 12 113.454 113.264 0.190 1
1 50 . 3 1 1 A 13 13 LYS H H 13 8.313 8.599 -0.286 1
1 51 . 3 1 1 A 13 13 LYS HA H 13 4.281 4.928 -0.647 1
1 58 . 3 1 1 A 13 13 LYS C C 13 176.520 175.820 0.700 1
1 59 . 3 1 1 A 13 13 LYS CA C 13 56.565 55.419 1.146 1
1 60 . 3 1 1 A 13 13 LYS CB C 13 32.590 35.480 -2.890 1
1 64 . 3 1 1 A 13 13 LYS N N 13 123.479 124.789 -1.310 1
1 65 . 3 1 1 A 14 14 ALA H H 14 8.192 8.877 -0.685 1
1 66 . 3 1 1 A 14 14 ALA HA H 14 4.272 4.184 0.088 1
1 70 . 3 1 1 A 14 14 ALA C C 14 177.807 178.287 -0.480 1
1 71 . 3 1 1 A 14 14 ALA CA C 14 52.581 55.273 -2.692 1
1 72 . 3 1 1 A 14 14 ALA CB C 14 19.258 18.927 0.331 1
1 73 . 3 1 1 A 14 14 ALA N N 14 124.692 124.054 0.638 1
1 74 . 3 1 1 A 15 15 LYS H H 15 8.264 7.826 0.438 1
1 75 . 3 1 1 A 15 15 LYS HA H 15 4.296 4.283 0.013 1
1 81 . 3 1 1 A 15 15 LYS C C 15 176.812 175.975 0.837 1
1 82 . 3 1 1 A 15 15 LYS CA C 15 56.403 56.022 0.381 1
1 83 . 3 1 1 A 15 15 LYS CB C 15 32.979 32.886 0.093 1
1 87 . 3 1 1 A 15 15 LYS N N 15 120.979 117.093 3.886 1
1 88 . 3 1 1 A 16 16 LYS H H 16 8.330 8.709 -0.379 1
1 89 . 3 1 1 A 16 16 LYS HA H 16 4.289 4.531 -0.242 1
1 93 . 3 1 1 A 16 16 LYS C C 16 177.103 176.683 0.420 1
1 94 . 3 1 1 A 16 16 LYS CB C 16 33.072 33.928 -0.856 1
1 98 . 3 1 1 A 16 16 LYS N N 16 122.581 125.039 -2.458 1
1 99 . 3 1 1 A 22 22 THR HA H 22 4.294 5.470 -1.176 1
1 104 . 3 1 1 A 22 22 THR C C 22 174.020 174.885 -0.865 1
1 105 . 3 1 1 A 22 22 THR CA C 22 61.928 60.641 1.287 1
1 106 . 3 1 1 A 22 22 THR CB C 22 69.730 70.952 -1.222 1
1 108 . 3 1 1 A 23 23 VAL H H 23 8.087 8.794 -0.707 1
1 109 . 3 1 1 A 23 23 VAL HA H 23 4.112 4.320 -0.208 1
1 117 . 3 1 1 A 23 23 VAL C C 23 175.646 174.523 1.123 1
1 118 . 3 1 1 A 23 23 VAL CA C 23 62.011 61.235 0.776 1
1 119 . 3 1 1 A 23 23 VAL CB C 23 33.060 31.455 1.605 1
1 122 . 3 1 1 A 23 23 VAL N N 23 123.252 125.334 -2.082 1
1 123 . 3 1 1 A 24 24 PHE H H 24 8.220 7.759 0.461 1
1 124 . 3 1 1 A 24 24 PHE HA H 24 4.976 5.378 -0.402 1
1 132 . 3 1 1 A 24 24 PHE C C 24 176.739 175.893 0.846 1
1 133 . 3 1 1 A 24 24 PHE CA C 24 56.389 55.932 0.457 1
1 134 . 3 1 1 A 24 24 PHE CB C 24 40.492 41.537 -1.045 1
1 140 . 3 1 1 A 24 24 PHE N N 24 123.332 121.773 1.559 1
1 141 . 3 1 1 A 25 25 THR H H 25 9.003 8.858 0.145 1
1 142 . 3 1 1 A 25 25 THR HA H 25 4.470 4.735 -0.265 1
1 147 . 3 1 1 A 25 25 THR C C 25 175.209 176.238 -1.029 1
1 148 . 3 1 1 A 25 25 THR CA C 25 60.598 60.559 0.039 1
1 149 . 3 1 1 A 25 25 THR CB C 25 70.801 71.026 -0.225 1
1 151 . 3 1 1 A 25 25 THR N N 25 113.078 114.635 -1.557 1
1 152 . 3 1 1 A 26 26 GLU H H 26 8.991 9.049 -0.058 1
1 153 . 3 1 1 A 26 26 GLU HA H 26 4.036 3.953 0.083 1
1 158 . 3 1 1 A 26 26 GLU C C 26 179.118 178.758 0.360 1
1 159 . 3 1 1 A 26 26 GLU CA C 26 60.222 59.806 0.416 1
1 160 . 3 1 1 A 26 26 GLU CB C 26 29.271 29.236 0.035 1
1 162 . 3 1 1 A 26 26 GLU N N 26 120.978 122.192 -1.214 1
1 163 . 3 1 1 A 27 27 LEU H H 27 8.120 8.048 0.072 1
1 164 . 3 1 1 A 27 27 LEU HA H 27 4.117 4.010 0.107 1
1 174 . 3 1 1 A 27 27 LEU C C 27 180.623 178.559 2.064 1
1 175 . 3 1 1 A 27 27 LEU CA C 27 58.187 58.340 -0.153 1
1 176 . 3 1 1 A 27 27 LEU CB C 27 42.220 41.937 0.283 1
1 180 . 3 1 1 A 27 27 LEU N N 27 118.897 121.229 -2.332 1
1 181 . 3 1 1 A 28 28 GLN H H 28 7.733 8.011 -0.278 1
1 182 . 3 1 1 A 28 28 GLN HA H 28 3.864 3.982 -0.118 1
1 189 . 3 1 1 A 28 28 GLN C C 28 177.492 178.701 -1.209 1
1 190 . 3 1 1 A 28 28 GLN CA C 28 59.212 59.240 -0.028 1
1 191 . 3 1 1 A 28 28 GLN CB C 28 27.740 28.414 -0.674 1
1 193 . 3 1 1 A 28 28 GLN N N 28 119.947 117.691 2.256 1
1 195 . 3 1 1 A 29 29 LEU H H 29 8.336 8.241 0.095 1
1 196 . 3 1 1 A 29 29 LEU HA H 29 3.665 3.881 -0.216 1
1 206 . 3 1 1 A 29 29 LEU C C 29 179.118 178.734 0.384 1
1 207 . 3 1 1 A 29 29 LEU CA C 29 58.068 57.586 0.482 1
1 208 . 3 1 1 A 29 29 LEU CB C 29 41.582 41.236 0.346 1
1 212 . 3 1 1 A 29 29 LEU N N 29 118.154 120.079 -1.925 1
1 213 . 3 1 1 A 30 30 MET H H 30 8.282 8.314 -0.032 1
1 214 . 3 1 1 A 30 30 MET HA H 30 4.118 4.148 -0.030 1
1 222 . 3 1 1 A 30 30 MET C C 30 179.070 178.787 0.283 1
1 223 . 3 1 1 A 30 30 MET CA C 30 58.583 58.249 0.334 1
1 224 . 3 1 1 A 30 30 MET CB C 30 32.665 32.140 0.525 1
1 227 . 3 1 1 A 30 30 MET N N 30 117.314 118.823 -1.509 1
1 228 . 3 1 1 A 31 31 GLY H H 31 7.904 8.349 -0.445 1
1 229 . 3 1 1 A 31 31 GLY HA2 H 31 3.787 3.693 0.094 1
1 230 . 3 1 1 A 31 31 GLY HA3 H 31 3.631 3.707 -0.076 1
1 231 . 3 1 1 A 31 31 GLY C C 31 176.618 175.212 1.406 1
1 232 . 3 1 1 A 31 31 GLY CA C 31 47.231 47.114 0.117 1
1 233 . 3 1 1 A 31 31 GLY N N 31 107.053 106.459 0.594 1
1 234 . 3 1 1 A 32 32 LEU H H 32 7.982 8.305 -0.323 1
1 235 . 3 1 1 A 32 32 LEU HA H 32 3.577 3.795 -0.218 1
1 245 . 3 1 1 A 32 32 LEU C C 32 177.564 179.356 -1.792 1
1 246 . 3 1 1 A 32 32 LEU CA C 32 58.318 57.508 0.810 1
1 247 . 3 1 1 A 32 32 LEU CB C 32 38.280 40.672 -2.392 1
1 251 . 3 1 1 A 32 32 LEU N N 32 125.323 122.727 2.596 1
1 252 . 3 1 1 A 33 33 GLU H H 33 8.054 7.851 0.203 1
1 253 . 3 1 1 A 33 33 GLU HA H 33 4.283 3.995 0.288 1
1 258 . 3 1 1 A 33 33 GLU C C 33 180.041 179.189 0.852 1
1 259 . 3 1 1 A 33 33 GLU CA C 33 59.157 59.702 -0.545 1
1 260 . 3 1 1 A 33 33 GLU CB C 33 29.155 29.367 -0.212 1
1 262 . 3 1 1 A 33 33 GLU N N 33 118.448 117.399 1.049 1
1 263 . 3 1 1 A 34 34 LYS H H 34 8.229 7.609 0.620 1
1 264 . 3 1 1 A 34 34 LYS HA H 34 4.099 3.982 0.117 1
1 271 . 3 1 1 A 34 34 LYS C C 34 179.822 179.227 0.595 1
1 272 . 3 1 1 A 34 34 LYS CA C 34 58.789 59.776 -0.987 1
1 273 . 3 1 1 A 34 34 LYS CB C 34 32.073 32.636 -0.563 1
1 277 . 3 1 1 A 34 34 LYS N N 34 118.230 120.790 -2.560 1
1 278 . 3 1 1 A 35 35 ARG H H 35 7.560 7.875 -0.315 1
1 279 . 3 1 1 A 35 35 ARG HA H 35 4.190 4.070 0.120 1
1 286 . 3 1 1 A 35 35 ARG C C 35 178.001 178.674 -0.673 1
1 287 . 3 1 1 A 35 35 ARG CA C 35 57.095 59.387 -2.292 1
1 288 . 3 1 1 A 35 35 ARG CB C 35 28.882 29.991 -1.109 1
1 291 . 3 1 1 A 35 35 ARG N N 35 120.162 118.458 1.704 1
1 292 . 3 1 1 A 36 36 PHE H H 36 8.810 8.393 0.417 1
1 293 . 3 1 1 A 36 36 PHE HA H 36 4.227 3.933 0.294 1
1 301 . 3 1 1 A 36 36 PHE C C 36 176.520 177.084 -0.564 1
1 302 . 3 1 1 A 36 36 PHE CA C 36 60.886 61.613 -0.727 1
1 303 . 3 1 1 A 36 36 PHE CB C 36 39.333 39.041 0.292 1
1 309 . 3 1 1 A 36 36 PHE N N 36 122.860 120.515 2.345 1
1 310 . 3 1 1 A 37 37 GLU H H 37 7.772 8.268 -0.496 1
1 311 . 3 1 1 A 37 37 GLU HA H 37 3.701 4.037 -0.336 1
1 316 . 3 1 1 A 37 37 GLU C C 37 177.297 179.238 -1.941 1
1 317 . 3 1 1 A 37 37 GLU CA C 37 59.036 59.793 -0.757 1
1 318 . 3 1 1 A 37 37 GLU CB C 37 29.981 29.396 0.585 1
1 320 . 3 1 1 A 37 37 GLU N N 37 116.313 117.541 -1.228 1
1 321 . 3 1 1 A 38 38 LYS H H 38 7.005 7.718 -0.713 1
1 322 . 3 1 1 A 38 38 LYS HA H 38 4.280 4.082 0.198 1
1 329 . 3 1 1 A 38 38 LYS C C 38 177.079 177.075 0.004 1
1 330 . 3 1 1 A 38 38 LYS CA C 38 56.741 59.351 -2.610 1
1 331 . 3 1 1 A 38 38 LYS CB C 38 34.301 32.659 1.642 1
1 335 . 3 1 1 A 38 38 LYS N N 38 114.632 120.065 -5.433 1
1 336 . 3 1 1 A 39 39 GLN H H 39 8.641 8.262 0.379 1
1 337 . 3 1 1 A 39 39 GLN HA H 39 4.509 4.511 -0.002 1
1 344 . 3 1 1 A 39 39 GLN C C 39 173.340 175.684 -2.344 1
1 345 . 3 1 1 A 39 39 GLN CA C 39 55.527 54.684 0.843 1
1 346 . 3 1 1 A 39 39 GLN CB C 39 31.827 29.884 1.943 1
1 348 . 3 1 1 A 39 39 GLN N N 39 120.830 117.923 2.907 1
1 350 . 3 1 1 A 40 40 LYS H H 40 8.474 8.489 -0.015 1
1 351 . 3 1 1 A 40 40 LYS HA H 40 3.598 3.256 0.342 1
1 360 . 3 1 1 A 40 40 LYS C C 40 174.530 175.583 -1.053 1
1 361 . 3 1 1 A 40 40 LYS CA C 40 56.459 58.998 -2.539 1
1 362 . 3 1 1 A 40 40 LYS CB C 40 32.276 31.700 0.576 1
1 366 . 3 1 1 A 40 40 LYS N N 40 125.122 126.251 -1.129 1
1 367 . 3 1 1 A 41 41 TYR H H 41 7.513 7.720 -0.207 1
1 368 . 3 1 1 A 41 41 TYR HA H 41 4.537 5.114 -0.577 1
1 375 . 3 1 1 A 41 41 TYR C C 41 174.700 174.407 0.293 1
1 376 . 3 1 1 A 41 41 TYR CA C 41 56.743 56.379 0.364 1
1 377 . 3 1 1 A 41 41 TYR CB C 41 41.274 43.127 -1.853 1
1 382 . 3 1 1 A 41 41 TYR N N 41 113.703 115.564 -1.861 1
1 383 . 3 1 1 A 42 42 LEU H H 42 8.544 8.827 -0.283 1
1 384 . 3 1 1 A 42 42 LEU HA H 42 4.610 4.818 -0.208 1
1 394 . 3 1 1 A 42 42 LEU C C 42 177.273 176.426 0.847 1
1 395 . 3 1 1 A 42 42 LEU CA C 42 53.408 53.522 -0.114 1
1 396 . 3 1 1 A 42 42 LEU CB C 42 44.040 45.692 -1.652 1
1 400 . 3 1 1 A 42 42 LEU N N 42 123.003 120.886 2.117 1
1 401 . 3 1 1 A 43 43 SER H H 43 8.651 8.754 -0.103 1
1 402 . 3 1 1 A 43 43 SER HA H 43 4.621 4.503 0.118 1
1 405 . 3 1 1 A 43 43 SER C C 43 174.530 175.870 -1.340 1
1 406 . 3 1 1 A 43 43 SER CA C 43 57.053 58.796 -1.743 1
1 407 . 3 1 1 A 43 43 SER CB C 43 64.786 64.388 0.398 1
1 408 . 3 1 1 A 43 43 SER N N 43 118.850 118.897 -0.047 1
1 409 . 3 1 1 A 44 44 THR H H 44 9.159 8.830 0.329 1
1 410 . 3 1 1 A 44 44 THR HA H 44 4.428 3.985 0.443 1
1 415 . 3 1 1 A 44 44 THR C C 44 175.428 173.565 1.863 1
1 416 . 3 1 1 A 44 44 THR CA C 44 66.563 67.654 -1.091 1
1 417 . 3 1 1 A 44 44 THR CB C 44 69.210 67.622 1.588 1
1 419 . 3 1 1 A 44 44 THR N N 44 117.903 117.212 0.691 1
1 420 . 3 1 1 A 45 45 PRO HA H 45 4.188 4.284 -0.096 1
1 427 . 3 1 1 A 45 45 PRO C C 45 179.312 178.677 0.635 1
1 428 . 3 1 1 A 45 45 PRO CA C 45 66.163 66.279 -0.116 1
1 429 . 3 1 1 A 45 45 PRO CB C 45 30.975 30.541 0.434 1
1 432 . 3 1 1 A 46 46 ASP H H 46 7.289 8.340 -1.051 1
1 433 . 3 1 1 A 46 46 ASP HA H 46 4.387 4.326 0.061 1
1 436 . 3 1 1 A 46 46 ASP C C 46 178.390 178.828 -0.438 1
1 437 . 3 1 1 A 46 46 ASP CA C 46 56.974 57.512 -0.538 1
1 438 . 3 1 1 A 46 46 ASP CB C 46 41.498 40.163 1.335 1
1 439 . 3 1 1 A 46 46 ASP N N 46 117.060 117.782 -0.722 1
1 440 . 3 1 1 A 47 47 ARG H H 47 8.493 7.819 0.674 1
1 441 . 3 1 1 A 47 47 ARG HA H 47 3.754 3.982 -0.228 1
1 448 . 3 1 1 A 47 47 ARG C C 47 177.880 178.696 -0.816 1
1 449 . 3 1 1 A 47 47 ARG CA C 47 60.123 58.685 1.438 1
1 450 . 3 1 1 A 47 47 ARG CB C 47 30.355 30.046 0.309 1
1 453 . 3 1 1 A 47 47 ARG N N 47 122.143 120.307 1.836 1
1 454 . 3 1 1 A 48 48 ILE H H 48 8.219 7.450 0.769 1
1 455 . 3 1 1 A 48 48 ILE HA H 48 3.475 3.571 -0.096 1
1 465 . 3 1 1 A 48 48 ILE C C 48 178.026 177.739 0.287 1
1 466 . 3 1 1 A 48 48 ILE CA C 48 66.105 65.291 0.814 1
1 467 . 3 1 1 A 48 48 ILE CB C 48 38.440 37.688 0.752 1
1 471 . 3 1 1 A 48 48 ILE N N 48 119.888 120.137 -0.249 1
1 472 . 3 1 1 A 49 49 ASP H H 49 7.775 8.516 -0.741 1
1 473 . 3 1 1 A 49 49 ASP HA H 49 4.406 4.274 0.132 1
1 476 . 3 1 1 A 49 49 ASP C C 49 178.900 178.139 0.761 1
1 477 . 3 1 1 A 49 49 ASP CA C 49 57.380 57.484 -0.104 1
1 478 . 3 1 1 A 49 49 ASP CB C 49 41.523 41.112 0.411 1
1 479 . 3 1 1 A 49 49 ASP N N 49 119.245 120.521 -1.276 1
1 480 . 3 1 1 A 50 50 LEU H H 50 8.344 8.018 0.326 1
1 481 . 3 1 1 A 50 50 LEU HA H 50 4.090 4.050 0.040 1
1 491 . 3 1 1 A 50 50 LEU C C 50 178.705 178.201 0.504 1
1 492 . 3 1 1 A 50 50 LEU CA C 50 57.651 58.209 -0.558 1
1 493 . 3 1 1 A 50 50 LEU CB C 50 42.526 42.011 0.515 1
1 497 . 3 1 1 A 50 50 LEU N N 50 121.649 120.401 1.248 1
1 498 . 3 1 1 A 51 51 ALA H H 51 8.513 8.309 0.204 1
1 499 . 3 1 1 A 51 51 ALA HA H 51 3.611 3.948 -0.337 1
1 503 . 3 1 1 A 51 51 ALA C C 51 179.749 179.846 -0.097 1
1 504 . 3 1 1 A 51 51 ALA CA C 51 56.139 55.088 1.051 1
1 505 . 3 1 1 A 51 51 ALA CB C 51 17.519 18.320 -0.801 1
1 506 . 3 1 1 A 51 51 ALA N N 51 120.902 120.397 0.505 1
1 507 . 3 1 1 A 52 52 GLU H H 52 8.285 7.901 0.384 1
1 508 . 3 1 1 A 52 52 GLU HA H 52 4.097 4.102 -0.005 1
1 513 . 3 1 1 A 52 52 GLU C C 52 180.114 178.964 1.150 1
1 514 . 3 1 1 A 52 52 GLU CA C 52 59.307 59.005 0.302 1
1 515 . 3 1 1 A 52 52 GLU CB C 52 29.408 28.843 0.565 1
1 517 . 3 1 1 A 52 52 GLU N N 52 116.933 119.229 -2.296 1
1 518 . 3 1 1 A 53 53 SER H H 53 8.229 8.153 0.076 1
1 519 . 3 1 1 A 53 53 SER HA H 53 4.251 4.266 -0.015 1
1 522 . 3 1 1 A 53 53 SER C C 53 176.059 176.298 -0.239 1
1 523 . 3 1 1 A 53 53 SER CA C 53 61.347 61.264 0.083 1
1 524 . 3 1 1 A 53 53 SER CB C 53 63.235 62.860 0.375 1
1 525 . 3 1 1 A 53 53 SER N N 53 114.615 115.739 -1.124 1
1 526 . 3 1 1 A 54 54 LEU H H 54 7.675 7.606 0.069 1
1 527 . 3 1 1 A 54 54 LEU HA H 54 4.513 4.345 0.168 1
1 537 . 3 1 1 A 54 54 LEU C C 54 177.516 177.061 0.455 1
1 538 . 3 1 1 A 54 54 LEU CA C 54 54.422 55.472 -1.050 1
1 539 . 3 1 1 A 54 54 LEU CB C 54 43.880 42.766 1.114 1
1 543 . 3 1 1 A 54 54 LEU N N 54 117.401 118.761 -1.360 1
1 544 . 3 1 1 A 55 55 GLY H H 55 7.941 8.515 -0.574 1
1 545 . 3 1 1 A 55 55 GLY HA2 H 55 3.982 3.928 0.054 1
1 546 . 3 1 1 A 55 55 GLY HA3 H 55 4.026 3.929 0.097 1
1 547 . 3 1 1 A 55 55 GLY C C 55 174.360 174.422 -0.062 1
1 548 . 3 1 1 A 55 55 GLY CA C 55 46.728 45.638 1.090 1
1 549 . 3 1 1 A 55 55 GLY N N 55 111.061 106.507 4.554 1
1 550 . 3 1 1 A 56 56 LEU H H 56 8.190 7.936 0.254 1
1 551 . 3 1 1 A 56 56 LEU HA H 56 4.803 4.755 0.048 1
1 561 . 3 1 1 A 56 56 LEU C C 56 175.914 176.058 -0.144 1
1 562 . 3 1 1 A 56 56 LEU CA C 56 52.510 53.673 -1.163 1
1 563 . 3 1 1 A 56 56 LEU CB C 56 47.484 43.296 4.188 1
1 567 . 3 1 1 A 56 56 LEU N N 56 119.967 121.911 -1.944 1
1 568 . 3 1 1 A 57 57 SER H H 57 9.037 9.025 0.012 1
1 569 . 3 1 1 A 57 57 SER HA H 57 4.423 4.622 -0.199 1
1 572 . 3 1 1 A 57 57 SER C C 57 176.618 175.648 0.970 1
1 573 . 3 1 1 A 57 57 SER CA C 57 56.189 58.421 -2.232 1
1 574 . 3 1 1 A 57 57 SER CB C 57 65.579 64.048 1.531 1
1 575 . 3 1 1 A 57 57 SER N N 57 115.098 117.766 -2.668 1
1 576 . 3 1 1 A 58 58 GLN HA H 58 3.741 3.952 -0.211 1
1 583 . 3 1 1 A 58 58 GLN C C 58 177.904 178.261 -0.357 1
1 584 . 3 1 1 A 58 58 GLN CA C 58 60.504 58.990 1.514 1
1 585 . 3 1 1 A 58 58 GLN CB C 58 28.365 28.232 0.133 1
1 588 . 3 1 1 A 59 59 LEU H H 59 8.207 8.064 0.143 1
1 589 . 3 1 1 A 59 59 LEU HA H 59 4.192 4.074 0.118 1
1 599 . 3 1 1 A 59 59 LEU C C 59 179.871 178.801 1.070 1
1 600 . 3 1 1 A 59 59 LEU CA C 59 57.878 58.130 -0.252 1
1 601 . 3 1 1 A 59 59 LEU CB C 59 41.747 41.975 -0.228 1
1 605 . 3 1 1 A 59 59 LEU N N 59 120.246 121.366 -1.120 1
1 606 . 3 1 1 A 60 60 GLN H H 60 8.125 8.261 -0.136 1
1 607 . 3 1 1 A 60 60 GLN HA H 60 4.214 4.205 0.009 1
1 614 . 3 1 1 A 60 60 GLN C C 60 179.434 178.820 0.614 1
1 615 . 3 1 1 A 60 60 GLN CA C 60 59.530 59.252 0.278 1
1 616 . 3 1 1 A 60 60 GLN CB C 60 29.651 28.588 1.063 1
1 618 . 3 1 1 A 60 60 GLN N N 60 120.637 118.166 2.471 1
1 620 . 3 1 1 A 61 61 VAL H H 61 7.717 8.162 -0.445 1
1 621 . 3 1 1 A 61 61 VAL HA H 61 3.673 3.808 -0.135 1
1 629 . 3 1 1 A 61 61 VAL C C 61 176.982 177.924 -0.942 1
1 630 . 3 1 1 A 61 61 VAL CA C 61 67.670 67.168 0.502 1
1 631 . 3 1 1 A 61 61 VAL CB C 61 31.899 31.494 0.405 1
1 634 . 3 1 1 A 61 61 VAL N N 61 118.389 120.137 -1.748 1
1 635 . 3 1 1 A 62 62 LYS H H 62 8.578 7.929 0.649 1
1 636 . 3 1 1 A 62 62 LYS HA H 62 4.423 4.078 0.345 1
1 644 . 3 1 1 A 62 62 LYS C C 62 179.749 178.953 0.796 1
1 645 . 3 1 1 A 62 62 LYS CA C 62 59.821 59.893 -0.072 1
1 646 . 3 1 1 A 62 62 LYS CB C 62 33.793 32.516 1.277 1
1 650 . 3 1 1 A 62 62 LYS N N 62 120.540 120.551 -0.011 1
1 651 . 3 1 1 A 63 63 THR H H 63 8.722 8.567 0.155 1
1 652 . 3 1 1 A 63 63 THR HA H 63 4.007 4.002 0.005 1
1 657 . 3 1 1 A 63 63 THR C C 63 176.059 176.737 -0.678 1
1 658 . 3 1 1 A 63 63 THR CA C 63 66.527 67.044 -0.517 1
1 659 . 3 1 1 A 63 63 THR CB C 63 69.236 68.727 0.509 1
1 661 . 3 1 1 A 63 63 THR N N 63 115.962 114.517 1.445 1
1 662 . 3 1 1 A 64 64 TRP H H 64 8.506 8.756 -0.250 1
1 663 . 3 1 1 A 64 64 TRP HA H 64 4.064 4.212 -0.148 1
1 672 . 3 1 1 A 64 64 TRP C C 64 179.264 178.157 1.107 1
1 673 . 3 1 1 A 64 64 TRP CA C 64 63.070 61.140 1.930 1
1 674 . 3 1 1 A 64 64 TRP CB C 64 29.048 29.708 -0.660 1
1 680 . 3 1 1 A 64 64 TRP N N 64 123.609 121.328 2.281 1
1 682 . 3 1 1 A 65 65 TYR H H 65 9.152 8.911 0.241 1
1 683 . 3 1 1 A 65 65 TYR HA H 65 3.660 4.575 -0.915 1
1 690 . 3 1 1 A 65 65 TYR C C 65 178.535 178.341 0.194 1
1 691 . 3 1 1 A 65 65 TYR CA C 65 63.749 62.019 1.730 1
1 692 . 3 1 1 A 65 65 TYR CB C 65 39.082 38.373 0.709 1
1 697 . 3 1 1 A 65 65 TYR N N 65 121.400 118.927 2.473 1
1 698 . 3 1 1 A 66 66 GLN H H 66 7.981 8.178 -0.197 1
1 699 . 3 1 1 A 66 66 GLN HA H 66 4.036 4.082 -0.046 1
1 706 . 3 1 1 A 66 66 GLN C C 66 179.045 178.550 0.495 1
1 707 . 3 1 1 A 66 66 GLN CA C 66 59.255 59.123 0.132 1
1 708 . 3 1 1 A 66 66 GLN CB C 66 28.207 28.230 -0.023 1
1 710 . 3 1 1 A 66 66 GLN N N 66 116.821 119.763 -2.942 1
1 712 . 3 1 1 A 67 67 ASN H H 67 7.862 8.607 -0.745 1
1 713 . 3 1 1 A 67 67 ASN HA H 67 4.367 4.481 -0.114 1
1 718 . 3 1 1 A 67 67 ASN C C 67 177.759 177.115 0.644 1
1 719 . 3 1 1 A 67 67 ASN CA C 67 55.852 55.904 -0.052 1
1 720 . 3 1 1 A 67 67 ASN CB C 67 38.119 37.991 0.128 1
1 721 . 3 1 1 A 67 67 ASN N N 67 118.257 117.543 0.714 1
1 723 . 3 1 1 A 68 68 ARG H H 68 8.533 7.977 0.556 1
1 724 . 3 1 1 A 68 68 ARG HA H 68 3.430 3.917 -0.487 1
1 732 . 3 1 1 A 68 68 ARG C C 68 179.992 178.316 1.676 1
1 733 . 3 1 1 A 68 68 ARG CA C 68 56.391 58.092 -1.701 1
1 734 . 3 1 1 A 68 68 ARG CB C 68 27.959 30.100 -2.141 1
1 737 . 3 1 1 A 68 68 ARG N N 68 123.922 118.916 5.006 1
1 739 . 3 1 1 A 69 69 ARG H H 69 8.226 8.517 -0.291 1
1 740 . 3 1 1 A 69 69 ARG HA H 69 4.357 4.306 0.051 1
1 747 . 3 1 1 A 69 69 ARG C C 69 178.535 178.656 -0.121 1
1 748 . 3 1 1 A 69 69 ARG CA C 69 60.681 59.563 1.118 1
1 749 . 3 1 1 A 69 69 ARG CB C 69 31.938 30.058 1.880 1
1 752 . 3 1 1 A 69 69 ARG N N 69 118.839 119.622 -0.783 1
1 753 . 3 1 1 A 70 70 MET H H 70 7.480 8.497 -1.017 1
1 754 . 3 1 1 A 70 70 MET HA H 70 4.287 4.240 0.047 1
1 762 . 3 1 1 A 70 70 MET C C 70 178.098 178.788 -0.690 1
1 763 . 3 1 1 A 70 70 MET CA C 70 58.381 58.595 -0.214 1
1 764 . 3 1 1 A 70 70 MET CB C 70 32.011 32.119 -0.108 1
1 767 . 3 1 1 A 70 70 MET N N 70 118.164 118.494 -0.330 1
1 768 . 3 1 1 A 71 71 LYS H H 71 7.298 8.175 -0.877 1
1 769 . 3 1 1 A 71 71 LYS HA H 71 4.086 4.120 -0.034 1
1 778 . 3 1 1 A 71 71 LYS C C 71 177.831 178.962 -1.131 1
1 779 . 3 1 1 A 71 71 LYS CA C 71 58.324 58.727 -0.403 1
1 780 . 3 1 1 A 71 71 LYS CB C 71 32.732 32.126 0.606 1
1 784 . 3 1 1 A 71 71 LYS N N 71 118.798 119.451 -0.653 1
1 785 . 3 1 1 A 72 72 TRP H H 72 7.952 8.401 -0.449 1
1 786 . 3 1 1 A 72 72 TRP HA H 72 4.721 4.232 0.489 1
1 795 . 3 1 1 A 72 72 TRP C C 72 177.152 178.426 -1.274 1
1 796 . 3 1 1 A 72 72 TRP CA C 72 58.506 60.260 -1.754 1
1 797 . 3 1 1 A 72 72 TRP CB C 72 29.602 29.740 -0.138 1
1 803 . 3 1 1 A 72 72 TRP N N 72 121.455 122.984 -1.529 1
1 805 . 3 1 1 A 73 73 LYS H H 73 8.241 8.497 -0.256 1
1 806 . 3 1 1 A 73 73 LYS HA H 73 3.781 3.309 0.472 1
1 815 . 3 1 1 A 73 73 LYS C C 73 176.957 177.022 -0.065 1
1 816 . 3 1 1 A 73 73 LYS CA C 73 57.074 59.266 -2.192 1
1 817 . 3 1 1 A 73 73 LYS CB C 73 32.567 32.222 0.345 1
1 821 . 3 1 1 A 73 73 LYS N N 73 120.065 118.455 1.610 1
1 822 . 3 1 1 A 74 74 LYS H H 74 7.705 7.545 0.160 1
1 823 . 3 1 1 A 74 74 LYS HA H 74 4.154 4.487 -0.333 1
1 830 . 3 1 1 A 74 74 LYS C C 74 176.836 176.266 0.570 1
1 831 . 3 1 1 A 74 74 LYS CA C 74 57.028 55.504 1.524 1
1 832 . 3 1 1 A 74 74 LYS CB C 74 32.402 34.156 -1.754 1
1 836 . 3 1 1 A 74 74 LYS N N 74 120.036 119.411 0.625 1
1 837 . 3 1 1 A 75 75 SER H H 75 7.986 8.563 -0.577 1
1 838 . 3 1 1 A 75 75 SER HA H 75 4.470 4.318 0.152 1
1 841 . 3 1 1 A 75 75 SER C C 75 174.530 175.198 -0.668 1
1 842 . 3 1 1 A 75 75 SER CA C 75 58.786 59.126 -0.340 1
1 843 . 3 1 1 A 75 75 SER CB C 75 63.975 64.117 -0.142 1
1 844 . 3 1 1 A 75 75 SER N N 75 115.488 119.992 -4.504 1
1 845 . 3 1 1 A 76 76 GLY H H 76 8.040 7.859 0.181 1
1 846 . 3 1 1 A 76 76 GLY HA2 H 76 4.076 3.950 0.126 1
1 847 . 3 1 1 A 76 76 GLY HA3 H 76 4.099 3.951 0.148 1
1 848 . 3 1 1 A 76 76 GLY C C 76 171.835 174.998 -3.163 1
1 849 . 3 1 1 A 76 76 GLY CA C 76 44.789 46.253 -1.464 1
1 850 . 3 1 1 A 76 76 GLY N N 76 110.454 109.393 1.061 1
1 851 . 3 1 1 A 77 77 PRO HA H 77 4.456 4.291 0.165 1
1 856 . 3 1 1 A 77 77 PRO CA C 77 63.323 64.656 -1.333 1
1 857 . 3 1 1 A 77 77 PRO CB C 77 32.209 32.015 0.194 1
1 860 . 3 1 1 A 79 79 SER HA H 79 4.506 4.989 -0.483 1
1 863 . 3 1 1 A 79 79 SER C C 79 173.947 172.435 1.512 1
1 864 . 3 1 1 A 79 79 SER CA C 79 58.433 57.763 0.670 1
1 865 . 3 1 1 A 79 79 SER CB C 79 63.960 67.576 -3.616 1
1 1 . 4 1 1 A 7 7 GLY HA2 H 7 4.014 4.085 -0.071 1
1 2 . 4 1 1 A 7 7 GLY HA3 H 7 4.014 4.085 -0.071 1
1 3 . 4 1 1 A 7 7 GLY C C 7 174.578 173.589 0.989 1
1 4 . 4 1 1 A 7 7 GLY CA C 7 45.445 44.714 0.731 1
1 5 . 4 1 1 A 8 8 GLY H H 8 8.219 8.353 -0.134 1
1 6 . 4 1 1 A 8 8 GLY HA2 H 8 3.959 4.109 -0.150 1
1 7 . 4 1 1 A 8 8 GLY HA3 H 8 3.959 4.109 -0.150 1
1 8 . 4 1 1 A 8 8 GLY C C 8 173.898 172.501 1.397 1
1 9 . 4 1 1 A 8 8 GLY CA C 8 44.923 45.625 -0.702 1
1 10 . 4 1 1 A 8 8 GLY N N 8 108.655 108.328 0.327 1
1 11 . 4 1 1 A 9 9 GLU H H 9 8.378 8.476 -0.098 1
1 12 . 4 1 1 A 9 9 GLU HA H 9 4.586 4.339 0.247 1
1 16 . 4 1 1 A 9 9 GLU C C 9 175.015 176.720 -1.705 1
1 17 . 4 1 1 A 9 9 GLU CA C 9 54.661 55.525 -0.864 1
1 18 . 4 1 1 A 9 9 GLU CB C 9 29.534 29.362 0.172 1
1 20 . 4 1 1 A 9 9 GLU N N 9 121.838 121.974 -0.136 1
1 21 . 4 1 1 A 10 10 PRO HA H 10 4.428 4.477 -0.049 1
1 28 . 4 1 1 A 10 10 PRO C C 10 177.856 177.169 0.687 1
1 29 . 4 1 1 A 10 10 PRO CA C 10 63.767 63.975 -0.208 1
1 30 . 4 1 1 A 10 10 PRO CB C 10 32.080 32.075 0.005 1
1 33 . 4 1 1 A 11 11 GLY H H 11 8.556 7.599 0.957 1
1 34 . 4 1 1 A 11 11 GLY HA2 H 11 3.997 4.015 -0.018 1
1 35 . 4 1 1 A 11 11 GLY HA3 H 11 3.997 4.015 -0.018 1
1 36 . 4 1 1 A 11 11 GLY C C 11 174.724 173.432 1.292 1
1 37 . 4 1 1 A 11 11 GLY CA C 11 45.529 45.747 -0.218 1
1 38 . 4 1 1 A 11 11 GLY N N 11 108.931 106.393 2.538 1
1 39 . 4 1 1 A 12 12 THR H H 12 7.973 8.095 -0.122 1
1 40 . 4 1 1 A 12 12 THR HA H 12 4.306 4.985 -0.679 1
1 45 . 4 1 1 A 12 12 THR C C 12 174.942 173.100 1.842 1
1 46 . 4 1 1 A 12 12 THR CA C 12 62.240 59.820 2.420 1
1 47 . 4 1 1 A 12 12 THR CB C 12 69.882 72.076 -2.194 1
1 49 . 4 1 1 A 12 12 THR N N 12 113.454 109.670 3.784 1
1 50 . 4 1 1 A 13 13 LYS H H 13 8.313 8.313 0.000 1
1 51 . 4 1 1 A 13 13 LYS HA H 13 4.281 4.384 -0.103 1
1 58 . 4 1 1 A 13 13 LYS C C 13 176.520 175.977 0.543 1
1 59 . 4 1 1 A 13 13 LYS CA C 13 56.565 56.014 0.551 1
1 60 . 4 1 1 A 13 13 LYS CB C 13 32.590 31.308 1.282 1
1 64 . 4 1 1 A 13 13 LYS N N 13 123.479 120.262 3.217 1
1 65 . 4 1 1 A 14 14 ALA H H 14 8.192 8.258 -0.066 1
1 66 . 4 1 1 A 14 14 ALA HA H 14 4.272 4.446 -0.174 1
1 70 . 4 1 1 A 14 14 ALA C C 14 177.807 176.888 0.919 1
1 71 . 4 1 1 A 14 14 ALA CA C 14 52.581 52.490 0.091 1
1 72 . 4 1 1 A 14 14 ALA CB C 14 19.258 19.506 -0.248 1
1 73 . 4 1 1 A 14 14 ALA N N 14 124.692 127.868 -3.176 1
1 74 . 4 1 1 A 15 15 LYS H H 15 8.264 8.357 -0.093 1
1 75 . 4 1 1 A 15 15 LYS HA H 15 4.296 4.665 -0.369 1
1 81 . 4 1 1 A 15 15 LYS C C 15 176.812 174.295 2.517 1
1 82 . 4 1 1 A 15 15 LYS CA C 15 56.403 55.746 0.657 1
1 83 . 4 1 1 A 15 15 LYS CB C 15 32.979 36.171 -3.192 1
1 87 . 4 1 1 A 15 15 LYS N N 15 120.979 121.936 -0.957 1
1 88 . 4 1 1 A 16 16 LYS H H 16 8.330 8.614 -0.284 1
1 89 . 4 1 1 A 16 16 LYS HA H 16 4.289 5.036 -0.747 1
1 93 . 4 1 1 A 16 16 LYS C C 16 177.103 176.027 1.076 1
1 94 . 4 1 1 A 16 16 LYS CB C 16 33.072 34.669 -1.597 1
1 98 . 4 1 1 A 16 16 LYS N N 16 122.581 126.347 -3.766 1
1 99 . 4 1 1 A 22 22 THR HA H 22 4.294 4.618 -0.324 1
1 104 . 4 1 1 A 22 22 THR C C 22 174.020 172.715 1.305 1
1 105 . 4 1 1 A 22 22 THR CA C 22 61.928 60.715 1.213 1
1 106 . 4 1 1 A 22 22 THR CB C 22 69.730 71.499 -1.769 1
1 108 . 4 1 1 A 23 23 VAL H H 23 8.087 8.573 -0.486 1
1 109 . 4 1 1 A 23 23 VAL HA H 23 4.112 3.951 0.161 1
1 117 . 4 1 1 A 23 23 VAL C C 23 175.646 176.201 -0.555 1
1 118 . 4 1 1 A 23 23 VAL CA C 23 62.011 63.168 -1.157 1
1 119 . 4 1 1 A 23 23 VAL CB C 23 33.060 32.042 1.018 1
1 122 . 4 1 1 A 23 23 VAL N N 23 123.252 127.227 -3.975 1
1 123 . 4 1 1 A 24 24 PHE H H 24 8.220 8.827 -0.607 1
1 124 . 4 1 1 A 24 24 PHE HA H 24 4.976 4.711 0.265 1
1 132 . 4 1 1 A 24 24 PHE C C 24 176.739 176.125 0.614 1
1 133 . 4 1 1 A 24 24 PHE CA C 24 56.389 57.880 -1.491 1
1 134 . 4 1 1 A 24 24 PHE CB C 24 40.492 39.797 0.695 1
1 140 . 4 1 1 A 24 24 PHE N N 24 123.332 125.997 -2.665 1
1 141 . 4 1 1 A 25 25 THR H H 25 9.003 8.283 0.720 1
1 142 . 4 1 1 A 25 25 THR HA H 25 4.470 4.757 -0.287 1
1 147 . 4 1 1 A 25 25 THR C C 25 175.209 176.186 -0.977 1
1 148 . 4 1 1 A 25 25 THR CA C 25 60.598 60.650 -0.052 1
1 149 . 4 1 1 A 25 25 THR CB C 25 70.801 70.941 -0.140 1
1 151 . 4 1 1 A 25 25 THR N N 25 113.078 115.385 -2.307 1
1 152 . 4 1 1 A 26 26 GLU H H 26 8.991 9.091 -0.100 1
1 153 . 4 1 1 A 26 26 GLU HA H 26 4.036 3.992 0.044 1
1 158 . 4 1 1 A 26 26 GLU C C 26 179.118 178.754 0.364 1
1 159 . 4 1 1 A 26 26 GLU CA C 26 60.222 59.510 0.712 1
1 160 . 4 1 1 A 26 26 GLU CB C 26 29.271 29.348 -0.077 1
1 162 . 4 1 1 A 26 26 GLU N N 26 120.978 121.701 -0.723 1
1 163 . 4 1 1 A 27 27 LEU H H 27 8.120 8.015 0.105 1
1 164 . 4 1 1 A 27 27 LEU HA H 27 4.117 3.999 0.118 1
1 174 . 4 1 1 A 27 27 LEU C C 27 180.623 178.512 2.111 1
1 175 . 4 1 1 A 27 27 LEU CA C 27 58.187 58.457 -0.270 1
1 176 . 4 1 1 A 27 27 LEU CB C 27 42.220 41.911 0.309 1
1 180 . 4 1 1 A 27 27 LEU N N 27 118.897 121.300 -2.403 1
1 181 . 4 1 1 A 28 28 GLN H H 28 7.733 7.916 -0.183 1
1 182 . 4 1 1 A 28 28 GLN HA H 28 3.864 3.947 -0.083 1
1 189 . 4 1 1 A 28 28 GLN C C 28 177.492 178.957 -1.465 1
1 190 . 4 1 1 A 28 28 GLN CA C 28 59.212 58.845 0.367 1
1 191 . 4 1 1 A 28 28 GLN CB C 28 27.740 28.120 -0.380 1
1 193 . 4 1 1 A 28 28 GLN N N 28 119.947 117.753 2.194 1
1 195 . 4 1 1 A 29 29 LEU H H 29 8.336 8.380 -0.044 1
1 196 . 4 1 1 A 29 29 LEU HA H 29 3.665 3.725 -0.060 1
1 206 . 4 1 1 A 29 29 LEU C C 29 179.118 178.752 0.366 1
1 207 . 4 1 1 A 29 29 LEU CA C 29 58.068 57.813 0.255 1
1 208 . 4 1 1 A 29 29 LEU CB C 29 41.582 41.640 -0.058 1
1 212 . 4 1 1 A 29 29 LEU N N 29 118.154 119.624 -1.470 1
1 213 . 4 1 1 A 30 30 MET H H 30 8.282 8.638 -0.356 1
1 214 . 4 1 1 A 30 30 MET HA H 30 4.118 4.032 0.086 1
1 222 . 4 1 1 A 30 30 MET C C 30 179.070 178.898 0.172 1
1 223 . 4 1 1 A 30 30 MET CA C 30 58.583 58.735 -0.152 1
1 224 . 4 1 1 A 30 30 MET CB C 30 32.665 32.292 0.373 1
1 227 . 4 1 1 A 30 30 MET N N 30 117.314 118.674 -1.360 1
1 228 . 4 1 1 A 31 31 GLY H H 31 7.904 8.172 -0.268 1
1 229 . 4 1 1 A 31 31 GLY HA2 H 31 3.787 3.688 0.099 1
1 230 . 4 1 1 A 31 31 GLY HA3 H 31 3.631 3.711 -0.080 1
1 231 . 4 1 1 A 31 31 GLY C C 31 176.618 175.162 1.456 1
1 232 . 4 1 1 A 31 31 GLY CA C 31 47.231 47.177 0.054 1
1 233 . 4 1 1 A 31 31 GLY N N 31 107.053 107.444 -0.391 1
1 234 . 4 1 1 A 32 32 LEU H H 32 7.982 8.100 -0.118 1
1 235 . 4 1 1 A 32 32 LEU HA H 32 3.577 3.844 -0.267 1
1 245 . 4 1 1 A 32 32 LEU C C 32 177.564 179.433 -1.869 1
1 246 . 4 1 1 A 32 32 LEU CA C 32 58.318 57.523 0.795 1
1 247 . 4 1 1 A 32 32 LEU CB C 32 38.280 40.394 -2.114 1
1 251 . 4 1 1 A 32 32 LEU N N 32 125.323 122.738 2.585 1
1 252 . 4 1 1 A 33 33 GLU H H 33 8.054 8.390 -0.336 1
1 253 . 4 1 1 A 33 33 GLU HA H 33 4.283 4.142 0.141 1
1 258 . 4 1 1 A 33 33 GLU C C 33 180.041 179.280 0.761 1
1 259 . 4 1 1 A 33 33 GLU CA C 33 59.157 59.769 -0.612 1
1 260 . 4 1 1 A 33 33 GLU CB C 33 29.155 29.319 -0.164 1
1 262 . 4 1 1 A 33 33 GLU N N 33 118.448 118.072 0.376 1
1 263 . 4 1 1 A 34 34 LYS H H 34 8.229 7.675 0.554 1
1 264 . 4 1 1 A 34 34 LYS HA H 34 4.099 4.026 0.073 1
1 271 . 4 1 1 A 34 34 LYS C C 34 179.822 178.922 0.900 1
1 272 . 4 1 1 A 34 34 LYS CA C 34 58.789 59.685 -0.896 1
1 273 . 4 1 1 A 34 34 LYS CB C 34 32.073 32.181 -0.108 1
1 277 . 4 1 1 A 34 34 LYS N N 34 118.230 121.342 -3.112 1
1 278 . 4 1 1 A 35 35 ARG H H 35 7.560 8.121 -0.561 1
1 279 . 4 1 1 A 35 35 ARG HA H 35 4.190 4.095 0.095 1
1 286 . 4 1 1 A 35 35 ARG C C 35 178.001 178.989 -0.988 1
1 287 . 4 1 1 A 35 35 ARG CA C 35 57.095 59.744 -2.649 1
1 288 . 4 1 1 A 35 35 ARG CB C 35 28.882 29.940 -1.058 1
1 291 . 4 1 1 A 35 35 ARG N N 35 120.162 118.464 1.698 1
1 292 . 4 1 1 A 36 36 PHE H H 36 8.810 8.333 0.477 1
1 293 . 4 1 1 A 36 36 PHE HA H 36 4.227 4.048 0.179 1
1 301 . 4 1 1 A 36 36 PHE C C 36 176.520 177.347 -0.827 1
1 302 . 4 1 1 A 36 36 PHE CA C 36 60.886 60.828 0.058 1
1 303 . 4 1 1 A 36 36 PHE CB C 36 39.333 38.801 0.532 1
1 309 . 4 1 1 A 36 36 PHE N N 36 122.860 120.569 2.291 1
1 310 . 4 1 1 A 37 37 GLU H H 37 7.772 8.709 -0.937 1
1 311 . 4 1 1 A 37 37 GLU HA H 37 3.701 3.990 -0.289 1
1 316 . 4 1 1 A 37 37 GLU C C 37 177.297 179.161 -1.864 1
1 317 . 4 1 1 A 37 37 GLU CA C 37 59.036 59.766 -0.730 1
1 318 . 4 1 1 A 37 37 GLU CB C 37 29.981 29.068 0.913 1
1 320 . 4 1 1 A 37 37 GLU N N 37 116.313 117.846 -1.533 1
1 321 . 4 1 1 A 38 38 LYS H H 38 7.005 8.200 -1.195 1
1 322 . 4 1 1 A 38 38 LYS HA H 38 4.280 4.113 0.167 1
1 329 . 4 1 1 A 38 38 LYS C C 38 177.079 177.032 0.047 1
1 330 . 4 1 1 A 38 38 LYS CA C 38 56.741 59.660 -2.919 1
1 331 . 4 1 1 A 38 38 LYS CB C 38 34.301 32.292 2.009 1
1 335 . 4 1 1 A 38 38 LYS N N 38 114.632 120.026 -5.394 1
1 336 . 4 1 1 A 39 39 GLN H H 39 8.641 8.146 0.495 1
1 337 . 4 1 1 A 39 39 GLN HA H 39 4.509 4.459 0.050 1
1 344 . 4 1 1 A 39 39 GLN C C 39 173.340 175.713 -2.373 1
1 345 . 4 1 1 A 39 39 GLN CA C 39 55.527 54.185 1.342 1
1 346 . 4 1 1 A 39 39 GLN CB C 39 31.827 29.027 2.800 1
1 348 . 4 1 1 A 39 39 GLN N N 39 120.830 117.847 2.983 1
1 350 . 4 1 1 A 40 40 LYS H H 40 8.474 8.218 0.256 1
1 351 . 4 1 1 A 40 40 LYS HA H 40 3.598 3.117 0.481 1
1 360 . 4 1 1 A 40 40 LYS C C 40 174.530 175.915 -1.385 1
1 361 . 4 1 1 A 40 40 LYS CA C 40 56.459 58.693 -2.234 1
1 362 . 4 1 1 A 40 40 LYS CB C 40 32.276 31.310 0.966 1
1 366 . 4 1 1 A 40 40 LYS N N 40 125.122 125.574 -0.452 1
1 367 . 4 1 1 A 41 41 TYR H H 41 7.513 7.450 0.063 1
1 368 . 4 1 1 A 41 41 TYR HA H 41 4.537 5.279 -0.742 1
1 375 . 4 1 1 A 41 41 TYR C C 41 174.700 175.069 -0.369 1
1 376 . 4 1 1 A 41 41 TYR CA C 41 56.743 56.815 -0.072 1
1 377 . 4 1 1 A 41 41 TYR CB C 41 41.274 42.096 -0.822 1
1 382 . 4 1 1 A 41 41 TYR N N 41 113.703 115.985 -2.282 1
1 383 . 4 1 1 A 42 42 LEU H H 42 8.544 8.704 -0.160 1
1 384 . 4 1 1 A 42 42 LEU HA H 42 4.610 4.482 0.128 1
1 394 . 4 1 1 A 42 42 LEU C C 42 177.273 177.273 0.000 1
1 395 . 4 1 1 A 42 42 LEU CA C 42 53.408 54.236 -0.828 1
1 396 . 4 1 1 A 42 42 LEU CB C 42 44.040 42.322 1.718 1
1 400 . 4 1 1 A 42 42 LEU N N 42 123.003 125.783 -2.780 1
1 401 . 4 1 1 A 43 43 SER H H 43 8.651 8.856 -0.205 1
1 402 . 4 1 1 A 43 43 SER HA H 43 4.621 4.543 0.078 1
1 405 . 4 1 1 A 43 43 SER C C 43 174.530 175.917 -1.387 1
1 406 . 4 1 1 A 43 43 SER CA C 43 57.053 58.539 -1.486 1
1 407 . 4 1 1 A 43 43 SER CB C 43 64.786 64.350 0.436 1
1 408 . 4 1 1 A 43 43 SER N N 43 118.850 117.638 1.212 1
1 409 . 4 1 1 A 44 44 THR H H 44 9.159 8.783 0.376 1
1 410 . 4 1 1 A 44 44 THR HA H 44 4.428 3.985 0.443 1
1 415 . 4 1 1 A 44 44 THR C C 44 175.428 173.553 1.875 1
1 416 . 4 1 1 A 44 44 THR CA C 44 66.563 67.619 -1.056 1
1 417 . 4 1 1 A 44 44 THR CB C 44 69.210 67.276 1.934 1
1 419 . 4 1 1 A 44 44 THR N N 44 117.903 116.787 1.116 1
1 420 . 4 1 1 A 45 45 PRO HA H 45 4.188 4.298 -0.110 1
1 427 . 4 1 1 A 45 45 PRO C C 45 179.312 178.868 0.444 1
1 428 . 4 1 1 A 45 45 PRO CA C 45 66.163 66.397 -0.234 1
1 429 . 4 1 1 A 45 45 PRO CB C 45 30.975 30.564 0.411 1
1 432 . 4 1 1 A 46 46 ASP H H 46 7.289 8.382 -1.093 1
1 433 . 4 1 1 A 46 46 ASP HA H 46 4.387 4.309 0.078 1
1 436 . 4 1 1 A 46 46 ASP C C 46 178.390 178.719 -0.329 1
1 437 . 4 1 1 A 46 46 ASP CA C 46 56.974 57.548 -0.574 1
1 438 . 4 1 1 A 46 46 ASP CB C 46 41.498 40.201 1.297 1
1 439 . 4 1 1 A 46 46 ASP N N 46 117.060 117.457 -0.397 1
1 440 . 4 1 1 A 47 47 ARG H H 47 8.493 7.754 0.739 1
1 441 . 4 1 1 A 47 47 ARG HA H 47 3.754 4.045 -0.291 1
1 448 . 4 1 1 A 47 47 ARG C C 47 177.880 178.656 -0.776 1
1 449 . 4 1 1 A 47 47 ARG CA C 47 60.123 58.782 1.341 1
1 450 . 4 1 1 A 47 47 ARG CB C 47 30.355 29.810 0.545 1
1 453 . 4 1 1 A 47 47 ARG N N 47 122.143 120.353 1.790 1
1 454 . 4 1 1 A 48 48 ILE H H 48 8.219 7.648 0.571 1
1 455 . 4 1 1 A 48 48 ILE HA H 48 3.475 3.571 -0.096 1
1 465 . 4 1 1 A 48 48 ILE C C 48 178.026 177.755 0.271 1
1 466 . 4 1 1 A 48 48 ILE CA C 48 66.105 65.318 0.787 1
1 467 . 4 1 1 A 48 48 ILE CB C 48 38.440 37.742 0.698 1
1 471 . 4 1 1 A 48 48 ILE N N 48 119.888 119.676 0.212 1
1 472 . 4 1 1 A 49 49 ASP H H 49 7.775 8.464 -0.689 1
1 473 . 4 1 1 A 49 49 ASP HA H 49 4.406 4.274 0.132 1
1 476 . 4 1 1 A 49 49 ASP C C 49 178.900 178.074 0.826 1
1 477 . 4 1 1 A 49 49 ASP CA C 49 57.380 57.508 -0.128 1
1 478 . 4 1 1 A 49 49 ASP CB C 49 41.523 41.066 0.457 1
1 479 . 4 1 1 A 49 49 ASP N N 49 119.245 120.517 -1.272 1
1 480 . 4 1 1 A 50 50 LEU H H 50 8.344 7.976 0.368 1
1 481 . 4 1 1 A 50 50 LEU HA H 50 4.090 3.996 0.094 1
1 491 . 4 1 1 A 50 50 LEU C C 50 178.705 178.296 0.409 1
1 492 . 4 1 1 A 50 50 LEU CA C 50 57.651 58.386 -0.735 1
1 493 . 4 1 1 A 50 50 LEU CB C 50 42.526 41.986 0.540 1
1 497 . 4 1 1 A 50 50 LEU N N 50 121.649 120.378 1.271 1
1 498 . 4 1 1 A 51 51 ALA H H 51 8.513 8.276 0.237 1
1 499 . 4 1 1 A 51 51 ALA HA H 51 3.611 4.017 -0.406 1
1 503 . 4 1 1 A 51 51 ALA C C 51 179.749 179.660 0.089 1
1 504 . 4 1 1 A 51 51 ALA CA C 51 56.139 55.360 0.779 1
1 505 . 4 1 1 A 51 51 ALA CB C 51 17.519 18.531 -1.012 1
1 506 . 4 1 1 A 51 51 ALA N N 51 120.902 120.219 0.683 1
1 507 . 4 1 1 A 52 52 GLU H H 52 8.285 7.768 0.517 1
1 508 . 4 1 1 A 52 52 GLU HA H 52 4.097 4.058 0.039 1
1 513 . 4 1 1 A 52 52 GLU C C 52 180.114 178.743 1.371 1
1 514 . 4 1 1 A 52 52 GLU CA C 52 59.307 59.227 0.080 1
1 515 . 4 1 1 A 52 52 GLU CB C 52 29.408 29.805 -0.397 1
1 517 . 4 1 1 A 52 52 GLU N N 52 116.933 119.054 -2.121 1
1 518 . 4 1 1 A 53 53 SER H H 53 8.229 8.009 0.220 1
1 519 . 4 1 1 A 53 53 SER HA H 53 4.251 4.214 0.037 1
1 522 . 4 1 1 A 53 53 SER C C 53 176.059 176.768 -0.709 1
1 523 . 4 1 1 A 53 53 SER CA C 53 61.347 61.367 -0.020 1
1 524 . 4 1 1 A 53 53 SER CB C 53 63.235 63.023 0.212 1
1 525 . 4 1 1 A 53 53 SER N N 53 114.615 115.778 -1.163 1
1 526 . 4 1 1 A 54 54 LEU H H 54 7.675 7.767 -0.092 1
1 527 . 4 1 1 A 54 54 LEU HA H 54 4.513 4.309 0.204 1
1 537 . 4 1 1 A 54 54 LEU C C 54 177.516 177.029 0.487 1
1 538 . 4 1 1 A 54 54 LEU CA C 54 54.422 55.397 -0.975 1
1 539 . 4 1 1 A 54 54 LEU CB C 54 43.880 42.799 1.081 1
1 543 . 4 1 1 A 54 54 LEU N N 54 117.401 118.849 -1.448 1
1 544 . 4 1 1 A 55 55 GLY H H 55 7.941 8.040 -0.099 1
1 545 . 4 1 1 A 55 55 GLY HA2 H 55 3.982 4.005 -0.023 1
1 546 . 4 1 1 A 55 55 GLY HA3 H 55 4.026 4.005 0.021 1
1 547 . 4 1 1 A 55 55 GLY C C 55 174.360 174.283 0.077 1
1 548 . 4 1 1 A 55 55 GLY CA C 55 46.728 44.799 1.929 1
1 549 . 4 1 1 A 55 55 GLY N N 55 111.061 105.985 5.076 1
1 550 . 4 1 1 A 56 56 LEU H H 56 8.190 7.960 0.230 1
1 551 . 4 1 1 A 56 56 LEU HA H 56 4.803 4.594 0.209 1
1 561 . 4 1 1 A 56 56 LEU C C 56 175.914 175.775 0.139 1
1 562 . 4 1 1 A 56 56 LEU CA C 56 52.510 54.484 -1.974 1
1 563 . 4 1 1 A 56 56 LEU CB C 56 47.484 42.588 4.896 1
1 567 . 4 1 1 A 56 56 LEU N N 56 119.967 122.733 -2.766 1
1 568 . 4 1 1 A 57 57 SER H H 57 9.037 8.382 0.655 1
1 569 . 4 1 1 A 57 57 SER HA H 57 4.423 4.871 -0.448 1
1 572 . 4 1 1 A 57 57 SER C C 57 176.618 175.375 1.243 1
1 573 . 4 1 1 A 57 57 SER CA C 57 56.189 56.051 0.138 1
1 574 . 4 1 1 A 57 57 SER CB C 57 65.579 65.340 0.239 1
1 575 . 4 1 1 A 57 57 SER N N 57 115.098 115.822 -0.724 1
1 576 . 4 1 1 A 58 58 GLN HA H 58 3.741 3.972 -0.231 1
1 583 . 4 1 1 A 58 58 GLN C C 58 177.904 178.242 -0.338 1
1 584 . 4 1 1 A 58 58 GLN CA C 58 60.504 58.969 1.535 1
1 585 . 4 1 1 A 58 58 GLN CB C 58 28.365 28.186 0.179 1
1 588 . 4 1 1 A 59 59 LEU H H 59 8.207 8.025 0.182 1
1 589 . 4 1 1 A 59 59 LEU HA H 59 4.192 4.044 0.148 1
1 599 . 4 1 1 A 59 59 LEU C C 59 179.871 178.639 1.232 1
1 600 . 4 1 1 A 59 59 LEU CA C 59 57.878 58.328 -0.450 1
1 601 . 4 1 1 A 59 59 LEU CB C 59 41.747 41.934 -0.187 1
1 605 . 4 1 1 A 59 59 LEU N N 59 120.246 121.469 -1.223 1
1 606 . 4 1 1 A 60 60 GLN H H 60 8.125 8.343 -0.218 1
1 607 . 4 1 1 A 60 60 GLN HA H 60 4.214 4.174 0.040 1
1 614 . 4 1 1 A 60 60 GLN C C 60 179.434 178.685 0.749 1
1 615 . 4 1 1 A 60 60 GLN CA C 60 59.530 59.398 0.132 1
1 616 . 4 1 1 A 60 60 GLN CB C 60 29.651 28.582 1.069 1
1 618 . 4 1 1 A 60 60 GLN N N 60 120.637 118.044 2.593 1
1 620 . 4 1 1 A 61 61 VAL H H 61 7.717 7.670 0.047 1
1 621 . 4 1 1 A 61 61 VAL HA H 61 3.673 3.763 -0.090 1
1 629 . 4 1 1 A 61 61 VAL C C 61 176.982 177.836 -0.854 1
1 630 . 4 1 1 A 61 61 VAL CA C 61 67.670 66.934 0.736 1
1 631 . 4 1 1 A 61 61 VAL CB C 61 31.899 31.489 0.410 1
1 634 . 4 1 1 A 61 61 VAL N N 61 118.389 120.349 -1.960 1
1 635 . 4 1 1 A 62 62 LYS H H 62 8.578 7.877 0.701 1
1 636 . 4 1 1 A 62 62 LYS HA H 62 4.423 4.071 0.352 1
1 644 . 4 1 1 A 62 62 LYS C C 62 179.749 178.986 0.763 1
1 645 . 4 1 1 A 62 62 LYS CA C 62 59.821 59.888 -0.067 1
1 646 . 4 1 1 A 62 62 LYS CB C 62 33.793 32.487 1.306 1
1 650 . 4 1 1 A 62 62 LYS N N 62 120.540 120.530 0.010 1
1 651 . 4 1 1 A 63 63 THR H H 63 8.722 8.339 0.383 1
1 652 . 4 1 1 A 63 63 THR HA H 63 4.007 3.987 0.020 1
1 657 . 4 1 1 A 63 63 THR C C 63 176.059 176.714 -0.655 1
1 658 . 4 1 1 A 63 63 THR CA C 63 66.527 67.019 -0.492 1
1 659 . 4 1 1 A 63 63 THR CB C 63 69.236 68.676 0.560 1
1 661 . 4 1 1 A 63 63 THR N N 63 115.962 114.578 1.384 1
1 662 . 4 1 1 A 64 64 TRP H H 64 8.506 8.714 -0.208 1
1 663 . 4 1 1 A 64 64 TRP HA H 64 4.064 4.217 -0.153 1
1 672 . 4 1 1 A 64 64 TRP C C 64 179.264 178.014 1.250 1
1 673 . 4 1 1 A 64 64 TRP CA C 64 63.070 61.144 1.926 1
1 674 . 4 1 1 A 64 64 TRP CB C 64 29.048 29.690 -0.642 1
1 680 . 4 1 1 A 64 64 TRP N N 64 123.609 121.117 2.492 1
1 682 . 4 1 1 A 65 65 TYR H H 65 9.152 8.858 0.294 1
1 683 . 4 1 1 A 65 65 TYR HA H 65 3.660 4.472 -0.812 1
1 690 . 4 1 1 A 65 65 TYR C C 65 178.535 178.290 0.245 1
1 691 . 4 1 1 A 65 65 TYR CA C 65 63.749 61.765 1.984 1
1 692 . 4 1 1 A 65 65 TYR CB C 65 39.082 38.499 0.583 1
1 697 . 4 1 1 A 65 65 TYR N N 65 121.400 118.821 2.579 1
1 698 . 4 1 1 A 66 66 GLN H H 66 7.981 8.265 -0.284 1
1 699 . 4 1 1 A 66 66 GLN HA H 66 4.036 4.160 -0.124 1
1 706 . 4 1 1 A 66 66 GLN C C 66 179.045 178.633 0.412 1
1 707 . 4 1 1 A 66 66 GLN CA C 66 59.255 59.093 0.162 1
1 708 . 4 1 1 A 66 66 GLN CB C 66 28.207 28.625 -0.418 1
1 710 . 4 1 1 A 66 66 GLN N N 66 116.821 119.433 -2.612 1
1 712 . 4 1 1 A 67 67 ASN H H 67 7.862 8.219 -0.357 1
1 713 . 4 1 1 A 67 67 ASN HA H 67 4.367 4.460 -0.093 1
1 718 . 4 1 1 A 67 67 ASN C C 67 177.759 178.164 -0.405 1
1 719 . 4 1 1 A 67 67 ASN CA C 67 55.852 56.492 -0.640 1
1 720 . 4 1 1 A 67 67 ASN CB C 67 38.119 37.971 0.148 1
1 721 . 4 1 1 A 67 67 ASN N N 67 118.257 118.331 -0.074 1
1 723 . 4 1 1 A 68 68 ARG H H 68 8.533 7.938 0.595 1
1 724 . 4 1 1 A 68 68 ARG HA H 68 3.430 3.579 -0.149 1
1 732 . 4 1 1 A 68 68 ARG C C 68 179.992 179.154 0.838 1
1 733 . 4 1 1 A 68 68 ARG CA C 68 56.391 59.637 -3.246 1
1 734 . 4 1 1 A 68 68 ARG CB C 68 27.959 29.166 -1.207 1
1 737 . 4 1 1 A 68 68 ARG N N 68 123.922 118.825 5.097 1
1 739 . 4 1 1 A 69 69 ARG H H 69 8.226 8.272 -0.046 1
1 740 . 4 1 1 A 69 69 ARG HA H 69 4.357 4.217 0.140 1
1 747 . 4 1 1 A 69 69 ARG C C 69 178.535 179.016 -0.481 1
1 748 . 4 1 1 A 69 69 ARG CA C 69 60.681 59.543 1.138 1
1 749 . 4 1 1 A 69 69 ARG CB C 69 31.938 30.158 1.780 1
1 752 . 4 1 1 A 69 69 ARG N N 69 118.839 119.379 -0.540 1
1 753 . 4 1 1 A 70 70 MET H H 70 7.480 7.832 -0.352 1
1 754 . 4 1 1 A 70 70 MET HA H 70 4.287 4.112 0.175 1
1 762 . 4 1 1 A 70 70 MET C C 70 178.098 178.216 -0.118 1
1 763 . 4 1 1 A 70 70 MET CA C 70 58.381 59.089 -0.708 1
1 764 . 4 1 1 A 70 70 MET CB C 70 32.011 32.424 -0.413 1
1 767 . 4 1 1 A 70 70 MET N N 70 118.164 119.654 -1.490 1
1 768 . 4 1 1 A 71 71 LYS H H 71 7.298 7.886 -0.588 1
1 769 . 4 1 1 A 71 71 LYS HA H 71 4.086 4.070 0.016 1
1 778 . 4 1 1 A 71 71 LYS C C 71 177.831 178.909 -1.078 1
1 779 . 4 1 1 A 71 71 LYS CA C 71 58.324 58.691 -0.367 1
1 780 . 4 1 1 A 71 71 LYS CB C 71 32.732 32.451 0.281 1
1 784 . 4 1 1 A 71 71 LYS N N 71 118.798 119.583 -0.785 1
1 785 . 4 1 1 A 72 72 TRP H H 72 7.952 7.972 -0.020 1
1 786 . 4 1 1 A 72 72 TRP HA H 72 4.721 4.259 0.462 1
1 795 . 4 1 1 A 72 72 TRP C C 72 177.152 176.111 1.041 1
1 796 . 4 1 1 A 72 72 TRP CA C 72 58.506 60.707 -2.201 1
1 797 . 4 1 1 A 72 72 TRP CB C 72 29.602 29.484 0.118 1
1 803 . 4 1 1 A 72 72 TRP N N 72 121.455 122.153 -0.698 1
1 805 . 4 1 1 A 73 73 LYS H H 73 8.241 8.349 -0.108 1
1 806 . 4 1 1 A 73 73 LYS HA H 73 3.781 3.198 0.583 1
1 815 . 4 1 1 A 73 73 LYS C C 73 176.957 175.861 1.096 1
1 816 . 4 1 1 A 73 73 LYS CA C 73 57.074 56.155 0.919 1
1 817 . 4 1 1 A 73 73 LYS CB C 73 32.567 32.860 -0.293 1
1 821 . 4 1 1 A 73 73 LYS N N 73 120.065 116.162 3.903 1
1 822 . 4 1 1 A 74 74 LYS H H 74 7.705 8.618 -0.913 1
1 823 . 4 1 1 A 74 74 LYS HA H 74 4.154 4.339 -0.185 1
1 830 . 4 1 1 A 74 74 LYS C C 74 176.836 175.964 0.872 1
1 831 . 4 1 1 A 74 74 LYS CA C 74 57.028 57.433 -0.405 1
1 832 . 4 1 1 A 74 74 LYS CB C 74 32.402 35.265 -2.863 1
1 836 . 4 1 1 A 74 74 LYS N N 74 120.036 122.883 -2.847 1
1 837 . 4 1 1 A 75 75 SER H H 75 7.986 7.680 0.306 1
1 838 . 4 1 1 A 75 75 SER HA H 75 4.470 4.389 0.081 1
1 841 . 4 1 1 A 75 75 SER C C 75 174.530 174.756 -0.226 1
1 842 . 4 1 1 A 75 75 SER CA C 75 58.786 57.874 0.912 1
1 843 . 4 1 1 A 75 75 SER CB C 75 63.975 64.479 -0.504 1
1 844 . 4 1 1 A 75 75 SER N N 75 115.488 110.961 4.527 1
1 845 . 4 1 1 A 76 76 GLY H H 76 8.040 8.935 -0.895 1
1 846 . 4 1 1 A 76 76 GLY HA2 H 76 4.076 3.910 0.166 1
1 847 . 4 1 1 A 76 76 GLY HA3 H 76 4.099 3.912 0.187 1
1 848 . 4 1 1 A 76 76 GLY C C 76 171.835 175.602 -3.767 1
1 849 . 4 1 1 A 76 76 GLY CA C 76 44.789 46.939 -2.150 1
1 850 . 4 1 1 A 76 76 GLY N N 76 110.454 111.098 -0.644 1
1 851 . 4 1 1 A 77 77 PRO HA H 77 4.456 4.235 0.221 1
1 856 . 4 1 1 A 77 77 PRO CA C 77 63.323 65.076 -1.753 1
1 857 . 4 1 1 A 77 77 PRO CB C 77 32.209 31.825 0.384 1
1 860 . 4 1 1 A 79 79 SER HA H 79 4.506 4.914 -0.408 1
1 863 . 4 1 1 A 79 79 SER C C 79 173.947 174.618 -0.671 1
1 864 . 4 1 1 A 79 79 SER CA C 79 58.433 57.030 1.403 1
1 865 . 4 1 1 A 79 79 SER CB C 79 63.960 66.016 -2.056 1
1 1 . 5 1 1 A 7 7 GLY HA2 H 7 4.014 4.417 -0.403 1
1 2 . 5 1 1 A 7 7 GLY HA3 H 7 4.014 4.418 -0.404 1
1 3 . 5 1 1 A 7 7 GLY C C 7 174.578 172.930 1.648 1
1 4 . 5 1 1 A 7 7 GLY CA C 7 45.445 45.374 0.071 1
1 5 . 5 1 1 A 8 8 GLY H H 8 8.219 8.650 -0.431 1
1 6 . 5 1 1 A 8 8 GLY HA2 H 8 3.959 4.240 -0.281 1
1 7 . 5 1 1 A 8 8 GLY HA3 H 8 3.959 4.241 -0.282 1
1 8 . 5 1 1 A 8 8 GLY C C 8 173.898 174.027 -0.129 1
1 9 . 5 1 1 A 8 8 GLY CA C 8 44.923 45.443 -0.520 1
1 10 . 5 1 1 A 8 8 GLY N N 8 108.655 107.735 0.920 1
1 11 . 5 1 1 A 9 9 GLU H H 9 8.378 8.222 0.156 1
1 12 . 5 1 1 A 9 9 GLU HA H 9 4.586 5.000 -0.414 1
1 16 . 5 1 1 A 9 9 GLU C C 9 175.015 173.809 1.206 1
1 17 . 5 1 1 A 9 9 GLU CA C 9 54.661 53.758 0.903 1
1 18 . 5 1 1 A 9 9 GLU CB C 9 29.534 30.426 -0.892 1
1 20 . 5 1 1 A 9 9 GLU N N 9 121.838 120.741 1.097 1
1 21 . 5 1 1 A 10 10 PRO HA H 10 4.428 4.627 -0.199 1
1 28 . 5 1 1 A 10 10 PRO C C 10 177.856 177.119 0.737 1
1 29 . 5 1 1 A 10 10 PRO CA C 10 63.767 63.166 0.601 1
1 30 . 5 1 1 A 10 10 PRO CB C 10 32.080 32.942 -0.862 1
1 33 . 5 1 1 A 11 11 GLY H H 11 8.556 8.733 -0.177 1
1 34 . 5 1 1 A 11 11 GLY HA2 H 11 3.997 4.119 -0.122 1
1 35 . 5 1 1 A 11 11 GLY HA3 H 11 3.997 4.123 -0.126 1
1 36 . 5 1 1 A 11 11 GLY C C 11 174.724 173.476 1.248 1
1 37 . 5 1 1 A 11 11 GLY CA C 11 45.529 45.653 -0.124 1
1 38 . 5 1 1 A 11 11 GLY N N 11 108.931 110.359 -1.428 1
1 39 . 5 1 1 A 12 12 THR H H 12 7.973 7.633 0.340 1
1 40 . 5 1 1 A 12 12 THR HA H 12 4.306 4.904 -0.598 1
1 45 . 5 1 1 A 12 12 THR C C 12 174.942 173.917 1.025 1
1 46 . 5 1 1 A 12 12 THR CA C 12 62.240 60.297 1.943 1
1 47 . 5 1 1 A 12 12 THR CB C 12 69.882 71.918 -2.036 1
1 49 . 5 1 1 A 12 12 THR N N 12 113.454 108.923 4.531 1
1 50 . 5 1 1 A 13 13 LYS H H 13 8.313 8.864 -0.551 1
1 51 . 5 1 1 A 13 13 LYS HA H 13 4.281 3.942 0.339 1
1 58 . 5 1 1 A 13 13 LYS C C 13 176.520 175.610 0.910 1
1 59 . 5 1 1 A 13 13 LYS CA C 13 56.565 57.358 -0.793 1
1 60 . 5 1 1 A 13 13 LYS CB C 13 32.590 31.478 1.112 1
1 64 . 5 1 1 A 13 13 LYS N N 13 123.479 121.137 2.342 1
1 65 . 5 1 1 A 14 14 ALA H H 14 8.192 7.799 0.393 1
1 66 . 5 1 1 A 14 14 ALA HA H 14 4.272 4.397 -0.125 1
1 70 . 5 1 1 A 14 14 ALA C C 14 177.807 176.802 1.005 1
1 71 . 5 1 1 A 14 14 ALA CA C 14 52.581 51.518 1.063 1
1 72 . 5 1 1 A 14 14 ALA CB C 14 19.258 19.454 -0.196 1
1 73 . 5 1 1 A 14 14 ALA N N 14 124.692 120.570 4.122 1
1 74 . 5 1 1 A 15 15 LYS H H 15 8.264 8.698 -0.434 1
1 75 . 5 1 1 A 15 15 LYS HA H 15 4.296 4.758 -0.462 1
1 81 . 5 1 1 A 15 15 LYS C C 15 176.812 175.951 0.861 1
1 82 . 5 1 1 A 15 15 LYS CA C 15 56.403 54.888 1.515 1
1 83 . 5 1 1 A 15 15 LYS CB C 15 32.979 35.569 -2.590 1
1 87 . 5 1 1 A 15 15 LYS N N 15 120.979 124.151 -3.172 1
1 88 . 5 1 1 A 16 16 LYS H H 16 8.330 8.798 -0.468 1
1 89 . 5 1 1 A 16 16 LYS HA H 16 4.289 4.439 -0.150 1
1 93 . 5 1 1 A 16 16 LYS C C 16 177.103 176.919 0.184 1
1 94 . 5 1 1 A 16 16 LYS CB C 16 33.072 34.458 -1.386 1
1 98 . 5 1 1 A 16 16 LYS N N 16 122.581 124.111 -1.530 1
1 99 . 5 1 1 A 22 22 THR HA H 22 4.294 4.102 0.192 1
1 104 . 5 1 1 A 22 22 THR C C 22 174.020 174.649 -0.629 1
1 105 . 5 1 1 A 22 22 THR CA C 22 61.928 62.342 -0.414 1
1 106 . 5 1 1 A 22 22 THR CB C 22 69.730 69.599 0.131 1
1 108 . 5 1 1 A 23 23 VAL H H 23 8.087 8.147 -0.060 1
1 109 . 5 1 1 A 23 23 VAL HA H 23 4.112 4.360 -0.248 1
1 117 . 5 1 1 A 23 23 VAL C C 23 175.646 175.423 0.223 1
1 118 . 5 1 1 A 23 23 VAL CA C 23 62.011 61.005 1.006 1
1 119 . 5 1 1 A 23 23 VAL CB C 23 33.060 31.946 1.114 1
1 122 . 5 1 1 A 23 23 VAL N N 23 123.252 125.627 -2.375 1
1 123 . 5 1 1 A 24 24 PHE H H 24 8.220 7.707 0.513 1
1 124 . 5 1 1 A 24 24 PHE HA H 24 4.976 4.889 0.087 1
1 132 . 5 1 1 A 24 24 PHE C C 24 176.739 175.431 1.308 1
1 133 . 5 1 1 A 24 24 PHE CA C 24 56.389 58.338 -1.949 1
1 134 . 5 1 1 A 24 24 PHE CB C 24 40.492 39.942 0.550 1
1 140 . 5 1 1 A 24 24 PHE N N 24 123.332 122.585 0.747 1
1 141 . 5 1 1 A 25 25 THR H H 25 9.003 8.648 0.355 1
1 142 . 5 1 1 A 25 25 THR HA H 25 4.470 4.941 -0.471 1
1 147 . 5 1 1 A 25 25 THR C C 25 175.209 176.159 -0.950 1
1 148 . 5 1 1 A 25 25 THR CA C 25 60.598 59.547 1.051 1
1 149 . 5 1 1 A 25 25 THR CB C 25 70.801 71.673 -0.872 1
1 151 . 5 1 1 A 25 25 THR N N 25 113.078 113.691 -0.613 1
1 152 . 5 1 1 A 26 26 GLU H H 26 8.991 9.054 -0.063 1
1 153 . 5 1 1 A 26 26 GLU HA H 26 4.036 3.983 0.053 1
1 158 . 5 1 1 A 26 26 GLU C C 26 179.118 178.743 0.375 1
1 159 . 5 1 1 A 26 26 GLU CA C 26 60.222 59.838 0.384 1
1 160 . 5 1 1 A 26 26 GLU CB C 26 29.271 29.300 -0.029 1
1 162 . 5 1 1 A 26 26 GLU N N 26 120.978 122.395 -1.417 1
1 163 . 5 1 1 A 27 27 LEU H H 27 8.120 8.021 0.099 1
1 164 . 5 1 1 A 27 27 LEU HA H 27 4.117 4.033 0.084 1
1 174 . 5 1 1 A 27 27 LEU C C 27 180.623 178.770 1.853 1
1 175 . 5 1 1 A 27 27 LEU CA C 27 58.187 58.136 0.051 1
1 176 . 5 1 1 A 27 27 LEU CB C 27 42.220 41.892 0.328 1
1 180 . 5 1 1 A 27 27 LEU N N 27 118.897 121.350 -2.453 1
1 181 . 5 1 1 A 28 28 GLN H H 28 7.733 7.999 -0.266 1
1 182 . 5 1 1 A 28 28 GLN HA H 28 3.864 3.949 -0.085 1
1 189 . 5 1 1 A 28 28 GLN C C 28 177.492 178.765 -1.273 1
1 190 . 5 1 1 A 28 28 GLN CA C 28 59.212 58.814 0.398 1
1 191 . 5 1 1 A 28 28 GLN CB C 28 27.740 28.236 -0.496 1
1 193 . 5 1 1 A 28 28 GLN N N 28 119.947 117.693 2.254 1
1 195 . 5 1 1 A 29 29 LEU H H 29 8.336 8.344 -0.008 1
1 196 . 5 1 1 A 29 29 LEU HA H 29 3.665 3.826 -0.161 1
1 206 . 5 1 1 A 29 29 LEU C C 29 179.118 178.665 0.453 1
1 207 . 5 1 1 A 29 29 LEU CA C 29 58.068 57.857 0.211 1
1 208 . 5 1 1 A 29 29 LEU CB C 29 41.582 41.708 -0.126 1
1 212 . 5 1 1 A 29 29 LEU N N 29 118.154 119.872 -1.718 1
1 213 . 5 1 1 A 30 30 MET H H 30 8.282 8.154 0.128 1
1 214 . 5 1 1 A 30 30 MET HA H 30 4.118 4.023 0.095 1
1 222 . 5 1 1 A 30 30 MET C C 30 179.070 178.672 0.398 1
1 223 . 5 1 1 A 30 30 MET CA C 30 58.583 58.683 -0.100 1
1 224 . 5 1 1 A 30 30 MET CB C 30 32.665 32.301 0.364 1
1 227 . 5 1 1 A 30 30 MET N N 30 117.314 118.698 -1.384 1
1 228 . 5 1 1 A 31 31 GLY H H 31 7.904 8.194 -0.290 1
1 229 . 5 1 1 A 31 31 GLY HA2 H 31 3.787 3.586 0.201 1
1 230 . 5 1 1 A 31 31 GLY HA3 H 31 3.631 3.606 0.025 1
1 231 . 5 1 1 A 31 31 GLY C C 31 176.618 175.736 0.882 1
1 232 . 5 1 1 A 31 31 GLY CA C 31 47.231 47.289 -0.058 1
1 233 . 5 1 1 A 31 31 GLY N N 31 107.053 106.893 0.160 1
1 234 . 5 1 1 A 32 32 LEU H H 32 7.982 8.193 -0.211 1
1 235 . 5 1 1 A 32 32 LEU HA H 32 3.577 3.739 -0.162 1
1 245 . 5 1 1 A 32 32 LEU C C 32 177.564 178.774 -1.210 1
1 246 . 5 1 1 A 32 32 LEU CA C 32 58.318 57.497 0.821 1
1 247 . 5 1 1 A 32 32 LEU CB C 32 38.280 40.554 -2.274 1
1 251 . 5 1 1 A 32 32 LEU N N 32 125.323 122.305 3.018 1
1 252 . 5 1 1 A 33 33 GLU H H 33 8.054 8.022 0.032 1
1 253 . 5 1 1 A 33 33 GLU HA H 33 4.283 3.973 0.310 1
1 258 . 5 1 1 A 33 33 GLU C C 33 180.041 179.278 0.763 1
1 259 . 5 1 1 A 33 33 GLU CA C 33 59.157 59.828 -0.671 1
1 260 . 5 1 1 A 33 33 GLU CB C 33 29.155 29.593 -0.438 1
1 262 . 5 1 1 A 33 33 GLU N N 33 118.448 117.494 0.954 1
1 263 . 5 1 1 A 34 34 LYS H H 34 8.229 7.969 0.260 1
1 264 . 5 1 1 A 34 34 LYS HA H 34 4.099 3.962 0.137 1
1 271 . 5 1 1 A 34 34 LYS C C 34 179.822 179.288 0.534 1
1 272 . 5 1 1 A 34 34 LYS CA C 34 58.789 59.766 -0.977 1
1 273 . 5 1 1 A 34 34 LYS CB C 34 32.073 32.565 -0.492 1
1 277 . 5 1 1 A 34 34 LYS N N 34 118.230 120.795 -2.565 1
1 278 . 5 1 1 A 35 35 ARG H H 35 7.560 7.657 -0.097 1
1 279 . 5 1 1 A 35 35 ARG HA H 35 4.190 4.057 0.133 1
1 286 . 5 1 1 A 35 35 ARG C C 35 178.001 178.687 -0.686 1
1 287 . 5 1 1 A 35 35 ARG CA C 35 57.095 59.417 -2.322 1
1 288 . 5 1 1 A 35 35 ARG CB C 35 28.882 29.990 -1.108 1
1 291 . 5 1 1 A 35 35 ARG N N 35 120.162 118.421 1.741 1
1 292 . 5 1 1 A 36 36 PHE H H 36 8.810 8.361 0.449 1
1 293 . 5 1 1 A 36 36 PHE HA H 36 4.227 3.878 0.349 1
1 301 . 5 1 1 A 36 36 PHE C C 36 176.520 177.108 -0.588 1
1 302 . 5 1 1 A 36 36 PHE CA C 36 60.886 61.632 -0.746 1
1 303 . 5 1 1 A 36 36 PHE CB C 36 39.333 39.043 0.290 1
1 309 . 5 1 1 A 36 36 PHE N N 36 122.860 120.492 2.368 1
1 310 . 5 1 1 A 37 37 GLU H H 37 7.772 8.439 -0.667 1
1 311 . 5 1 1 A 37 37 GLU HA H 37 3.701 3.957 -0.256 1
1 316 . 5 1 1 A 37 37 GLU C C 37 177.297 179.058 -1.761 1
1 317 . 5 1 1 A 37 37 GLU CA C 37 59.036 59.911 -0.875 1
1 318 . 5 1 1 A 37 37 GLU CB C 37 29.981 29.344 0.637 1
1 320 . 5 1 1 A 37 37 GLU N N 37 116.313 117.692 -1.379 1
1 321 . 5 1 1 A 38 38 LYS H H 38 7.005 7.739 -0.734 1
1 322 . 5 1 1 A 38 38 LYS HA H 38 4.280 4.150 0.130 1
1 329 . 5 1 1 A 38 38 LYS C C 38 177.079 176.956 0.123 1
1 330 . 5 1 1 A 38 38 LYS CA C 38 56.741 59.144 -2.403 1
1 331 . 5 1 1 A 38 38 LYS CB C 38 34.301 32.489 1.812 1
1 335 . 5 1 1 A 38 38 LYS N N 38 114.632 119.966 -5.334 1
1 336 . 5 1 1 A 39 39 GLN H H 39 8.641 8.301 0.340 1
1 337 . 5 1 1 A 39 39 GLN HA H 39 4.509 4.508 0.001 1
1 344 . 5 1 1 A 39 39 GLN C C 39 173.340 175.708 -2.368 1
1 345 . 5 1 1 A 39 39 GLN CA C 39 55.527 54.490 1.037 1
1 346 . 5 1 1 A 39 39 GLN CB C 39 31.827 29.451 2.376 1
1 348 . 5 1 1 A 39 39 GLN N N 39 120.830 118.048 2.782 1
1 350 . 5 1 1 A 40 40 LYS H H 40 8.474 8.556 -0.082 1
1 351 . 5 1 1 A 40 40 LYS HA H 40 3.598 3.332 0.266 1
1 360 . 5 1 1 A 40 40 LYS C C 40 174.530 175.581 -1.051 1
1 361 . 5 1 1 A 40 40 LYS CA C 40 56.459 58.798 -2.339 1
1 362 . 5 1 1 A 40 40 LYS CB C 40 32.276 31.886 0.390 1
1 366 . 5 1 1 A 40 40 LYS N N 40 125.122 125.957 -0.835 1
1 367 . 5 1 1 A 41 41 TYR H H 41 7.513 7.710 -0.197 1
1 368 . 5 1 1 A 41 41 TYR HA H 41 4.537 5.090 -0.553 1
1 375 . 5 1 1 A 41 41 TYR C C 41 174.700 174.306 0.394 1
1 376 . 5 1 1 A 41 41 TYR CA C 41 56.743 56.350 0.393 1
1 377 . 5 1 1 A 41 41 TYR CB C 41 41.274 43.193 -1.919 1
1 382 . 5 1 1 A 41 41 TYR N N 41 113.703 115.930 -2.227 1
1 383 . 5 1 1 A 42 42 LEU H H 42 8.544 8.819 -0.275 1
1 384 . 5 1 1 A 42 42 LEU HA H 42 4.610 4.821 -0.211 1
1 394 . 5 1 1 A 42 42 LEU C C 42 177.273 176.291 0.982 1
1 395 . 5 1 1 A 42 42 LEU CA C 42 53.408 53.528 -0.120 1
1 396 . 5 1 1 A 42 42 LEU CB C 42 44.040 45.690 -1.650 1
1 400 . 5 1 1 A 42 42 LEU N N 42 123.003 120.872 2.131 1
1 401 . 5 1 1 A 43 43 SER H H 43 8.651 8.757 -0.106 1
1 402 . 5 1 1 A 43 43 SER HA H 43 4.621 4.495 0.126 1
1 405 . 5 1 1 A 43 43 SER C C 43 174.530 175.919 -1.389 1
1 406 . 5 1 1 A 43 43 SER CA C 43 57.053 58.575 -1.522 1
1 407 . 5 1 1 A 43 43 SER CB C 43 64.786 64.521 0.265 1
1 408 . 5 1 1 A 43 43 SER N N 43 118.850 118.676 0.174 1
1 409 . 5 1 1 A 44 44 THR H H 44 9.159 8.743 0.416 1
1 410 . 5 1 1 A 44 44 THR HA H 44 4.428 3.996 0.432 1
1 415 . 5 1 1 A 44 44 THR C C 44 175.428 173.684 1.744 1
1 416 . 5 1 1 A 44 44 THR CA C 44 66.563 67.527 -0.964 1
1 417 . 5 1 1 A 44 44 THR CB C 44 69.210 67.183 2.027 1
1 419 . 5 1 1 A 44 44 THR N N 44 117.903 116.795 1.108 1
1 420 . 5 1 1 A 45 45 PRO HA H 45 4.188 4.296 -0.108 1
1 427 . 5 1 1 A 45 45 PRO C C 45 179.312 178.803 0.509 1
1 428 . 5 1 1 A 45 45 PRO CA C 45 66.163 66.285 -0.122 1
1 429 . 5 1 1 A 45 45 PRO CB C 45 30.975 30.537 0.438 1
1 432 . 5 1 1 A 46 46 ASP H H 46 7.289 8.400 -1.111 1
1 433 . 5 1 1 A 46 46 ASP HA H 46 4.387 4.288 0.099 1
1 436 . 5 1 1 A 46 46 ASP C C 46 178.390 178.540 -0.150 1
1 437 . 5 1 1 A 46 46 ASP CA C 46 56.974 57.535 -0.561 1
1 438 . 5 1 1 A 46 46 ASP CB C 46 41.498 40.113 1.385 1
1 439 . 5 1 1 A 46 46 ASP N N 46 117.060 117.441 -0.381 1
1 440 . 5 1 1 A 47 47 ARG H H 47 8.493 7.530 0.963 1
1 441 . 5 1 1 A 47 47 ARG HA H 47 3.754 4.008 -0.254 1
1 448 . 5 1 1 A 47 47 ARG C C 47 177.880 178.682 -0.802 1
1 449 . 5 1 1 A 47 47 ARG CA C 47 60.123 58.669 1.454 1
1 450 . 5 1 1 A 47 47 ARG CB C 47 30.355 30.038 0.317 1
1 453 . 5 1 1 A 47 47 ARG N N 47 122.143 120.304 1.839 1
1 454 . 5 1 1 A 48 48 ILE H H 48 8.219 7.965 0.254 1
1 455 . 5 1 1 A 48 48 ILE HA H 48 3.475 3.525 -0.050 1
1 465 . 5 1 1 A 48 48 ILE C C 48 178.026 177.733 0.293 1
1 466 . 5 1 1 A 48 48 ILE CA C 48 66.105 65.348 0.757 1
1 467 . 5 1 1 A 48 48 ILE CB C 48 38.440 38.140 0.300 1
1 471 . 5 1 1 A 48 48 ILE N N 48 119.888 120.053 -0.165 1
1 472 . 5 1 1 A 49 49 ASP H H 49 7.775 8.340 -0.565 1
1 473 . 5 1 1 A 49 49 ASP HA H 49 4.406 4.274 0.132 1
1 476 . 5 1 1 A 49 49 ASP C C 49 178.900 178.151 0.749 1
1 477 . 5 1 1 A 49 49 ASP CA C 49 57.380 57.481 -0.101 1
1 478 . 5 1 1 A 49 49 ASP CB C 49 41.523 41.415 0.108 1
1 479 . 5 1 1 A 49 49 ASP N N 49 119.245 120.283 -1.038 1
1 480 . 5 1 1 A 50 50 LEU H H 50 8.344 7.926 0.418 1
1 481 . 5 1 1 A 50 50 LEU HA H 50 4.090 4.032 0.058 1
1 491 . 5 1 1 A 50 50 LEU C C 50 178.705 178.252 0.453 1
1 492 . 5 1 1 A 50 50 LEU CA C 50 57.651 58.221 -0.570 1
1 493 . 5 1 1 A 50 50 LEU CB C 50 42.526 41.972 0.554 1
1 497 . 5 1 1 A 50 50 LEU N N 50 121.649 120.355 1.294 1
1 498 . 5 1 1 A 51 51 ALA H H 51 8.513 8.524 -0.011 1
1 499 . 5 1 1 A 51 51 ALA HA H 51 3.611 3.963 -0.352 1
1 503 . 5 1 1 A 51 51 ALA C C 51 179.749 179.800 -0.051 1
1 504 . 5 1 1 A 51 51 ALA CA C 51 56.139 55.071 1.068 1
1 505 . 5 1 1 A 51 51 ALA CB C 51 17.519 18.379 -0.860 1
1 506 . 5 1 1 A 51 51 ALA N N 51 120.902 120.214 0.688 1
1 507 . 5 1 1 A 52 52 GLU H H 52 8.285 7.767 0.518 1
1 508 . 5 1 1 A 52 52 GLU HA H 52 4.097 4.138 -0.041 1
1 513 . 5 1 1 A 52 52 GLU C C 52 180.114 178.967 1.147 1
1 514 . 5 1 1 A 52 52 GLU CA C 52 59.307 58.984 0.323 1
1 515 . 5 1 1 A 52 52 GLU CB C 52 29.408 29.025 0.383 1
1 517 . 5 1 1 A 52 52 GLU N N 52 116.933 118.729 -1.796 1
1 518 . 5 1 1 A 53 53 SER H H 53 8.229 8.174 0.055 1
1 519 . 5 1 1 A 53 53 SER HA H 53 4.251 4.271 -0.020 1
1 522 . 5 1 1 A 53 53 SER C C 53 176.059 176.324 -0.265 1
1 523 . 5 1 1 A 53 53 SER CA C 53 61.347 61.269 0.078 1
1 524 . 5 1 1 A 53 53 SER CB C 53 63.235 62.878 0.357 1
1 525 . 5 1 1 A 53 53 SER N N 53 114.615 115.875 -1.260 1
1 526 . 5 1 1 A 54 54 LEU H H 54 7.675 7.667 0.008 1
1 527 . 5 1 1 A 54 54 LEU HA H 54 4.513 4.335 0.178 1
1 537 . 5 1 1 A 54 54 LEU C C 54 177.516 177.292 0.224 1
1 538 . 5 1 1 A 54 54 LEU CA C 54 54.422 55.340 -0.918 1
1 539 . 5 1 1 A 54 54 LEU CB C 54 43.880 42.718 1.162 1
1 543 . 5 1 1 A 54 54 LEU N N 54 117.401 118.674 -1.273 1
1 544 . 5 1 1 A 55 55 GLY H H 55 7.941 8.234 -0.293 1
1 545 . 5 1 1 A 55 55 GLY HA2 H 55 3.982 3.919 0.063 1
1 546 . 5 1 1 A 55 55 GLY HA3 H 55 4.026 3.921 0.105 1
1 547 . 5 1 1 A 55 55 GLY C C 55 174.360 174.451 -0.091 1
1 548 . 5 1 1 A 55 55 GLY CA C 55 46.728 46.115 0.613 1
1 549 . 5 1 1 A 55 55 GLY N N 55 111.061 106.581 4.480 1
1 550 . 5 1 1 A 56 56 LEU H H 56 8.190 8.082 0.108 1
1 551 . 5 1 1 A 56 56 LEU HA H 56 4.803 4.806 -0.003 1
1 561 . 5 1 1 A 56 56 LEU C C 56 175.914 175.772 0.142 1
1 562 . 5 1 1 A 56 56 LEU CA C 56 52.510 53.437 -0.927 1
1 563 . 5 1 1 A 56 56 LEU CB C 56 47.484 42.968 4.516 1
1 567 . 5 1 1 A 56 56 LEU N N 56 119.967 121.455 -1.488 1
1 568 . 5 1 1 A 57 57 SER H H 57 9.037 9.001 0.036 1
1 569 . 5 1 1 A 57 57 SER HA H 57 4.423 4.717 -0.294 1
1 572 . 5 1 1 A 57 57 SER C C 57 176.618 175.304 1.314 1
1 573 . 5 1 1 A 57 57 SER CA C 57 56.189 58.037 -1.848 1
1 574 . 5 1 1 A 57 57 SER CB C 57 65.579 64.347 1.232 1
1 575 . 5 1 1 A 57 57 SER N N 57 115.098 117.299 -2.201 1
1 576 . 5 1 1 A 58 58 GLN HA H 58 3.741 3.950 -0.209 1
1 583 . 5 1 1 A 58 58 GLN C C 58 177.904 178.240 -0.336 1
1 584 . 5 1 1 A 58 58 GLN CA C 58 60.504 59.260 1.244 1
1 585 . 5 1 1 A 58 58 GLN CB C 58 28.365 28.364 0.001 1
1 588 . 5 1 1 A 59 59 LEU H H 59 8.207 8.161 0.046 1
1 589 . 5 1 1 A 59 59 LEU HA H 59 4.192 4.121 0.071 1
1 599 . 5 1 1 A 59 59 LEU C C 59 179.871 178.882 0.989 1
1 600 . 5 1 1 A 59 59 LEU CA C 59 57.878 57.756 0.122 1
1 601 . 5 1 1 A 59 59 LEU CB C 59 41.747 41.575 0.172 1
1 605 . 5 1 1 A 59 59 LEU N N 59 120.246 121.766 -1.520 1
1 606 . 5 1 1 A 60 60 GLN H H 60 8.125 8.646 -0.521 1
1 607 . 5 1 1 A 60 60 GLN HA H 60 4.214 4.210 0.004 1
1 614 . 5 1 1 A 60 60 GLN C C 60 179.434 178.828 0.606 1
1 615 . 5 1 1 A 60 60 GLN CA C 60 59.530 58.941 0.589 1
1 616 . 5 1 1 A 60 60 GLN CB C 60 29.651 28.752 0.899 1
1 618 . 5 1 1 A 60 60 GLN N N 60 120.637 118.439 2.198 1
1 620 . 5 1 1 A 61 61 VAL H H 61 7.717 8.161 -0.444 1
1 621 . 5 1 1 A 61 61 VAL HA H 61 3.673 3.803 -0.130 1
1 629 . 5 1 1 A 61 61 VAL C C 61 176.982 177.902 -0.920 1
1 630 . 5 1 1 A 61 61 VAL CA C 61 67.670 67.157 0.513 1
1 631 . 5 1 1 A 61 61 VAL CB C 61 31.899 31.492 0.407 1
1 634 . 5 1 1 A 61 61 VAL N N 61 118.389 120.180 -1.791 1
1 635 . 5 1 1 A 62 62 LYS H H 62 8.578 7.879 0.699 1
1 636 . 5 1 1 A 62 62 LYS HA H 62 4.423 4.066 0.357 1
1 644 . 5 1 1 A 62 62 LYS C C 62 179.749 179.022 0.727 1
1 645 . 5 1 1 A 62 62 LYS CA C 62 59.821 59.828 -0.007 1
1 646 . 5 1 1 A 62 62 LYS CB C 62 33.793 32.489 1.304 1
1 650 . 5 1 1 A 62 62 LYS N N 62 120.540 120.398 0.142 1
1 651 . 5 1 1 A 63 63 THR H H 63 8.722 8.437 0.285 1
1 652 . 5 1 1 A 63 63 THR HA H 63 4.007 4.001 0.006 1
1 657 . 5 1 1 A 63 63 THR C C 63 176.059 176.634 -0.575 1
1 658 . 5 1 1 A 63 63 THR CA C 63 66.527 67.032 -0.505 1
1 659 . 5 1 1 A 63 63 THR CB C 63 69.236 68.660 0.576 1
1 661 . 5 1 1 A 63 63 THR N N 63 115.962 114.525 1.437 1
1 662 . 5 1 1 A 64 64 TRP H H 64 8.506 8.749 -0.243 1
1 663 . 5 1 1 A 64 64 TRP HA H 64 4.064 4.202 -0.138 1
1 672 . 5 1 1 A 64 64 TRP C C 64 179.264 178.025 1.239 1
1 673 . 5 1 1 A 64 64 TRP CA C 64 63.070 61.138 1.932 1
1 674 . 5 1 1 A 64 64 TRP CB C 64 29.048 29.648 -0.600 1
1 680 . 5 1 1 A 64 64 TRP N N 64 123.609 121.381 2.228 1
1 682 . 5 1 1 A 65 65 TYR H H 65 9.152 8.979 0.173 1
1 683 . 5 1 1 A 65 65 TYR HA H 65 3.660 4.575 -0.915 1
1 690 . 5 1 1 A 65 65 TYR C C 65 178.535 178.322 0.213 1
1 691 . 5 1 1 A 65 65 TYR CA C 65 63.749 62.198 1.551 1
1 692 . 5 1 1 A 65 65 TYR CB C 65 39.082 38.587 0.495 1
1 697 . 5 1 1 A 65 65 TYR N N 65 121.400 118.766 2.634 1
1 698 . 5 1 1 A 66 66 GLN H H 66 7.981 8.074 -0.093 1
1 699 . 5 1 1 A 66 66 GLN HA H 66 4.036 4.099 -0.063 1
1 706 . 5 1 1 A 66 66 GLN C C 66 179.045 178.545 0.500 1
1 707 . 5 1 1 A 66 66 GLN CA C 66 59.255 59.151 0.104 1
1 708 . 5 1 1 A 66 66 GLN CB C 66 28.207 28.520 -0.313 1
1 710 . 5 1 1 A 66 66 GLN N N 66 116.821 119.646 -2.825 1
1 712 . 5 1 1 A 67 67 ASN H H 67 7.862 8.385 -0.523 1
1 713 . 5 1 1 A 67 67 ASN HA H 67 4.367 4.402 -0.035 1
1 718 . 5 1 1 A 67 67 ASN C C 67 177.759 177.262 0.497 1
1 719 . 5 1 1 A 67 67 ASN CA C 67 55.852 55.793 0.059 1
1 720 . 5 1 1 A 67 67 ASN CB C 67 38.119 37.928 0.191 1
1 721 . 5 1 1 A 67 67 ASN N N 67 118.257 117.544 0.713 1
1 723 . 5 1 1 A 68 68 ARG H H 68 8.533 7.984 0.549 1
1 724 . 5 1 1 A 68 68 ARG HA H 68 3.430 3.909 -0.479 1
1 732 . 5 1 1 A 68 68 ARG C C 68 179.992 178.435 1.557 1
1 733 . 5 1 1 A 68 68 ARG CA C 68 56.391 57.626 -1.235 1
1 734 . 5 1 1 A 68 68 ARG CB C 68 27.959 30.110 -2.151 1
1 737 . 5 1 1 A 68 68 ARG N N 68 123.922 118.503 5.419 1
1 739 . 5 1 1 A 69 69 ARG H H 69 8.226 8.451 -0.225 1
1 740 . 5 1 1 A 69 69 ARG HA H 69 4.357 4.462 -0.105 1
1 747 . 5 1 1 A 69 69 ARG C C 69 178.535 179.212 -0.677 1
1 748 . 5 1 1 A 69 69 ARG CA C 69 60.681 59.589 1.092 1
1 749 . 5 1 1 A 69 69 ARG CB C 69 31.938 30.040 1.898 1
1 752 . 5 1 1 A 69 69 ARG N N 69 118.839 119.400 -0.561 1
1 753 . 5 1 1 A 70 70 MET H H 70 7.480 8.392 -0.912 1
1 754 . 5 1 1 A 70 70 MET HA H 70 4.287 4.220 0.067 1
1 762 . 5 1 1 A 70 70 MET C C 70 178.098 178.549 -0.451 1
1 763 . 5 1 1 A 70 70 MET CA C 70 58.381 58.775 -0.394 1
1 764 . 5 1 1 A 70 70 MET CB C 70 32.011 32.687 -0.676 1
1 767 . 5 1 1 A 70 70 MET N N 70 118.164 118.085 0.079 1
1 768 . 5 1 1 A 71 71 LYS H H 71 7.298 7.886 -0.588 1
1 769 . 5 1 1 A 71 71 LYS HA H 71 4.086 4.181 -0.095 1
1 778 . 5 1 1 A 71 71 LYS C C 71 177.831 178.963 -1.132 1
1 779 . 5 1 1 A 71 71 LYS CA C 71 58.324 58.106 0.218 1
1 780 . 5 1 1 A 71 71 LYS CB C 71 32.732 31.968 0.764 1
1 784 . 5 1 1 A 71 71 LYS N N 71 118.798 119.670 -0.872 1
1 785 . 5 1 1 A 72 72 TRP H H 72 7.952 8.185 -0.233 1
1 786 . 5 1 1 A 72 72 TRP HA H 72 4.721 4.289 0.432 1
1 795 . 5 1 1 A 72 72 TRP C C 72 177.152 178.534 -1.382 1
1 796 . 5 1 1 A 72 72 TRP CA C 72 58.506 60.383 -1.877 1
1 797 . 5 1 1 A 72 72 TRP CB C 72 29.602 29.740 -0.138 1
1 803 . 5 1 1 A 72 72 TRP N N 72 121.455 123.688 -2.233 1
1 805 . 5 1 1 A 73 73 LYS H H 73 8.241 8.837 -0.596 1
1 806 . 5 1 1 A 73 73 LYS HA H 73 3.781 3.218 0.563 1
1 815 . 5 1 1 A 73 73 LYS C C 73 176.957 177.109 -0.152 1
1 816 . 5 1 1 A 73 73 LYS CA C 73 57.074 59.105 -2.031 1
1 817 . 5 1 1 A 73 73 LYS CB C 73 32.567 32.292 0.275 1
1 821 . 5 1 1 A 73 73 LYS N N 73 120.065 118.176 1.889 1
1 822 . 5 1 1 A 74 74 LYS H H 74 7.705 7.084 0.621 1
1 823 . 5 1 1 A 74 74 LYS HA H 74 4.154 4.457 -0.303 1
1 830 . 5 1 1 A 74 74 LYS C C 74 176.836 175.257 1.579 1
1 831 . 5 1 1 A 74 74 LYS CA C 74 57.028 55.077 1.951 1
1 832 . 5 1 1 A 74 74 LYS CB C 74 32.402 32.834 -0.432 1
1 836 . 5 1 1 A 74 74 LYS N N 74 120.036 119.184 0.852 1
1 837 . 5 1 1 A 75 75 SER H H 75 7.986 8.810 -0.824 1
1 838 . 5 1 1 A 75 75 SER HA H 75 4.470 4.628 -0.158 1
1 841 . 5 1 1 A 75 75 SER C C 75 174.530 174.391 0.139 1
1 842 . 5 1 1 A 75 75 SER CA C 75 58.786 57.193 1.593 1
1 843 . 5 1 1 A 75 75 SER CB C 75 63.975 62.192 1.783 1
1 844 . 5 1 1 A 75 75 SER N N 75 115.488 123.568 -8.080 1
1 845 . 5 1 1 A 76 76 GLY H H 76 8.040 8.251 -0.211 1
1 846 . 5 1 1 A 76 76 GLY HA2 H 76 4.076 4.016 0.060 1
1 847 . 5 1 1 A 76 76 GLY HA3 H 76 4.099 4.020 0.079 1
1 848 . 5 1 1 A 76 76 GLY C C 76 171.835 174.111 -2.276 1
1 849 . 5 1 1 A 76 76 GLY CA C 76 44.789 44.800 -0.011 1
1 850 . 5 1 1 A 76 76 GLY N N 76 110.454 114.862 -4.408 1
1 851 . 5 1 1 A 77 77 PRO HA H 77 4.456 4.427 0.029 1
1 856 . 5 1 1 A 77 77 PRO CA C 77 63.323 64.401 -1.078 1
1 857 . 5 1 1 A 77 77 PRO CB C 77 32.209 32.063 0.146 1
1 860 . 5 1 1 A 79 79 SER HA H 79 4.506 4.915 -0.409 1
1 863 . 5 1 1 A 79 79 SER C C 79 173.947 175.226 -1.279 1
1 864 . 5 1 1 A 79 79 SER CA C 79 58.433 57.209 1.224 1
1 865 . 5 1 1 A 79 79 SER CB C 79 63.960 66.112 -2.152 1
1 1 . 6 1 1 A 7 7 GLY HA2 H 7 4.014 4.343 -0.329 1
1 2 . 6 1 1 A 7 7 GLY HA3 H 7 4.014 4.343 -0.329 1
1 3 . 6 1 1 A 7 7 GLY C C 7 174.578 172.966 1.612 1
1 4 . 6 1 1 A 7 7 GLY CA C 7 45.445 45.761 -0.316 1
1 5 . 6 1 1 A 8 8 GLY H H 8 8.219 8.265 -0.046 1
1 6 . 6 1 1 A 8 8 GLY HA2 H 8 3.959 4.455 -0.496 1
1 7 . 6 1 1 A 8 8 GLY HA3 H 8 3.959 4.455 -0.496 1
1 8 . 6 1 1 A 8 8 GLY C C 8 173.898 172.207 1.691 1
1 9 . 6 1 1 A 8 8 GLY CA C 8 44.923 45.530 -0.607 1
1 10 . 6 1 1 A 8 8 GLY N N 8 108.655 110.272 -1.617 1
1 11 . 6 1 1 A 9 9 GLU H H 9 8.378 8.618 -0.240 1
1 12 . 6 1 1 A 9 9 GLU HA H 9 4.586 4.923 -0.337 1
1 16 . 6 1 1 A 9 9 GLU C C 9 175.015 174.110 0.905 1
1 17 . 6 1 1 A 9 9 GLU CA C 9 54.661 53.419 1.242 1
1 18 . 6 1 1 A 9 9 GLU CB C 9 29.534 32.734 -3.200 1
1 20 . 6 1 1 A 9 9 GLU N N 9 121.838 119.570 2.268 1
1 21 . 6 1 1 A 10 10 PRO HA H 10 4.428 4.495 -0.067 1
1 28 . 6 1 1 A 10 10 PRO C C 10 177.856 175.899 1.957 1
1 29 . 6 1 1 A 10 10 PRO CA C 10 63.767 62.417 1.350 1
1 30 . 6 1 1 A 10 10 PRO CB C 10 32.080 33.235 -1.155 1
1 33 . 6 1 1 A 11 11 GLY H H 11 8.556 8.348 0.208 1
1 34 . 6 1 1 A 11 11 GLY HA2 H 11 3.997 4.237 -0.240 1
1 35 . 6 1 1 A 11 11 GLY HA3 H 11 3.997 4.241 -0.244 1
1 36 . 6 1 1 A 11 11 GLY C C 11 174.724 172.647 2.077 1
1 37 . 6 1 1 A 11 11 GLY CA C 11 45.529 45.806 -0.277 1
1 38 . 6 1 1 A 11 11 GLY N N 11 108.931 106.780 2.151 1
1 39 . 6 1 1 A 12 12 THR H H 12 7.973 8.455 -0.482 1
1 40 . 6 1 1 A 12 12 THR HA H 12 4.306 5.252 -0.946 1
1 45 . 6 1 1 A 12 12 THR C C 12 174.942 172.473 2.469 1
1 46 . 6 1 1 A 12 12 THR CA C 12 62.240 59.705 2.535 1
1 47 . 6 1 1 A 12 12 THR CB C 12 69.882 72.057 -2.175 1
1 49 . 6 1 1 A 12 12 THR N N 12 113.454 114.318 -0.864 1
1 50 . 6 1 1 A 13 13 LYS H H 13 8.313 8.743 -0.430 1
1 51 . 6 1 1 A 13 13 LYS HA H 13 4.281 5.108 -0.827 1
1 58 . 6 1 1 A 13 13 LYS C C 13 176.520 174.978 1.542 1
1 59 . 6 1 1 A 13 13 LYS CA C 13 56.565 55.076 1.489 1
1 60 . 6 1 1 A 13 13 LYS CB C 13 32.590 35.537 -2.947 1
1 64 . 6 1 1 A 13 13 LYS N N 13 123.479 121.603 1.876 1
1 65 . 6 1 1 A 14 14 ALA H H 14 8.192 8.527 -0.335 1
1 66 . 6 1 1 A 14 14 ALA HA H 14 4.272 4.952 -0.680 1
1 70 . 6 1 1 A 14 14 ALA C C 14 177.807 176.424 1.383 1
1 71 . 6 1 1 A 14 14 ALA CA C 14 52.581 51.182 1.399 1
1 72 . 6 1 1 A 14 14 ALA CB C 14 19.258 22.962 -3.704 1
1 73 . 6 1 1 A 14 14 ALA N N 14 124.692 127.404 -2.712 1
1 74 . 6 1 1 A 15 15 LYS H H 15 8.264 8.261 0.003 1
1 75 . 6 1 1 A 15 15 LYS HA H 15 4.296 4.205 0.091 1
1 81 . 6 1 1 A 15 15 LYS C C 15 176.812 176.158 0.654 1
1 82 . 6 1 1 A 15 15 LYS CA C 15 56.403 56.242 0.161 1
1 83 . 6 1 1 A 15 15 LYS CB C 15 32.979 32.710 0.269 1
1 87 . 6 1 1 A 15 15 LYS N N 15 120.979 120.764 0.215 1
1 88 . 6 1 1 A 16 16 LYS H H 16 8.330 8.346 -0.016 1
1 89 . 6 1 1 A 16 16 LYS HA H 16 4.289 4.004 0.285 1
1 93 . 6 1 1 A 16 16 LYS C C 16 177.103 176.983 0.120 1
1 94 . 6 1 1 A 16 16 LYS CB C 16 33.072 32.653 0.419 1
1 98 . 6 1 1 A 16 16 LYS N N 16 122.581 120.789 1.792 1
1 99 . 6 1 1 A 22 22 THR HA H 22 4.294 4.472 -0.178 1
1 104 . 6 1 1 A 22 22 THR C C 22 174.020 174.048 -0.028 1
1 105 . 6 1 1 A 22 22 THR CA C 22 61.928 61.018 0.910 1
1 106 . 6 1 1 A 22 22 THR CB C 22 69.730 69.739 -0.009 1
1 108 . 6 1 1 A 23 23 VAL H H 23 8.087 8.657 -0.570 1
1 109 . 6 1 1 A 23 23 VAL HA H 23 4.112 4.570 -0.458 1
1 117 . 6 1 1 A 23 23 VAL C C 23 175.646 175.523 0.123 1
1 118 . 6 1 1 A 23 23 VAL CA C 23 62.011 61.158 0.853 1
1 119 . 6 1 1 A 23 23 VAL CB C 23 33.060 32.971 0.089 1
1 122 . 6 1 1 A 23 23 VAL N N 23 123.252 122.670 0.582 1
1 123 . 6 1 1 A 24 24 PHE H H 24 8.220 9.038 -0.818 1
1 124 . 6 1 1 A 24 24 PHE HA H 24 4.976 4.883 0.093 1
1 132 . 6 1 1 A 24 24 PHE C C 24 176.739 175.916 0.823 1
1 133 . 6 1 1 A 24 24 PHE CA C 24 56.389 57.269 -0.880 1
1 134 . 6 1 1 A 24 24 PHE CB C 24 40.492 40.153 0.339 1
1 140 . 6 1 1 A 24 24 PHE N N 24 123.332 123.359 -0.027 1
1 141 . 6 1 1 A 25 25 THR H H 25 9.003 8.836 0.167 1
1 142 . 6 1 1 A 25 25 THR HA H 25 4.470 4.648 -0.178 1
1 147 . 6 1 1 A 25 25 THR C C 25 175.209 176.053 -0.844 1
1 148 . 6 1 1 A 25 25 THR CA C 25 60.598 60.362 0.236 1
1 149 . 6 1 1 A 25 25 THR CB C 25 70.801 71.500 -0.699 1
1 151 . 6 1 1 A 25 25 THR N N 25 113.078 114.702 -1.624 1
1 152 . 6 1 1 A 26 26 GLU H H 26 8.991 9.047 -0.056 1
1 153 . 6 1 1 A 26 26 GLU HA H 26 4.036 4.027 0.009 1
1 158 . 6 1 1 A 26 26 GLU C C 26 179.118 178.832 0.286 1
1 159 . 6 1 1 A 26 26 GLU CA C 26 60.222 59.407 0.815 1
1 160 . 6 1 1 A 26 26 GLU CB C 26 29.271 29.280 -0.009 1
1 162 . 6 1 1 A 26 26 GLU N N 26 120.978 121.357 -0.379 1
1 163 . 6 1 1 A 27 27 LEU H H 27 8.120 7.675 0.445 1
1 164 . 6 1 1 A 27 27 LEU HA H 27 4.117 4.046 0.071 1
1 174 . 6 1 1 A 27 27 LEU C C 27 180.623 178.790 1.833 1
1 175 . 6 1 1 A 27 27 LEU CA C 27 58.187 58.063 0.124 1
1 176 . 6 1 1 A 27 27 LEU CB C 27 42.220 41.882 0.338 1
1 180 . 6 1 1 A 27 27 LEU N N 27 118.897 121.702 -2.805 1
1 181 . 6 1 1 A 28 28 GLN H H 28 7.733 7.907 -0.174 1
1 182 . 6 1 1 A 28 28 GLN HA H 28 3.864 3.956 -0.092 1
1 189 . 6 1 1 A 28 28 GLN C C 28 177.492 178.952 -1.460 1
1 190 . 6 1 1 A 28 28 GLN CA C 28 59.212 58.728 0.484 1
1 191 . 6 1 1 A 28 28 GLN CB C 28 27.740 28.271 -0.531 1
1 193 . 6 1 1 A 28 28 GLN N N 28 119.947 117.700 2.247 1
1 195 . 6 1 1 A 29 29 LEU H H 29 8.336 8.441 -0.105 1
1 196 . 6 1 1 A 29 29 LEU HA H 29 3.665 3.731 -0.066 1
1 206 . 6 1 1 A 29 29 LEU C C 29 179.118 178.740 0.378 1
1 207 . 6 1 1 A 29 29 LEU CA C 29 58.068 57.873 0.195 1
1 208 . 6 1 1 A 29 29 LEU CB C 29 41.582 41.658 -0.076 1
1 212 . 6 1 1 A 29 29 LEU N N 29 118.154 120.008 -1.854 1
1 213 . 6 1 1 A 30 30 MET H H 30 8.282 8.214 0.068 1
1 214 . 6 1 1 A 30 30 MET HA H 30 4.118 4.025 0.093 1
1 222 . 6 1 1 A 30 30 MET C C 30 179.070 178.888 0.182 1
1 223 . 6 1 1 A 30 30 MET CA C 30 58.583 58.830 -0.247 1
1 224 . 6 1 1 A 30 30 MET CB C 30 32.665 32.128 0.537 1
1 227 . 6 1 1 A 30 30 MET N N 30 117.314 118.681 -1.367 1
1 228 . 6 1 1 A 31 31 GLY H H 31 7.904 8.129 -0.225 1
1 229 . 6 1 1 A 31 31 GLY HA2 H 31 3.787 3.631 0.156 1
1 230 . 6 1 1 A 31 31 GLY HA3 H 31 3.631 3.648 -0.017 1
1 231 . 6 1 1 A 31 31 GLY C C 31 176.618 175.403 1.215 1
1 232 . 6 1 1 A 31 31 GLY CA C 31 47.231 47.195 0.036 1
1 233 . 6 1 1 A 31 31 GLY N N 31 107.053 107.454 -0.401 1
1 234 . 6 1 1 A 32 32 LEU H H 32 7.982 8.319 -0.337 1
1 235 . 6 1 1 A 32 32 LEU HA H 32 3.577 3.994 -0.417 1
1 245 . 6 1 1 A 32 32 LEU C C 32 177.564 179.784 -2.220 1
1 246 . 6 1 1 A 32 32 LEU CA C 32 58.318 57.334 0.984 1
1 247 . 6 1 1 A 32 32 LEU CB C 32 38.280 40.755 -2.475 1
1 251 . 6 1 1 A 32 32 LEU N N 32 125.323 122.151 3.172 1
1 252 . 6 1 1 A 33 33 GLU H H 33 8.054 8.573 -0.519 1
1 253 . 6 1 1 A 33 33 GLU HA H 33 4.283 4.235 0.048 1
1 258 . 6 1 1 A 33 33 GLU C C 33 180.041 179.789 0.252 1
1 259 . 6 1 1 A 33 33 GLU CA C 33 59.157 59.661 -0.504 1
1 260 . 6 1 1 A 33 33 GLU CB C 33 29.155 29.344 -0.189 1
1 262 . 6 1 1 A 33 33 GLU N N 33 118.448 119.614 -1.166 1
1 263 . 6 1 1 A 34 34 LYS H H 34 8.229 7.636 0.593 1
1 264 . 6 1 1 A 34 34 LYS HA H 34 4.099 4.022 0.077 1
1 271 . 6 1 1 A 34 34 LYS C C 34 179.822 179.124 0.698 1
1 272 . 6 1 1 A 34 34 LYS CA C 34 58.789 59.444 -0.655 1
1 273 . 6 1 1 A 34 34 LYS CB C 34 32.073 32.147 -0.074 1
1 277 . 6 1 1 A 34 34 LYS N N 34 118.230 121.309 -3.079 1
1 278 . 6 1 1 A 35 35 ARG H H 35 7.560 7.924 -0.364 1
1 279 . 6 1 1 A 35 35 ARG HA H 35 4.190 4.112 0.078 1
1 286 . 6 1 1 A 35 35 ARG C C 35 178.001 179.076 -1.075 1
1 287 . 6 1 1 A 35 35 ARG CA C 35 57.095 59.287 -2.192 1
1 288 . 6 1 1 A 35 35 ARG CB C 35 28.882 30.568 -1.686 1
1 291 . 6 1 1 A 35 35 ARG N N 35 120.162 119.123 1.039 1
1 292 . 6 1 1 A 36 36 PHE H H 36 8.810 8.346 0.464 1
1 293 . 6 1 1 A 36 36 PHE HA H 36 4.227 3.991 0.236 1
1 301 . 6 1 1 A 36 36 PHE C C 36 176.520 177.711 -1.191 1
1 302 . 6 1 1 A 36 36 PHE CA C 36 60.886 61.181 -0.295 1
1 303 . 6 1 1 A 36 36 PHE CB C 36 39.333 38.913 0.420 1
1 309 . 6 1 1 A 36 36 PHE N N 36 122.860 120.647 2.213 1
1 310 . 6 1 1 A 37 37 GLU H H 37 7.772 8.744 -0.972 1
1 311 . 6 1 1 A 37 37 GLU HA H 37 3.701 4.072 -0.371 1
1 316 . 6 1 1 A 37 37 GLU C C 37 177.297 178.781 -1.484 1
1 317 . 6 1 1 A 37 37 GLU CA C 37 59.036 59.308 -0.272 1
1 318 . 6 1 1 A 37 37 GLU CB C 37 29.981 29.021 0.960 1
1 320 . 6 1 1 A 37 37 GLU N N 37 116.313 117.759 -1.446 1
1 321 . 6 1 1 A 38 38 LYS H H 38 7.005 7.321 -0.316 1
1 322 . 6 1 1 A 38 38 LYS HA H 38 4.280 4.213 0.067 1
1 329 . 6 1 1 A 38 38 LYS C C 38 177.079 176.642 0.437 1
1 330 . 6 1 1 A 38 38 LYS CA C 38 56.741 58.730 -1.989 1
1 331 . 6 1 1 A 38 38 LYS CB C 38 34.301 32.948 1.353 1
1 335 . 6 1 1 A 38 38 LYS N N 38 114.632 118.341 -3.709 1
1 336 . 6 1 1 A 39 39 GLN H H 39 8.641 8.291 0.350 1
1 337 . 6 1 1 A 39 39 GLN HA H 39 4.509 4.450 0.059 1
1 344 . 6 1 1 A 39 39 GLN C C 39 173.340 175.838 -2.498 1
1 345 . 6 1 1 A 39 39 GLN CA C 39 55.527 54.565 0.962 1
1 346 . 6 1 1 A 39 39 GLN CB C 39 31.827 30.135 1.692 1
1 348 . 6 1 1 A 39 39 GLN N N 39 120.830 118.140 2.690 1
1 350 . 6 1 1 A 40 40 LYS H H 40 8.474 8.247 0.227 1
1 351 . 6 1 1 A 40 40 LYS HA H 40 3.598 3.055 0.543 1
1 360 . 6 1 1 A 40 40 LYS C C 40 174.530 176.008 -1.478 1
1 361 . 6 1 1 A 40 40 LYS CA C 40 56.459 58.773 -2.314 1
1 362 . 6 1 1 A 40 40 LYS CB C 40 32.276 31.580 0.696 1
1 366 . 6 1 1 A 40 40 LYS N N 40 125.122 125.808 -0.686 1
1 367 . 6 1 1 A 41 41 TYR H H 41 7.513 7.554 -0.041 1
1 368 . 6 1 1 A 41 41 TYR HA H 41 4.537 5.279 -0.742 1
1 375 . 6 1 1 A 41 41 TYR C C 41 174.700 174.552 0.148 1
1 376 . 6 1 1 A 41 41 TYR CA C 41 56.743 56.417 0.326 1
1 377 . 6 1 1 A 41 41 TYR CB C 41 41.274 42.789 -1.515 1
1 382 . 6 1 1 A 41 41 TYR N N 41 113.703 115.508 -1.805 1
1 383 . 6 1 1 A 42 42 LEU H H 42 8.544 8.774 -0.230 1
1 384 . 6 1 1 A 42 42 LEU HA H 42 4.610 4.978 -0.368 1
1 394 . 6 1 1 A 42 42 LEU C C 42 177.273 176.245 1.028 1
1 395 . 6 1 1 A 42 42 LEU CA C 42 53.408 53.595 -0.187 1
1 396 . 6 1 1 A 42 42 LEU CB C 42 44.040 42.991 1.049 1
1 400 . 6 1 1 A 42 42 LEU N N 42 123.003 125.124 -2.121 1
1 401 . 6 1 1 A 43 43 SER H H 43 8.651 8.848 -0.197 1
1 402 . 6 1 1 A 43 43 SER HA H 43 4.621 4.436 0.185 1
1 405 . 6 1 1 A 43 43 SER C C 43 174.530 175.657 -1.127 1
1 406 . 6 1 1 A 43 43 SER CA C 43 57.053 58.560 -1.507 1
1 407 . 6 1 1 A 43 43 SER CB C 43 64.786 64.078 0.708 1
1 408 . 6 1 1 A 43 43 SER N N 43 118.850 120.204 -1.354 1
1 409 . 6 1 1 A 44 44 THR H H 44 9.159 8.783 0.376 1
1 410 . 6 1 1 A 44 44 THR HA H 44 4.428 4.012 0.416 1
1 415 . 6 1 1 A 44 44 THR C C 44 175.428 173.559 1.869 1
1 416 . 6 1 1 A 44 44 THR CA C 44 66.563 67.719 -1.156 1
1 417 . 6 1 1 A 44 44 THR CB C 44 69.210 67.979 1.231 1
1 419 . 6 1 1 A 44 44 THR N N 44 117.903 121.461 -3.558 1
1 420 . 6 1 1 A 45 45 PRO HA H 45 4.188 4.302 -0.114 1
1 427 . 6 1 1 A 45 45 PRO C C 45 179.312 178.780 0.532 1
1 428 . 6 1 1 A 45 45 PRO CA C 45 66.163 66.326 -0.163 1
1 429 . 6 1 1 A 45 45 PRO CB C 45 30.975 30.545 0.430 1
1 432 . 6 1 1 A 46 46 ASP H H 46 7.289 8.405 -1.116 1
1 433 . 6 1 1 A 46 46 ASP HA H 46 4.387 4.328 0.059 1
1 436 . 6 1 1 A 46 46 ASP C C 46 178.390 178.779 -0.389 1
1 437 . 6 1 1 A 46 46 ASP CA C 46 56.974 57.545 -0.571 1
1 438 . 6 1 1 A 46 46 ASP CB C 46 41.498 40.201 1.297 1
1 439 . 6 1 1 A 46 46 ASP N N 46 117.060 117.415 -0.355 1
1 440 . 6 1 1 A 47 47 ARG H H 47 8.493 8.018 0.475 1
1 441 . 6 1 1 A 47 47 ARG HA H 47 3.754 3.999 -0.245 1
1 448 . 6 1 1 A 47 47 ARG C C 47 177.880 178.766 -0.886 1
1 449 . 6 1 1 A 47 47 ARG CA C 47 60.123 58.785 1.338 1
1 450 . 6 1 1 A 47 47 ARG CB C 47 30.355 30.016 0.339 1
1 453 . 6 1 1 A 47 47 ARG N N 47 122.143 120.477 1.666 1
1 454 . 6 1 1 A 48 48 ILE H H 48 8.219 7.734 0.485 1
1 455 . 6 1 1 A 48 48 ILE HA H 48 3.475 3.585 -0.110 1
1 465 . 6 1 1 A 48 48 ILE C C 48 178.026 177.634 0.392 1
1 466 . 6 1 1 A 48 48 ILE CA C 48 66.105 65.525 0.580 1
1 467 . 6 1 1 A 48 48 ILE CB C 48 38.440 38.233 0.207 1
1 471 . 6 1 1 A 48 48 ILE N N 48 119.888 120.058 -0.170 1
1 472 . 6 1 1 A 49 49 ASP H H 49 7.775 8.458 -0.683 1
1 473 . 6 1 1 A 49 49 ASP HA H 49 4.406 4.297 0.109 1
1 476 . 6 1 1 A 49 49 ASP C C 49 178.900 178.258 0.642 1
1 477 . 6 1 1 A 49 49 ASP CA C 49 57.380 57.611 -0.231 1
1 478 . 6 1 1 A 49 49 ASP CB C 49 41.523 41.474 0.049 1
1 479 . 6 1 1 A 49 49 ASP N N 49 119.245 120.394 -1.149 1
1 480 . 6 1 1 A 50 50 LEU H H 50 8.344 7.873 0.471 1
1 481 . 6 1 1 A 50 50 LEU HA H 50 4.090 4.038 0.052 1
1 491 . 6 1 1 A 50 50 LEU C C 50 178.705 178.333 0.372 1
1 492 . 6 1 1 A 50 50 LEU CA C 50 57.651 58.070 -0.419 1
1 493 . 6 1 1 A 50 50 LEU CB C 50 42.526 41.983 0.543 1
1 497 . 6 1 1 A 50 50 LEU N N 50 121.649 120.306 1.343 1
1 498 . 6 1 1 A 51 51 ALA H H 51 8.513 8.329 0.184 1
1 499 . 6 1 1 A 51 51 ALA HA H 51 3.611 3.998 -0.387 1
1 503 . 6 1 1 A 51 51 ALA C C 51 179.749 179.772 -0.023 1
1 504 . 6 1 1 A 51 51 ALA CA C 51 56.139 54.981 1.158 1
1 505 . 6 1 1 A 51 51 ALA CB C 51 17.519 18.416 -0.897 1
1 506 . 6 1 1 A 51 51 ALA N N 51 120.902 120.240 0.662 1
1 507 . 6 1 1 A 52 52 GLU H H 52 8.285 7.712 0.573 1
1 508 . 6 1 1 A 52 52 GLU HA H 52 4.097 4.073 0.024 1
1 513 . 6 1 1 A 52 52 GLU C C 52 180.114 179.314 0.800 1
1 514 . 6 1 1 A 52 52 GLU CA C 52 59.307 59.179 0.128 1
1 515 . 6 1 1 A 52 52 GLU CB C 52 29.408 29.498 -0.090 1
1 517 . 6 1 1 A 52 52 GLU N N 52 116.933 118.406 -1.473 1
1 518 . 6 1 1 A 53 53 SER H H 53 8.229 8.312 -0.083 1
1 519 . 6 1 1 A 53 53 SER HA H 53 4.251 4.104 0.147 1
1 522 . 6 1 1 A 53 53 SER C C 53 176.059 175.946 0.113 1
1 523 . 6 1 1 A 53 53 SER CA C 53 61.347 62.305 -0.958 1
1 524 . 6 1 1 A 53 53 SER CB C 53 63.235 63.106 0.129 1
1 525 . 6 1 1 A 53 53 SER N N 53 114.615 117.340 -2.725 1
1 526 . 6 1 1 A 54 54 LEU H H 54 7.675 7.501 0.174 1
1 527 . 6 1 1 A 54 54 LEU HA H 54 4.513 4.324 0.189 1
1 537 . 6 1 1 A 54 54 LEU C C 54 177.516 177.138 0.378 1
1 538 . 6 1 1 A 54 54 LEU CA C 54 54.422 55.502 -1.080 1
1 539 . 6 1 1 A 54 54 LEU CB C 54 43.880 42.820 1.060 1
1 543 . 6 1 1 A 54 54 LEU N N 54 117.401 117.588 -0.187 1
1 544 . 6 1 1 A 55 55 GLY H H 55 7.941 8.096 -0.155 1
1 545 . 6 1 1 A 55 55 GLY HA2 H 55 3.982 3.923 0.059 1
1 546 . 6 1 1 A 55 55 GLY HA3 H 55 4.026 3.926 0.100 1
1 547 . 6 1 1 A 55 55 GLY C C 55 174.360 174.516 -0.156 1
1 548 . 6 1 1 A 55 55 GLY CA C 55 46.728 45.818 0.910 1
1 549 . 6 1 1 A 55 55 GLY N N 55 111.061 106.376 4.685 1
1 550 . 6 1 1 A 56 56 LEU H H 56 8.190 8.079 0.111 1
1 551 . 6 1 1 A 56 56 LEU HA H 56 4.803 4.672 0.131 1
1 561 . 6 1 1 A 56 56 LEU C C 56 175.914 175.595 0.319 1
1 562 . 6 1 1 A 56 56 LEU CA C 56 52.510 53.729 -1.219 1
1 563 . 6 1 1 A 56 56 LEU CB C 56 47.484 42.702 4.782 1
1 567 . 6 1 1 A 56 56 LEU N N 56 119.967 121.343 -1.376 1
1 568 . 6 1 1 A 57 57 SER H H 57 9.037 8.574 0.463 1
1 569 . 6 1 1 A 57 57 SER HA H 57 4.423 4.784 -0.361 1
1 572 . 6 1 1 A 57 57 SER C C 57 176.618 175.589 1.029 1
1 573 . 6 1 1 A 57 57 SER CA C 57 56.189 55.992 0.197 1
1 574 . 6 1 1 A 57 57 SER CB C 57 65.579 64.915 0.664 1
1 575 . 6 1 1 A 57 57 SER N N 57 115.098 115.931 -0.833 1
1 576 . 6 1 1 A 58 58 GLN HA H 58 3.741 3.973 -0.232 1
1 583 . 6 1 1 A 58 58 GLN C C 58 177.904 178.154 -0.250 1
1 584 . 6 1 1 A 58 58 GLN CA C 58 60.504 58.828 1.676 1
1 585 . 6 1 1 A 58 58 GLN CB C 58 28.365 28.257 0.108 1
1 588 . 6 1 1 A 59 59 LEU H H 59 8.207 7.990 0.217 1
1 589 . 6 1 1 A 59 59 LEU HA H 59 4.192 4.096 0.096 1
1 599 . 6 1 1 A 59 59 LEU C C 59 179.871 178.876 0.995 1
1 600 . 6 1 1 A 59 59 LEU CA C 59 57.878 57.967 -0.089 1
1 601 . 6 1 1 A 59 59 LEU CB C 59 41.747 41.798 -0.051 1
1 605 . 6 1 1 A 59 59 LEU N N 59 120.246 121.589 -1.343 1
1 606 . 6 1 1 A 60 60 GLN H H 60 8.125 8.331 -0.206 1
1 607 . 6 1 1 A 60 60 GLN HA H 60 4.214 4.191 0.023 1
1 614 . 6 1 1 A 60 60 GLN C C 60 179.434 178.971 0.463 1
1 615 . 6 1 1 A 60 60 GLN CA C 60 59.530 59.253 0.277 1
1 616 . 6 1 1 A 60 60 GLN CB C 60 29.651 28.631 1.020 1
1 618 . 6 1 1 A 60 60 GLN N N 60 120.637 117.816 2.821 1
1 620 . 6 1 1 A 61 61 VAL H H 61 7.717 8.158 -0.441 1
1 621 . 6 1 1 A 61 61 VAL HA H 61 3.673 3.860 -0.187 1
1 629 . 6 1 1 A 61 61 VAL C C 61 176.982 177.972 -0.990 1
1 630 . 6 1 1 A 61 61 VAL CA C 61 67.670 67.257 0.413 1
1 631 . 6 1 1 A 61 61 VAL CB C 61 31.899 31.625 0.274 1
1 634 . 6 1 1 A 61 61 VAL N N 61 118.389 120.064 -1.675 1
1 635 . 6 1 1 A 62 62 LYS H H 62 8.578 7.928 0.650 1
1 636 . 6 1 1 A 62 62 LYS HA H 62 4.423 4.039 0.384 1
1 644 . 6 1 1 A 62 62 LYS C C 62 179.749 178.973 0.776 1
1 645 . 6 1 1 A 62 62 LYS CA C 62 59.821 59.957 -0.136 1
1 646 . 6 1 1 A 62 62 LYS CB C 62 33.793 32.647 1.146 1
1 650 . 6 1 1 A 62 62 LYS N N 62 120.540 120.353 0.187 1
1 651 . 6 1 1 A 63 63 THR H H 63 8.722 8.643 0.079 1
1 652 . 6 1 1 A 63 63 THR HA H 63 4.007 4.020 -0.013 1
1 657 . 6 1 1 A 63 63 THR C C 63 176.059 176.740 -0.681 1
1 658 . 6 1 1 A 63 63 THR CA C 63 66.527 67.115 -0.588 1
1 659 . 6 1 1 A 63 63 THR CB C 63 69.236 68.579 0.657 1
1 661 . 6 1 1 A 63 63 THR N N 63 115.962 114.594 1.368 1
1 662 . 6 1 1 A 64 64 TRP H H 64 8.506 8.816 -0.310 1
1 663 . 6 1 1 A 64 64 TRP HA H 64 4.064 4.207 -0.143 1
1 672 . 6 1 1 A 64 64 TRP C C 64 179.264 178.165 1.099 1
1 673 . 6 1 1 A 64 64 TRP CA C 64 63.070 61.161 1.909 1
1 674 . 6 1 1 A 64 64 TRP CB C 64 29.048 29.635 -0.587 1
1 680 . 6 1 1 A 64 64 TRP N N 64 123.609 121.276 2.333 1
1 682 . 6 1 1 A 65 65 TYR H H 65 9.152 8.807 0.345 1
1 683 . 6 1 1 A 65 65 TYR HA H 65 3.660 4.385 -0.725 1
1 690 . 6 1 1 A 65 65 TYR C C 65 178.535 178.459 0.076 1
1 691 . 6 1 1 A 65 65 TYR CA C 65 63.749 61.523 2.226 1
1 692 . 6 1 1 A 65 65 TYR CB C 65 39.082 38.645 0.437 1
1 697 . 6 1 1 A 65 65 TYR N N 65 121.400 118.652 2.748 1
1 698 . 6 1 1 A 66 66 GLN H H 66 7.981 8.199 -0.218 1
1 699 . 6 1 1 A 66 66 GLN HA H 66 4.036 4.062 -0.026 1
1 706 . 6 1 1 A 66 66 GLN C C 66 179.045 178.807 0.238 1
1 707 . 6 1 1 A 66 66 GLN CA C 66 59.255 59.475 -0.220 1
1 708 . 6 1 1 A 66 66 GLN CB C 66 28.207 28.245 -0.038 1
1 710 . 6 1 1 A 66 66 GLN N N 66 116.821 119.197 -2.376 1
1 712 . 6 1 1 A 67 67 ASN H H 67 7.862 8.272 -0.410 1
1 713 . 6 1 1 A 67 67 ASN HA H 67 4.367 4.530 -0.163 1
1 718 . 6 1 1 A 67 67 ASN C C 67 177.759 178.397 -0.638 1
1 719 . 6 1 1 A 67 67 ASN CA C 67 55.852 55.502 0.350 1
1 720 . 6 1 1 A 67 67 ASN CB C 67 38.119 37.861 0.258 1
1 721 . 6 1 1 A 67 67 ASN N N 67 118.257 118.215 0.042 1
1 723 . 6 1 1 A 68 68 ARG H H 68 8.533 7.978 0.555 1
1 724 . 6 1 1 A 68 68 ARG HA H 68 3.430 3.739 -0.309 1
1 732 . 6 1 1 A 68 68 ARG C C 68 179.992 178.805 1.187 1
1 733 . 6 1 1 A 68 68 ARG CA C 68 56.391 58.731 -2.340 1
1 734 . 6 1 1 A 68 68 ARG CB C 68 27.959 28.857 -0.898 1
1 737 . 6 1 1 A 68 68 ARG N N 68 123.922 120.055 3.867 1
1 739 . 6 1 1 A 69 69 ARG H H 69 8.226 8.115 0.111 1
1 740 . 6 1 1 A 69 69 ARG HA H 69 4.357 4.398 -0.041 1
1 747 . 6 1 1 A 69 69 ARG C C 69 178.535 179.336 -0.801 1
1 748 . 6 1 1 A 69 69 ARG CA C 69 60.681 59.492 1.189 1
1 749 . 6 1 1 A 69 69 ARG CB C 69 31.938 30.128 1.810 1
1 752 . 6 1 1 A 69 69 ARG N N 69 118.839 118.942 -0.103 1
1 753 . 6 1 1 A 70 70 MET H H 70 7.480 7.791 -0.311 1
1 754 . 6 1 1 A 70 70 MET HA H 70 4.287 4.104 0.183 1
1 762 . 6 1 1 A 70 70 MET C C 70 178.098 178.217 -0.119 1
1 763 . 6 1 1 A 70 70 MET CA C 70 58.381 59.444 -1.063 1
1 764 . 6 1 1 A 70 70 MET CB C 70 32.011 32.482 -0.471 1
1 767 . 6 1 1 A 70 70 MET N N 70 118.164 119.722 -1.558 1
1 768 . 6 1 1 A 71 71 LYS H H 71 7.298 7.291 0.007 1
1 769 . 6 1 1 A 71 71 LYS HA H 71 4.086 4.079 0.007 1
1 778 . 6 1 1 A 71 71 LYS C C 71 177.831 178.718 -0.887 1
1 779 . 6 1 1 A 71 71 LYS CA C 71 58.324 58.628 -0.304 1
1 780 . 6 1 1 A 71 71 LYS CB C 71 32.732 32.606 0.126 1
1 784 . 6 1 1 A 71 71 LYS N N 71 118.798 119.639 -0.841 1
1 785 . 6 1 1 A 72 72 TRP H H 72 7.952 8.460 -0.508 1
1 786 . 6 1 1 A 72 72 TRP HA H 72 4.721 4.073 0.648 1
1 795 . 6 1 1 A 72 72 TRP C C 72 177.152 176.950 0.202 1
1 796 . 6 1 1 A 72 72 TRP CA C 72 58.506 60.712 -2.206 1
1 797 . 6 1 1 A 72 72 TRP CB C 72 29.602 29.734 -0.132 1
1 803 . 6 1 1 A 72 72 TRP N N 72 121.455 122.052 -0.597 1
1 805 . 6 1 1 A 73 73 LYS H H 73 8.241 7.852 0.389 1
1 806 . 6 1 1 A 73 73 LYS HA H 73 3.781 3.566 0.215 1
1 815 . 6 1 1 A 73 73 LYS C C 73 176.957 176.231 0.726 1
1 816 . 6 1 1 A 73 73 LYS CA C 73 57.074 56.160 0.914 1
1 817 . 6 1 1 A 73 73 LYS CB C 73 32.567 32.497 0.070 1
1 821 . 6 1 1 A 73 73 LYS N N 73 120.065 119.050 1.015 1
1 822 . 6 1 1 A 74 74 LYS H H 74 7.705 8.247 -0.542 1
1 823 . 6 1 1 A 74 74 LYS HA H 74 4.154 4.331 -0.177 1
1 830 . 6 1 1 A 74 74 LYS C C 74 176.836 175.666 1.170 1
1 831 . 6 1 1 A 74 74 LYS CA C 74 57.028 56.159 0.869 1
1 832 . 6 1 1 A 74 74 LYS CB C 74 32.402 31.610 0.792 1
1 836 . 6 1 1 A 74 74 LYS N N 74 120.036 123.526 -3.490 1
1 837 . 6 1 1 A 75 75 SER H H 75 7.986 8.241 -0.255 1
1 838 . 6 1 1 A 75 75 SER HA H 75 4.470 4.793 -0.323 1
1 841 . 6 1 1 A 75 75 SER C C 75 174.530 173.037 1.493 1
1 842 . 6 1 1 A 75 75 SER CA C 75 58.786 56.581 2.205 1
1 843 . 6 1 1 A 75 75 SER CB C 75 63.975 65.504 -1.529 1
1 844 . 6 1 1 A 75 75 SER N N 75 115.488 118.685 -3.197 1
1 845 . 6 1 1 A 76 76 GLY H H 76 8.040 8.472 -0.432 1
1 846 . 6 1 1 A 76 76 GLY HA2 H 76 4.076 4.142 -0.066 1
1 847 . 6 1 1 A 76 76 GLY HA3 H 76 4.099 4.147 -0.048 1
1 848 . 6 1 1 A 76 76 GLY C C 76 171.835 173.728 -1.893 1
1 849 . 6 1 1 A 76 76 GLY CA C 76 44.789 44.792 -0.003 1
1 850 . 6 1 1 A 76 76 GLY N N 76 110.454 111.913 -1.459 1
1 851 . 6 1 1 A 77 77 PRO HA H 77 4.456 4.382 0.074 1
1 856 . 6 1 1 A 77 77 PRO CA C 77 63.323 64.731 -1.408 1
1 857 . 6 1 1 A 77 77 PRO CB C 77 32.209 32.017 0.192 1
1 860 . 6 1 1 A 79 79 SER HA H 79 4.506 4.116 0.390 1
1 863 . 6 1 1 A 79 79 SER C C 79 173.947 175.502 -1.555 1
1 864 . 6 1 1 A 79 79 SER CA C 79 58.433 60.006 -1.573 1
1 865 . 6 1 1 A 79 79 SER CB C 79 63.960 62.836 1.124 1
1 1 . 7 1 1 A 7 7 GLY HA2 H 7 4.014 4.136 -0.122 1
1 2 . 7 1 1 A 7 7 GLY HA3 H 7 4.014 4.136 -0.122 1
1 3 . 7 1 1 A 7 7 GLY C C 7 174.578 173.527 1.051 1
1 4 . 7 1 1 A 7 7 GLY CA C 7 45.445 45.276 0.169 1
1 5 . 7 1 1 A 8 8 GLY H H 8 8.219 8.399 -0.180 1
1 6 . 7 1 1 A 8 8 GLY HA2 H 8 3.959 4.180 -0.221 1
1 7 . 7 1 1 A 8 8 GLY HA3 H 8 3.959 4.181 -0.222 1
1 8 . 7 1 1 A 8 8 GLY C C 8 173.898 171.420 2.478 1
1 9 . 7 1 1 A 8 8 GLY CA C 8 44.923 45.875 -0.952 1
1 10 . 7 1 1 A 8 8 GLY N N 8 108.655 110.793 -2.138 1
1 11 . 7 1 1 A 9 9 GLU H H 9 8.378 8.804 -0.426 1
1 12 . 7 1 1 A 9 9 GLU HA H 9 4.586 5.074 -0.488 1
1 16 . 7 1 1 A 9 9 GLU C C 9 175.015 174.060 0.955 1
1 17 . 7 1 1 A 9 9 GLU CA C 9 54.661 53.872 0.789 1
1 18 . 7 1 1 A 9 9 GLU CB C 9 29.534 33.157 -3.623 1
1 20 . 7 1 1 A 9 9 GLU N N 9 121.838 116.696 5.142 1
1 21 . 7 1 1 A 10 10 PRO HA H 10 4.428 4.628 -0.200 1
1 28 . 7 1 1 A 10 10 PRO C C 10 177.856 176.214 1.642 1
1 29 . 7 1 1 A 10 10 PRO CA C 10 63.767 62.611 1.156 1
1 30 . 7 1 1 A 10 10 PRO CB C 10 32.080 33.538 -1.458 1
1 33 . 7 1 1 A 11 11 GLY H H 11 8.556 8.374 0.182 1
1 34 . 7 1 1 A 11 11 GLY HA2 H 11 3.997 4.099 -0.102 1
1 35 . 7 1 1 A 11 11 GLY HA3 H 11 3.997 4.101 -0.104 1
1 36 . 7 1 1 A 11 11 GLY C C 11 174.724 172.817 1.907 1
1 37 . 7 1 1 A 11 11 GLY CA C 11 45.529 45.899 -0.370 1
1 38 . 7 1 1 A 11 11 GLY N N 11 108.931 106.868 2.063 1
1 39 . 7 1 1 A 12 12 THR H H 12 7.973 8.392 -0.419 1
1 40 . 7 1 1 A 12 12 THR HA H 12 4.306 4.966 -0.660 1
1 45 . 7 1 1 A 12 12 THR C C 12 174.942 172.965 1.977 1
1 46 . 7 1 1 A 12 12 THR CA C 12 62.240 60.262 1.978 1
1 47 . 7 1 1 A 12 12 THR CB C 12 69.882 70.995 -1.113 1
1 49 . 7 1 1 A 12 12 THR N N 12 113.454 116.604 -3.150 1
1 50 . 7 1 1 A 13 13 LYS H H 13 8.313 9.023 -0.710 1
1 51 . 7 1 1 A 13 13 LYS HA H 13 4.281 4.763 -0.482 1
1 58 . 7 1 1 A 13 13 LYS C C 13 176.520 175.369 1.151 1
1 59 . 7 1 1 A 13 13 LYS CA C 13 56.565 55.670 0.895 1
1 60 . 7 1 1 A 13 13 LYS CB C 13 32.590 33.165 -0.575 1
1 64 . 7 1 1 A 13 13 LYS N N 13 123.479 127.319 -3.840 1
1 65 . 7 1 1 A 14 14 ALA H H 14 8.192 8.911 -0.719 1
1 66 . 7 1 1 A 14 14 ALA HA H 14 4.272 5.017 -0.745 1
1 70 . 7 1 1 A 14 14 ALA C C 14 177.807 176.123 1.684 1
1 71 . 7 1 1 A 14 14 ALA CA C 14 52.581 50.622 1.959 1
1 72 . 7 1 1 A 14 14 ALA CB C 14 19.258 19.794 -0.536 1
1 73 . 7 1 1 A 14 14 ALA N N 14 124.692 128.214 -3.522 1
1 74 . 7 1 1 A 15 15 LYS H H 15 8.264 8.648 -0.384 1
1 75 . 7 1 1 A 15 15 LYS HA H 15 4.296 4.947 -0.651 1
1 81 . 7 1 1 A 15 15 LYS C C 15 176.812 175.519 1.293 1
1 82 . 7 1 1 A 15 15 LYS CA C 15 56.403 54.775 1.628 1
1 83 . 7 1 1 A 15 15 LYS CB C 15 32.979 35.843 -2.864 1
1 87 . 7 1 1 A 15 15 LYS N N 15 120.979 121.329 -0.350 1
1 88 . 7 1 1 A 16 16 LYS H H 16 8.330 8.834 -0.504 1
1 89 . 7 1 1 A 16 16 LYS HA H 16 4.289 4.356 -0.067 1
1 93 . 7 1 1 A 16 16 LYS C C 16 177.103 177.711 -0.608 1
1 94 . 7 1 1 A 16 16 LYS CB C 16 33.072 32.943 0.129 1
1 98 . 7 1 1 A 16 16 LYS N N 16 122.581 119.320 3.261 1
1 99 . 7 1 1 A 22 22 THR HA H 22 4.294 4.310 -0.016 1
1 104 . 7 1 1 A 22 22 THR C C 22 174.020 173.675 0.345 1
1 105 . 7 1 1 A 22 22 THR CA C 22 61.928 62.556 -0.628 1
1 106 . 7 1 1 A 22 22 THR CB C 22 69.730 69.829 -0.099 1
1 108 . 7 1 1 A 23 23 VAL H H 23 8.087 8.423 -0.336 1
1 109 . 7 1 1 A 23 23 VAL HA H 23 4.112 4.444 -0.332 1
1 117 . 7 1 1 A 23 23 VAL C C 23 175.646 175.311 0.335 1
1 118 . 7 1 1 A 23 23 VAL CA C 23 62.011 60.726 1.285 1
1 119 . 7 1 1 A 23 23 VAL CB C 23 33.060 33.208 -0.148 1
1 122 . 7 1 1 A 23 23 VAL N N 23 123.252 123.038 0.214 1
1 123 . 7 1 1 A 24 24 PHE H H 24 8.220 8.972 -0.752 1
1 124 . 7 1 1 A 24 24 PHE HA H 24 4.976 5.081 -0.105 1
1 132 . 7 1 1 A 24 24 PHE C C 24 176.739 175.993 0.746 1
1 133 . 7 1 1 A 24 24 PHE CA C 24 56.389 57.005 -0.616 1
1 134 . 7 1 1 A 24 24 PHE CB C 24 40.492 40.131 0.361 1
1 140 . 7 1 1 A 24 24 PHE N N 24 123.332 121.176 2.156 1
1 141 . 7 1 1 A 25 25 THR H H 25 9.003 8.874 0.129 1
1 142 . 7 1 1 A 25 25 THR HA H 25 4.470 4.661 -0.191 1
1 147 . 7 1 1 A 25 25 THR C C 25 175.209 176.119 -0.910 1
1 148 . 7 1 1 A 25 25 THR CA C 25 60.598 61.237 -0.639 1
1 149 . 7 1 1 A 25 25 THR CB C 25 70.801 70.417 0.384 1
1 151 . 7 1 1 A 25 25 THR N N 25 113.078 114.671 -1.593 1
1 152 . 7 1 1 A 26 26 GLU H H 26 8.991 8.945 0.046 1
1 153 . 7 1 1 A 26 26 GLU HA H 26 4.036 3.978 0.058 1
1 158 . 7 1 1 A 26 26 GLU C C 26 179.118 178.630 0.488 1
1 159 . 7 1 1 A 26 26 GLU CA C 26 60.222 59.842 0.380 1
1 160 . 7 1 1 A 26 26 GLU CB C 26 29.271 29.368 -0.097 1
1 162 . 7 1 1 A 26 26 GLU N N 26 120.978 122.427 -1.449 1
1 163 . 7 1 1 A 27 27 LEU H H 27 8.120 8.119 0.001 1
1 164 . 7 1 1 A 27 27 LEU HA H 27 4.117 4.013 0.104 1
1 174 . 7 1 1 A 27 27 LEU C C 27 180.623 178.950 1.673 1
1 175 . 7 1 1 A 27 27 LEU CA C 27 58.187 58.077 0.110 1
1 176 . 7 1 1 A 27 27 LEU CB C 27 42.220 42.008 0.212 1
1 180 . 7 1 1 A 27 27 LEU N N 27 118.897 121.120 -2.223 1
1 181 . 7 1 1 A 28 28 GLN H H 28 7.733 7.956 -0.223 1
1 182 . 7 1 1 A 28 28 GLN HA H 28 3.864 4.042 -0.178 1
1 189 . 7 1 1 A 28 28 GLN C C 28 177.492 179.072 -1.580 1
1 190 . 7 1 1 A 28 28 GLN CA C 28 59.212 58.785 0.427 1
1 191 . 7 1 1 A 28 28 GLN CB C 28 27.740 28.255 -0.515 1
1 193 . 7 1 1 A 28 28 GLN N N 28 119.947 117.902 2.045 1
1 195 . 7 1 1 A 29 29 LEU H H 29 8.336 8.459 -0.123 1
1 196 . 7 1 1 A 29 29 LEU HA H 29 3.665 3.803 -0.138 1
1 206 . 7 1 1 A 29 29 LEU C C 29 179.118 178.631 0.487 1
1 207 . 7 1 1 A 29 29 LEU CA C 29 58.068 57.750 0.318 1
1 208 . 7 1 1 A 29 29 LEU CB C 29 41.582 41.527 0.055 1
1 212 . 7 1 1 A 29 29 LEU N N 29 118.154 119.568 -1.414 1
1 213 . 7 1 1 A 30 30 MET H H 30 8.282 8.270 0.012 1
1 214 . 7 1 1 A 30 30 MET HA H 30 4.118 4.043 0.075 1
1 222 . 7 1 1 A 30 30 MET C C 30 179.070 178.664 0.406 1
1 223 . 7 1 1 A 30 30 MET CA C 30 58.583 58.497 0.086 1
1 224 . 7 1 1 A 30 30 MET CB C 30 32.665 32.340 0.325 1
1 227 . 7 1 1 A 30 30 MET N N 30 117.314 118.707 -1.393 1
1 228 . 7 1 1 A 31 31 GLY H H 31 7.904 7.966 -0.062 1
1 229 . 7 1 1 A 31 31 GLY HA2 H 31 3.787 3.613 0.174 1
1 230 . 7 1 1 A 31 31 GLY HA3 H 31 3.631 3.627 0.004 1
1 231 . 7 1 1 A 31 31 GLY C C 31 176.618 175.226 1.392 1
1 232 . 7 1 1 A 31 31 GLY CA C 31 47.231 47.024 0.207 1
1 233 . 7 1 1 A 31 31 GLY N N 31 107.053 106.767 0.286 1
1 234 . 7 1 1 A 32 32 LEU H H 32 7.982 8.337 -0.355 1
1 235 . 7 1 1 A 32 32 LEU HA H 32 3.577 3.827 -0.250 1
1 245 . 7 1 1 A 32 32 LEU C C 32 177.564 179.351 -1.787 1
1 246 . 7 1 1 A 32 32 LEU CA C 32 58.318 57.394 0.924 1
1 247 . 7 1 1 A 32 32 LEU CB C 32 38.280 41.025 -2.745 1
1 251 . 7 1 1 A 32 32 LEU N N 32 125.323 122.038 3.285 1
1 252 . 7 1 1 A 33 33 GLU H H 33 8.054 8.083 -0.029 1
1 253 . 7 1 1 A 33 33 GLU HA H 33 4.283 3.971 0.312 1
1 258 . 7 1 1 A 33 33 GLU C C 33 180.041 179.968 0.073 1
1 259 . 7 1 1 A 33 33 GLU CA C 33 59.157 59.480 -0.323 1
1 260 . 7 1 1 A 33 33 GLU CB C 33 29.155 29.134 0.021 1
1 262 . 7 1 1 A 33 33 GLU N N 33 118.448 118.551 -0.103 1
1 263 . 7 1 1 A 34 34 LYS H H 34 8.229 7.542 0.687 1
1 264 . 7 1 1 A 34 34 LYS HA H 34 4.099 4.023 0.076 1
1 271 . 7 1 1 A 34 34 LYS C C 34 179.822 179.315 0.507 1
1 272 . 7 1 1 A 34 34 LYS CA C 34 58.789 59.294 -0.505 1
1 273 . 7 1 1 A 34 34 LYS CB C 34 32.073 32.061 0.012 1
1 277 . 7 1 1 A 34 34 LYS N N 34 118.230 121.156 -2.926 1
1 278 . 7 1 1 A 35 35 ARG H H 35 7.560 7.789 -0.229 1
1 279 . 7 1 1 A 35 35 ARG HA H 35 4.190 4.105 0.085 1
1 286 . 7 1 1 A 35 35 ARG C C 35 178.001 178.824 -0.823 1
1 287 . 7 1 1 A 35 35 ARG CA C 35 57.095 59.123 -2.028 1
1 288 . 7 1 1 A 35 35 ARG CB C 35 28.882 30.349 -1.467 1
1 291 . 7 1 1 A 35 35 ARG N N 35 120.162 119.173 0.989 1
1 292 . 7 1 1 A 36 36 PHE H H 36 8.810 8.264 0.546 1
1 293 . 7 1 1 A 36 36 PHE HA H 36 4.227 4.085 0.142 1
1 301 . 7 1 1 A 36 36 PHE C C 36 176.520 177.047 -0.527 1
1 302 . 7 1 1 A 36 36 PHE CA C 36 60.886 60.940 -0.054 1
1 303 . 7 1 1 A 36 36 PHE CB C 36 39.333 38.659 0.674 1
1 309 . 7 1 1 A 36 36 PHE N N 36 122.860 120.781 2.079 1
1 310 . 7 1 1 A 37 37 GLU H H 37 7.772 8.442 -0.670 1
1 311 . 7 1 1 A 37 37 GLU HA H 37 3.701 4.180 -0.479 1
1 316 . 7 1 1 A 37 37 GLU C C 37 177.297 178.898 -1.601 1
1 317 . 7 1 1 A 37 37 GLU CA C 37 59.036 59.241 -0.205 1
1 318 . 7 1 1 A 37 37 GLU CB C 37 29.981 29.495 0.486 1
1 320 . 7 1 1 A 37 37 GLU N N 37 116.313 118.011 -1.698 1
1 321 . 7 1 1 A 38 38 LYS H H 38 7.005 7.359 -0.354 1
1 322 . 7 1 1 A 38 38 LYS HA H 38 4.280 4.190 0.090 1
1 329 . 7 1 1 A 38 38 LYS C C 38 177.079 176.551 0.528 1
1 330 . 7 1 1 A 38 38 LYS CA C 38 56.741 59.303 -2.562 1
1 331 . 7 1 1 A 38 38 LYS CB C 38 34.301 32.453 1.848 1
1 335 . 7 1 1 A 38 38 LYS N N 38 114.632 118.735 -4.103 1
1 336 . 7 1 1 A 39 39 GLN H H 39 8.641 8.092 0.549 1
1 337 . 7 1 1 A 39 39 GLN HA H 39 4.509 4.497 0.012 1
1 344 . 7 1 1 A 39 39 GLN C C 39 173.340 175.995 -2.655 1
1 345 . 7 1 1 A 39 39 GLN CA C 39 55.527 54.565 0.962 1
1 346 . 7 1 1 A 39 39 GLN CB C 39 31.827 29.971 1.856 1
1 348 . 7 1 1 A 39 39 GLN N N 39 120.830 118.200 2.630 1
1 350 . 7 1 1 A 40 40 LYS H H 40 8.474 8.418 0.056 1
1 351 . 7 1 1 A 40 40 LYS HA H 40 3.598 3.129 0.469 1
1 360 . 7 1 1 A 40 40 LYS C C 40 174.530 175.834 -1.304 1
1 361 . 7 1 1 A 40 40 LYS CA C 40 56.459 59.112 -2.653 1
1 362 . 7 1 1 A 40 40 LYS CB C 40 32.276 31.817 0.459 1
1 366 . 7 1 1 A 40 40 LYS N N 40 125.122 126.797 -1.675 1
1 367 . 7 1 1 A 41 41 TYR H H 41 7.513 7.724 -0.211 1
1 368 . 7 1 1 A 41 41 TYR HA H 41 4.537 5.239 -0.702 1
1 375 . 7 1 1 A 41 41 TYR C C 41 174.700 174.637 0.063 1
1 376 . 7 1 1 A 41 41 TYR CA C 41 56.743 56.491 0.252 1
1 377 . 7 1 1 A 41 41 TYR CB C 41 41.274 42.098 -0.824 1
1 382 . 7 1 1 A 41 41 TYR N N 41 113.703 115.562 -1.859 1
1 383 . 7 1 1 A 42 42 LEU H H 42 8.544 9.006 -0.462 1
1 384 . 7 1 1 A 42 42 LEU HA H 42 4.610 5.047 -0.437 1
1 394 . 7 1 1 A 42 42 LEU C C 42 177.273 175.538 1.735 1
1 395 . 7 1 1 A 42 42 LEU CA C 42 53.408 53.227 0.181 1
1 396 . 7 1 1 A 42 42 LEU CB C 42 44.040 44.782 -0.742 1
1 400 . 7 1 1 A 42 42 LEU N N 42 123.003 122.348 0.655 1
1 401 . 7 1 1 A 43 43 SER H H 43 8.651 8.678 -0.027 1
1 402 . 7 1 1 A 43 43 SER HA H 43 4.621 4.556 0.065 1
1 405 . 7 1 1 A 43 43 SER C C 43 174.530 175.600 -1.070 1
1 406 . 7 1 1 A 43 43 SER CA C 43 57.053 58.471 -1.418 1
1 407 . 7 1 1 A 43 43 SER CB C 43 64.786 63.558 1.228 1
1 408 . 7 1 1 A 43 43 SER N N 43 118.850 117.941 0.909 1
1 409 . 7 1 1 A 44 44 THR H H 44 9.159 8.785 0.374 1
1 410 . 7 1 1 A 44 44 THR HA H 44 4.428 3.979 0.449 1
1 415 . 7 1 1 A 44 44 THR C C 44 175.428 173.456 1.972 1
1 416 . 7 1 1 A 44 44 THR CA C 44 66.563 67.738 -1.175 1
1 417 . 7 1 1 A 44 44 THR CB C 44 69.210 67.943 1.267 1
1 419 . 7 1 1 A 44 44 THR N N 44 117.903 121.494 -3.591 1
1 420 . 7 1 1 A 45 45 PRO HA H 45 4.188 4.284 -0.096 1
1 427 . 7 1 1 A 45 45 PRO C C 45 179.312 178.695 0.617 1
1 428 . 7 1 1 A 45 45 PRO CA C 45 66.163 66.223 -0.060 1
1 429 . 7 1 1 A 45 45 PRO CB C 45 30.975 30.550 0.425 1
1 432 . 7 1 1 A 46 46 ASP H H 46 7.289 8.398 -1.109 1
1 433 . 7 1 1 A 46 46 ASP HA H 46 4.387 4.319 0.068 1
1 436 . 7 1 1 A 46 46 ASP C C 46 178.390 178.559 -0.169 1
1 437 . 7 1 1 A 46 46 ASP CA C 46 56.974 57.572 -0.598 1
1 438 . 7 1 1 A 46 46 ASP CB C 46 41.498 40.486 1.012 1
1 439 . 7 1 1 A 46 46 ASP N N 46 117.060 117.839 -0.779 1
1 440 . 7 1 1 A 47 47 ARG H H 47 8.493 8.172 0.321 1
1 441 . 7 1 1 A 47 47 ARG HA H 47 3.754 3.973 -0.219 1
1 448 . 7 1 1 A 47 47 ARG C C 47 177.880 178.650 -0.770 1
1 449 . 7 1 1 A 47 47 ARG CA C 47 60.123 58.807 1.316 1
1 450 . 7 1 1 A 47 47 ARG CB C 47 30.355 29.861 0.494 1
1 453 . 7 1 1 A 47 47 ARG N N 47 122.143 119.874 2.269 1
1 454 . 7 1 1 A 48 48 ILE H H 48 8.219 7.947 0.272 1
1 455 . 7 1 1 A 48 48 ILE HA H 48 3.475 3.657 -0.182 1
1 465 . 7 1 1 A 48 48 ILE C C 48 178.026 177.796 0.230 1
1 466 . 7 1 1 A 48 48 ILE CA C 48 66.105 65.305 0.800 1
1 467 . 7 1 1 A 48 48 ILE CB C 48 38.440 37.976 0.464 1
1 471 . 7 1 1 A 48 48 ILE N N 48 119.888 120.419 -0.531 1
1 472 . 7 1 1 A 49 49 ASP H H 49 7.775 8.188 -0.413 1
1 473 . 7 1 1 A 49 49 ASP HA H 49 4.406 4.269 0.137 1
1 476 . 7 1 1 A 49 49 ASP C C 49 178.900 178.273 0.627 1
1 477 . 7 1 1 A 49 49 ASP CA C 49 57.380 57.445 -0.065 1
1 478 . 7 1 1 A 49 49 ASP CB C 49 41.523 41.277 0.246 1
1 479 . 7 1 1 A 49 49 ASP N N 49 119.245 120.500 -1.255 1
1 480 . 7 1 1 A 50 50 LEU H H 50 8.344 7.821 0.523 1
1 481 . 7 1 1 A 50 50 LEU HA H 50 4.090 4.051 0.039 1
1 491 . 7 1 1 A 50 50 LEU C C 50 178.705 178.198 0.507 1
1 492 . 7 1 1 A 50 50 LEU CA C 50 57.651 58.091 -0.440 1
1 493 . 7 1 1 A 50 50 LEU CB C 50 42.526 41.946 0.580 1
1 497 . 7 1 1 A 50 50 LEU N N 50 121.649 120.587 1.062 1
1 498 . 7 1 1 A 51 51 ALA H H 51 8.513 8.234 0.279 1
1 499 . 7 1 1 A 51 51 ALA HA H 51 3.611 3.955 -0.344 1
1 503 . 7 1 1 A 51 51 ALA C C 51 179.749 179.045 0.704 1
1 504 . 7 1 1 A 51 51 ALA CA C 51 56.139 54.804 1.335 1
1 505 . 7 1 1 A 51 51 ALA CB C 51 17.519 18.608 -1.089 1
1 506 . 7 1 1 A 51 51 ALA N N 51 120.902 120.299 0.603 1
1 507 . 7 1 1 A 52 52 GLU H H 52 8.285 7.577 0.708 1
1 508 . 7 1 1 A 52 52 GLU HA H 52 4.097 4.182 -0.085 1
1 513 . 7 1 1 A 52 52 GLU C C 52 180.114 179.053 1.061 1
1 514 . 7 1 1 A 52 52 GLU CA C 52 59.307 58.932 0.375 1
1 515 . 7 1 1 A 52 52 GLU CB C 52 29.408 29.189 0.219 1
1 517 . 7 1 1 A 52 52 GLU N N 52 116.933 117.863 -0.930 1
1 518 . 7 1 1 A 53 53 SER H H 53 8.229 8.237 -0.008 1
1 519 . 7 1 1 A 53 53 SER HA H 53 4.251 4.264 -0.013 1
1 522 . 7 1 1 A 53 53 SER C C 53 176.059 176.078 -0.019 1
1 523 . 7 1 1 A 53 53 SER CA C 53 61.347 61.324 0.023 1
1 524 . 7 1 1 A 53 53 SER CB C 53 63.235 62.946 0.289 1
1 525 . 7 1 1 A 53 53 SER N N 53 114.615 116.006 -1.391 1
1 526 . 7 1 1 A 54 54 LEU H H 54 7.675 7.513 0.162 1
1 527 . 7 1 1 A 54 54 LEU HA H 54 4.513 4.367 0.146 1
1 537 . 7 1 1 A 54 54 LEU C C 54 177.516 177.296 0.220 1
1 538 . 7 1 1 A 54 54 LEU CA C 54 54.422 55.413 -0.991 1
1 539 . 7 1 1 A 54 54 LEU CB C 54 43.880 42.796 1.084 1
1 543 . 7 1 1 A 54 54 LEU N N 54 117.401 118.702 -1.301 1
1 544 . 7 1 1 A 55 55 GLY H H 55 7.941 8.080 -0.139 1
1 545 . 7 1 1 A 55 55 GLY HA2 H 55 3.982 3.935 0.047 1
1 546 . 7 1 1 A 55 55 GLY HA3 H 55 4.026 3.935 0.091 1
1 547 . 7 1 1 A 55 55 GLY C C 55 174.360 174.447 -0.087 1
1 548 . 7 1 1 A 55 55 GLY CA C 55 46.728 45.605 1.123 1
1 549 . 7 1 1 A 55 55 GLY N N 55 111.061 106.503 4.558 1
1 550 . 7 1 1 A 56 56 LEU H H 56 8.190 8.030 0.160 1
1 551 . 7 1 1 A 56 56 LEU HA H 56 4.803 4.758 0.045 1
1 561 . 7 1 1 A 56 56 LEU C C 56 175.914 176.020 -0.106 1
1 562 . 7 1 1 A 56 56 LEU CA C 56 52.510 53.683 -1.173 1
1 563 . 7 1 1 A 56 56 LEU CB C 56 47.484 43.172 4.312 1
1 567 . 7 1 1 A 56 56 LEU N N 56 119.967 121.644 -1.677 1
1 568 . 7 1 1 A 57 57 SER H H 57 9.037 8.992 0.045 1
1 569 . 7 1 1 A 57 57 SER HA H 57 4.423 4.675 -0.252 1
1 572 . 7 1 1 A 57 57 SER C C 57 176.618 175.479 1.139 1
1 573 . 7 1 1 A 57 57 SER CA C 57 56.189 58.173 -1.984 1
1 574 . 7 1 1 A 57 57 SER CB C 57 65.579 63.980 1.599 1
1 575 . 7 1 1 A 57 57 SER N N 57 115.098 117.857 -2.759 1
1 576 . 7 1 1 A 58 58 GLN HA H 58 3.741 3.949 -0.208 1
1 583 . 7 1 1 A 58 58 GLN C C 58 177.904 178.084 -0.180 1
1 584 . 7 1 1 A 58 58 GLN CA C 58 60.504 59.114 1.390 1
1 585 . 7 1 1 A 58 58 GLN CB C 58 28.365 28.254 0.111 1
1 588 . 7 1 1 A 59 59 LEU H H 59 8.207 8.139 0.068 1
1 589 . 7 1 1 A 59 59 LEU HA H 59 4.192 4.072 0.120 1
1 599 . 7 1 1 A 59 59 LEU C C 59 179.871 178.812 1.059 1
1 600 . 7 1 1 A 59 59 LEU CA C 59 57.878 58.082 -0.204 1
1 601 . 7 1 1 A 59 59 LEU CB C 59 41.747 41.936 -0.189 1
1 605 . 7 1 1 A 59 59 LEU N N 59 120.246 121.300 -1.054 1
1 606 . 7 1 1 A 60 60 GLN H H 60 8.125 8.514 -0.389 1
1 607 . 7 1 1 A 60 60 GLN HA H 60 4.214 4.207 0.007 1
1 614 . 7 1 1 A 60 60 GLN C C 60 179.434 178.847 0.587 1
1 615 . 7 1 1 A 60 60 GLN CA C 60 59.530 59.110 0.420 1
1 616 . 7 1 1 A 60 60 GLN CB C 60 29.651 28.590 1.061 1
1 618 . 7 1 1 A 60 60 GLN N N 60 120.637 117.789 2.848 1
1 620 . 7 1 1 A 61 61 VAL H H 61 7.717 8.168 -0.451 1
1 621 . 7 1 1 A 61 61 VAL HA H 61 3.673 3.794 -0.121 1
1 629 . 7 1 1 A 61 61 VAL C C 61 176.982 177.921 -0.939 1
1 630 . 7 1 1 A 61 61 VAL CA C 61 67.670 67.163 0.507 1
1 631 . 7 1 1 A 61 61 VAL CB C 61 31.899 31.494 0.405 1
1 634 . 7 1 1 A 61 61 VAL N N 61 118.389 120.132 -1.743 1
1 635 . 7 1 1 A 62 62 LYS H H 62 8.578 8.038 0.540 1
1 636 . 7 1 1 A 62 62 LYS HA H 62 4.423 4.083 0.340 1
1 644 . 7 1 1 A 62 62 LYS C C 62 179.749 178.950 0.799 1
1 645 . 7 1 1 A 62 62 LYS CA C 62 59.821 59.895 -0.074 1
1 646 . 7 1 1 A 62 62 LYS CB C 62 33.793 32.519 1.274 1
1 650 . 7 1 1 A 62 62 LYS N N 62 120.540 120.558 -0.018 1
1 651 . 7 1 1 A 63 63 THR H H 63 8.722 8.641 0.081 1
1 652 . 7 1 1 A 63 63 THR HA H 63 4.007 4.004 0.003 1
1 657 . 7 1 1 A 63 63 THR C C 63 176.059 176.655 -0.596 1
1 658 . 7 1 1 A 63 63 THR CA C 63 66.527 67.043 -0.516 1
1 659 . 7 1 1 A 63 63 THR CB C 63 69.236 68.685 0.551 1
1 661 . 7 1 1 A 63 63 THR N N 63 115.962 114.515 1.447 1
1 662 . 7 1 1 A 64 64 TRP H H 64 8.506 8.777 -0.271 1
1 663 . 7 1 1 A 64 64 TRP HA H 64 4.064 4.227 -0.163 1
1 672 . 7 1 1 A 64 64 TRP C C 64 179.264 178.074 1.190 1
1 673 . 7 1 1 A 64 64 TRP CA C 64 63.070 61.162 1.908 1
1 674 . 7 1 1 A 64 64 TRP CB C 64 29.048 29.669 -0.621 1
1 680 . 7 1 1 A 64 64 TRP N N 64 123.609 121.337 2.272 1
1 682 . 7 1 1 A 65 65 TYR H H 65 9.152 9.031 0.121 1
1 683 . 7 1 1 A 65 65 TYR HA H 65 3.660 4.574 -0.914 1
1 690 . 7 1 1 A 65 65 TYR C C 65 178.535 178.523 0.012 1
1 691 . 7 1 1 A 65 65 TYR CA C 65 63.749 61.910 1.839 1
1 692 . 7 1 1 A 65 65 TYR CB C 65 39.082 38.593 0.489 1
1 697 . 7 1 1 A 65 65 TYR N N 65 121.400 118.727 2.673 1
1 698 . 7 1 1 A 66 66 GLN H H 66 7.981 8.353 -0.372 1
1 699 . 7 1 1 A 66 66 GLN HA H 66 4.036 4.004 0.032 1
1 706 . 7 1 1 A 66 66 GLN C C 66 179.045 178.648 0.397 1
1 707 . 7 1 1 A 66 66 GLN CA C 66 59.255 59.355 -0.100 1
1 708 . 7 1 1 A 66 66 GLN CB C 66 28.207 28.393 -0.186 1
1 710 . 7 1 1 A 66 66 GLN N N 66 116.821 118.909 -2.088 1
1 712 . 7 1 1 A 67 67 ASN H H 67 7.862 8.307 -0.445 1
1 713 . 7 1 1 A 67 67 ASN HA H 67 4.367 4.367 0.000 1
1 718 . 7 1 1 A 67 67 ASN C C 67 177.759 178.145 -0.386 1
1 719 . 7 1 1 A 67 67 ASN CA C 67 55.852 56.136 -0.284 1
1 720 . 7 1 1 A 67 67 ASN CB C 67 38.119 37.563 0.556 1
1 721 . 7 1 1 A 67 67 ASN N N 67 118.257 118.446 -0.189 1
1 723 . 7 1 1 A 68 68 ARG H H 68 8.533 7.733 0.800 1
1 724 . 7 1 1 A 68 68 ARG HA H 68 3.430 3.658 -0.228 1
1 732 . 7 1 1 A 68 68 ARG C C 68 179.992 179.266 0.726 1
1 733 . 7 1 1 A 68 68 ARG CA C 68 56.391 59.611 -3.220 1
1 734 . 7 1 1 A 68 68 ARG CB C 68 27.959 29.244 -1.285 1
1 737 . 7 1 1 A 68 68 ARG N N 68 123.922 119.453 4.469 1
1 739 . 7 1 1 A 69 69 ARG H H 69 8.226 8.250 -0.024 1
1 740 . 7 1 1 A 69 69 ARG HA H 69 4.357 4.277 0.080 1
1 747 . 7 1 1 A 69 69 ARG C C 69 178.535 179.318 -0.783 1
1 748 . 7 1 1 A 69 69 ARG CA C 69 60.681 59.782 0.899 1
1 749 . 7 1 1 A 69 69 ARG CB C 69 31.938 29.953 1.985 1
1 752 . 7 1 1 A 69 69 ARG N N 69 118.839 119.400 -0.561 1
1 753 . 7 1 1 A 70 70 MET H H 70 7.480 7.832 -0.352 1
1 754 . 7 1 1 A 70 70 MET HA H 70 4.287 4.112 0.175 1
1 762 . 7 1 1 A 70 70 MET C C 70 178.098 178.585 -0.487 1
1 763 . 7 1 1 A 70 70 MET CA C 70 58.381 58.733 -0.352 1
1 764 . 7 1 1 A 70 70 MET CB C 70 32.011 32.753 -0.742 1
1 767 . 7 1 1 A 70 70 MET N N 70 118.164 119.529 -1.365 1
1 768 . 7 1 1 A 71 71 LYS H H 71 7.298 7.779 -0.481 1
1 769 . 7 1 1 A 71 71 LYS HA H 71 4.086 4.020 0.066 1
1 778 . 7 1 1 A 71 71 LYS C C 71 177.831 178.245 -0.414 1
1 779 . 7 1 1 A 71 71 LYS CA C 71 58.324 58.816 -0.492 1
1 780 . 7 1 1 A 71 71 LYS CB C 71 32.732 31.920 0.812 1
1 784 . 7 1 1 A 71 71 LYS N N 71 118.798 119.653 -0.855 1
1 785 . 7 1 1 A 72 72 TRP H H 72 7.952 8.625 -0.673 1
1 786 . 7 1 1 A 72 72 TRP HA H 72 4.721 4.219 0.502 1
1 795 . 7 1 1 A 72 72 TRP C C 72 177.152 177.017 0.135 1
1 796 . 7 1 1 A 72 72 TRP CA C 72 58.506 60.596 -2.090 1
1 797 . 7 1 1 A 72 72 TRP CB C 72 29.602 29.607 -0.005 1
1 803 . 7 1 1 A 72 72 TRP N N 72 121.455 122.231 -0.776 1
1 805 . 7 1 1 A 73 73 LYS H H 73 8.241 7.946 0.295 1
1 806 . 7 1 1 A 73 73 LYS HA H 73 3.781 3.672 0.109 1
1 815 . 7 1 1 A 73 73 LYS C C 73 176.957 176.155 0.802 1
1 816 . 7 1 1 A 73 73 LYS CA C 73 57.074 56.669 0.405 1
1 817 . 7 1 1 A 73 73 LYS CB C 73 32.567 32.768 -0.201 1
1 821 . 7 1 1 A 73 73 LYS N N 73 120.065 119.133 0.932 1
1 822 . 7 1 1 A 74 74 LYS H H 74 7.705 8.163 -0.458 1
1 823 . 7 1 1 A 74 74 LYS HA H 74 4.154 4.569 -0.415 1
1 830 . 7 1 1 A 74 74 LYS C C 74 176.836 175.235 1.601 1
1 831 . 7 1 1 A 74 74 LYS CA C 74 57.028 55.151 1.877 1
1 832 . 7 1 1 A 74 74 LYS CB C 74 32.402 33.037 -0.635 1
1 836 . 7 1 1 A 74 74 LYS N N 74 120.036 125.843 -5.807 1
1 837 . 7 1 1 A 75 75 SER H H 75 7.986 8.796 -0.810 1
1 838 . 7 1 1 A 75 75 SER HA H 75 4.470 4.742 -0.272 1
1 841 . 7 1 1 A 75 75 SER C C 75 174.530 173.847 0.683 1
1 842 . 7 1 1 A 75 75 SER CA C 75 58.786 56.675 2.111 1
1 843 . 7 1 1 A 75 75 SER CB C 75 63.975 63.541 0.434 1
1 844 . 7 1 1 A 75 75 SER N N 75 115.488 123.464 -7.976 1
1 845 . 7 1 1 A 76 76 GLY H H 76 8.040 8.611 -0.571 1
1 846 . 7 1 1 A 76 76 GLY HA2 H 76 4.076 3.830 0.246 1
1 847 . 7 1 1 A 76 76 GLY HA3 H 76 4.099 3.832 0.267 1
1 848 . 7 1 1 A 76 76 GLY C C 76 171.835 174.966 -3.131 1
1 849 . 7 1 1 A 76 76 GLY CA C 76 44.789 46.699 -1.910 1
1 850 . 7 1 1 A 76 76 GLY N N 76 110.454 114.238 -3.784 1
1 851 . 7 1 1 A 77 77 PRO HA H 77 4.456 4.347 0.109 1
1 856 . 7 1 1 A 77 77 PRO CA C 77 63.323 63.589 -0.266 1
1 857 . 7 1 1 A 77 77 PRO CB C 77 32.209 31.959 0.250 1
1 860 . 7 1 1 A 79 79 SER HA H 79 4.506 4.751 -0.245 1
1 863 . 7 1 1 A 79 79 SER C C 79 173.947 175.026 -1.079 1
1 864 . 7 1 1 A 79 79 SER CA C 79 58.433 57.719 0.714 1
1 865 . 7 1 1 A 79 79 SER CB C 79 63.960 64.525 -0.565 1
1 1 . 8 1 1 A 7 7 GLY HA2 H 7 4.014 4.338 -0.324 1
1 2 . 8 1 1 A 7 7 GLY HA3 H 7 4.014 4.338 -0.324 1
1 3 . 8 1 1 A 7 7 GLY C C 7 174.578 173.404 1.174 1
1 4 . 8 1 1 A 7 7 GLY CA C 7 45.445 45.886 -0.441 1
1 5 . 8 1 1 A 8 8 GLY H H 8 8.219 8.641 -0.422 1
1 6 . 8 1 1 A 8 8 GLY HA2 H 8 3.959 3.992 -0.033 1
1 7 . 8 1 1 A 8 8 GLY HA3 H 8 3.959 3.992 -0.033 1
1 8 . 8 1 1 A 8 8 GLY C C 8 173.898 174.936 -1.038 1
1 9 . 8 1 1 A 8 8 GLY CA C 8 44.923 45.977 -1.054 1
1 10 . 8 1 1 A 8 8 GLY N N 8 108.655 107.327 1.328 1
1 11 . 8 1 1 A 9 9 GLU H H 9 8.378 7.951 0.427 1
1 12 . 8 1 1 A 9 9 GLU HA H 9 4.586 4.396 0.190 1
1 16 . 8 1 1 A 9 9 GLU C C 9 175.015 174.821 0.194 1
1 17 . 8 1 1 A 9 9 GLU CA C 9 54.661 54.847 -0.186 1
1 18 . 8 1 1 A 9 9 GLU CB C 9 29.534 29.440 0.094 1
1 20 . 8 1 1 A 9 9 GLU N N 9 121.838 119.579 2.259 1
1 21 . 8 1 1 A 10 10 PRO HA H 10 4.428 4.511 -0.083 1
1 28 . 8 1 1 A 10 10 PRO C C 10 177.856 176.530 1.326 1
1 29 . 8 1 1 A 10 10 PRO CA C 10 63.767 62.465 1.302 1
1 30 . 8 1 1 A 10 10 PRO CB C 10 32.080 32.526 -0.446 1
1 33 . 8 1 1 A 11 11 GLY H H 11 8.556 8.524 0.032 1
1 34 . 8 1 1 A 11 11 GLY HA2 H 11 3.997 4.016 -0.019 1
1 35 . 8 1 1 A 11 11 GLY HA3 H 11 3.997 4.017 -0.020 1
1 36 . 8 1 1 A 11 11 GLY C C 11 174.724 174.376 0.348 1
1 37 . 8 1 1 A 11 11 GLY CA C 11 45.529 45.721 -0.192 1
1 38 . 8 1 1 A 11 11 GLY N N 11 108.931 108.644 0.287 1
1 39 . 8 1 1 A 12 12 THR H H 12 7.973 8.796 -0.823 1
1 40 . 8 1 1 A 12 12 THR HA H 12 4.306 4.499 -0.193 1
1 45 . 8 1 1 A 12 12 THR C C 12 174.942 175.210 -0.268 1
1 46 . 8 1 1 A 12 12 THR CA C 12 62.240 63.701 -1.461 1
1 47 . 8 1 1 A 12 12 THR CB C 12 69.882 70.303 -0.421 1
1 49 . 8 1 1 A 12 12 THR N N 12 113.454 117.856 -4.402 1
1 50 . 8 1 1 A 13 13 LYS H H 13 8.313 8.086 0.227 1
1 51 . 8 1 1 A 13 13 LYS HA H 13 4.281 4.453 -0.172 1
1 58 . 8 1 1 A 13 13 LYS C C 13 176.520 176.744 -0.224 1
1 59 . 8 1 1 A 13 13 LYS CA C 13 56.565 57.637 -1.072 1
1 60 . 8 1 1 A 13 13 LYS CB C 13 32.590 33.754 -1.164 1
1 64 . 8 1 1 A 13 13 LYS N N 13 123.479 118.741 4.738 1
1 65 . 8 1 1 A 14 14 ALA H H 14 8.192 7.899 0.293 1
1 66 . 8 1 1 A 14 14 ALA HA H 14 4.272 4.343 -0.071 1
1 70 . 8 1 1 A 14 14 ALA C C 14 177.807 177.562 0.245 1
1 71 . 8 1 1 A 14 14 ALA CA C 14 52.581 51.749 0.832 1
1 72 . 8 1 1 A 14 14 ALA CB C 14 19.258 18.216 1.042 1
1 73 . 8 1 1 A 14 14 ALA N N 14 124.692 120.774 3.918 1
1 74 . 8 1 1 A 15 15 LYS H H 15 8.264 8.492 -0.228 1
1 75 . 8 1 1 A 15 15 LYS HA H 15 4.296 4.571 -0.275 1
1 81 . 8 1 1 A 15 15 LYS C C 15 176.812 176.355 0.457 1
1 82 . 8 1 1 A 15 15 LYS CA C 15 56.403 56.736 -0.333 1
1 83 . 8 1 1 A 15 15 LYS CB C 15 32.979 34.268 -1.289 1
1 87 . 8 1 1 A 15 15 LYS N N 15 120.979 119.515 1.464 1
1 88 . 8 1 1 A 16 16 LYS H H 16 8.330 7.694 0.636 1
1 89 . 8 1 1 A 16 16 LYS HA H 16 4.289 4.765 -0.476 1
1 93 . 8 1 1 A 16 16 LYS C C 16 177.103 174.765 2.338 1
1 94 . 8 1 1 A 16 16 LYS CB C 16 33.072 36.024 -2.952 1
1 98 . 8 1 1 A 16 16 LYS N N 16 122.581 119.447 3.134 1
1 99 . 8 1 1 A 22 22 THR HA H 22 4.294 4.849 -0.555 1
1 104 . 8 1 1 A 22 22 THR C C 22 174.020 174.603 -0.583 1
1 105 . 8 1 1 A 22 22 THR CA C 22 61.928 60.773 1.155 1
1 106 . 8 1 1 A 22 22 THR CB C 22 69.730 70.652 -0.922 1
1 108 . 8 1 1 A 23 23 VAL H H 23 8.087 8.467 -0.380 1
1 109 . 8 1 1 A 23 23 VAL HA H 23 4.112 4.372 -0.260 1
1 117 . 8 1 1 A 23 23 VAL C C 23 175.646 174.355 1.291 1
1 118 . 8 1 1 A 23 23 VAL CA C 23 62.011 61.029 0.982 1
1 119 . 8 1 1 A 23 23 VAL CB C 23 33.060 31.735 1.325 1
1 122 . 8 1 1 A 23 23 VAL N N 23 123.252 126.603 -3.351 1
1 123 . 8 1 1 A 24 24 PHE H H 24 8.220 7.659 0.561 1
1 124 . 8 1 1 A 24 24 PHE HA H 24 4.976 5.202 -0.226 1
1 132 . 8 1 1 A 24 24 PHE C C 24 176.739 175.691 1.048 1
1 133 . 8 1 1 A 24 24 PHE CA C 24 56.389 55.703 0.686 1
1 134 . 8 1 1 A 24 24 PHE CB C 24 40.492 42.150 -1.658 1
1 140 . 8 1 1 A 24 24 PHE N N 24 123.332 122.056 1.276 1
1 141 . 8 1 1 A 25 25 THR H H 25 9.003 8.622 0.381 1
1 142 . 8 1 1 A 25 25 THR HA H 25 4.470 4.730 -0.260 1
1 147 . 8 1 1 A 25 25 THR C C 25 175.209 176.145 -0.936 1
1 148 . 8 1 1 A 25 25 THR CA C 25 60.598 60.536 0.062 1
1 149 . 8 1 1 A 25 25 THR CB C 25 70.801 71.279 -0.478 1
1 151 . 8 1 1 A 25 25 THR N N 25 113.078 114.838 -1.760 1
1 152 . 8 1 1 A 26 26 GLU H H 26 8.991 9.046 -0.055 1
1 153 . 8 1 1 A 26 26 GLU HA H 26 4.036 4.004 0.032 1
1 158 . 8 1 1 A 26 26 GLU C C 26 179.118 178.893 0.225 1
1 159 . 8 1 1 A 26 26 GLU CA C 26 60.222 59.506 0.716 1
1 160 . 8 1 1 A 26 26 GLU CB C 26 29.271 29.207 0.064 1
1 162 . 8 1 1 A 26 26 GLU N N 26 120.978 121.641 -0.663 1
1 163 . 8 1 1 A 27 27 LEU H H 27 8.120 8.116 0.004 1
1 164 . 8 1 1 A 27 27 LEU HA H 27 4.117 4.018 0.099 1
1 174 . 8 1 1 A 27 27 LEU C C 27 180.623 178.831 1.792 1
1 175 . 8 1 1 A 27 27 LEU CA C 27 58.187 58.051 0.136 1
1 176 . 8 1 1 A 27 27 LEU CB C 27 42.220 41.908 0.312 1
1 180 . 8 1 1 A 27 27 LEU N N 27 118.897 121.205 -2.308 1
1 181 . 8 1 1 A 28 28 GLN H H 28 7.733 7.958 -0.225 1
1 182 . 8 1 1 A 28 28 GLN HA H 28 3.864 3.923 -0.059 1
1 189 . 8 1 1 A 28 28 GLN C C 28 177.492 178.505 -1.013 1
1 190 . 8 1 1 A 28 28 GLN CA C 28 59.212 58.675 0.537 1
1 191 . 8 1 1 A 28 28 GLN CB C 28 27.740 28.045 -0.305 1
1 193 . 8 1 1 A 28 28 GLN N N 28 119.947 117.720 2.227 1
1 195 . 8 1 1 A 29 29 LEU H H 29 8.336 8.517 -0.181 1
1 196 . 8 1 1 A 29 29 LEU HA H 29 3.665 3.560 0.105 1
1 206 . 8 1 1 A 29 29 LEU C C 29 179.118 178.677 0.441 1
1 207 . 8 1 1 A 29 29 LEU CA C 29 58.068 57.745 0.323 1
1 208 . 8 1 1 A 29 29 LEU CB C 29 41.582 41.483 0.099 1
1 212 . 8 1 1 A 29 29 LEU N N 29 118.154 119.936 -1.782 1
1 213 . 8 1 1 A 30 30 MET H H 30 8.282 8.141 0.141 1
1 214 . 8 1 1 A 30 30 MET HA H 30 4.118 4.075 0.043 1
1 222 . 8 1 1 A 30 30 MET C C 30 179.070 178.787 0.283 1
1 223 . 8 1 1 A 30 30 MET CA C 30 58.583 58.746 -0.163 1
1 224 . 8 1 1 A 30 30 MET CB C 30 32.665 32.073 0.592 1
1 227 . 8 1 1 A 30 30 MET N N 30 117.314 118.678 -1.364 1
1 228 . 8 1 1 A 31 31 GLY H H 31 7.904 8.278 -0.374 1
1 229 . 8 1 1 A 31 31 GLY HA2 H 31 3.787 3.691 0.096 1
1 230 . 8 1 1 A 31 31 GLY HA3 H 31 3.631 3.716 -0.085 1
1 231 . 8 1 1 A 31 31 GLY C C 31 176.618 175.543 1.075 1
1 232 . 8 1 1 A 31 31 GLY CA C 31 47.231 47.406 -0.175 1
1 233 . 8 1 1 A 31 31 GLY N N 31 107.053 106.912 0.141 1
1 234 . 8 1 1 A 32 32 LEU H H 32 7.982 8.142 -0.160 1
1 235 . 8 1 1 A 32 32 LEU HA H 32 3.577 3.925 -0.348 1
1 245 . 8 1 1 A 32 32 LEU C C 32 177.564 179.258 -1.694 1
1 246 . 8 1 1 A 32 32 LEU CA C 32 58.318 57.557 0.761 1
1 247 . 8 1 1 A 32 32 LEU CB C 32 38.280 40.672 -2.392 1
1 251 . 8 1 1 A 32 32 LEU N N 32 125.323 122.082 3.241 1
1 252 . 8 1 1 A 33 33 GLU H H 33 8.054 8.304 -0.250 1
1 253 . 8 1 1 A 33 33 GLU HA H 33 4.283 4.215 0.068 1
1 258 . 8 1 1 A 33 33 GLU C C 33 180.041 179.443 0.598 1
1 259 . 8 1 1 A 33 33 GLU CA C 33 59.157 59.712 -0.555 1
1 260 . 8 1 1 A 33 33 GLU CB C 33 29.155 29.485 -0.330 1
1 262 . 8 1 1 A 33 33 GLU N N 33 118.448 118.318 0.130 1
1 263 . 8 1 1 A 34 34 LYS H H 34 8.229 8.206 0.023 1
1 264 . 8 1 1 A 34 34 LYS HA H 34 4.099 4.013 0.086 1
1 271 . 8 1 1 A 34 34 LYS C C 34 179.822 178.958 0.864 1
1 272 . 8 1 1 A 34 34 LYS CA C 34 58.789 59.516 -0.727 1
1 273 . 8 1 1 A 34 34 LYS CB C 34 32.073 32.477 -0.404 1
1 277 . 8 1 1 A 34 34 LYS N N 34 118.230 120.508 -2.278 1
1 278 . 8 1 1 A 35 35 ARG H H 35 7.560 8.021 -0.461 1
1 279 . 8 1 1 A 35 35 ARG HA H 35 4.190 4.076 0.114 1
1 286 . 8 1 1 A 35 35 ARG C C 35 178.001 179.138 -1.137 1
1 287 . 8 1 1 A 35 35 ARG CA C 35 57.095 59.430 -2.335 1
1 288 . 8 1 1 A 35 35 ARG CB C 35 28.882 30.474 -1.592 1
1 291 . 8 1 1 A 35 35 ARG N N 35 120.162 118.837 1.325 1
1 292 . 8 1 1 A 36 36 PHE H H 36 8.810 8.719 0.091 1
1 293 . 8 1 1 A 36 36 PHE HA H 36 4.227 3.994 0.233 1
1 301 . 8 1 1 A 36 36 PHE C C 36 176.520 177.562 -1.042 1
1 302 . 8 1 1 A 36 36 PHE CA C 36 60.886 60.952 -0.066 1
1 303 . 8 1 1 A 36 36 PHE CB C 36 39.333 39.092 0.241 1
1 309 . 8 1 1 A 36 36 PHE N N 36 122.860 121.206 1.654 1
1 310 . 8 1 1 A 37 37 GLU H H 37 7.772 8.369 -0.597 1
1 311 . 8 1 1 A 37 37 GLU HA H 37 3.701 4.153 -0.452 1
1 316 . 8 1 1 A 37 37 GLU C C 37 177.297 179.109 -1.812 1
1 317 . 8 1 1 A 37 37 GLU CA C 37 59.036 59.513 -0.477 1
1 318 . 8 1 1 A 37 37 GLU CB C 37 29.981 29.613 0.368 1
1 320 . 8 1 1 A 37 37 GLU N N 37 116.313 118.641 -2.328 1
1 321 . 8 1 1 A 38 38 LYS H H 38 7.005 8.025 -1.020 1
1 322 . 8 1 1 A 38 38 LYS HA H 38 4.280 4.068 0.212 1
1 329 . 8 1 1 A 38 38 LYS C C 38 177.079 175.933 1.146 1
1 330 . 8 1 1 A 38 38 LYS CA C 38 56.741 59.253 -2.512 1
1 331 . 8 1 1 A 38 38 LYS CB C 38 34.301 32.057 2.244 1
1 335 . 8 1 1 A 38 38 LYS N N 38 114.632 118.706 -4.074 1
1 336 . 8 1 1 A 39 39 GLN H H 39 8.641 8.130 0.511 1
1 337 . 8 1 1 A 39 39 GLN HA H 39 4.509 4.423 0.086 1
1 344 . 8 1 1 A 39 39 GLN C C 39 173.340 175.660 -2.320 1
1 345 . 8 1 1 A 39 39 GLN CA C 39 55.527 54.338 1.189 1
1 346 . 8 1 1 A 39 39 GLN CB C 39 31.827 29.281 2.546 1
1 348 . 8 1 1 A 39 39 GLN N N 39 120.830 118.957 1.873 1
1 350 . 8 1 1 A 40 40 LYS H H 40 8.474 8.169 0.305 1
1 351 . 8 1 1 A 40 40 LYS HA H 40 3.598 3.111 0.487 1
1 360 . 8 1 1 A 40 40 LYS C C 40 174.530 176.187 -1.657 1
1 361 . 8 1 1 A 40 40 LYS CA C 40 56.459 58.614 -2.155 1
1 362 . 8 1 1 A 40 40 LYS CB C 40 32.276 31.347 0.929 1
1 366 . 8 1 1 A 40 40 LYS N N 40 125.122 125.564 -0.442 1
1 367 . 8 1 1 A 41 41 TYR H H 41 7.513 7.318 0.195 1
1 368 . 8 1 1 A 41 41 TYR HA H 41 4.537 5.273 -0.736 1
1 375 . 8 1 1 A 41 41 TYR C C 41 174.700 175.470 -0.770 1
1 376 . 8 1 1 A 41 41 TYR CA C 41 56.743 56.659 0.084 1
1 377 . 8 1 1 A 41 41 TYR CB C 41 41.274 41.203 0.071 1
1 382 . 8 1 1 A 41 41 TYR N N 41 113.703 116.011 -2.308 1
1 383 . 8 1 1 A 42 42 LEU H H 42 8.544 8.655 -0.111 1
1 384 . 8 1 1 A 42 42 LEU HA H 42 4.610 4.357 0.253 1
1 394 . 8 1 1 A 42 42 LEU C C 42 177.273 177.468 -0.195 1
1 395 . 8 1 1 A 42 42 LEU CA C 42 53.408 54.719 -1.311 1
1 396 . 8 1 1 A 42 42 LEU CB C 42 44.040 42.112 1.928 1
1 400 . 8 1 1 A 42 42 LEU N N 42 123.003 126.280 -3.277 1
1 401 . 8 1 1 A 43 43 SER H H 43 8.651 8.745 -0.094 1
1 402 . 8 1 1 A 43 43 SER HA H 43 4.621 4.506 0.115 1
1 405 . 8 1 1 A 43 43 SER C C 43 174.530 175.900 -1.370 1
1 406 . 8 1 1 A 43 43 SER CA C 43 57.053 58.711 -1.658 1
1 407 . 8 1 1 A 43 43 SER CB C 43 64.786 64.399 0.387 1
1 408 . 8 1 1 A 43 43 SER N N 43 118.850 117.768 1.082 1
1 409 . 8 1 1 A 44 44 THR H H 44 9.159 8.763 0.396 1
1 410 . 8 1 1 A 44 44 THR HA H 44 4.428 3.981 0.447 1
1 415 . 8 1 1 A 44 44 THR C C 44 175.428 173.559 1.869 1
1 416 . 8 1 1 A 44 44 THR CA C 44 66.563 67.589 -1.026 1
1 417 . 8 1 1 A 44 44 THR CB C 44 69.210 67.381 1.829 1
1 419 . 8 1 1 A 44 44 THR N N 44 117.903 116.902 1.001 1
1 420 . 8 1 1 A 45 45 PRO HA H 45 4.188 4.298 -0.110 1
1 427 . 8 1 1 A 45 45 PRO C C 45 179.312 178.809 0.503 1
1 428 . 8 1 1 A 45 45 PRO CA C 45 66.163 66.324 -0.161 1
1 429 . 8 1 1 A 45 45 PRO CB C 45 30.975 30.546 0.429 1
1 432 . 8 1 1 A 46 46 ASP H H 46 7.289 8.405 -1.116 1
1 433 . 8 1 1 A 46 46 ASP HA H 46 4.387 4.280 0.107 1
1 436 . 8 1 1 A 46 46 ASP C C 46 178.390 178.606 -0.216 1
1 437 . 8 1 1 A 46 46 ASP CA C 46 56.974 57.527 -0.553 1
1 438 . 8 1 1 A 46 46 ASP CB C 46 41.498 40.357 1.141 1
1 439 . 8 1 1 A 46 46 ASP N N 46 117.060 117.448 -0.388 1
1 440 . 8 1 1 A 47 47 ARG H H 47 8.493 7.719 0.774 1
1 441 . 8 1 1 A 47 47 ARG HA H 47 3.754 3.988 -0.234 1
1 448 . 8 1 1 A 47 47 ARG C C 47 177.880 178.760 -0.880 1
1 449 . 8 1 1 A 47 47 ARG CA C 47 60.123 58.799 1.324 1
1 450 . 8 1 1 A 47 47 ARG CB C 47 30.355 29.982 0.373 1
1 453 . 8 1 1 A 47 47 ARG N N 47 122.143 120.163 1.980 1
1 454 . 8 1 1 A 48 48 ILE H H 48 8.219 7.814 0.405 1
1 455 . 8 1 1 A 48 48 ILE HA H 48 3.475 3.586 -0.111 1
1 465 . 8 1 1 A 48 48 ILE C C 48 178.026 177.670 0.356 1
1 466 . 8 1 1 A 48 48 ILE CA C 48 66.105 65.299 0.806 1
1 467 . 8 1 1 A 48 48 ILE CB C 48 38.440 37.738 0.702 1
1 471 . 8 1 1 A 48 48 ILE N N 48 119.888 119.932 -0.044 1
1 472 . 8 1 1 A 49 49 ASP H H 49 7.775 8.189 -0.414 1
1 473 . 8 1 1 A 49 49 ASP HA H 49 4.406 4.278 0.128 1
1 476 . 8 1 1 A 49 49 ASP C C 49 178.900 178.128 0.772 1
1 477 . 8 1 1 A 49 49 ASP CA C 49 57.380 57.550 -0.170 1
1 478 . 8 1 1 A 49 49 ASP CB C 49 41.523 40.914 0.609 1
1 479 . 8 1 1 A 49 49 ASP N N 49 119.245 120.522 -1.277 1
1 480 . 8 1 1 A 50 50 LEU H H 50 8.344 7.856 0.488 1
1 481 . 8 1 1 A 50 50 LEU HA H 50 4.090 4.020 0.070 1
1 491 . 8 1 1 A 50 50 LEU C C 50 178.705 178.397 0.308 1
1 492 . 8 1 1 A 50 50 LEU CA C 50 57.651 58.149 -0.498 1
1 493 . 8 1 1 A 50 50 LEU CB C 50 42.526 41.943 0.583 1
1 497 . 8 1 1 A 50 50 LEU N N 50 121.649 120.445 1.204 1
1 498 . 8 1 1 A 51 51 ALA H H 51 8.513 8.436 0.077 1
1 499 . 8 1 1 A 51 51 ALA HA H 51 3.611 3.989 -0.378 1
1 503 . 8 1 1 A 51 51 ALA C C 51 179.749 179.667 0.082 1
1 504 . 8 1 1 A 51 51 ALA CA C 51 56.139 54.991 1.148 1
1 505 . 8 1 1 A 51 51 ALA CB C 51 17.519 18.354 -0.835 1
1 506 . 8 1 1 A 51 51 ALA N N 51 120.902 120.315 0.587 1
1 507 . 8 1 1 A 52 52 GLU H H 52 8.285 7.743 0.542 1
1 508 . 8 1 1 A 52 52 GLU HA H 52 4.097 4.084 0.013 1
1 513 . 8 1 1 A 52 52 GLU C C 52 180.114 179.232 0.882 1
1 514 . 8 1 1 A 52 52 GLU CA C 52 59.307 59.229 0.078 1
1 515 . 8 1 1 A 52 52 GLU CB C 52 29.408 29.813 -0.405 1
1 517 . 8 1 1 A 52 52 GLU N N 52 116.933 118.069 -1.136 1
1 518 . 8 1 1 A 53 53 SER H H 53 8.229 8.307 -0.078 1
1 519 . 8 1 1 A 53 53 SER HA H 53 4.251 4.101 0.150 1
1 522 . 8 1 1 A 53 53 SER C C 53 176.059 176.100 -0.041 1
1 523 . 8 1 1 A 53 53 SER CA C 53 61.347 62.252 -0.905 1
1 524 . 8 1 1 A 53 53 SER CB C 53 63.235 62.994 0.241 1
1 525 . 8 1 1 A 53 53 SER N N 53 114.615 117.268 -2.653 1
1 526 . 8 1 1 A 54 54 LEU H H 54 7.675 7.521 0.154 1
1 527 . 8 1 1 A 54 54 LEU HA H 54 4.513 4.251 0.262 1
1 537 . 8 1 1 A 54 54 LEU C C 54 177.516 177.081 0.435 1
1 538 . 8 1 1 A 54 54 LEU CA C 54 54.422 55.465 -1.043 1
1 539 . 8 1 1 A 54 54 LEU CB C 54 43.880 42.782 1.098 1
1 543 . 8 1 1 A 54 54 LEU N N 54 117.401 117.681 -0.280 1
1 544 . 8 1 1 A 55 55 GLY H H 55 7.941 7.751 0.190 1
1 545 . 8 1 1 A 55 55 GLY HA2 H 55 3.982 3.970 0.012 1
1 546 . 8 1 1 A 55 55 GLY HA3 H 55 4.026 3.971 0.055 1
1 547 . 8 1 1 A 55 55 GLY C C 55 174.360 174.254 0.106 1
1 548 . 8 1 1 A 55 55 GLY CA C 55 46.728 44.798 1.930 1
1 549 . 8 1 1 A 55 55 GLY N N 55 111.061 106.016 5.045 1
1 550 . 8 1 1 A 56 56 LEU H H 56 8.190 7.850 0.340 1
1 551 . 8 1 1 A 56 56 LEU HA H 56 4.803 4.526 0.277 1
1 561 . 8 1 1 A 56 56 LEU C C 56 175.914 176.159 -0.245 1
1 562 . 8 1 1 A 56 56 LEU CA C 56 52.510 54.482 -1.972 1
1 563 . 8 1 1 A 56 56 LEU CB C 56 47.484 42.619 4.865 1
1 567 . 8 1 1 A 56 56 LEU N N 56 119.967 122.920 -2.953 1
1 568 . 8 1 1 A 57 57 SER H H 57 9.037 8.929 0.108 1
1 569 . 8 1 1 A 57 57 SER HA H 57 4.423 4.709 -0.286 1
1 572 . 8 1 1 A 57 57 SER C C 57 176.618 175.401 1.217 1
1 573 . 8 1 1 A 57 57 SER CA C 57 56.189 56.975 -0.786 1
1 574 . 8 1 1 A 57 57 SER CB C 57 65.579 65.448 0.131 1
1 575 . 8 1 1 A 57 57 SER N N 57 115.098 117.107 -2.009 1
1 576 . 8 1 1 A 58 58 GLN HA H 58 3.741 3.954 -0.213 1
1 583 . 8 1 1 A 58 58 GLN C C 58 177.904 178.287 -0.383 1
1 584 . 8 1 1 A 58 58 GLN CA C 58 60.504 59.113 1.391 1
1 585 . 8 1 1 A 58 58 GLN CB C 58 28.365 28.215 0.150 1
1 588 . 8 1 1 A 59 59 LEU H H 59 8.207 8.114 0.093 1
1 589 . 8 1 1 A 59 59 LEU HA H 59 4.192 4.034 0.158 1
1 599 . 8 1 1 A 59 59 LEU C C 59 179.871 178.646 1.225 1
1 600 . 8 1 1 A 59 59 LEU CA C 59 57.878 58.625 -0.747 1
1 601 . 8 1 1 A 59 59 LEU CB C 59 41.747 41.919 -0.172 1
1 605 . 8 1 1 A 59 59 LEU N N 59 120.246 121.662 -1.416 1
1 606 . 8 1 1 A 60 60 GLN H H 60 8.125 8.378 -0.253 1
1 607 . 8 1 1 A 60 60 GLN HA H 60 4.214 4.230 -0.016 1
1 614 . 8 1 1 A 60 60 GLN C C 60 179.434 178.669 0.765 1
1 615 . 8 1 1 A 60 60 GLN CA C 60 59.530 59.444 0.086 1
1 616 . 8 1 1 A 60 60 GLN CB C 60 29.651 28.678 0.973 1
1 618 . 8 1 1 A 60 60 GLN N N 60 120.637 118.064 2.573 1
1 620 . 8 1 1 A 61 61 VAL H H 61 7.717 7.655 0.062 1
1 621 . 8 1 1 A 61 61 VAL HA H 61 3.673 3.785 -0.112 1
1 629 . 8 1 1 A 61 61 VAL C C 61 176.982 177.967 -0.985 1
1 630 . 8 1 1 A 61 61 VAL CA C 61 67.670 66.922 0.748 1
1 631 . 8 1 1 A 61 61 VAL CB C 61 31.899 31.529 0.370 1
1 634 . 8 1 1 A 61 61 VAL N N 61 118.389 120.179 -1.790 1
1 635 . 8 1 1 A 62 62 LYS H H 62 8.578 8.128 0.450 1
1 636 . 8 1 1 A 62 62 LYS HA H 62 4.423 4.072 0.351 1
1 644 . 8 1 1 A 62 62 LYS C C 62 179.749 178.983 0.766 1
1 645 . 8 1 1 A 62 62 LYS CA C 62 59.821 59.890 -0.069 1
1 646 . 8 1 1 A 62 62 LYS CB C 62 33.793 32.488 1.305 1
1 650 . 8 1 1 A 62 62 LYS N N 62 120.540 120.540 0.000 1
1 651 . 8 1 1 A 63 63 THR H H 63 8.722 8.642 0.080 1
1 652 . 8 1 1 A 63 63 THR HA H 63 4.007 3.992 0.015 1
1 657 . 8 1 1 A 63 63 THR C C 63 176.059 176.724 -0.665 1
1 658 . 8 1 1 A 63 63 THR CA C 63 66.527 67.024 -0.497 1
1 659 . 8 1 1 A 63 63 THR CB C 63 69.236 68.590 0.646 1
1 661 . 8 1 1 A 63 63 THR N N 63 115.962 114.578 1.384 1
1 662 . 8 1 1 A 64 64 TRP H H 64 8.506 8.765 -0.259 1
1 663 . 8 1 1 A 64 64 TRP HA H 64 4.064 4.236 -0.172 1
1 672 . 8 1 1 A 64 64 TRP C C 64 179.264 178.070 1.194 1
1 673 . 8 1 1 A 64 64 TRP CA C 64 63.070 61.215 1.855 1
1 674 . 8 1 1 A 64 64 TRP CB C 64 29.048 29.660 -0.612 1
1 680 . 8 1 1 A 64 64 TRP N N 64 123.609 121.171 2.438 1
1 682 . 8 1 1 A 65 65 TYR H H 65 9.152 8.958 0.194 1
1 683 . 8 1 1 A 65 65 TYR HA H 65 3.660 4.515 -0.855 1
1 690 . 8 1 1 A 65 65 TYR C C 65 178.535 178.295 0.240 1
1 691 . 8 1 1 A 65 65 TYR CA C 65 63.749 62.033 1.716 1
1 692 . 8 1 1 A 65 65 TYR CB C 65 39.082 38.627 0.455 1
1 697 . 8 1 1 A 65 65 TYR N N 65 121.400 118.601 2.799 1
1 698 . 8 1 1 A 66 66 GLN H H 66 7.981 8.219 -0.238 1
1 699 . 8 1 1 A 66 66 GLN HA H 66 4.036 4.162 -0.126 1
1 706 . 8 1 1 A 66 66 GLN C C 66 179.045 178.635 0.410 1
1 707 . 8 1 1 A 66 66 GLN CA C 66 59.255 59.008 0.247 1
1 708 . 8 1 1 A 66 66 GLN CB C 66 28.207 28.691 -0.484 1
1 710 . 8 1 1 A 66 66 GLN N N 66 116.821 119.780 -2.959 1
1 712 . 8 1 1 A 67 67 ASN H H 67 7.862 8.477 -0.615 1
1 713 . 8 1 1 A 67 67 ASN HA H 67 4.367 4.439 -0.072 1
1 718 . 8 1 1 A 67 67 ASN C C 67 177.759 176.895 0.864 1
1 719 . 8 1 1 A 67 67 ASN CA C 67 55.852 55.921 -0.069 1
1 720 . 8 1 1 A 67 67 ASN CB C 67 38.119 37.985 0.134 1
1 721 . 8 1 1 A 67 67 ASN N N 67 118.257 117.067 1.190 1
1 723 . 8 1 1 A 68 68 ARG H H 68 8.533 7.946 0.587 1
1 724 . 8 1 1 A 68 68 ARG HA H 68 3.430 4.050 -0.620 1
1 732 . 8 1 1 A 68 68 ARG C C 68 179.992 178.168 1.824 1
1 733 . 8 1 1 A 68 68 ARG CA C 68 56.391 56.965 -0.574 1
1 734 . 8 1 1 A 68 68 ARG CB C 68 27.959 29.756 -1.797 1
1 737 . 8 1 1 A 68 68 ARG N N 68 123.922 117.710 6.212 1
1 739 . 8 1 1 A 69 69 ARG H H 69 8.226 8.311 -0.085 1
1 740 . 8 1 1 A 69 69 ARG HA H 69 4.357 4.652 -0.295 1
1 747 . 8 1 1 A 69 69 ARG C C 69 178.535 179.141 -0.606 1
1 748 . 8 1 1 A 69 69 ARG CA C 69 60.681 58.848 1.833 1
1 749 . 8 1 1 A 69 69 ARG CB C 69 31.938 30.017 1.921 1
1 752 . 8 1 1 A 69 69 ARG N N 69 118.839 118.899 -0.060 1
1 753 . 8 1 1 A 70 70 MET H H 70 7.480 8.192 -0.712 1
1 754 . 8 1 1 A 70 70 MET HA H 70 4.287 4.232 0.055 1
1 762 . 8 1 1 A 70 70 MET C C 70 178.098 178.232 -0.134 1
1 763 . 8 1 1 A 70 70 MET CA C 70 58.381 58.675 -0.294 1
1 764 . 8 1 1 A 70 70 MET CB C 70 32.011 32.370 -0.359 1
1 767 . 8 1 1 A 70 70 MET N N 70 118.164 119.437 -1.273 1
1 768 . 8 1 1 A 71 71 LYS H H 71 7.298 7.772 -0.474 1
1 769 . 8 1 1 A 71 71 LYS HA H 71 4.086 4.048 0.038 1
1 778 . 8 1 1 A 71 71 LYS C C 71 177.831 178.991 -1.160 1
1 779 . 8 1 1 A 71 71 LYS CA C 71 58.324 58.848 -0.524 1
1 780 . 8 1 1 A 71 71 LYS CB C 71 32.732 31.896 0.836 1
1 784 . 8 1 1 A 71 71 LYS N N 71 118.798 120.580 -1.782 1
1 785 . 8 1 1 A 72 72 TRP H H 72 7.952 7.830 0.122 1
1 786 . 8 1 1 A 72 72 TRP HA H 72 4.721 4.313 0.408 1
1 795 . 8 1 1 A 72 72 TRP C C 72 177.152 176.998 0.154 1
1 796 . 8 1 1 A 72 72 TRP CA C 72 58.506 60.568 -2.062 1
1 797 . 8 1 1 A 72 72 TRP CB C 72 29.602 29.772 -0.170 1
1 803 . 8 1 1 A 72 72 TRP N N 72 121.455 122.060 -0.605 1
1 805 . 8 1 1 A 73 73 LYS H H 73 8.241 7.706 0.535 1
1 806 . 8 1 1 A 73 73 LYS HA H 73 3.781 3.758 0.023 1
1 815 . 8 1 1 A 73 73 LYS C C 73 176.957 175.567 1.390 1
1 816 . 8 1 1 A 73 73 LYS CA C 73 57.074 56.073 1.001 1
1 817 . 8 1 1 A 73 73 LYS CB C 73 32.567 33.250 -0.683 1
1 821 . 8 1 1 A 73 73 LYS N N 73 120.065 118.892 1.173 1
1 822 . 8 1 1 A 74 74 LYS H H 74 7.705 8.233 -0.528 1
1 823 . 8 1 1 A 74 74 LYS HA H 74 4.154 4.944 -0.790 1
1 830 . 8 1 1 A 74 74 LYS C C 74 176.836 175.556 1.280 1
1 831 . 8 1 1 A 74 74 LYS CA C 74 57.028 54.962 2.066 1
1 832 . 8 1 1 A 74 74 LYS CB C 74 32.402 33.834 -1.432 1
1 836 . 8 1 1 A 74 74 LYS N N 74 120.036 119.850 0.186 1
1 837 . 8 1 1 A 75 75 SER H H 75 7.986 8.802 -0.816 1
1 838 . 8 1 1 A 75 75 SER HA H 75 4.470 5.221 -0.751 1
1 841 . 8 1 1 A 75 75 SER C C 75 174.530 173.122 1.408 1
1 842 . 8 1 1 A 75 75 SER CA C 75 58.786 57.090 1.696 1
1 843 . 8 1 1 A 75 75 SER CB C 75 63.975 66.083 -2.108 1
1 844 . 8 1 1 A 75 75 SER N N 75 115.488 118.864 -3.376 1
1 845 . 8 1 1 A 76 76 GLY H H 76 8.040 8.347 -0.307 1
1 846 . 8 1 1 A 76 76 GLY HA2 H 76 4.076 4.196 -0.120 1
1 847 . 8 1 1 A 76 76 GLY HA3 H 76 4.099 4.199 -0.100 1
1 848 . 8 1 1 A 76 76 GLY C C 76 171.835 174.163 -2.328 1
1 849 . 8 1 1 A 76 76 GLY CA C 76 44.789 45.336 -0.547 1
1 850 . 8 1 1 A 76 76 GLY N N 76 110.454 113.356 -2.902 1
1 851 . 8 1 1 A 77 77 PRO HA H 77 4.456 4.538 -0.082 1
1 856 . 8 1 1 A 77 77 PRO CA C 77 63.323 63.788 -0.465 1
1 857 . 8 1 1 A 77 77 PRO CB C 77 32.209 31.666 0.543 1
1 860 . 8 1 1 A 79 79 SER HA H 79 4.506 4.930 -0.424 1
1 863 . 8 1 1 A 79 79 SER C C 79 173.947 174.224 -0.277 1
1 864 . 8 1 1 A 79 79 SER CA C 79 58.433 57.355 1.078 1
1 865 . 8 1 1 A 79 79 SER CB C 79 63.960 66.311 -2.351 1
1 1 . 9 1 1 A 7 7 GLY HA2 H 7 4.014 4.196 -0.182 1
1 2 . 9 1 1 A 7 7 GLY HA3 H 7 4.014 4.196 -0.182 1
1 3 . 9 1 1 A 7 7 GLY C C 7 174.578 173.387 1.191 1
1 4 . 9 1 1 A 7 7 GLY CA C 7 45.445 44.819 0.626 1
1 5 . 9 1 1 A 8 8 GLY H H 8 8.219 8.087 0.132 1
1 6 . 9 1 1 A 8 8 GLY HA2 H 8 3.959 4.496 -0.537 1
1 7 . 9 1 1 A 8 8 GLY HA3 H 8 3.959 4.496 -0.537 1
1 8 . 9 1 1 A 8 8 GLY C C 8 173.898 172.096 1.802 1
1 9 . 9 1 1 A 8 8 GLY CA C 8 44.923 45.834 -0.911 1
1 10 . 9 1 1 A 8 8 GLY N N 8 108.655 111.098 -2.443 1
1 11 . 9 1 1 A 9 9 GLU H H 9 8.378 8.974 -0.596 1
1 12 . 9 1 1 A 9 9 GLU HA H 9 4.586 4.959 -0.373 1
1 16 . 9 1 1 A 9 9 GLU C C 9 175.015 173.786 1.229 1
1 17 . 9 1 1 A 9 9 GLU CA C 9 54.661 54.506 0.155 1
1 18 . 9 1 1 A 9 9 GLU CB C 9 29.534 32.766 -3.232 1
1 20 . 9 1 1 A 9 9 GLU N N 9 121.838 116.660 5.178 1
1 21 . 9 1 1 A 10 10 PRO HA H 10 4.428 4.552 -0.124 1
1 28 . 9 1 1 A 10 10 PRO C C 10 177.856 175.932 1.924 1
1 29 . 9 1 1 A 10 10 PRO CA C 10 63.767 62.797 0.970 1
1 30 . 9 1 1 A 10 10 PRO CB C 10 32.080 33.581 -1.501 1
1 33 . 9 1 1 A 11 11 GLY H H 11 8.556 8.174 0.382 1
1 34 . 9 1 1 A 11 11 GLY HA2 H 11 3.997 4.237 -0.240 1
1 35 . 9 1 1 A 11 11 GLY HA3 H 11 3.997 4.237 -0.240 1
1 36 . 9 1 1 A 11 11 GLY C C 11 174.724 171.396 3.328 1
1 37 . 9 1 1 A 11 11 GLY CA C 11 45.529 45.833 -0.304 1
1 38 . 9 1 1 A 11 11 GLY N N 11 108.931 106.906 2.025 1
1 39 . 9 1 1 A 12 12 THR H H 12 7.973 8.383 -0.410 1
1 40 . 9 1 1 A 12 12 THR HA H 12 4.306 4.949 -0.643 1
1 45 . 9 1 1 A 12 12 THR C C 12 174.942 173.220 1.722 1
1 46 . 9 1 1 A 12 12 THR CA C 12 62.240 61.138 1.102 1
1 47 . 9 1 1 A 12 12 THR CB C 12 69.882 71.775 -1.893 1
1 49 . 9 1 1 A 12 12 THR N N 12 113.454 116.262 -2.808 1
1 50 . 9 1 1 A 13 13 LYS H H 13 8.313 8.626 -0.313 1
1 51 . 9 1 1 A 13 13 LYS HA H 13 4.281 4.355 -0.074 1
1 58 . 9 1 1 A 13 13 LYS C C 13 176.520 175.890 0.630 1
1 59 . 9 1 1 A 13 13 LYS CA C 13 56.565 56.020 0.545 1
1 60 . 9 1 1 A 13 13 LYS CB C 13 32.590 31.828 0.762 1
1 64 . 9 1 1 A 13 13 LYS N N 13 123.479 128.812 -5.333 1
1 65 . 9 1 1 A 14 14 ALA H H 14 8.192 8.264 -0.072 1
1 66 . 9 1 1 A 14 14 ALA HA H 14 4.272 4.066 0.206 1
1 70 . 9 1 1 A 14 14 ALA C C 14 177.807 177.786 0.021 1
1 71 . 9 1 1 A 14 14 ALA CA C 14 52.581 55.312 -2.731 1
1 72 . 9 1 1 A 14 14 ALA CB C 14 19.258 18.879 0.379 1
1 73 . 9 1 1 A 14 14 ALA N N 14 124.692 128.802 -4.110 1
1 74 . 9 1 1 A 15 15 LYS H H 15 8.264 8.029 0.235 1
1 75 . 9 1 1 A 15 15 LYS HA H 15 4.296 3.961 0.335 1
1 81 . 9 1 1 A 15 15 LYS C C 15 176.812 175.374 1.438 1
1 82 . 9 1 1 A 15 15 LYS CA C 15 56.403 57.283 -0.880 1
1 83 . 9 1 1 A 15 15 LYS CB C 15 32.979 31.250 1.729 1
1 87 . 9 1 1 A 15 15 LYS N N 15 120.979 117.478 3.501 1
1 88 . 9 1 1 A 16 16 LYS H H 16 8.330 7.849 0.481 1
1 89 . 9 1 1 A 16 16 LYS HA H 16 4.289 4.552 -0.263 1
1 93 . 9 1 1 A 16 16 LYS C C 16 177.103 175.625 1.478 1
1 94 . 9 1 1 A 16 16 LYS CB C 16 33.072 33.572 -0.500 1
1 98 . 9 1 1 A 16 16 LYS N N 16 122.581 117.981 4.600 1
1 99 . 9 1 1 A 22 22 THR HA H 22 4.294 4.818 -0.524 1
1 104 . 9 1 1 A 22 22 THR C C 22 174.020 173.922 0.098 1
1 105 . 9 1 1 A 22 22 THR CA C 22 61.928 60.546 1.382 1
1 106 . 9 1 1 A 22 22 THR CB C 22 69.730 71.100 -1.370 1
1 108 . 9 1 1 A 23 23 VAL H H 23 8.087 8.728 -0.641 1
1 109 . 9 1 1 A 23 23 VAL HA H 23 4.112 4.358 -0.246 1
1 117 . 9 1 1 A 23 23 VAL C C 23 175.646 174.741 0.905 1
1 118 . 9 1 1 A 23 23 VAL CA C 23 62.011 60.952 1.059 1
1 119 . 9 1 1 A 23 23 VAL CB C 23 33.060 31.897 1.163 1
1 122 . 9 1 1 A 23 23 VAL N N 23 123.252 126.167 -2.915 1
1 123 . 9 1 1 A 24 24 PHE H H 24 8.220 7.293 0.927 1
1 124 . 9 1 1 A 24 24 PHE HA H 24 4.976 5.093 -0.117 1
1 132 . 9 1 1 A 24 24 PHE C C 24 176.739 176.025 0.714 1
1 133 . 9 1 1 A 24 24 PHE CA C 24 56.389 56.473 -0.084 1
1 134 . 9 1 1 A 24 24 PHE CB C 24 40.492 41.216 -0.724 1
1 140 . 9 1 1 A 24 24 PHE N N 24 123.332 122.646 0.686 1
1 141 . 9 1 1 A 25 25 THR H H 25 9.003 8.875 0.128 1
1 142 . 9 1 1 A 25 25 THR HA H 25 4.470 4.751 -0.281 1
1 147 . 9 1 1 A 25 25 THR C C 25 175.209 176.189 -0.980 1
1 148 . 9 1 1 A 25 25 THR CA C 25 60.598 60.535 0.063 1
1 149 . 9 1 1 A 25 25 THR CB C 25 70.801 71.245 -0.444 1
1 151 . 9 1 1 A 25 25 THR N N 25 113.078 113.367 -0.289 1
1 152 . 9 1 1 A 26 26 GLU H H 26 8.991 9.055 -0.064 1
1 153 . 9 1 1 A 26 26 GLU HA H 26 4.036 4.006 0.030 1
1 158 . 9 1 1 A 26 26 GLU C C 26 179.118 178.809 0.309 1
1 159 . 9 1 1 A 26 26 GLU CA C 26 60.222 59.401 0.821 1
1 160 . 9 1 1 A 26 26 GLU CB C 26 29.271 29.182 0.089 1
1 162 . 9 1 1 A 26 26 GLU N N 26 120.978 121.647 -0.669 1
1 163 . 9 1 1 A 27 27 LEU H H 27 8.120 8.108 0.012 1
1 164 . 9 1 1 A 27 27 LEU HA H 27 4.117 3.985 0.132 1
1 174 . 9 1 1 A 27 27 LEU C C 27 180.623 178.772 1.851 1
1 175 . 9 1 1 A 27 27 LEU CA C 27 58.187 58.105 0.082 1
1 176 . 9 1 1 A 27 27 LEU CB C 27 42.220 41.908 0.312 1
1 180 . 9 1 1 A 27 27 LEU N N 27 118.897 121.211 -2.314 1
1 181 . 9 1 1 A 28 28 GLN H H 28 7.733 7.832 -0.099 1
1 182 . 9 1 1 A 28 28 GLN HA H 28 3.864 3.899 -0.035 1
1 189 . 9 1 1 A 28 28 GLN C C 28 177.492 178.873 -1.381 1
1 190 . 9 1 1 A 28 28 GLN CA C 28 59.212 58.645 0.567 1
1 191 . 9 1 1 A 28 28 GLN CB C 28 27.740 28.160 -0.420 1
1 193 . 9 1 1 A 28 28 GLN N N 28 119.947 117.749 2.198 1
1 195 . 9 1 1 A 29 29 LEU H H 29 8.336 8.383 -0.047 1
1 196 . 9 1 1 A 29 29 LEU HA H 29 3.665 3.661 0.004 1
1 206 . 9 1 1 A 29 29 LEU C C 29 179.118 178.618 0.500 1
1 207 . 9 1 1 A 29 29 LEU CA C 29 58.068 57.742 0.326 1
1 208 . 9 1 1 A 29 29 LEU CB C 29 41.582 41.515 0.067 1
1 212 . 9 1 1 A 29 29 LEU N N 29 118.154 119.799 -1.645 1
1 213 . 9 1 1 A 30 30 MET H H 30 8.282 8.467 -0.185 1
1 214 . 9 1 1 A 30 30 MET HA H 30 4.118 4.012 0.106 1
1 222 . 9 1 1 A 30 30 MET C C 30 179.070 178.868 0.202 1
1 223 . 9 1 1 A 30 30 MET CA C 30 58.583 58.704 -0.121 1
1 224 . 9 1 1 A 30 30 MET CB C 30 32.665 32.510 0.155 1
1 227 . 9 1 1 A 30 30 MET N N 30 117.314 118.644 -1.330 1
1 228 . 9 1 1 A 31 31 GLY H H 31 7.904 7.881 0.023 1
1 229 . 9 1 1 A 31 31 GLY HA2 H 31 3.787 3.619 0.168 1
1 230 . 9 1 1 A 31 31 GLY HA3 H 31 3.631 3.644 -0.013 1
1 231 . 9 1 1 A 31 31 GLY C C 31 176.618 175.388 1.230 1
1 232 . 9 1 1 A 31 31 GLY CA C 31 47.231 47.003 0.228 1
1 233 . 9 1 1 A 31 31 GLY N N 31 107.053 107.095 -0.042 1
1 234 . 9 1 1 A 32 32 LEU H H 32 7.982 8.106 -0.124 1
1 235 . 9 1 1 A 32 32 LEU HA H 32 3.577 3.847 -0.270 1
1 245 . 9 1 1 A 32 32 LEU C C 32 177.564 179.160 -1.596 1
1 246 . 9 1 1 A 32 32 LEU CA C 32 58.318 57.576 0.742 1
1 247 . 9 1 1 A 32 32 LEU CB C 32 38.280 40.635 -2.355 1
1 251 . 9 1 1 A 32 32 LEU N N 32 125.323 122.309 3.014 1
1 252 . 9 1 1 A 33 33 GLU H H 33 8.054 8.102 -0.048 1
1 253 . 9 1 1 A 33 33 GLU HA H 33 4.283 4.085 0.198 1
1 258 . 9 1 1 A 33 33 GLU C C 33 180.041 179.239 0.802 1
1 259 . 9 1 1 A 33 33 GLU CA C 33 59.157 59.684 -0.527 1
1 260 . 9 1 1 A 33 33 GLU CB C 33 29.155 29.295 -0.140 1
1 262 . 9 1 1 A 33 33 GLU N N 33 118.448 117.440 1.008 1
1 263 . 9 1 1 A 34 34 LYS H H 34 8.229 7.560 0.669 1
1 264 . 9 1 1 A 34 34 LYS HA H 34 4.099 4.005 0.094 1
1 271 . 9 1 1 A 34 34 LYS C C 34 179.822 178.663 1.159 1
1 272 . 9 1 1 A 34 34 LYS CA C 34 58.789 59.679 -0.890 1
1 273 . 9 1 1 A 34 34 LYS CB C 34 32.073 32.384 -0.311 1
1 277 . 9 1 1 A 34 34 LYS N N 34 118.230 121.371 -3.141 1
1 278 . 9 1 1 A 35 35 ARG H H 35 7.560 8.118 -0.558 1
1 279 . 9 1 1 A 35 35 ARG HA H 35 4.190 4.050 0.140 1
1 286 . 9 1 1 A 35 35 ARG C C 35 178.001 178.578 -0.577 1
1 287 . 9 1 1 A 35 35 ARG CA C 35 57.095 59.449 -2.354 1
1 288 . 9 1 1 A 35 35 ARG CB C 35 28.882 29.987 -1.105 1
1 291 . 9 1 1 A 35 35 ARG N N 35 120.162 118.575 1.587 1
1 292 . 9 1 1 A 36 36 PHE H H 36 8.810 8.219 0.591 1
1 293 . 9 1 1 A 36 36 PHE HA H 36 4.227 4.116 0.111 1
1 301 . 9 1 1 A 36 36 PHE C C 36 176.520 176.891 -0.371 1
1 302 . 9 1 1 A 36 36 PHE CA C 36 60.886 61.827 -0.941 1
1 303 . 9 1 1 A 36 36 PHE CB C 36 39.333 38.638 0.695 1
1 309 . 9 1 1 A 36 36 PHE N N 36 122.860 120.563 2.297 1
1 310 . 9 1 1 A 37 37 GLU H H 37 7.772 8.477 -0.705 1
1 311 . 9 1 1 A 37 37 GLU HA H 37 3.701 3.975 -0.274 1
1 316 . 9 1 1 A 37 37 GLU C C 37 177.297 179.378 -2.081 1
1 317 . 9 1 1 A 37 37 GLU CA C 37 59.036 59.794 -0.758 1
1 318 . 9 1 1 A 37 37 GLU CB C 37 29.981 29.067 0.914 1
1 320 . 9 1 1 A 37 37 GLU N N 37 116.313 117.912 -1.599 1
1 321 . 9 1 1 A 38 38 LYS H H 38 7.005 7.613 -0.608 1
1 322 . 9 1 1 A 38 38 LYS HA H 38 4.280 4.056 0.224 1
1 329 . 9 1 1 A 38 38 LYS C C 38 177.079 176.586 0.493 1
1 330 . 9 1 1 A 38 38 LYS CA C 38 56.741 58.565 -1.824 1
1 331 . 9 1 1 A 38 38 LYS CB C 38 34.301 32.711 1.590 1
1 335 . 9 1 1 A 38 38 LYS N N 38 114.632 119.680 -5.048 1
1 336 . 9 1 1 A 39 39 GLN H H 39 8.641 7.857 0.784 1
1 337 . 9 1 1 A 39 39 GLN HA H 39 4.509 4.632 -0.123 1
1 344 . 9 1 1 A 39 39 GLN C C 39 173.340 175.764 -2.424 1
1 345 . 9 1 1 A 39 39 GLN CA C 39 55.527 54.289 1.238 1
1 346 . 9 1 1 A 39 39 GLN CB C 39 31.827 31.131 0.696 1
1 348 . 9 1 1 A 39 39 GLN N N 39 120.830 114.339 6.491 1
1 350 . 9 1 1 A 40 40 LYS H H 40 8.474 8.279 0.195 1
1 351 . 9 1 1 A 40 40 LYS HA H 40 3.598 3.021 0.577 1
1 360 . 9 1 1 A 40 40 LYS C C 40 174.530 175.101 -0.571 1
1 361 . 9 1 1 A 40 40 LYS CA C 40 56.459 57.529 -1.070 1
1 362 . 9 1 1 A 40 40 LYS CB C 40 32.276 31.480 0.796 1
1 366 . 9 1 1 A 40 40 LYS N N 40 125.122 123.175 1.947 1
1 367 . 9 1 1 A 41 41 TYR H H 41 7.513 7.358 0.155 1
1 368 . 9 1 1 A 41 41 TYR HA H 41 4.537 5.159 -0.622 1
1 375 . 9 1 1 A 41 41 TYR C C 41 174.700 174.311 0.389 1
1 376 . 9 1 1 A 41 41 TYR CA C 41 56.743 56.460 0.283 1
1 377 . 9 1 1 A 41 41 TYR CB C 41 41.274 43.339 -2.065 1
1 382 . 9 1 1 A 41 41 TYR N N 41 113.703 117.209 -3.506 1
1 383 . 9 1 1 A 42 42 LEU H H 42 8.544 8.689 -0.145 1
1 384 . 9 1 1 A 42 42 LEU HA H 42 4.610 4.830 -0.220 1
1 394 . 9 1 1 A 42 42 LEU C C 42 177.273 175.406 1.867 1
1 395 . 9 1 1 A 42 42 LEU CA C 42 53.408 53.571 -0.163 1
1 396 . 9 1 1 A 42 42 LEU CB C 42 44.040 45.740 -1.700 1
1 400 . 9 1 1 A 42 42 LEU N N 42 123.003 120.958 2.045 1
1 401 . 9 1 1 A 43 43 SER H H 43 8.651 8.635 0.016 1
1 402 . 9 1 1 A 43 43 SER HA H 43 4.621 4.534 0.087 1
1 405 . 9 1 1 A 43 43 SER C C 43 174.530 175.386 -0.856 1
1 406 . 9 1 1 A 43 43 SER CA C 43 57.053 58.303 -1.250 1
1 407 . 9 1 1 A 43 43 SER CB C 43 64.786 64.196 0.590 1
1 408 . 9 1 1 A 43 43 SER N N 43 118.850 119.941 -1.091 1
1 409 . 9 1 1 A 44 44 THR H H 44 9.159 8.803 0.356 1
1 410 . 9 1 1 A 44 44 THR HA H 44 4.428 3.993 0.435 1
1 415 . 9 1 1 A 44 44 THR C C 44 175.428 173.474 1.954 1
1 416 . 9 1 1 A 44 44 THR CA C 44 66.563 67.672 -1.109 1
1 417 . 9 1 1 A 44 44 THR CB C 44 69.210 67.619 1.591 1
1 419 . 9 1 1 A 44 44 THR N N 44 117.903 120.867 -2.964 1
1 420 . 9 1 1 A 45 45 PRO HA H 45 4.188 4.283 -0.095 1
1 427 . 9 1 1 A 45 45 PRO C C 45 179.312 178.712 0.600 1
1 428 . 9 1 1 A 45 45 PRO CA C 45 66.163 66.272 -0.109 1
1 429 . 9 1 1 A 45 45 PRO CB C 45 30.975 30.544 0.431 1
1 432 . 9 1 1 A 46 46 ASP H H 46 7.289 8.426 -1.137 1
1 433 . 9 1 1 A 46 46 ASP HA H 46 4.387 4.310 0.077 1
1 436 . 9 1 1 A 46 46 ASP C C 46 178.390 178.652 -0.262 1
1 437 . 9 1 1 A 46 46 ASP CA C 46 56.974 57.535 -0.561 1
1 438 . 9 1 1 A 46 46 ASP CB C 46 41.498 40.219 1.279 1
1 439 . 9 1 1 A 46 46 ASP N N 46 117.060 117.586 -0.526 1
1 440 . 9 1 1 A 47 47 ARG H H 47 8.493 7.797 0.696 1
1 441 . 9 1 1 A 47 47 ARG HA H 47 3.754 3.969 -0.215 1
1 448 . 9 1 1 A 47 47 ARG C C 47 177.880 178.438 -0.558 1
1 449 . 9 1 1 A 47 47 ARG CA C 47 60.123 58.607 1.516 1
1 450 . 9 1 1 A 47 47 ARG CB C 47 30.355 29.977 0.378 1
1 453 . 9 1 1 A 47 47 ARG N N 47 122.143 120.320 1.823 1
1 454 . 9 1 1 A 48 48 ILE H H 48 8.219 7.783 0.436 1
1 455 . 9 1 1 A 48 48 ILE HA H 48 3.475 3.657 -0.182 1
1 465 . 9 1 1 A 48 48 ILE C C 48 178.026 177.395 0.631 1
1 466 . 9 1 1 A 48 48 ILE CA C 48 66.105 65.669 0.436 1
1 467 . 9 1 1 A 48 48 ILE CB C 48 38.440 37.805 0.635 1
1 471 . 9 1 1 A 48 48 ILE N N 48 119.888 120.476 -0.588 1
1 472 . 9 1 1 A 49 49 ASP H H 49 7.775 8.581 -0.806 1
1 473 . 9 1 1 A 49 49 ASP HA H 49 4.406 4.267 0.139 1
1 476 . 9 1 1 A 49 49 ASP C C 49 178.900 178.280 0.620 1
1 477 . 9 1 1 A 49 49 ASP CA C 49 57.380 57.636 -0.256 1
1 478 . 9 1 1 A 49 49 ASP CB C 49 41.523 41.762 -0.239 1
1 479 . 9 1 1 A 49 49 ASP N N 49 119.245 120.540 -1.295 1
1 480 . 9 1 1 A 50 50 LEU H H 50 8.344 7.894 0.450 1
1 481 . 9 1 1 A 50 50 LEU HA H 50 4.090 4.061 0.029 1
1 491 . 9 1 1 A 50 50 LEU C C 50 178.705 178.220 0.485 1
1 492 . 9 1 1 A 50 50 LEU CA C 50 57.651 58.163 -0.512 1
1 493 . 9 1 1 A 50 50 LEU CB C 50 42.526 41.964 0.562 1
1 497 . 9 1 1 A 50 50 LEU N N 50 121.649 120.562 1.087 1
1 498 . 9 1 1 A 51 51 ALA H H 51 8.513 8.216 0.297 1
1 499 . 9 1 1 A 51 51 ALA HA H 51 3.611 3.918 -0.307 1
1 503 . 9 1 1 A 51 51 ALA C C 51 179.749 179.414 0.335 1
1 504 . 9 1 1 A 51 51 ALA CA C 51 56.139 54.852 1.287 1
1 505 . 9 1 1 A 51 51 ALA CB C 51 17.519 18.477 -0.958 1
1 506 . 9 1 1 A 51 51 ALA N N 51 120.902 120.509 0.393 1
1 507 . 9 1 1 A 52 52 GLU H H 52 8.285 7.482 0.803 1
1 508 . 9 1 1 A 52 52 GLU HA H 52 4.097 4.162 -0.065 1
1 513 . 9 1 1 A 52 52 GLU C C 52 180.114 179.410 0.704 1
1 514 . 9 1 1 A 52 52 GLU CA C 52 59.307 59.079 0.228 1
1 515 . 9 1 1 A 52 52 GLU CB C 52 29.408 29.171 0.237 1
1 517 . 9 1 1 A 52 52 GLU N N 52 116.933 118.215 -1.282 1
1 518 . 9 1 1 A 53 53 SER H H 53 8.229 8.125 0.104 1
1 519 . 9 1 1 A 53 53 SER HA H 53 4.251 4.146 0.105 1
1 522 . 9 1 1 A 53 53 SER C C 53 176.059 175.763 0.296 1
1 523 . 9 1 1 A 53 53 SER CA C 53 61.347 62.426 -1.079 1
1 524 . 9 1 1 A 53 53 SER CB C 53 63.235 63.148 0.087 1
1 525 . 9 1 1 A 53 53 SER N N 53 114.615 118.034 -3.419 1
1 526 . 9 1 1 A 54 54 LEU H H 54 7.675 7.557 0.118 1
1 527 . 9 1 1 A 54 54 LEU HA H 54 4.513 4.225 0.288 1
1 537 . 9 1 1 A 54 54 LEU C C 54 177.516 177.089 0.427 1
1 538 . 9 1 1 A 54 54 LEU CA C 54 54.422 55.559 -1.137 1
1 539 . 9 1 1 A 54 54 LEU CB C 54 43.880 42.751 1.129 1
1 543 . 9 1 1 A 54 54 LEU N N 54 117.401 117.661 -0.260 1
1 544 . 9 1 1 A 55 55 GLY H H 55 7.941 7.912 0.029 1
1 545 . 9 1 1 A 55 55 GLY HA2 H 55 3.982 3.966 0.016 1
1 546 . 9 1 1 A 55 55 GLY HA3 H 55 4.026 3.969 0.057 1
1 547 . 9 1 1 A 55 55 GLY C C 55 174.360 174.599 -0.239 1
1 548 . 9 1 1 A 55 55 GLY CA C 55 46.728 45.072 1.656 1
1 549 . 9 1 1 A 55 55 GLY N N 55 111.061 106.169 4.892 1
1 550 . 9 1 1 A 56 56 LEU H H 56 8.190 7.949 0.241 1
1 551 . 9 1 1 A 56 56 LEU HA H 56 4.803 4.665 0.138 1
1 561 . 9 1 1 A 56 56 LEU C C 56 175.914 175.601 0.313 1
1 562 . 9 1 1 A 56 56 LEU CA C 56 52.510 54.151 -1.641 1
1 563 . 9 1 1 A 56 56 LEU CB C 56 47.484 42.432 5.052 1
1 567 . 9 1 1 A 56 56 LEU N N 56 119.967 122.821 -2.854 1
1 568 . 9 1 1 A 57 57 SER H H 57 9.037 8.391 0.646 1
1 569 . 9 1 1 A 57 57 SER HA H 57 4.423 4.870 -0.447 1
1 572 . 9 1 1 A 57 57 SER C C 57 176.618 175.497 1.121 1
1 573 . 9 1 1 A 57 57 SER CA C 57 56.189 55.954 0.235 1
1 574 . 9 1 1 A 57 57 SER CB C 57 65.579 64.992 0.587 1
1 575 . 9 1 1 A 57 57 SER N N 57 115.098 115.661 -0.563 1
1 576 . 9 1 1 A 58 58 GLN HA H 58 3.741 3.972 -0.231 1
1 583 . 9 1 1 A 58 58 GLN C C 58 177.904 178.028 -0.124 1
1 584 . 9 1 1 A 58 58 GLN CA C 58 60.504 59.294 1.210 1
1 585 . 9 1 1 A 58 58 GLN CB C 58 28.365 28.406 -0.041 1
1 588 . 9 1 1 A 59 59 LEU H H 59 8.207 8.238 -0.031 1
1 589 . 9 1 1 A 59 59 LEU HA H 59 4.192 4.110 0.082 1
1 599 . 9 1 1 A 59 59 LEU C C 59 179.871 178.652 1.219 1
1 600 . 9 1 1 A 59 59 LEU CA C 59 57.878 57.794 0.084 1
1 601 . 9 1 1 A 59 59 LEU CB C 59 41.747 41.530 0.217 1
1 605 . 9 1 1 A 59 59 LEU N N 59 120.246 122.045 -1.799 1
1 606 . 9 1 1 A 60 60 GLN H H 60 8.125 8.623 -0.498 1
1 607 . 9 1 1 A 60 60 GLN HA H 60 4.214 4.205 0.009 1
1 614 . 9 1 1 A 60 60 GLN C C 60 179.434 178.659 0.775 1
1 615 . 9 1 1 A 60 60 GLN CA C 60 59.530 58.653 0.877 1
1 616 . 9 1 1 A 60 60 GLN CB C 60 29.651 28.684 0.967 1
1 618 . 9 1 1 A 60 60 GLN N N 60 120.637 118.221 2.416 1
1 620 . 9 1 1 A 61 61 VAL H H 61 7.717 8.069 -0.352 1
1 621 . 9 1 1 A 61 61 VAL HA H 61 3.673 3.748 -0.075 1
1 629 . 9 1 1 A 61 61 VAL C C 61 176.982 177.960 -0.978 1
1 630 . 9 1 1 A 61 61 VAL CA C 61 67.670 67.151 0.519 1
1 631 . 9 1 1 A 61 61 VAL CB C 61 31.899 31.491 0.408 1
1 634 . 9 1 1 A 61 61 VAL N N 61 118.389 120.011 -1.622 1
1 635 . 9 1 1 A 62 62 LYS H H 62 8.578 8.020 0.558 1
1 636 . 9 1 1 A 62 62 LYS HA H 62 4.423 4.058 0.365 1
1 644 . 9 1 1 A 62 62 LYS C C 62 179.749 178.889 0.860 1
1 645 . 9 1 1 A 62 62 LYS CA C 62 59.821 59.995 -0.174 1
1 646 . 9 1 1 A 62 62 LYS CB C 62 33.793 32.569 1.224 1
1 650 . 9 1 1 A 62 62 LYS N N 62 120.540 120.352 0.188 1
1 651 . 9 1 1 A 63 63 THR H H 63 8.722 8.626 0.096 1
1 652 . 9 1 1 A 63 63 THR HA H 63 4.007 4.016 -0.009 1
1 657 . 9 1 1 A 63 63 THR C C 63 176.059 176.648 -0.589 1
1 658 . 9 1 1 A 63 63 THR CA C 63 66.527 67.123 -0.596 1
1 659 . 9 1 1 A 63 63 THR CB C 63 69.236 68.656 0.580 1
1 661 . 9 1 1 A 63 63 THR N N 63 115.962 114.593 1.369 1
1 662 . 9 1 1 A 64 64 TRP H H 64 8.506 8.789 -0.283 1
1 663 . 9 1 1 A 64 64 TRP HA H 64 4.064 4.276 -0.212 1
1 672 . 9 1 1 A 64 64 TRP C C 64 179.264 178.141 1.123 1
1 673 . 9 1 1 A 64 64 TRP CA C 64 63.070 61.171 1.899 1
1 674 . 9 1 1 A 64 64 TRP CB C 64 29.048 29.761 -0.713 1
1 680 . 9 1 1 A 64 64 TRP N N 64 123.609 121.198 2.411 1
1 682 . 9 1 1 A 65 65 TYR H H 65 9.152 8.684 0.468 1
1 683 . 9 1 1 A 65 65 TYR HA H 65 3.660 4.534 -0.874 1
1 690 . 9 1 1 A 65 65 TYR C C 65 178.535 178.599 -0.064 1
1 691 . 9 1 1 A 65 65 TYR CA C 65 63.749 61.580 2.169 1
1 692 . 9 1 1 A 65 65 TYR CB C 65 39.082 38.660 0.422 1
1 697 . 9 1 1 A 65 65 TYR N N 65 121.400 118.881 2.519 1
1 698 . 9 1 1 A 66 66 GLN H H 66 7.981 8.353 -0.372 1
1 699 . 9 1 1 A 66 66 GLN HA H 66 4.036 4.078 -0.042 1
1 706 . 9 1 1 A 66 66 GLN C C 66 179.045 178.667 0.378 1
1 707 . 9 1 1 A 66 66 GLN CA C 66 59.255 59.507 -0.252 1
1 708 . 9 1 1 A 66 66 GLN CB C 66 28.207 28.508 -0.301 1
1 710 . 9 1 1 A 66 66 GLN N N 66 116.821 119.246 -2.425 1
1 712 . 9 1 1 A 67 67 ASN H H 67 7.862 8.121 -0.259 1
1 713 . 9 1 1 A 67 67 ASN HA H 67 4.367 4.490 -0.123 1
1 718 . 9 1 1 A 67 67 ASN C C 67 177.759 178.144 -0.385 1
1 719 . 9 1 1 A 67 67 ASN CA C 67 55.852 56.237 -0.385 1
1 720 . 9 1 1 A 67 67 ASN CB C 67 38.119 37.782 0.337 1
1 721 . 9 1 1 A 67 67 ASN N N 67 118.257 118.087 0.170 1
1 723 . 9 1 1 A 68 68 ARG H H 68 8.533 8.042 0.491 1
1 724 . 9 1 1 A 68 68 ARG HA H 68 3.430 3.607 -0.177 1
1 732 . 9 1 1 A 68 68 ARG C C 68 179.992 179.172 0.820 1
1 733 . 9 1 1 A 68 68 ARG CA C 68 56.391 59.664 -3.273 1
1 734 . 9 1 1 A 68 68 ARG CB C 68 27.959 29.169 -1.210 1
1 737 . 9 1 1 A 68 68 ARG N N 68 123.922 118.656 5.266 1
1 739 . 9 1 1 A 69 69 ARG H H 69 8.226 8.231 -0.005 1
1 740 . 9 1 1 A 69 69 ARG HA H 69 4.357 4.334 0.023 1
1 747 . 9 1 1 A 69 69 ARG C C 69 178.535 179.330 -0.795 1
1 748 . 9 1 1 A 69 69 ARG CA C 69 60.681 59.530 1.151 1
1 749 . 9 1 1 A 69 69 ARG CB C 69 31.938 30.040 1.898 1
1 752 . 9 1 1 A 69 69 ARG N N 69 118.839 119.492 -0.653 1
1 753 . 9 1 1 A 70 70 MET H H 70 7.480 8.260 -0.780 1
1 754 . 9 1 1 A 70 70 MET HA H 70 4.287 4.056 0.231 1
1 762 . 9 1 1 A 70 70 MET C C 70 178.098 178.389 -0.291 1
1 763 . 9 1 1 A 70 70 MET CA C 70 58.381 59.328 -0.947 1
1 764 . 9 1 1 A 70 70 MET CB C 70 32.011 32.713 -0.702 1
1 767 . 9 1 1 A 70 70 MET N N 70 118.164 120.529 -2.365 1
1 768 . 9 1 1 A 71 71 LYS H H 71 7.298 7.239 0.059 1
1 769 . 9 1 1 A 71 71 LYS HA H 71 4.086 4.053 0.033 1
1 778 . 9 1 1 A 71 71 LYS C C 71 177.831 179.053 -1.222 1
1 779 . 9 1 1 A 71 71 LYS CA C 71 58.324 58.794 -0.470 1
1 780 . 9 1 1 A 71 71 LYS CB C 71 32.732 31.930 0.802 1
1 784 . 9 1 1 A 71 71 LYS N N 71 118.798 119.103 -0.305 1
1 785 . 9 1 1 A 72 72 TRP H H 72 7.952 8.476 -0.524 1
1 786 . 9 1 1 A 72 72 TRP HA H 72 4.721 4.161 0.560 1
1 795 . 9 1 1 A 72 72 TRP C C 72 177.152 176.574 0.578 1
1 796 . 9 1 1 A 72 72 TRP CA C 72 58.506 60.304 -1.798 1
1 797 . 9 1 1 A 72 72 TRP CB C 72 29.602 29.611 -0.009 1
1 803 . 9 1 1 A 72 72 TRP N N 72 121.455 121.486 -0.031 1
1 805 . 9 1 1 A 73 73 LYS H H 73 8.241 7.792 0.449 1
1 806 . 9 1 1 A 73 73 LYS HA H 73 3.781 4.016 -0.235 1
1 815 . 9 1 1 A 73 73 LYS C C 73 176.957 174.980 1.977 1
1 816 . 9 1 1 A 73 73 LYS CA C 73 57.074 55.215 1.859 1
1 817 . 9 1 1 A 73 73 LYS CB C 73 32.567 33.910 -1.343 1
1 821 . 9 1 1 A 73 73 LYS N N 73 120.065 118.872 1.193 1
1 822 . 9 1 1 A 74 74 LYS H H 74 7.705 8.173 -0.468 1
1 823 . 9 1 1 A 74 74 LYS HA H 74 4.154 5.021 -0.867 1
1 830 . 9 1 1 A 74 74 LYS C C 74 176.836 175.427 1.409 1
1 831 . 9 1 1 A 74 74 LYS CA C 74 57.028 54.197 2.831 1
1 832 . 9 1 1 A 74 74 LYS CB C 74 32.402 35.962 -3.560 1
1 836 . 9 1 1 A 74 74 LYS N N 74 120.036 121.988 -1.952 1
1 837 . 9 1 1 A 75 75 SER H H 75 7.986 8.809 -0.823 1
1 838 . 9 1 1 A 75 75 SER HA H 75 4.470 4.515 -0.045 1
1 841 . 9 1 1 A 75 75 SER C C 75 174.530 174.517 0.013 1
1 842 . 9 1 1 A 75 75 SER CA C 75 58.786 60.112 -1.326 1
1 843 . 9 1 1 A 75 75 SER CB C 75 63.975 64.107 -0.132 1
1 844 . 9 1 1 A 75 75 SER N N 75 115.488 119.289 -3.801 1
1 845 . 9 1 1 A 76 76 GLY H H 76 8.040 7.356 0.684 1
1 846 . 9 1 1 A 76 76 GLY HA2 H 76 4.076 4.091 -0.015 1
1 847 . 9 1 1 A 76 76 GLY HA3 H 76 4.099 4.097 0.002 1
1 848 . 9 1 1 A 76 76 GLY C C 76 171.835 174.193 -2.358 1
1 849 . 9 1 1 A 76 76 GLY CA C 76 44.789 45.812 -1.023 1
1 850 . 9 1 1 A 76 76 GLY N N 76 110.454 105.200 5.254 1
1 851 . 9 1 1 A 77 77 PRO HA H 77 4.456 4.347 0.109 1
1 856 . 9 1 1 A 77 77 PRO CA C 77 63.323 64.918 -1.595 1
1 857 . 9 1 1 A 77 77 PRO CB C 77 32.209 31.457 0.752 1
1 860 . 9 1 1 A 79 79 SER HA H 79 4.506 4.531 -0.025 1
1 863 . 9 1 1 A 79 79 SER C C 79 173.947 174.769 -0.822 1
1 864 . 9 1 1 A 79 79 SER CA C 79 58.433 60.103 -1.670 1
1 865 . 9 1 1 A 79 79 SER CB C 79 63.960 64.706 -0.746 1
1 1 . 10 1 1 A 7 7 GLY HA2 H 7 4.014 4.201 -0.187 1
1 2 . 10 1 1 A 7 7 GLY HA3 H 7 4.014 4.201 -0.187 1
1 3 . 10 1 1 A 7 7 GLY C C 7 174.578 172.360 2.218 1
1 4 . 10 1 1 A 7 7 GLY CA C 7 45.445 45.219 0.226 1
1 5 . 10 1 1 A 8 8 GLY H H 8 8.219 8.512 -0.293 1
1 6 . 10 1 1 A 8 8 GLY HA2 H 8 3.959 4.209 -0.250 1
1 7 . 10 1 1 A 8 8 GLY HA3 H 8 3.959 4.209 -0.250 1
1 8 . 10 1 1 A 8 8 GLY C C 8 173.898 173.920 -0.022 1
1 9 . 10 1 1 A 8 8 GLY CA C 8 44.923 45.477 -0.554 1
1 10 . 10 1 1 A 8 8 GLY N N 8 108.655 106.763 1.892 1
1 11 . 10 1 1 A 9 9 GLU H H 9 8.378 8.202 0.176 1
1 12 . 10 1 1 A 9 9 GLU HA H 9 4.586 4.781 -0.195 1
1 16 . 10 1 1 A 9 9 GLU C C 9 175.015 174.038 0.977 1
1 17 . 10 1 1 A 9 9 GLU CA C 9 54.661 53.220 1.441 1
1 18 . 10 1 1 A 9 9 GLU CB C 9 29.534 30.608 -1.074 1
1 20 . 10 1 1 A 9 9 GLU N N 9 121.838 120.532 1.306 1
1 21 . 10 1 1 A 10 10 PRO HA H 10 4.428 4.241 0.187 1
1 28 . 10 1 1 A 10 10 PRO C C 10 177.856 177.070 0.786 1
1 29 . 10 1 1 A 10 10 PRO CA C 10 63.767 63.570 0.197 1
1 30 . 10 1 1 A 10 10 PRO CB C 10 32.080 32.494 -0.414 1
1 33 . 10 1 1 A 11 11 GLY H H 11 8.556 8.698 -0.142 1
1 34 . 10 1 1 A 11 11 GLY HA2 H 11 3.997 4.062 -0.065 1
1 35 . 10 1 1 A 11 11 GLY HA3 H 11 3.997 4.064 -0.067 1
1 36 . 10 1 1 A 11 11 GLY C C 11 174.724 173.956 0.768 1
1 37 . 10 1 1 A 11 11 GLY CA C 11 45.529 46.344 -0.815 1
1 38 . 10 1 1 A 11 11 GLY N N 11 108.931 109.972 -1.041 1
1 39 . 10 1 1 A 12 12 THR H H 12 7.973 8.122 -0.149 1
1 40 . 10 1 1 A 12 12 THR HA H 12 4.306 5.168 -0.862 1
1 45 . 10 1 1 A 12 12 THR C C 12 174.942 173.255 1.687 1
1 46 . 10 1 1 A 12 12 THR CA C 12 62.240 60.596 1.644 1
1 47 . 10 1 1 A 12 12 THR CB C 12 69.882 70.346 -0.464 1
1 49 . 10 1 1 A 12 12 THR N N 12 113.454 111.738 1.716 1
1 50 . 10 1 1 A 13 13 LYS H H 13 8.313 8.434 -0.121 1
1 51 . 10 1 1 A 13 13 LYS HA H 13 4.281 4.817 -0.536 1
1 58 . 10 1 1 A 13 13 LYS C C 13 176.520 174.707 1.813 1
1 59 . 10 1 1 A 13 13 LYS CA C 13 56.565 55.753 0.812 1
1 60 . 10 1 1 A 13 13 LYS CB C 13 32.590 36.637 -4.047 1
1 64 . 10 1 1 A 13 13 LYS N N 13 123.479 126.240 -2.761 1
1 65 . 10 1 1 A 14 14 ALA H H 14 8.192 8.713 -0.521 1
1 66 . 10 1 1 A 14 14 ALA HA H 14 4.272 4.912 -0.640 1
1 70 . 10 1 1 A 14 14 ALA C C 14 177.807 175.496 2.311 1
1 71 . 10 1 1 A 14 14 ALA CA C 14 52.581 51.175 1.406 1
1 72 . 10 1 1 A 14 14 ALA CB C 14 19.258 23.923 -4.665 1
1 73 . 10 1 1 A 14 14 ALA N N 14 124.692 124.987 -0.295 1
1 74 . 10 1 1 A 15 15 LYS H H 15 8.264 8.678 -0.414 1
1 75 . 10 1 1 A 15 15 LYS HA H 15 4.296 4.704 -0.408 1
1 81 . 10 1 1 A 15 15 LYS C C 15 176.812 174.777 2.035 1
1 82 . 10 1 1 A 15 15 LYS CA C 15 56.403 55.797 0.606 1
1 83 . 10 1 1 A 15 15 LYS CB C 15 32.979 36.047 -3.068 1
1 87 . 10 1 1 A 15 15 LYS N N 15 120.979 119.976 1.003 1
1 88 . 10 1 1 A 16 16 LYS H H 16 8.330 8.799 -0.469 1
1 89 . 10 1 1 A 16 16 LYS HA H 16 4.289 4.520 -0.231 1
1 93 . 10 1 1 A 16 16 LYS C C 16 177.103 177.019 0.084 1
1 94 . 10 1 1 A 16 16 LYS CB C 16 33.072 33.987 -0.915 1
1 98 . 10 1 1 A 16 16 LYS N N 16 122.581 122.697 -0.116 1
1 99 . 10 1 1 A 22 22 THR HA H 22 4.294 4.809 -0.515 1
1 104 . 10 1 1 A 22 22 THR C C 22 174.020 174.529 -0.509 1
1 105 . 10 1 1 A 22 22 THR CA C 22 61.928 59.453 2.475 1
1 106 . 10 1 1 A 22 22 THR CB C 22 69.730 71.728 -1.998 1
1 108 . 10 1 1 A 23 23 VAL H H 23 8.087 8.402 -0.315 1
1 109 . 10 1 1 A 23 23 VAL HA H 23 4.112 4.365 -0.253 1
1 117 . 10 1 1 A 23 23 VAL C C 23 175.646 175.567 0.079 1
1 118 . 10 1 1 A 23 23 VAL CA C 23 62.011 61.096 0.915 1
1 119 . 10 1 1 A 23 23 VAL CB C 23 33.060 31.785 1.275 1
1 122 . 10 1 1 A 23 23 VAL N N 23 123.252 121.476 1.776 1
1 123 . 10 1 1 A 24 24 PHE H H 24 8.220 7.822 0.398 1
1 124 . 10 1 1 A 24 24 PHE HA H 24 4.976 5.099 -0.123 1
1 132 . 10 1 1 A 24 24 PHE C C 24 176.739 175.556 1.183 1
1 133 . 10 1 1 A 24 24 PHE CA C 24 56.389 57.715 -1.326 1
1 134 . 10 1 1 A 24 24 PHE CB C 24 40.492 40.625 -0.133 1
1 140 . 10 1 1 A 24 24 PHE N N 24 123.332 122.841 0.491 1
1 141 . 10 1 1 A 25 25 THR H H 25 9.003 8.780 0.223 1
1 142 . 10 1 1 A 25 25 THR HA H 25 4.470 4.875 -0.405 1
1 147 . 10 1 1 A 25 25 THR C C 25 175.209 176.087 -0.878 1
1 148 . 10 1 1 A 25 25 THR CA C 25 60.598 60.024 0.574 1
1 149 . 10 1 1 A 25 25 THR CB C 25 70.801 71.399 -0.598 1
1 151 . 10 1 1 A 25 25 THR N N 25 113.078 114.691 -1.613 1
1 152 . 10 1 1 A 26 26 GLU H H 26 8.991 9.034 -0.043 1
1 153 . 10 1 1 A 26 26 GLU HA H 26 4.036 3.951 0.085 1
1 158 . 10 1 1 A 26 26 GLU C C 26 179.118 178.751 0.367 1
1 159 . 10 1 1 A 26 26 GLU CA C 26 60.222 59.590 0.632 1
1 160 . 10 1 1 A 26 26 GLU CB C 26 29.271 29.231 0.040 1
1 162 . 10 1 1 A 26 26 GLU N N 26 120.978 122.198 -1.220 1
1 163 . 10 1 1 A 27 27 LEU H H 27 8.120 7.900 0.220 1
1 164 . 10 1 1 A 27 27 LEU HA H 27 4.117 4.073 0.044 1
1 174 . 10 1 1 A 27 27 LEU C C 27 180.623 178.878 1.745 1
1 175 . 10 1 1 A 27 27 LEU CA C 27 58.187 57.828 0.359 1
1 176 . 10 1 1 A 27 27 LEU CB C 27 42.220 41.625 0.595 1
1 180 . 10 1 1 A 27 27 LEU N N 27 118.897 121.261 -2.364 1
1 181 . 10 1 1 A 28 28 GLN H H 28 7.733 8.002 -0.269 1
1 182 . 10 1 1 A 28 28 GLN HA H 28 3.864 4.015 -0.151 1
1 189 . 10 1 1 A 28 28 GLN C C 28 177.492 178.711 -1.219 1
1 190 . 10 1 1 A 28 28 GLN CA C 28 59.212 58.425 0.787 1
1 191 . 10 1 1 A 28 28 GLN CB C 28 27.740 28.291 -0.551 1
1 193 . 10 1 1 A 28 28 GLN N N 28 119.947 118.386 1.561 1
1 195 . 10 1 1 A 29 29 LEU H H 29 8.336 8.425 -0.089 1
1 196 . 10 1 1 A 29 29 LEU HA H 29 3.665 3.753 -0.088 1
1 206 . 10 1 1 A 29 29 LEU C C 29 179.118 178.539 0.579 1
1 207 . 10 1 1 A 29 29 LEU CA C 29 58.068 57.736 0.332 1
1 208 . 10 1 1 A 29 29 LEU CB C 29 41.582 41.562 0.020 1
1 212 . 10 1 1 A 29 29 LEU N N 29 118.154 119.304 -1.150 1
1 213 . 10 1 1 A 30 30 MET H H 30 8.282 8.369 -0.087 1
1 214 . 10 1 1 A 30 30 MET HA H 30 4.118 4.066 0.052 1
1 222 . 10 1 1 A 30 30 MET C C 30 179.070 178.690 0.380 1
1 223 . 10 1 1 A 30 30 MET CA C 30 58.583 58.662 -0.079 1
1 224 . 10 1 1 A 30 30 MET CB C 30 32.665 32.348 0.317 1
1 227 . 10 1 1 A 30 30 MET N N 30 117.314 118.626 -1.312 1
1 228 . 10 1 1 A 31 31 GLY H H 31 7.904 8.179 -0.275 1
1 229 . 10 1 1 A 31 31 GLY HA2 H 31 3.787 3.585 0.202 1
1 230 . 10 1 1 A 31 31 GLY HA3 H 31 3.631 3.612 0.019 1
1 231 . 10 1 1 A 31 31 GLY C C 31 176.618 175.772 0.846 1
1 232 . 10 1 1 A 31 31 GLY CA C 31 47.231 47.223 0.008 1
1 233 . 10 1 1 A 31 31 GLY N N 31 107.053 107.116 -0.063 1
1 234 . 10 1 1 A 32 32 LEU H H 32 7.982 8.436 -0.454 1
1 235 . 10 1 1 A 32 32 LEU HA H 32 3.577 3.856 -0.279 1
1 245 . 10 1 1 A 32 32 LEU C C 32 177.564 179.152 -1.588 1
1 246 . 10 1 1 A 32 32 LEU CA C 32 58.318 57.536 0.782 1
1 247 . 10 1 1 A 32 32 LEU CB C 32 38.280 40.666 -2.386 1
1 251 . 10 1 1 A 32 32 LEU N N 32 125.323 122.305 3.018 1
1 252 . 10 1 1 A 33 33 GLU H H 33 8.054 8.084 -0.030 1
1 253 . 10 1 1 A 33 33 GLU HA H 33 4.283 4.193 0.090 1
1 258 . 10 1 1 A 33 33 GLU C C 33 180.041 179.115 0.926 1
1 259 . 10 1 1 A 33 33 GLU CA C 33 59.157 59.847 -0.690 1
1 260 . 10 1 1 A 33 33 GLU CB C 33 29.155 29.358 -0.203 1
1 262 . 10 1 1 A 33 33 GLU N N 33 118.448 118.020 0.428 1
1 263 . 10 1 1 A 34 34 LYS H H 34 8.229 7.618 0.611 1
1 264 . 10 1 1 A 34 34 LYS HA H 34 4.099 3.986 0.113 1
1 271 . 10 1 1 A 34 34 LYS C C 34 179.822 179.172 0.650 1
1 272 . 10 1 1 A 34 34 LYS CA C 34 58.789 59.567 -0.778 1
1 273 . 10 1 1 A 34 34 LYS CB C 34 32.073 32.446 -0.373 1
1 277 . 10 1 1 A 34 34 LYS N N 34 118.230 120.782 -2.552 1
1 278 . 10 1 1 A 35 35 ARG H H 35 7.560 7.859 -0.299 1
1 279 . 10 1 1 A 35 35 ARG HA H 35 4.190 4.080 0.110 1
1 286 . 10 1 1 A 35 35 ARG C C 35 178.001 178.637 -0.636 1
1 287 . 10 1 1 A 35 35 ARG CA C 35 57.095 59.397 -2.302 1
1 288 . 10 1 1 A 35 35 ARG CB C 35 28.882 30.119 -1.237 1
1 291 . 10 1 1 A 35 35 ARG N N 35 120.162 118.515 1.647 1
1 292 . 10 1 1 A 36 36 PHE H H 36 8.810 8.469 0.341 1
1 293 . 10 1 1 A 36 36 PHE HA H 36 4.227 3.795 0.432 1
1 301 . 10 1 1 A 36 36 PHE C C 36 176.520 177.463 -0.943 1
1 302 . 10 1 1 A 36 36 PHE CA C 36 60.886 61.501 -0.615 1
1 303 . 10 1 1 A 36 36 PHE CB C 36 39.333 39.095 0.238 1
1 309 . 10 1 1 A 36 36 PHE N N 36 122.860 120.605 2.255 1
1 310 . 10 1 1 A 37 37 GLU H H 37 7.772 8.584 -0.812 1
1 311 . 10 1 1 A 37 37 GLU HA H 37 3.701 3.907 -0.206 1
1 316 . 10 1 1 A 37 37 GLU C C 37 177.297 179.049 -1.752 1
1 317 . 10 1 1 A 37 37 GLU CA C 37 59.036 59.895 -0.859 1
1 318 . 10 1 1 A 37 37 GLU CB C 37 29.981 29.600 0.381 1
1 320 . 10 1 1 A 37 37 GLU N N 37 116.313 117.566 -1.253 1
1 321 . 10 1 1 A 38 38 LYS H H 38 7.005 7.723 -0.718 1
1 322 . 10 1 1 A 38 38 LYS HA H 38 4.280 4.109 0.171 1
1 329 . 10 1 1 A 38 38 LYS C C 38 177.079 177.146 -0.067 1
1 330 . 10 1 1 A 38 38 LYS CA C 38 56.741 58.920 -2.179 1
1 331 . 10 1 1 A 38 38 LYS CB C 38 34.301 32.591 1.710 1
1 335 . 10 1 1 A 38 38 LYS N N 38 114.632 120.085 -5.453 1
1 336 . 10 1 1 A 39 39 GLN H H 39 8.641 8.222 0.419 1
1 337 . 10 1 1 A 39 39 GLN HA H 39 4.509 4.439 0.070 1
1 344 . 10 1 1 A 39 39 GLN C C 39 173.340 175.474 -2.134 1
1 345 . 10 1 1 A 39 39 GLN CA C 39 55.527 54.481 1.046 1
1 346 . 10 1 1 A 39 39 GLN CB C 39 31.827 29.136 2.691 1
1 348 . 10 1 1 A 39 39 GLN N N 39 120.830 118.276 2.554 1
1 350 . 10 1 1 A 40 40 LYS H H 40 8.474 8.200 0.274 1
1 351 . 10 1 1 A 40 40 LYS HA H 40 3.598 3.060 0.538 1
1 360 . 10 1 1 A 40 40 LYS C C 40 174.530 175.611 -1.081 1
1 361 . 10 1 1 A 40 40 LYS CA C 40 56.459 58.838 -2.379 1
1 362 . 10 1 1 A 40 40 LYS CB C 40 32.276 31.505 0.771 1
1 366 . 10 1 1 A 40 40 LYS N N 40 125.122 125.589 -0.467 1
1 367 . 10 1 1 A 41 41 TYR H H 41 7.513 7.673 -0.160 1
1 368 . 10 1 1 A 41 41 TYR HA H 41 4.537 5.345 -0.808 1
1 375 . 10 1 1 A 41 41 TYR C C 41 174.700 174.813 -0.113 1
1 376 . 10 1 1 A 41 41 TYR CA C 41 56.743 56.659 0.084 1
1 377 . 10 1 1 A 41 41 TYR CB C 41 41.274 41.604 -0.330 1
1 382 . 10 1 1 A 41 41 TYR N N 41 113.703 115.547 -1.844 1
1 383 . 10 1 1 A 42 42 LEU H H 42 8.544 8.904 -0.360 1
1 384 . 10 1 1 A 42 42 LEU HA H 42 4.610 5.055 -0.445 1
1 394 . 10 1 1 A 42 42 LEU C C 42 177.273 175.198 2.075 1
1 395 . 10 1 1 A 42 42 LEU CA C 42 53.408 53.417 -0.009 1
1 396 . 10 1 1 A 42 42 LEU CB C 42 44.040 45.662 -1.622 1
1 400 . 10 1 1 A 42 42 LEU N N 42 123.003 122.027 0.976 1
1 401 . 10 1 1 A 43 43 SER H H 43 8.651 8.592 0.059 1
1 402 . 10 1 1 A 43 43 SER HA H 43 4.621 4.731 -0.110 1
1 405 . 10 1 1 A 43 43 SER C C 43 174.530 175.306 -0.776 1
1 406 . 10 1 1 A 43 43 SER CA C 43 57.053 57.556 -0.503 1
1 407 . 10 1 1 A 43 43 SER CB C 43 64.786 64.446 0.340 1
1 408 . 10 1 1 A 43 43 SER N N 43 118.850 117.065 1.785 1
1 409 . 10 1 1 A 44 44 THR H H 44 9.159 8.904 0.255 1
1 410 . 10 1 1 A 44 44 THR HA H 44 4.428 4.021 0.407 1
1 415 . 10 1 1 A 44 44 THR C C 44 175.428 173.472 1.956 1
1 416 . 10 1 1 A 44 44 THR CA C 44 66.563 67.687 -1.124 1
1 417 . 10 1 1 A 44 44 THR CB C 44 69.210 67.820 1.390 1
1 419 . 10 1 1 A 44 44 THR N N 44 117.903 120.933 -3.030 1
1 420 . 10 1 1 A 45 45 PRO HA H 45 4.188 4.282 -0.094 1
1 427 . 10 1 1 A 45 45 PRO C C 45 179.312 178.663 0.649 1
1 428 . 10 1 1 A 45 45 PRO CA C 45 66.163 66.060 0.103 1
1 429 . 10 1 1 A 45 45 PRO CB C 45 30.975 30.476 0.499 1
1 432 . 10 1 1 A 46 46 ASP H H 46 7.289 8.294 -1.005 1
1 433 . 10 1 1 A 46 46 ASP HA H 46 4.387 4.327 0.060 1
1 436 . 10 1 1 A 46 46 ASP C C 46 178.390 178.795 -0.405 1
1 437 . 10 1 1 A 46 46 ASP CA C 46 56.974 57.591 -0.617 1
1 438 . 10 1 1 A 46 46 ASP CB C 46 41.498 40.336 1.162 1
1 439 . 10 1 1 A 46 46 ASP N N 46 117.060 117.680 -0.620 1
1 440 . 10 1 1 A 47 47 ARG H H 47 8.493 8.093 0.400 1
1 441 . 10 1 1 A 47 47 ARG HA H 47 3.754 3.995 -0.241 1
1 448 . 10 1 1 A 47 47 ARG C C 47 177.880 178.597 -0.717 1
1 449 . 10 1 1 A 47 47 ARG CA C 47 60.123 58.811 1.312 1
1 450 . 10 1 1 A 47 47 ARG CB C 47 30.355 29.963 0.392 1
1 453 . 10 1 1 A 47 47 ARG N N 47 122.143 120.096 2.047 1
1 454 . 10 1 1 A 48 48 ILE H H 48 8.219 7.915 0.304 1
1 455 . 10 1 1 A 48 48 ILE HA H 48 3.475 3.545 -0.070 1
1 465 . 10 1 1 A 48 48 ILE C C 48 178.026 177.783 0.243 1
1 466 . 10 1 1 A 48 48 ILE CA C 48 66.105 65.557 0.548 1
1 467 . 10 1 1 A 48 48 ILE CB C 48 38.440 38.170 0.270 1
1 471 . 10 1 1 A 48 48 ILE N N 48 119.888 120.044 -0.156 1
1 472 . 10 1 1 A 49 49 ASP H H 49 7.775 8.084 -0.309 1
1 473 . 10 1 1 A 49 49 ASP HA H 49 4.406 4.273 0.133 1
1 476 . 10 1 1 A 49 49 ASP C C 49 178.900 178.011 0.889 1
1 477 . 10 1 1 A 49 49 ASP CA C 49 57.380 57.425 -0.045 1
1 478 . 10 1 1 A 49 49 ASP CB C 49 41.523 41.623 -0.100 1
1 479 . 10 1 1 A 49 49 ASP N N 49 119.245 120.361 -1.116 1
1 480 . 10 1 1 A 50 50 LEU H H 50 8.344 8.006 0.338 1
1 481 . 10 1 1 A 50 50 LEU HA H 50 4.090 4.057 0.033 1
1 491 . 10 1 1 A 50 50 LEU C C 50 178.705 178.161 0.544 1
1 492 . 10 1 1 A 50 50 LEU CA C 50 57.651 58.174 -0.523 1
1 493 . 10 1 1 A 50 50 LEU CB C 50 42.526 41.984 0.542 1
1 497 . 10 1 1 A 50 50 LEU N N 50 121.649 120.441 1.208 1
1 498 . 10 1 1 A 51 51 ALA H H 51 8.513 8.471 0.042 1
1 499 . 10 1 1 A 51 51 ALA HA H 51 3.611 3.941 -0.330 1
1 503 . 10 1 1 A 51 51 ALA C C 51 179.749 179.865 -0.116 1
1 504 . 10 1 1 A 51 51 ALA CA C 51 56.139 55.225 0.914 1
1 505 . 10 1 1 A 51 51 ALA CB C 51 17.519 18.401 -0.882 1
1 506 . 10 1 1 A 51 51 ALA N N 51 120.902 120.254 0.648 1
1 507 . 10 1 1 A 52 52 GLU H H 52 8.285 7.834 0.451 1
1 508 . 10 1 1 A 52 52 GLU HA H 52 4.097 4.097 0.000 1
1 513 . 10 1 1 A 52 52 GLU C C 52 180.114 179.015 1.099 1
1 514 . 10 1 1 A 52 52 GLU CA C 52 59.307 58.919 0.388 1
1 515 . 10 1 1 A 52 52 GLU CB C 52 29.408 28.896 0.512 1
1 517 . 10 1 1 A 52 52 GLU N N 52 116.933 119.105 -2.172 1
1 518 . 10 1 1 A 53 53 SER H H 53 8.229 8.072 0.157 1
1 519 . 10 1 1 A 53 53 SER HA H 53 4.251 4.253 -0.002 1
1 522 . 10 1 1 A 53 53 SER C C 53 176.059 176.722 -0.663 1
1 523 . 10 1 1 A 53 53 SER CA C 53 61.347 61.325 0.022 1
1 524 . 10 1 1 A 53 53 SER CB C 53 63.235 62.973 0.262 1
1 525 . 10 1 1 A 53 53 SER N N 53 114.615 115.906 -1.291 1
1 526 . 10 1 1 A 54 54 LEU H H 54 7.675 7.621 0.054 1
1 527 . 10 1 1 A 54 54 LEU HA H 54 4.513 4.283 0.230 1
1 537 . 10 1 1 A 54 54 LEU C C 54 177.516 177.115 0.401 1
1 538 . 10 1 1 A 54 54 LEU CA C 54 54.422 55.508 -1.086 1
1 539 . 10 1 1 A 54 54 LEU CB C 54 43.880 42.765 1.115 1
1 543 . 10 1 1 A 54 54 LEU N N 54 117.401 118.695 -1.294 1
1 544 . 10 1 1 A 55 55 GLY H H 55 7.941 8.347 -0.406 1
1 545 . 10 1 1 A 55 55 GLY HA2 H 55 3.982 3.923 0.059 1
1 546 . 10 1 1 A 55 55 GLY HA3 H 55 4.026 3.924 0.102 1
1 547 . 10 1 1 A 55 55 GLY C C 55 174.360 174.350 0.010 1
1 548 . 10 1 1 A 55 55 GLY CA C 55 46.728 45.863 0.865 1
1 549 . 10 1 1 A 55 55 GLY N N 55 111.061 106.432 4.629 1
1 550 . 10 1 1 A 56 56 LEU H H 56 8.190 8.130 0.060 1
1 551 . 10 1 1 A 56 56 LEU HA H 56 4.803 4.794 0.009 1
1 561 . 10 1 1 A 56 56 LEU C C 56 175.914 175.866 0.048 1
1 562 . 10 1 1 A 56 56 LEU CA C 56 52.510 53.440 -0.930 1
1 563 . 10 1 1 A 56 56 LEU CB C 56 47.484 43.059 4.425 1
1 567 . 10 1 1 A 56 56 LEU N N 56 119.967 121.576 -1.609 1
1 568 . 10 1 1 A 57 57 SER H H 57 9.037 8.996 0.041 1
1 569 . 10 1 1 A 57 57 SER HA H 57 4.423 4.663 -0.240 1
1 572 . 10 1 1 A 57 57 SER C C 57 176.618 175.515 1.103 1
1 573 . 10 1 1 A 57 57 SER CA C 57 56.189 58.139 -1.950 1
1 574 . 10 1 1 A 57 57 SER CB C 57 65.579 64.342 1.237 1
1 575 . 10 1 1 A 57 57 SER N N 57 115.098 117.271 -2.173 1
1 576 . 10 1 1 A 58 58 GLN HA H 58 3.741 3.945 -0.204 1
1 583 . 10 1 1 A 58 58 GLN C C 58 177.904 178.255 -0.351 1
1 584 . 10 1 1 A 58 58 GLN CA C 58 60.504 59.238 1.266 1
1 585 . 10 1 1 A 58 58 GLN CB C 58 28.365 28.307 0.058 1
1 588 . 10 1 1 A 59 59 LEU H H 59 8.207 8.103 0.104 1
1 589 . 10 1 1 A 59 59 LEU HA H 59 4.192 4.117 0.075 1
1 599 . 10 1 1 A 59 59 LEU C C 59 179.871 178.855 1.016 1
1 600 . 10 1 1 A 59 59 LEU CA C 59 57.878 57.771 0.107 1
1 601 . 10 1 1 A 59 59 LEU CB C 59 41.747 41.589 0.158 1
1 605 . 10 1 1 A 59 59 LEU N N 59 120.246 121.333 -1.087 1
1 606 . 10 1 1 A 60 60 GLN H H 60 8.125 8.477 -0.352 1
1 607 . 10 1 1 A 60 60 GLN HA H 60 4.214 4.191 0.023 1
1 614 . 10 1 1 A 60 60 GLN C C 60 179.434 178.931 0.503 1
1 615 . 10 1 1 A 60 60 GLN CA C 60 59.530 58.646 0.884 1
1 616 . 10 1 1 A 60 60 GLN CB C 60 29.651 28.665 0.986 1
1 618 . 10 1 1 A 60 60 GLN N N 60 120.637 118.489 2.148 1
1 620 . 10 1 1 A 61 61 VAL H H 61 7.717 7.623 0.094 1
1 621 . 10 1 1 A 61 61 VAL HA H 61 3.673 3.796 -0.123 1
1 629 . 10 1 1 A 61 61 VAL C C 61 176.982 177.895 -0.913 1
1 630 . 10 1 1 A 61 61 VAL CA C 61 67.670 67.100 0.570 1
1 631 . 10 1 1 A 61 61 VAL CB C 61 31.899 31.345 0.554 1
1 634 . 10 1 1 A 61 61 VAL N N 61 118.389 120.046 -1.657 1
1 635 . 10 1 1 A 62 62 LYS H H 62 8.578 8.051 0.527 1
1 636 . 10 1 1 A 62 62 LYS HA H 62 4.423 4.034 0.389 1
1 644 . 10 1 1 A 62 62 LYS C C 62 179.749 178.851 0.898 1
1 645 . 10 1 1 A 62 62 LYS CA C 62 59.821 60.011 -0.190 1
1 646 . 10 1 1 A 62 62 LYS CB C 62 33.793 32.782 1.011 1
1 650 . 10 1 1 A 62 62 LYS N N 62 120.540 120.449 0.091 1
1 651 . 10 1 1 A 63 63 THR H H 63 8.722 8.597 0.125 1
1 652 . 10 1 1 A 63 63 THR HA H 63 4.007 4.042 -0.035 1
1 657 . 10 1 1 A 63 63 THR C C 63 176.059 176.638 -0.579 1
1 658 . 10 1 1 A 63 63 THR CA C 63 66.527 67.046 -0.519 1
1 659 . 10 1 1 A 63 63 THR CB C 63 69.236 68.725 0.511 1
1 661 . 10 1 1 A 63 63 THR N N 63 115.962 114.707 1.255 1
1 662 . 10 1 1 A 64 64 TRP H H 64 8.506 8.788 -0.282 1
1 663 . 10 1 1 A 64 64 TRP HA H 64 4.064 4.238 -0.174 1
1 672 . 10 1 1 A 64 64 TRP C C 64 179.264 178.085 1.179 1
1 673 . 10 1 1 A 64 64 TRP CA C 64 63.070 61.102 1.968 1
1 674 . 10 1 1 A 64 64 TRP CB C 64 29.048 29.692 -0.644 1
1 680 . 10 1 1 A 64 64 TRP N N 64 123.609 121.458 2.151 1
1 682 . 10 1 1 A 65 65 TYR H H 65 9.152 8.435 0.717 1
1 683 . 10 1 1 A 65 65 TYR HA H 65 3.660 4.417 -0.757 1
1 690 . 10 1 1 A 65 65 TYR C C 65 178.535 178.370 0.165 1
1 691 . 10 1 1 A 65 65 TYR CA C 65 63.749 61.732 2.017 1
1 692 . 10 1 1 A 65 65 TYR CB C 65 39.082 38.685 0.397 1
1 697 . 10 1 1 A 65 65 TYR N N 65 121.400 118.649 2.751 1
1 698 . 10 1 1 A 66 66 GLN H H 66 7.981 8.040 -0.059 1
1 699 . 10 1 1 A 66 66 GLN HA H 66 4.036 4.133 -0.097 1
1 706 . 10 1 1 A 66 66 GLN C C 66 179.045 178.263 0.782 1
1 707 . 10 1 1 A 66 66 GLN CA C 66 59.255 59.084 0.171 1
1 708 . 10 1 1 A 66 66 GLN CB C 66 28.207 28.578 -0.371 1
1 710 . 10 1 1 A 66 66 GLN N N 66 116.821 119.433 -2.612 1
1 712 . 10 1 1 A 67 67 ASN H H 67 7.862 7.907 -0.045 1
1 713 . 10 1 1 A 67 67 ASN HA H 67 4.367 4.488 -0.121 1
1 718 . 10 1 1 A 67 67 ASN C C 67 177.759 177.969 -0.210 1
1 719 . 10 1 1 A 67 67 ASN CA C 67 55.852 55.973 -0.121 1
1 720 . 10 1 1 A 67 67 ASN CB C 67 38.119 38.204 -0.085 1
1 721 . 10 1 1 A 67 67 ASN N N 67 118.257 117.333 0.924 1
1 723 . 10 1 1 A 68 68 ARG H H 68 8.533 7.956 0.577 1
1 724 . 10 1 1 A 68 68 ARG HA H 68 3.430 3.430 0.000 1
1 732 . 10 1 1 A 68 68 ARG C C 68 179.992 178.990 1.002 1
1 733 . 10 1 1 A 68 68 ARG CA C 68 56.391 59.531 -3.140 1
1 734 . 10 1 1 A 68 68 ARG CB C 68 27.959 28.825 -0.866 1
1 737 . 10 1 1 A 68 68 ARG N N 68 123.922 118.442 5.480 1
1 739 . 10 1 1 A 69 69 ARG H H 69 8.226 8.269 -0.043 1
1 740 . 10 1 1 A 69 69 ARG HA H 69 4.357 4.292 0.065 1
1 747 . 10 1 1 A 69 69 ARG C C 69 178.535 179.231 -0.696 1
1 748 . 10 1 1 A 69 69 ARG CA C 69 60.681 59.617 1.064 1
1 749 . 10 1 1 A 69 69 ARG CB C 69 31.938 29.907 2.031 1
1 752 . 10 1 1 A 69 69 ARG N N 69 118.839 119.498 -0.659 1
1 753 . 10 1 1 A 70 70 MET H H 70 7.480 8.244 -0.764 1
1 754 . 10 1 1 A 70 70 MET HA H 70 4.287 4.024 0.263 1
1 762 . 10 1 1 A 70 70 MET C C 70 178.098 179.168 -1.070 1
1 763 . 10 1 1 A 70 70 MET CA C 70 58.381 59.820 -1.439 1
1 764 . 10 1 1 A 70 70 MET CB C 70 32.011 32.784 -0.773 1
1 767 . 10 1 1 A 70 70 MET N N 70 118.164 120.361 -2.197 1
1 768 . 10 1 1 A 71 71 LYS H H 71 7.298 7.841 -0.543 1
1 769 . 10 1 1 A 71 71 LYS HA H 71 4.086 4.001 0.085 1
1 778 . 10 1 1 A 71 71 LYS C C 71 177.831 179.054 -1.223 1
1 779 . 10 1 1 A 71 71 LYS CA C 71 58.324 58.615 -0.291 1
1 780 . 10 1 1 A 71 71 LYS CB C 71 32.732 32.355 0.377 1
1 784 . 10 1 1 A 71 71 LYS N N 71 118.798 118.228 0.570 1
1 785 . 10 1 1 A 72 72 TRP H H 72 7.952 8.434 -0.482 1
1 786 . 10 1 1 A 72 72 TRP HA H 72 4.721 4.188 0.533 1
1 795 . 10 1 1 A 72 72 TRP C C 72 177.152 177.046 0.106 1
1 796 . 10 1 1 A 72 72 TRP CA C 72 58.506 60.516 -2.010 1
1 797 . 10 1 1 A 72 72 TRP CB C 72 29.602 29.527 0.075 1
1 803 . 10 1 1 A 72 72 TRP N N 72 121.455 122.060 -0.605 1
1 805 . 10 1 1 A 73 73 LYS H H 73 8.241 8.056 0.185 1
1 806 . 10 1 1 A 73 73 LYS HA H 73 3.781 3.553 0.228 1
1 815 . 10 1 1 A 73 73 LYS C C 73 176.957 176.509 0.448 1
1 816 . 10 1 1 A 73 73 LYS CA C 73 57.074 56.642 0.432 1
1 817 . 10 1 1 A 73 73 LYS CB C 73 32.567 32.456 0.111 1
1 821 . 10 1 1 A 73 73 LYS N N 73 120.065 119.133 0.932 1
1 822 . 10 1 1 A 74 74 LYS H H 74 7.705 8.089 -0.384 1
1 823 . 10 1 1 A 74 74 LYS HA H 74 4.154 4.003 0.151 1
1 830 . 10 1 1 A 74 74 LYS C C 74 176.836 176.299 0.537 1
1 831 . 10 1 1 A 74 74 LYS CA C 74 57.028 56.620 0.408 1
1 832 . 10 1 1 A 74 74 LYS CB C 74 32.402 32.617 -0.215 1
1 836 . 10 1 1 A 74 74 LYS N N 74 120.036 122.634 -2.598 1
1 837 . 10 1 1 A 75 75 SER H H 75 7.986 8.863 -0.877 1
1 838 . 10 1 1 A 75 75 SER HA H 75 4.470 4.069 0.401 1
1 841 . 10 1 1 A 75 75 SER C C 75 174.530 173.802 0.728 1
1 842 . 10 1 1 A 75 75 SER CA C 75 58.786 58.960 -0.174 1
1 843 . 10 1 1 A 75 75 SER CB C 75 63.975 61.392 2.583 1
1 844 . 10 1 1 A 75 75 SER N N 75 115.488 115.688 -0.200 1
1 845 . 10 1 1 A 76 76 GLY H H 76 8.040 8.133 -0.093 1
1 846 . 10 1 1 A 76 76 GLY HA2 H 76 4.076 3.957 0.119 1
1 847 . 10 1 1 A 76 76 GLY HA3 H 76 4.099 3.967 0.132 1
1 848 . 10 1 1 A 76 76 GLY C C 76 171.835 172.944 -1.109 1
1 849 . 10 1 1 A 76 76 GLY CA C 76 44.789 44.158 0.631 1
1 850 . 10 1 1 A 76 76 GLY N N 76 110.454 108.473 1.981 1
1 851 . 10 1 1 A 77 77 PRO HA H 77 4.456 4.446 0.010 1
1 856 . 10 1 1 A 77 77 PRO CA C 77 63.323 62.889 0.434 1
1 857 . 10 1 1 A 77 77 PRO CB C 77 32.209 32.198 0.011 1
1 860 . 10 1 1 A 79 79 SER HA H 79 4.506 5.003 -0.497 1
1 863 . 10 1 1 A 79 79 SER C C 79 173.947 172.838 1.109 1
1 864 . 10 1 1 A 79 79 SER CA C 79 58.433 57.075 1.358 1
1 865 . 10 1 1 A 79 79 SER CB C 79 63.960 66.028 -2.068 1
1 1 . 11 1 1 A 7 7 GLY HA2 H 7 4.014 4.345 -0.331 1
1 2 . 11 1 1 A 7 7 GLY HA3 H 7 4.014 4.346 -0.332 1
1 3 . 11 1 1 A 7 7 GLY C C 7 174.578 171.998 2.580 1
1 4 . 11 1 1 A 7 7 GLY CA C 7 45.445 45.738 -0.293 1
1 5 . 11 1 1 A 8 8 GLY H H 8 8.219 8.208 0.011 1
1 6 . 11 1 1 A 8 8 GLY HA2 H 8 3.959 4.217 -0.258 1
1 7 . 11 1 1 A 8 8 GLY HA3 H 8 3.959 4.219 -0.260 1
1 8 . 11 1 1 A 8 8 GLY C C 8 173.898 173.486 0.412 1
1 9 . 11 1 1 A 8 8 GLY CA C 8 44.923 45.908 -0.985 1
1 10 . 11 1 1 A 8 8 GLY N N 8 108.655 109.424 -0.769 1
1 11 . 11 1 1 A 9 9 GLU H H 9 8.378 8.825 -0.447 1
1 12 . 11 1 1 A 9 9 GLU HA H 9 4.586 3.877 0.709 1
1 16 . 11 1 1 A 9 9 GLU C C 9 175.015 174.877 0.138 1
1 17 . 11 1 1 A 9 9 GLU CA C 9 54.661 56.965 -2.304 1
1 18 . 11 1 1 A 9 9 GLU CB C 9 29.534 28.322 1.212 1
1 20 . 11 1 1 A 9 9 GLU N N 9 121.838 117.834 4.004 1
1 21 . 11 1 1 A 10 10 PRO HA H 10 4.428 4.599 -0.171 1
1 28 . 11 1 1 A 10 10 PRO C C 10 177.856 176.735 1.121 1
1 29 . 11 1 1 A 10 10 PRO CA C 10 63.767 62.285 1.482 1
1 30 . 11 1 1 A 10 10 PRO CB C 10 32.080 32.974 -0.894 1
1 33 . 11 1 1 A 11 11 GLY H H 11 8.556 8.328 0.228 1
1 34 . 11 1 1 A 11 11 GLY HA2 H 11 3.997 4.042 -0.045 1
1 35 . 11 1 1 A 11 11 GLY HA3 H 11 3.997 4.043 -0.046 1
1 36 . 11 1 1 A 11 11 GLY C C 11 174.724 172.910 1.814 1
1 37 . 11 1 1 A 11 11 GLY CA C 11 45.529 44.712 0.817 1
1 38 . 11 1 1 A 11 11 GLY N N 11 108.931 107.971 0.960 1
1 39 . 11 1 1 A 12 12 THR H H 12 7.973 8.582 -0.609 1
1 40 . 11 1 1 A 12 12 THR HA H 12 4.306 4.819 -0.513 1
1 45 . 11 1 1 A 12 12 THR C C 12 174.942 173.645 1.297 1
1 46 . 11 1 1 A 12 12 THR CA C 12 62.240 61.320 0.920 1
1 47 . 11 1 1 A 12 12 THR CB C 12 69.882 72.164 -2.282 1
1 49 . 11 1 1 A 12 12 THR N N 12 113.454 115.430 -1.976 1
1 50 . 11 1 1 A 13 13 LYS H H 13 8.313 8.718 -0.405 1
1 51 . 11 1 1 A 13 13 LYS HA H 13 4.281 4.884 -0.603 1
1 58 . 11 1 1 A 13 13 LYS C C 13 176.520 175.686 0.834 1
1 59 . 11 1 1 A 13 13 LYS CA C 13 56.565 55.583 0.982 1
1 60 . 11 1 1 A 13 13 LYS CB C 13 32.590 33.788 -1.198 1
1 64 . 11 1 1 A 13 13 LYS N N 13 123.479 125.329 -1.850 1
1 65 . 11 1 1 A 14 14 ALA H H 14 8.192 8.638 -0.446 1
1 66 . 11 1 1 A 14 14 ALA HA H 14 4.272 4.918 -0.646 1
1 70 . 11 1 1 A 14 14 ALA C C 14 177.807 175.645 2.162 1
1 71 . 11 1 1 A 14 14 ALA CA C 14 52.581 51.975 0.606 1
1 72 . 11 1 1 A 14 14 ALA CB C 14 19.258 21.874 -2.616 1
1 73 . 11 1 1 A 14 14 ALA N N 14 124.692 122.291 2.401 1
1 74 . 11 1 1 A 15 15 LYS H H 15 8.264 8.865 -0.601 1
1 75 . 11 1 1 A 15 15 LYS HA H 15 4.296 5.172 -0.876 1
1 81 . 11 1 1 A 15 15 LYS C C 15 176.812 175.346 1.466 1
1 82 . 11 1 1 A 15 15 LYS CA C 15 56.403 55.050 1.353 1
1 83 . 11 1 1 A 15 15 LYS CB C 15 32.979 34.415 -1.436 1
1 87 . 11 1 1 A 15 15 LYS N N 15 120.979 120.649 0.330 1
1 88 . 11 1 1 A 16 16 LYS H H 16 8.330 8.859 -0.529 1
1 89 . 11 1 1 A 16 16 LYS HA H 16 4.289 5.009 -0.720 1
1 93 . 11 1 1 A 16 16 LYS C C 16 177.103 175.438 1.665 1
1 94 . 11 1 1 A 16 16 LYS CB C 16 33.072 36.894 -3.822 1
1 98 . 11 1 1 A 16 16 LYS N N 16 122.581 123.157 -0.576 1
1 99 . 11 1 1 A 22 22 THR HA H 22 4.294 4.956 -0.662 1
1 104 . 11 1 1 A 22 22 THR C C 22 174.020 172.590 1.430 1
1 105 . 11 1 1 A 22 22 THR CA C 22 61.928 60.475 1.453 1
1 106 . 11 1 1 A 22 22 THR CB C 22 69.730 71.289 -1.559 1
1 108 . 11 1 1 A 23 23 VAL H H 23 8.087 8.884 -0.797 1
1 109 . 11 1 1 A 23 23 VAL HA H 23 4.112 4.965 -0.853 1
1 117 . 11 1 1 A 23 23 VAL C C 23 175.646 173.525 2.121 1
1 118 . 11 1 1 A 23 23 VAL CA C 23 62.011 59.142 2.869 1
1 119 . 11 1 1 A 23 23 VAL CB C 23 33.060 34.776 -1.716 1
1 122 . 11 1 1 A 23 23 VAL N N 23 123.252 123.843 -0.591 1
1 123 . 11 1 1 A 24 24 PHE H H 24 8.220 9.082 -0.862 1
1 124 . 11 1 1 A 24 24 PHE HA H 24 4.976 5.205 -0.229 1
1 132 . 11 1 1 A 24 24 PHE C C 24 176.739 175.173 1.566 1
1 133 . 11 1 1 A 24 24 PHE CA C 24 56.389 56.620 -0.231 1
1 134 . 11 1 1 A 24 24 PHE CB C 24 40.492 42.252 -1.760 1
1 140 . 11 1 1 A 24 24 PHE N N 24 123.332 127.390 -4.058 1
1 141 . 11 1 1 A 25 25 THR H H 25 9.003 9.024 -0.021 1
1 142 . 11 1 1 A 25 25 THR HA H 25 4.470 4.828 -0.358 1
1 147 . 11 1 1 A 25 25 THR C C 25 175.209 176.371 -1.162 1
1 148 . 11 1 1 A 25 25 THR CA C 25 60.598 59.817 0.781 1
1 149 . 11 1 1 A 25 25 THR CB C 25 70.801 71.653 -0.852 1
1 151 . 11 1 1 A 25 25 THR N N 25 113.078 113.492 -0.414 1
1 152 . 11 1 1 A 26 26 GLU H H 26 8.991 9.088 -0.097 1
1 153 . 11 1 1 A 26 26 GLU HA H 26 4.036 3.977 0.059 1
1 158 . 11 1 1 A 26 26 GLU C C 26 179.118 178.925 0.193 1
1 159 . 11 1 1 A 26 26 GLU CA C 26 60.222 59.456 0.766 1
1 160 . 11 1 1 A 26 26 GLU CB C 26 29.271 29.229 0.042 1
1 162 . 11 1 1 A 26 26 GLU N N 26 120.978 122.006 -1.028 1
1 163 . 11 1 1 A 27 27 LEU H H 27 8.120 8.097 0.023 1
1 164 . 11 1 1 A 27 27 LEU HA H 27 4.117 4.031 0.086 1
1 174 . 11 1 1 A 27 27 LEU C C 27 180.623 178.861 1.762 1
1 175 . 11 1 1 A 27 27 LEU CA C 27 58.187 58.033 0.154 1
1 176 . 11 1 1 A 27 27 LEU CB C 27 42.220 41.903 0.317 1
1 180 . 11 1 1 A 27 27 LEU N N 27 118.897 121.202 -2.305 1
1 181 . 11 1 1 A 28 28 GLN H H 28 7.733 7.961 -0.228 1
1 182 . 11 1 1 A 28 28 GLN HA H 28 3.864 3.928 -0.064 1
1 189 . 11 1 1 A 28 28 GLN C C 28 177.492 178.892 -1.400 1
1 190 . 11 1 1 A 28 28 GLN CA C 28 59.212 58.659 0.553 1
1 191 . 11 1 1 A 28 28 GLN CB C 28 27.740 28.140 -0.400 1
1 193 . 11 1 1 A 28 28 GLN N N 28 119.947 117.837 2.110 1
1 195 . 11 1 1 A 29 29 LEU H H 29 8.336 8.456 -0.120 1
1 196 . 11 1 1 A 29 29 LEU HA H 29 3.665 3.689 -0.024 1
1 206 . 11 1 1 A 29 29 LEU C C 29 179.118 178.678 0.440 1
1 207 . 11 1 1 A 29 29 LEU CA C 29 58.068 57.792 0.276 1
1 208 . 11 1 1 A 29 29 LEU CB C 29 41.582 41.545 0.037 1
1 212 . 11 1 1 A 29 29 LEU N N 29 118.154 120.002 -1.848 1
1 213 . 11 1 1 A 30 30 MET H H 30 8.282 8.231 0.051 1
1 214 . 11 1 1 A 30 30 MET HA H 30 4.118 4.030 0.088 1
1 222 . 11 1 1 A 30 30 MET C C 30 179.070 178.794 0.276 1
1 223 . 11 1 1 A 30 30 MET CA C 30 58.583 58.756 -0.173 1
1 224 . 11 1 1 A 30 30 MET CB C 30 32.665 32.281 0.384 1
1 227 . 11 1 1 A 30 30 MET N N 30 117.314 118.501 -1.187 1
1 228 . 11 1 1 A 31 31 GLY H H 31 7.904 8.247 -0.343 1
1 229 . 11 1 1 A 31 31 GLY HA2 H 31 3.787 3.592 0.195 1
1 230 . 11 1 1 A 31 31 GLY HA3 H 31 3.631 3.615 0.016 1
1 231 . 11 1 1 A 31 31 GLY C C 31 176.618 175.569 1.049 1
1 232 . 11 1 1 A 31 31 GLY CA C 31 47.231 47.257 -0.026 1
1 233 . 11 1 1 A 31 31 GLY N N 31 107.053 107.294 -0.241 1
1 234 . 11 1 1 A 32 32 LEU H H 32 7.982 8.532 -0.550 1
1 235 . 11 1 1 A 32 32 LEU HA H 32 3.577 3.874 -0.297 1
1 245 . 11 1 1 A 32 32 LEU C C 32 177.564 179.128 -1.564 1
1 246 . 11 1 1 A 32 32 LEU CA C 32 58.318 57.585 0.733 1
1 247 . 11 1 1 A 32 32 LEU CB C 32 38.280 40.767 -2.487 1
1 251 . 11 1 1 A 32 32 LEU N N 32 125.323 122.491 2.832 1
1 252 . 11 1 1 A 33 33 GLU H H 33 8.054 8.129 -0.075 1
1 253 . 11 1 1 A 33 33 GLU HA H 33 4.283 4.145 0.138 1
1 258 . 11 1 1 A 33 33 GLU C C 33 180.041 179.370 0.671 1
1 259 . 11 1 1 A 33 33 GLU CA C 33 59.157 59.901 -0.744 1
1 260 . 11 1 1 A 33 33 GLU CB C 33 29.155 29.550 -0.395 1
1 262 . 11 1 1 A 33 33 GLU N N 33 118.448 117.590 0.858 1
1 263 . 11 1 1 A 34 34 LYS H H 34 8.229 7.779 0.450 1
1 264 . 11 1 1 A 34 34 LYS HA H 34 4.099 4.001 0.098 1
1 271 . 11 1 1 A 34 34 LYS C C 34 179.822 179.054 0.768 1
1 272 . 11 1 1 A 34 34 LYS CA C 34 58.789 59.642 -0.853 1
1 273 . 11 1 1 A 34 34 LYS CB C 34 32.073 32.523 -0.450 1
1 277 . 11 1 1 A 34 34 LYS N N 34 118.230 120.899 -2.669 1
1 278 . 11 1 1 A 35 35 ARG H H 35 7.560 7.973 -0.413 1
1 279 . 11 1 1 A 35 35 ARG HA H 35 4.190 4.074 0.116 1
1 286 . 11 1 1 A 35 35 ARG C C 35 178.001 178.718 -0.717 1
1 287 . 11 1 1 A 35 35 ARG CA C 35 57.095 59.377 -2.282 1
1 288 . 11 1 1 A 35 35 ARG CB C 35 28.882 30.178 -1.296 1
1 291 . 11 1 1 A 35 35 ARG N N 35 120.162 118.410 1.752 1
1 292 . 11 1 1 A 36 36 PHE H H 36 8.810 8.423 0.387 1
1 293 . 11 1 1 A 36 36 PHE HA H 36 4.227 3.815 0.412 1
1 301 . 11 1 1 A 36 36 PHE C C 36 176.520 176.953 -0.433 1
1 302 . 11 1 1 A 36 36 PHE CA C 36 60.886 61.602 -0.716 1
1 303 . 11 1 1 A 36 36 PHE CB C 36 39.333 38.808 0.525 1
1 309 . 11 1 1 A 36 36 PHE N N 36 122.860 120.534 2.326 1
1 310 . 11 1 1 A 37 37 GLU H H 37 7.772 8.561 -0.789 1
1 311 . 11 1 1 A 37 37 GLU HA H 37 3.701 3.958 -0.257 1
1 316 . 11 1 1 A 37 37 GLU C C 37 177.297 178.985 -1.688 1
1 317 . 11 1 1 A 37 37 GLU CA C 37 59.036 59.787 -0.751 1
1 318 . 11 1 1 A 37 37 GLU CB C 37 29.981 29.059 0.922 1
1 320 . 11 1 1 A 37 37 GLU N N 37 116.313 117.519 -1.206 1
1 321 . 11 1 1 A 38 38 LYS H H 38 7.005 7.808 -0.803 1
1 322 . 11 1 1 A 38 38 LYS HA H 38 4.280 4.144 0.136 1
1 329 . 11 1 1 A 38 38 LYS C C 38 177.079 176.993 0.086 1
1 330 . 11 1 1 A 38 38 LYS CA C 38 56.741 59.291 -2.550 1
1 331 . 11 1 1 A 38 38 LYS CB C 38 34.301 32.242 2.059 1
1 335 . 11 1 1 A 38 38 LYS N N 38 114.632 119.909 -5.277 1
1 336 . 11 1 1 A 39 39 GLN H H 39 8.641 8.093 0.548 1
1 337 . 11 1 1 A 39 39 GLN HA H 39 4.509 4.403 0.106 1
1 344 . 11 1 1 A 39 39 GLN C C 39 173.340 175.818 -2.478 1
1 345 . 11 1 1 A 39 39 GLN CA C 39 55.527 54.393 1.134 1
1 346 . 11 1 1 A 39 39 GLN CB C 39 31.827 28.711 3.116 1
1 348 . 11 1 1 A 39 39 GLN N N 39 120.830 118.033 2.797 1
1 350 . 11 1 1 A 40 40 LYS H H 40 8.474 8.176 0.298 1
1 351 . 11 1 1 A 40 40 LYS HA H 40 3.598 2.981 0.617 1
1 360 . 11 1 1 A 40 40 LYS C C 40 174.530 175.895 -1.365 1
1 361 . 11 1 1 A 40 40 LYS CA C 40 56.459 58.601 -2.142 1
1 362 . 11 1 1 A 40 40 LYS CB C 40 32.276 31.259 1.017 1
1 366 . 11 1 1 A 40 40 LYS N N 40 125.122 125.635 -0.513 1
1 367 . 11 1 1 A 41 41 TYR H H 41 7.513 7.439 0.074 1
1 368 . 11 1 1 A 41 41 TYR HA H 41 4.537 5.187 -0.650 1
1 375 . 11 1 1 A 41 41 TYR C C 41 174.700 175.283 -0.583 1
1 376 . 11 1 1 A 41 41 TYR CA C 41 56.743 56.676 0.067 1
1 377 . 11 1 1 A 41 41 TYR CB C 41 41.274 41.097 0.177 1
1 382 . 11 1 1 A 41 41 TYR N N 41 113.703 116.277 -2.574 1
1 383 . 11 1 1 A 42 42 LEU H H 42 8.544 8.779 -0.235 1
1 384 . 11 1 1 A 42 42 LEU HA H 42 4.610 4.461 0.149 1
1 394 . 11 1 1 A 42 42 LEU C C 42 177.273 176.251 1.022 1
1 395 . 11 1 1 A 42 42 LEU CA C 42 53.408 54.556 -1.148 1
1 396 . 11 1 1 A 42 42 LEU CB C 42 44.040 42.300 1.740 1
1 400 . 11 1 1 A 42 42 LEU N N 42 123.003 126.067 -3.064 1
1 401 . 11 1 1 A 43 43 SER H H 43 8.651 8.937 -0.286 1
1 402 . 11 1 1 A 43 43 SER HA H 43 4.621 4.681 -0.060 1
1 405 . 11 1 1 A 43 43 SER C C 43 174.530 175.629 -1.099 1
1 406 . 11 1 1 A 43 43 SER CA C 43 57.053 57.197 -0.144 1
1 407 . 11 1 1 A 43 43 SER CB C 43 64.786 65.281 -0.495 1
1 408 . 11 1 1 A 43 43 SER N N 43 118.850 116.816 2.034 1
1 409 . 11 1 1 A 44 44 THR H H 44 9.159 9.193 -0.034 1
1 410 . 11 1 1 A 44 44 THR HA H 44 4.428 4.018 0.410 1
1 415 . 11 1 1 A 44 44 THR C C 44 175.428 173.646 1.782 1
1 416 . 11 1 1 A 44 44 THR CA C 44 66.563 67.645 -1.082 1
1 417 . 11 1 1 A 44 44 THR CB C 44 69.210 67.789 1.421 1
1 419 . 11 1 1 A 44 44 THR N N 44 117.903 117.835 0.068 1
1 420 . 11 1 1 A 45 45 PRO HA H 45 4.188 4.299 -0.111 1
1 427 . 11 1 1 A 45 45 PRO C C 45 179.312 178.863 0.449 1
1 428 . 11 1 1 A 45 45 PRO CA C 45 66.163 66.362 -0.199 1
1 429 . 11 1 1 A 45 45 PRO CB C 45 30.975 30.558 0.417 1
1 432 . 11 1 1 A 46 46 ASP H H 46 7.289 8.340 -1.051 1
1 433 . 11 1 1 A 46 46 ASP HA H 46 4.387 4.316 0.071 1
1 436 . 11 1 1 A 46 46 ASP C C 46 178.390 178.723 -0.333 1
1 437 . 11 1 1 A 46 46 ASP CA C 46 56.974 57.533 -0.559 1
1 438 . 11 1 1 A 46 46 ASP CB C 46 41.498 40.279 1.219 1
1 439 . 11 1 1 A 46 46 ASP N N 46 117.060 117.428 -0.368 1
1 440 . 11 1 1 A 47 47 ARG H H 47 8.493 8.050 0.443 1
1 441 . 11 1 1 A 47 47 ARG HA H 47 3.754 3.990 -0.236 1
1 448 . 11 1 1 A 47 47 ARG C C 47 177.880 178.645 -0.765 1
1 449 . 11 1 1 A 47 47 ARG CA C 47 60.123 58.759 1.364 1
1 450 . 11 1 1 A 47 47 ARG CB C 47 30.355 30.027 0.328 1
1 453 . 11 1 1 A 47 47 ARG N N 47 122.143 120.092 2.051 1
1 454 . 11 1 1 A 48 48 ILE H H 48 8.219 7.781 0.438 1
1 455 . 11 1 1 A 48 48 ILE HA H 48 3.475 3.578 -0.103 1
1 465 . 11 1 1 A 48 48 ILE C C 48 178.026 177.827 0.199 1
1 466 . 11 1 1 A 48 48 ILE CA C 48 66.105 65.390 0.715 1
1 467 . 11 1 1 A 48 48 ILE CB C 48 38.440 38.153 0.287 1
1 471 . 11 1 1 A 48 48 ILE N N 48 119.888 120.166 -0.278 1
1 472 . 11 1 1 A 49 49 ASP H H 49 7.775 8.075 -0.300 1
1 473 . 11 1 1 A 49 49 ASP HA H 49 4.406 4.288 0.118 1
1 476 . 11 1 1 A 49 49 ASP C C 49 178.900 178.127 0.773 1
1 477 . 11 1 1 A 49 49 ASP CA C 49 57.380 57.428 -0.048 1
1 478 . 11 1 1 A 49 49 ASP CB C 49 41.523 41.228 0.295 1
1 479 . 11 1 1 A 49 49 ASP N N 49 119.245 120.402 -1.157 1
1 480 . 11 1 1 A 50 50 LEU H H 50 8.344 8.003 0.341 1
1 481 . 11 1 1 A 50 50 LEU HA H 50 4.090 4.028 0.062 1
1 491 . 11 1 1 A 50 50 LEU C C 50 178.705 178.257 0.448 1
1 492 . 11 1 1 A 50 50 LEU CA C 50 57.651 58.237 -0.586 1
1 493 . 11 1 1 A 50 50 LEU CB C 50 42.526 42.003 0.523 1
1 497 . 11 1 1 A 50 50 LEU N N 50 121.649 120.356 1.293 1
1 498 . 11 1 1 A 51 51 ALA H H 51 8.513 8.394 0.119 1
1 499 . 11 1 1 A 51 51 ALA HA H 51 3.611 3.969 -0.358 1
1 503 . 11 1 1 A 51 51 ALA C C 51 179.749 179.820 -0.071 1
1 504 . 11 1 1 A 51 51 ALA CA C 51 56.139 55.077 1.062 1
1 505 . 11 1 1 A 51 51 ALA CB C 51 17.519 18.380 -0.861 1
1 506 . 11 1 1 A 51 51 ALA N N 51 120.902 120.220 0.682 1
1 507 . 11 1 1 A 52 52 GLU H H 52 8.285 7.876 0.409 1
1 508 . 11 1 1 A 52 52 GLU HA H 52 4.097 4.124 -0.027 1
1 513 . 11 1 1 A 52 52 GLU C C 52 180.114 179.431 0.683 1
1 514 . 11 1 1 A 52 52 GLU CA C 52 59.307 59.192 0.115 1
1 515 . 11 1 1 A 52 52 GLU CB C 52 29.408 29.036 0.372 1
1 517 . 11 1 1 A 52 52 GLU N N 52 116.933 118.755 -1.822 1
1 518 . 11 1 1 A 53 53 SER H H 53 8.229 8.391 -0.162 1
1 519 . 11 1 1 A 53 53 SER HA H 53 4.251 4.129 0.122 1
1 522 . 11 1 1 A 53 53 SER C C 53 176.059 175.779 0.280 1
1 523 . 11 1 1 A 53 53 SER CA C 53 61.347 62.419 -1.072 1
1 524 . 11 1 1 A 53 53 SER CB C 53 63.235 63.109 0.126 1
1 525 . 11 1 1 A 53 53 SER N N 53 114.615 118.002 -3.387 1
1 526 . 11 1 1 A 54 54 LEU H H 54 7.675 7.527 0.148 1
1 527 . 11 1 1 A 54 54 LEU HA H 54 4.513 4.318 0.195 1
1 537 . 11 1 1 A 54 54 LEU C C 54 177.516 177.255 0.261 1
1 538 . 11 1 1 A 54 54 LEU CA C 54 54.422 55.334 -0.912 1
1 539 . 11 1 1 A 54 54 LEU CB C 54 43.880 42.711 1.169 1
1 543 . 11 1 1 A 54 54 LEU N N 54 117.401 117.588 -0.187 1
1 544 . 11 1 1 A 55 55 GLY H H 55 7.941 8.172 -0.231 1
1 545 . 11 1 1 A 55 55 GLY HA2 H 55 3.982 3.924 0.058 1
1 546 . 11 1 1 A 55 55 GLY HA3 H 55 4.026 3.924 0.102 1
1 547 . 11 1 1 A 55 55 GLY C C 55 174.360 174.431 -0.071 1
1 548 . 11 1 1 A 55 55 GLY CA C 55 46.728 46.198 0.530 1
1 549 . 11 1 1 A 55 55 GLY N N 55 111.061 106.573 4.488 1
1 550 . 11 1 1 A 56 56 LEU H H 56 8.190 8.184 0.006 1
1 551 . 11 1 1 A 56 56 LEU HA H 56 4.803 4.775 0.028 1
1 561 . 11 1 1 A 56 56 LEU C C 56 175.914 175.740 0.174 1
1 562 . 11 1 1 A 56 56 LEU CA C 56 52.510 53.575 -1.065 1
1 563 . 11 1 1 A 56 56 LEU CB C 56 47.484 42.817 4.667 1
1 567 . 11 1 1 A 56 56 LEU N N 56 119.967 121.179 -1.212 1
1 568 . 11 1 1 A 57 57 SER H H 57 9.037 8.978 0.059 1
1 569 . 11 1 1 A 57 57 SER HA H 57 4.423 4.714 -0.291 1
1 572 . 11 1 1 A 57 57 SER C C 57 176.618 175.340 1.278 1
1 573 . 11 1 1 A 57 57 SER CA C 57 56.189 58.257 -2.068 1
1 574 . 11 1 1 A 57 57 SER CB C 57 65.579 64.031 1.548 1
1 575 . 11 1 1 A 57 57 SER N N 57 115.098 117.297 -2.199 1
1 576 . 11 1 1 A 58 58 GLN HA H 58 3.741 3.957 -0.216 1
1 583 . 11 1 1 A 58 58 GLN C C 58 177.904 178.004 -0.100 1
1 584 . 11 1 1 A 58 58 GLN CA C 58 60.504 59.163 1.341 1
1 585 . 11 1 1 A 58 58 GLN CB C 58 28.365 28.257 0.108 1
1 588 . 11 1 1 A 59 59 LEU H H 59 8.207 8.092 0.115 1
1 589 . 11 1 1 A 59 59 LEU HA H 59 4.192 4.072 0.120 1
1 599 . 11 1 1 A 59 59 LEU C C 59 179.871 178.886 0.985 1
1 600 . 11 1 1 A 59 59 LEU CA C 59 57.878 57.951 -0.073 1
1 601 . 11 1 1 A 59 59 LEU CB C 59 41.747 41.919 -0.172 1
1 605 . 11 1 1 A 59 59 LEU N N 59 120.246 121.185 -0.939 1
1 606 . 11 1 1 A 60 60 GLN H H 60 8.125 8.662 -0.537 1
1 607 . 11 1 1 A 60 60 GLN HA H 60 4.214 4.184 0.030 1
1 614 . 11 1 1 A 60 60 GLN C C 60 179.434 178.602 0.832 1
1 615 . 11 1 1 A 60 60 GLN CA C 60 59.530 59.138 0.392 1
1 616 . 11 1 1 A 60 60 GLN CB C 60 29.651 28.519 1.132 1
1 618 . 11 1 1 A 60 60 GLN N N 60 120.637 117.871 2.766 1
1 620 . 11 1 1 A 61 61 VAL H H 61 7.717 8.176 -0.459 1
1 621 . 11 1 1 A 61 61 VAL HA H 61 3.673 3.802 -0.129 1
1 629 . 11 1 1 A 61 61 VAL C C 61 176.982 177.888 -0.906 1
1 630 . 11 1 1 A 61 61 VAL CA C 61 67.670 66.898 0.772 1
1 631 . 11 1 1 A 61 61 VAL CB C 61 31.899 31.509 0.390 1
1 634 . 11 1 1 A 61 61 VAL N N 61 118.389 120.326 -1.937 1
1 635 . 11 1 1 A 62 62 LYS H H 62 8.578 7.809 0.769 1
1 636 . 11 1 1 A 62 62 LYS HA H 62 4.423 4.074 0.349 1
1 644 . 11 1 1 A 62 62 LYS C C 62 179.749 179.048 0.701 1
1 645 . 11 1 1 A 62 62 LYS CA C 62 59.821 59.888 -0.067 1
1 646 . 11 1 1 A 62 62 LYS CB C 62 33.793 32.501 1.292 1
1 650 . 11 1 1 A 62 62 LYS N N 62 120.540 120.477 0.063 1
1 651 . 11 1 1 A 63 63 THR H H 63 8.722 8.470 0.252 1
1 652 . 11 1 1 A 63 63 THR HA H 63 4.007 3.989 0.018 1
1 657 . 11 1 1 A 63 63 THR C C 63 176.059 176.731 -0.672 1
1 658 . 11 1 1 A 63 63 THR CA C 63 66.527 67.031 -0.504 1
1 659 . 11 1 1 A 63 63 THR CB C 63 69.236 68.736 0.500 1
1 661 . 11 1 1 A 63 63 THR N N 63 115.962 114.579 1.383 1
1 662 . 11 1 1 A 64 64 TRP H H 64 8.506 8.778 -0.272 1
1 663 . 11 1 1 A 64 64 TRP HA H 64 4.064 4.240 -0.176 1
1 672 . 11 1 1 A 64 64 TRP C C 64 179.264 178.084 1.180 1
1 673 . 11 1 1 A 64 64 TRP CA C 64 63.070 61.191 1.879 1
1 674 . 11 1 1 A 64 64 TRP CB C 64 29.048 29.727 -0.679 1
1 680 . 11 1 1 A 64 64 TRP N N 64 123.609 121.118 2.491 1
1 682 . 11 1 1 A 65 65 TYR H H 65 9.152 8.914 0.238 1
1 683 . 11 1 1 A 65 65 TYR HA H 65 3.660 4.440 -0.780 1
1 690 . 11 1 1 A 65 65 TYR C C 65 178.535 178.296 0.239 1
1 691 . 11 1 1 A 65 65 TYR CA C 65 63.749 61.931 1.818 1
1 692 . 11 1 1 A 65 65 TYR CB C 65 39.082 38.609 0.473 1
1 697 . 11 1 1 A 65 65 TYR N N 65 121.400 118.725 2.675 1
1 698 . 11 1 1 A 66 66 GLN H H 66 7.981 8.238 -0.257 1
1 699 . 11 1 1 A 66 66 GLN HA H 66 4.036 4.177 -0.141 1
1 706 . 11 1 1 A 66 66 GLN C C 66 179.045 178.534 0.511 1
1 707 . 11 1 1 A 66 66 GLN CA C 66 59.255 59.201 0.054 1
1 708 . 11 1 1 A 66 66 GLN CB C 66 28.207 28.849 -0.642 1
1 710 . 11 1 1 A 66 66 GLN N N 66 116.821 119.532 -2.711 1
1 712 . 11 1 1 A 67 67 ASN H H 67 7.862 8.024 -0.162 1
1 713 . 11 1 1 A 67 67 ASN HA H 67 4.367 4.437 -0.070 1
1 718 . 11 1 1 A 67 67 ASN C C 67 177.759 178.078 -0.319 1
1 719 . 11 1 1 A 67 67 ASN CA C 67 55.852 56.432 -0.580 1
1 720 . 11 1 1 A 67 67 ASN CB C 67 38.119 37.789 0.330 1
1 721 . 11 1 1 A 67 67 ASN N N 67 118.257 117.436 0.821 1
1 723 . 11 1 1 A 68 68 ARG H H 68 8.533 7.923 0.610 1
1 724 . 11 1 1 A 68 68 ARG HA H 68 3.430 3.546 -0.116 1
1 732 . 11 1 1 A 68 68 ARG C C 68 179.992 178.944 1.048 1
1 733 . 11 1 1 A 68 68 ARG CA C 68 56.391 59.648 -3.257 1
1 734 . 11 1 1 A 68 68 ARG CB C 68 27.959 28.945 -0.986 1
1 737 . 11 1 1 A 68 68 ARG N N 68 123.922 118.724 5.198 1
1 739 . 11 1 1 A 69 69 ARG H H 69 8.226 8.331 -0.105 1
1 740 . 11 1 1 A 69 69 ARG HA H 69 4.357 4.300 0.057 1
1 747 . 11 1 1 A 69 69 ARG C C 69 178.535 179.263 -0.728 1
1 748 . 11 1 1 A 69 69 ARG CA C 69 60.681 59.464 1.217 1
1 749 . 11 1 1 A 69 69 ARG CB C 69 31.938 30.270 1.668 1
1 752 . 11 1 1 A 69 69 ARG N N 69 118.839 119.305 -0.466 1
1 753 . 11 1 1 A 70 70 MET H H 70 7.480 7.868 -0.388 1
1 754 . 11 1 1 A 70 70 MET HA H 70 4.287 4.091 0.196 1
1 762 . 11 1 1 A 70 70 MET C C 70 178.098 178.624 -0.526 1
1 763 . 11 1 1 A 70 70 MET CA C 70 58.381 58.801 -0.420 1
1 764 . 11 1 1 A 70 70 MET CB C 70 32.011 32.205 -0.194 1
1 767 . 11 1 1 A 70 70 MET N N 70 118.164 119.809 -1.645 1
1 768 . 11 1 1 A 71 71 LYS H H 71 7.298 7.723 -0.425 1
1 769 . 11 1 1 A 71 71 LYS HA H 71 4.086 3.939 0.147 1
1 778 . 11 1 1 A 71 71 LYS C C 71 177.831 178.276 -0.445 1
1 779 . 11 1 1 A 71 71 LYS CA C 71 58.324 59.233 -0.909 1
1 780 . 11 1 1 A 71 71 LYS CB C 71 32.732 32.183 0.549 1
1 784 . 11 1 1 A 71 71 LYS N N 71 118.798 119.547 -0.749 1
1 785 . 11 1 1 A 72 72 TRP H H 72 7.952 8.598 -0.646 1
1 786 . 11 1 1 A 72 72 TRP HA H 72 4.721 4.134 0.587 1
1 795 . 11 1 1 A 72 72 TRP C C 72 177.152 177.072 0.080 1
1 796 . 11 1 1 A 72 72 TRP CA C 72 58.506 60.581 -2.075 1
1 797 . 11 1 1 A 72 72 TRP CB C 72 29.602 29.755 -0.153 1
1 803 . 11 1 1 A 72 72 TRP N N 72 121.455 122.330 -0.875 1
1 805 . 11 1 1 A 73 73 LYS H H 73 8.241 8.191 0.050 1
1 806 . 11 1 1 A 73 73 LYS HA H 73 3.781 3.360 0.421 1
1 815 . 11 1 1 A 73 73 LYS C C 73 176.957 175.927 1.030 1
1 816 . 11 1 1 A 73 73 LYS CA C 73 57.074 56.276 0.798 1
1 817 . 11 1 1 A 73 73 LYS CB C 73 32.567 32.722 -0.155 1
1 821 . 11 1 1 A 73 73 LYS N N 73 120.065 119.002 1.063 1
1 822 . 11 1 1 A 74 74 LYS H H 74 7.705 8.229 -0.524 1
1 823 . 11 1 1 A 74 74 LYS HA H 74 4.154 4.387 -0.233 1
1 830 . 11 1 1 A 74 74 LYS C C 74 176.836 177.840 -1.004 1
1 831 . 11 1 1 A 74 74 LYS CA C 74 57.028 55.350 1.678 1
1 832 . 11 1 1 A 74 74 LYS CB C 74 32.402 31.922 0.480 1
1 836 . 11 1 1 A 74 74 LYS N N 74 120.036 124.941 -4.905 1
1 837 . 11 1 1 A 75 75 SER H H 75 7.986 8.648 -0.662 1
1 838 . 11 1 1 A 75 75 SER HA H 75 4.470 4.107 0.363 1
1 841 . 11 1 1 A 75 75 SER C C 75 174.530 174.925 -0.395 1
1 842 . 11 1 1 A 75 75 SER CA C 75 58.786 60.501 -1.715 1
1 843 . 11 1 1 A 75 75 SER CB C 75 63.975 63.193 0.782 1
1 844 . 11 1 1 A 75 75 SER N N 75 115.488 120.186 -4.698 1
1 845 . 11 1 1 A 76 76 GLY H H 76 8.040 8.023 0.017 1
1 846 . 11 1 1 A 76 76 GLY HA2 H 76 4.076 3.859 0.217 1
1 847 . 11 1 1 A 76 76 GLY HA3 H 76 4.099 3.866 0.233 1
1 848 . 11 1 1 A 76 76 GLY C C 76 171.835 174.661 -2.826 1
1 849 . 11 1 1 A 76 76 GLY CA C 76 44.789 46.898 -2.109 1
1 850 . 11 1 1 A 76 76 GLY N N 76 110.454 110.058 0.396 1
1 851 . 11 1 1 A 77 77 PRO HA H 77 4.456 4.669 -0.213 1
1 856 . 11 1 1 A 77 77 PRO CA C 77 63.323 62.563 0.760 1
1 857 . 11 1 1 A 77 77 PRO CB C 77 32.209 30.066 2.143 1
1 860 . 11 1 1 A 79 79 SER HA H 79 4.506 4.611 -0.105 1
1 863 . 11 1 1 A 79 79 SER C C 79 173.947 175.060 -1.113 1
1 864 . 11 1 1 A 79 79 SER CA C 79 58.433 58.002 0.431 1
1 865 . 11 1 1 A 79 79 SER CB C 79 63.960 64.045 -0.085 1
1 1 . 12 1 1 A 7 7 GLY HA2 H 7 4.014 4.220 -0.206 1
1 2 . 12 1 1 A 7 7 GLY HA3 H 7 4.014 4.221 -0.207 1
1 3 . 12 1 1 A 7 7 GLY C C 7 174.578 172.942 1.636 1
1 4 . 12 1 1 A 7 7 GLY CA C 7 45.445 45.694 -0.249 1
1 5 . 12 1 1 A 8 8 GLY H H 8 8.219 8.349 -0.130 1
1 6 . 12 1 1 A 8 8 GLY HA2 H 8 3.959 4.087 -0.128 1
1 7 . 12 1 1 A 8 8 GLY HA3 H 8 3.959 4.089 -0.130 1
1 8 . 12 1 1 A 8 8 GLY C C 8 173.898 172.106 1.792 1
1 9 . 12 1 1 A 8 8 GLY CA C 8 44.923 44.465 0.458 1
1 10 . 12 1 1 A 8 8 GLY N N 8 108.655 108.328 0.327 1
1 11 . 12 1 1 A 9 9 GLU H H 9 8.378 8.481 -0.103 1
1 12 . 12 1 1 A 9 9 GLU HA H 9 4.586 4.883 -0.297 1
1 16 . 12 1 1 A 9 9 GLU C C 9 175.015 174.467 0.548 1
1 17 . 12 1 1 A 9 9 GLU CA C 9 54.661 53.532 1.129 1
1 18 . 12 1 1 A 9 9 GLU CB C 9 29.534 33.728 -4.194 1
1 20 . 12 1 1 A 9 9 GLU N N 9 121.838 121.556 0.282 1
1 21 . 12 1 1 A 10 10 PRO HA H 10 4.428 4.453 -0.025 1
1 28 . 12 1 1 A 10 10 PRO C C 10 177.856 176.033 1.823 1
1 29 . 12 1 1 A 10 10 PRO CA C 10 63.767 62.835 0.932 1
1 30 . 12 1 1 A 10 10 PRO CB C 10 32.080 33.114 -1.034 1
1 33 . 12 1 1 A 11 11 GLY H H 11 8.556 8.096 0.460 1
1 34 . 12 1 1 A 11 11 GLY HA2 H 11 3.997 4.100 -0.103 1
1 35 . 12 1 1 A 11 11 GLY HA3 H 11 3.997 4.104 -0.107 1
1 36 . 12 1 1 A 11 11 GLY C C 11 174.724 172.164 2.560 1
1 37 . 12 1 1 A 11 11 GLY CA C 11 45.529 45.503 0.026 1
1 38 . 12 1 1 A 11 11 GLY N N 11 108.931 106.899 2.032 1
1 39 . 12 1 1 A 12 12 THR H H 12 7.973 8.549 -0.576 1
1 40 . 12 1 1 A 12 12 THR HA H 12 4.306 4.641 -0.335 1
1 45 . 12 1 1 A 12 12 THR C C 12 174.942 173.698 1.244 1
1 46 . 12 1 1 A 12 12 THR CA C 12 62.240 61.836 0.404 1
1 47 . 12 1 1 A 12 12 THR CB C 12 69.882 69.915 -0.033 1
1 49 . 12 1 1 A 12 12 THR N N 12 113.454 117.264 -3.810 1
1 50 . 12 1 1 A 13 13 LYS H H 13 8.313 8.844 -0.531 1
1 51 . 12 1 1 A 13 13 LYS HA H 13 4.281 5.403 -1.122 1
1 58 . 12 1 1 A 13 13 LYS C C 13 176.520 174.789 1.731 1
1 59 . 12 1 1 A 13 13 LYS CA C 13 56.565 54.080 2.485 1
1 60 . 12 1 1 A 13 13 LYS CB C 13 32.590 37.047 -4.457 1
1 64 . 12 1 1 A 13 13 LYS N N 13 123.479 121.602 1.877 1
1 65 . 12 1 1 A 14 14 ALA H H 14 8.192 8.566 -0.374 1
1 66 . 12 1 1 A 14 14 ALA HA H 14 4.272 4.870 -0.598 1
1 70 . 12 1 1 A 14 14 ALA C C 14 177.807 174.835 2.972 1
1 71 . 12 1 1 A 14 14 ALA CA C 14 52.581 51.533 1.048 1
1 72 . 12 1 1 A 14 14 ALA CB C 14 19.258 23.037 -3.779 1
1 73 . 12 1 1 A 14 14 ALA N N 14 124.692 120.616 4.076 1
1 74 . 12 1 1 A 15 15 LYS H H 15 8.264 8.647 -0.383 1
1 75 . 12 1 1 A 15 15 LYS HA H 15 4.296 4.651 -0.355 1
1 81 . 12 1 1 A 15 15 LYS C C 15 176.812 175.170 1.642 1
1 82 . 12 1 1 A 15 15 LYS CA C 15 56.403 54.907 1.496 1
1 83 . 12 1 1 A 15 15 LYS CB C 15 32.979 32.903 0.076 1
1 87 . 12 1 1 A 15 15 LYS N N 15 120.979 122.640 -1.661 1
1 88 . 12 1 1 A 16 16 LYS H H 16 8.330 8.638 -0.308 1
1 89 . 12 1 1 A 16 16 LYS HA H 16 4.289 4.612 -0.323 1
1 93 . 12 1 1 A 16 16 LYS C C 16 177.103 176.952 0.151 1
1 94 . 12 1 1 A 16 16 LYS CB C 16 33.072 32.691 0.381 1
1 98 . 12 1 1 A 16 16 LYS N N 16 122.581 125.112 -2.531 1
1 99 . 12 1 1 A 22 22 THR HA H 22 4.294 4.367 -0.073 1
1 104 . 12 1 1 A 22 22 THR C C 22 174.020 174.257 -0.237 1
1 105 . 12 1 1 A 22 22 THR CA C 22 61.928 61.236 0.692 1
1 106 . 12 1 1 A 22 22 THR CB C 22 69.730 69.681 0.049 1
1 108 . 12 1 1 A 23 23 VAL H H 23 8.087 8.605 -0.518 1
1 109 . 12 1 1 A 23 23 VAL HA H 23 4.112 4.514 -0.402 1
1 117 . 12 1 1 A 23 23 VAL C C 23 175.646 175.143 0.503 1
1 118 . 12 1 1 A 23 23 VAL CA C 23 62.011 61.129 0.882 1
1 119 . 12 1 1 A 23 23 VAL CB C 23 33.060 35.342 -2.282 1
1 122 . 12 1 1 A 23 23 VAL N N 23 123.252 124.507 -1.255 1
1 123 . 12 1 1 A 24 24 PHE H H 24 8.220 9.078 -0.858 1
1 124 . 12 1 1 A 24 24 PHE HA H 24 4.976 4.769 0.207 1
1 132 . 12 1 1 A 24 24 PHE C C 24 176.739 175.555 1.184 1
1 133 . 12 1 1 A 24 24 PHE CA C 24 56.389 57.896 -1.507 1
1 134 . 12 1 1 A 24 24 PHE CB C 24 40.492 39.990 0.502 1
1 140 . 12 1 1 A 24 24 PHE N N 24 123.332 126.400 -3.068 1
1 141 . 12 1 1 A 25 25 THR H H 25 9.003 8.750 0.253 1
1 142 . 12 1 1 A 25 25 THR HA H 25 4.470 4.914 -0.444 1
1 147 . 12 1 1 A 25 25 THR C C 25 175.209 176.101 -0.892 1
1 148 . 12 1 1 A 25 25 THR CA C 25 60.598 59.563 1.035 1
1 149 . 12 1 1 A 25 25 THR CB C 25 70.801 71.330 -0.529 1
1 151 . 12 1 1 A 25 25 THR N N 25 113.078 112.746 0.332 1
1 152 . 12 1 1 A 26 26 GLU H H 26 8.991 9.021 -0.030 1
1 153 . 12 1 1 A 26 26 GLU HA H 26 4.036 3.994 0.042 1
1 158 . 12 1 1 A 26 26 GLU C C 26 179.118 178.759 0.359 1
1 159 . 12 1 1 A 26 26 GLU CA C 26 60.222 59.920 0.302 1
1 160 . 12 1 1 A 26 26 GLU CB C 26 29.271 29.361 -0.090 1
1 162 . 12 1 1 A 26 26 GLU N N 26 120.978 122.417 -1.439 1
1 163 . 12 1 1 A 27 27 LEU H H 27 8.120 8.097 0.023 1
1 164 . 12 1 1 A 27 27 LEU HA H 27 4.117 4.015 0.102 1
1 174 . 12 1 1 A 27 27 LEU C C 27 180.623 178.574 2.049 1
1 175 . 12 1 1 A 27 27 LEU CA C 27 58.187 58.280 -0.093 1
1 176 . 12 1 1 A 27 27 LEU CB C 27 42.220 41.879 0.341 1
1 180 . 12 1 1 A 27 27 LEU N N 27 118.897 121.105 -2.208 1
1 181 . 12 1 1 A 28 28 GLN H H 28 7.733 8.035 -0.302 1
1 182 . 12 1 1 A 28 28 GLN HA H 28 3.864 3.957 -0.093 1
1 189 . 12 1 1 A 28 28 GLN C C 28 177.492 178.905 -1.413 1
1 190 . 12 1 1 A 28 28 GLN CA C 28 59.212 58.761 0.451 1
1 191 . 12 1 1 A 28 28 GLN CB C 28 27.740 28.173 -0.433 1
1 193 . 12 1 1 A 28 28 GLN N N 28 119.947 117.729 2.218 1
1 195 . 12 1 1 A 29 29 LEU H H 29 8.336 8.345 -0.009 1
1 196 . 12 1 1 A 29 29 LEU HA H 29 3.665 3.685 -0.020 1
1 206 . 12 1 1 A 29 29 LEU C C 29 179.118 178.893 0.225 1
1 207 . 12 1 1 A 29 29 LEU CA C 29 58.068 57.726 0.342 1
1 208 . 12 1 1 A 29 29 LEU CB C 29 41.582 41.267 0.315 1
1 212 . 12 1 1 A 29 29 LEU N N 29 118.154 119.797 -1.643 1
1 213 . 12 1 1 A 30 30 MET H H 30 8.282 8.286 -0.004 1
1 214 . 12 1 1 A 30 30 MET HA H 30 4.118 4.026 0.092 1
1 222 . 12 1 1 A 30 30 MET C C 30 179.070 178.811 0.259 1
1 223 . 12 1 1 A 30 30 MET CA C 30 58.583 58.672 -0.089 1
1 224 . 12 1 1 A 30 30 MET CB C 30 32.665 32.277 0.388 1
1 227 . 12 1 1 A 30 30 MET N N 30 117.314 118.633 -1.319 1
1 228 . 12 1 1 A 31 31 GLY H H 31 7.904 8.141 -0.237 1
1 229 . 12 1 1 A 31 31 GLY HA2 H 31 3.787 3.613 0.174 1
1 230 . 12 1 1 A 31 31 GLY HA3 H 31 3.631 3.633 -0.002 1
1 231 . 12 1 1 A 31 31 GLY C C 31 176.618 175.643 0.975 1
1 232 . 12 1 1 A 31 31 GLY CA C 31 47.231 47.405 -0.174 1
1 233 . 12 1 1 A 31 31 GLY N N 31 107.053 107.211 -0.158 1
1 234 . 12 1 1 A 32 32 LEU H H 32 7.982 8.220 -0.238 1
1 235 . 12 1 1 A 32 32 LEU HA H 32 3.577 3.914 -0.337 1
1 245 . 12 1 1 A 32 32 LEU C C 32 177.564 179.477 -1.913 1
1 246 . 12 1 1 A 32 32 LEU CA C 32 58.318 57.605 0.713 1
1 247 . 12 1 1 A 32 32 LEU CB C 32 38.280 40.883 -2.603 1
1 251 . 12 1 1 A 32 32 LEU N N 32 125.323 122.471 2.852 1
1 252 . 12 1 1 A 33 33 GLU H H 33 8.054 8.111 -0.057 1
1 253 . 12 1 1 A 33 33 GLU HA H 33 4.283 4.126 0.157 1
1 258 . 12 1 1 A 33 33 GLU C C 33 180.041 179.175 0.866 1
1 259 . 12 1 1 A 33 33 GLU CA C 33 59.157 59.729 -0.572 1
1 260 . 12 1 1 A 33 33 GLU CB C 33 29.155 29.723 -0.568 1
1 262 . 12 1 1 A 33 33 GLU N N 33 118.448 117.586 0.862 1
1 263 . 12 1 1 A 34 34 LYS H H 34 8.229 7.672 0.557 1
1 264 . 12 1 1 A 34 34 LYS HA H 34 4.099 4.037 0.062 1
1 271 . 12 1 1 A 34 34 LYS C C 34 179.822 179.060 0.762 1
1 272 . 12 1 1 A 34 34 LYS CA C 34 58.789 59.732 -0.943 1
1 273 . 12 1 1 A 34 34 LYS CB C 34 32.073 32.554 -0.481 1
1 277 . 12 1 1 A 34 34 LYS N N 34 118.230 121.170 -2.940 1
1 278 . 12 1 1 A 35 35 ARG H H 35 7.560 8.051 -0.491 1
1 279 . 12 1 1 A 35 35 ARG HA H 35 4.190 4.083 0.107 1
1 286 . 12 1 1 A 35 35 ARG C C 35 178.001 179.064 -1.063 1
1 287 . 12 1 1 A 35 35 ARG CA C 35 57.095 59.854 -2.759 1
1 288 . 12 1 1 A 35 35 ARG CB C 35 28.882 30.159 -1.277 1
1 291 . 12 1 1 A 35 35 ARG N N 35 120.162 118.712 1.450 1
1 292 . 12 1 1 A 36 36 PHE H H 36 8.810 8.574 0.236 1
1 293 . 12 1 1 A 36 36 PHE HA H 36 4.227 4.027 0.200 1
1 301 . 12 1 1 A 36 36 PHE C C 36 176.520 177.540 -1.020 1
1 302 . 12 1 1 A 36 36 PHE CA C 36 60.886 60.942 -0.056 1
1 303 . 12 1 1 A 36 36 PHE CB C 36 39.333 38.659 0.674 1
1 309 . 12 1 1 A 36 36 PHE N N 36 122.860 120.451 2.409 1
1 310 . 12 1 1 A 37 37 GLU H H 37 7.772 8.644 -0.872 1
1 311 . 12 1 1 A 37 37 GLU HA H 37 3.701 3.949 -0.248 1
1 316 . 12 1 1 A 37 37 GLU C C 37 177.297 179.093 -1.796 1
1 317 . 12 1 1 A 37 37 GLU CA C 37 59.036 59.749 -0.713 1
1 318 . 12 1 1 A 37 37 GLU CB C 37 29.981 29.003 0.978 1
1 320 . 12 1 1 A 37 37 GLU N N 37 116.313 117.577 -1.264 1
1 321 . 12 1 1 A 38 38 LYS H H 38 7.005 7.890 -0.885 1
1 322 . 12 1 1 A 38 38 LYS HA H 38 4.280 4.134 0.146 1
1 329 . 12 1 1 A 38 38 LYS C C 38 177.079 177.008 0.071 1
1 330 . 12 1 1 A 38 38 LYS CA C 38 56.741 59.332 -2.591 1
1 331 . 12 1 1 A 38 38 LYS CB C 38 34.301 32.309 1.992 1
1 335 . 12 1 1 A 38 38 LYS N N 38 114.632 119.803 -5.171 1
1 336 . 12 1 1 A 39 39 GLN H H 39 8.641 8.247 0.394 1
1 337 . 12 1 1 A 39 39 GLN HA H 39 4.509 4.446 0.063 1
1 344 . 12 1 1 A 39 39 GLN C C 39 173.340 175.830 -2.490 1
1 345 . 12 1 1 A 39 39 GLN CA C 39 55.527 54.438 1.089 1
1 346 . 12 1 1 A 39 39 GLN CB C 39 31.827 28.772 3.055 1
1 348 . 12 1 1 A 39 39 GLN N N 39 120.830 118.275 2.555 1
1 350 . 12 1 1 A 40 40 LYS H H 40 8.474 8.181 0.293 1
1 351 . 12 1 1 A 40 40 LYS HA H 40 3.598 3.068 0.530 1
1 360 . 12 1 1 A 40 40 LYS C C 40 174.530 175.735 -1.205 1
1 361 . 12 1 1 A 40 40 LYS CA C 40 56.459 58.691 -2.232 1
1 362 . 12 1 1 A 40 40 LYS CB C 40 32.276 31.365 0.911 1
1 366 . 12 1 1 A 40 40 LYS N N 40 125.122 125.380 -0.258 1
1 367 . 12 1 1 A 41 41 TYR H H 41 7.513 7.519 -0.006 1
1 368 . 12 1 1 A 41 41 TYR HA H 41 4.537 5.217 -0.680 1
1 375 . 12 1 1 A 41 41 TYR C C 41 174.700 175.411 -0.711 1
1 376 . 12 1 1 A 41 41 TYR CA C 41 56.743 56.618 0.125 1
1 377 . 12 1 1 A 41 41 TYR CB C 41 41.274 40.574 0.700 1
1 382 . 12 1 1 A 41 41 TYR N N 41 113.703 116.197 -2.494 1
1 383 . 12 1 1 A 42 42 LEU H H 42 8.544 8.527 0.017 1
1 384 . 12 1 1 A 42 42 LEU HA H 42 4.610 4.286 0.324 1
1 394 . 12 1 1 A 42 42 LEU C C 42 177.273 177.059 0.214 1
1 395 . 12 1 1 A 42 42 LEU CA C 42 53.408 54.887 -1.479 1
1 396 . 12 1 1 A 42 42 LEU CB C 42 44.040 42.232 1.808 1
1 400 . 12 1 1 A 42 42 LEU N N 42 123.003 126.362 -3.359 1
1 401 . 12 1 1 A 43 43 SER H H 43 8.651 8.774 -0.123 1
1 402 . 12 1 1 A 43 43 SER HA H 43 4.621 4.633 -0.012 1
1 405 . 12 1 1 A 43 43 SER C C 43 174.530 175.121 -0.591 1
1 406 . 12 1 1 A 43 43 SER CA C 43 57.053 57.823 -0.770 1
1 407 . 12 1 1 A 43 43 SER CB C 43 64.786 64.285 0.501 1
1 408 . 12 1 1 A 43 43 SER N N 43 118.850 117.432 1.418 1
1 409 . 12 1 1 A 44 44 THR H H 44 9.159 8.837 0.322 1
1 410 . 12 1 1 A 44 44 THR HA H 44 4.428 3.989 0.439 1
1 415 . 12 1 1 A 44 44 THR C C 44 175.428 173.570 1.858 1
1 416 . 12 1 1 A 44 44 THR CA C 44 66.563 67.620 -1.057 1
1 417 . 12 1 1 A 44 44 THR CB C 44 69.210 67.302 1.908 1
1 419 . 12 1 1 A 44 44 THR N N 44 117.903 120.719 -2.816 1
1 420 . 12 1 1 A 45 45 PRO HA H 45 4.188 4.295 -0.107 1
1 427 . 12 1 1 A 45 45 PRO C C 45 179.312 178.657 0.655 1
1 428 . 12 1 1 A 45 45 PRO CA C 45 66.163 65.950 0.213 1
1 429 . 12 1 1 A 45 45 PRO CB C 45 30.975 30.471 0.504 1
1 432 . 12 1 1 A 46 46 ASP H H 46 7.289 8.295 -1.006 1
1 433 . 12 1 1 A 46 46 ASP HA H 46 4.387 4.328 0.059 1
1 436 . 12 1 1 A 46 46 ASP C C 46 178.390 178.685 -0.295 1
1 437 . 12 1 1 A 46 46 ASP CA C 46 56.974 57.499 -0.525 1
1 438 . 12 1 1 A 46 46 ASP CB C 46 41.498 40.424 1.074 1
1 439 . 12 1 1 A 46 46 ASP N N 46 117.060 117.805 -0.745 1
1 440 . 12 1 1 A 47 47 ARG H H 47 8.493 8.055 0.438 1
1 441 . 12 1 1 A 47 47 ARG HA H 47 3.754 3.984 -0.230 1
1 448 . 12 1 1 A 47 47 ARG C C 47 177.880 178.813 -0.933 1
1 449 . 12 1 1 A 47 47 ARG CA C 47 60.123 58.730 1.393 1
1 450 . 12 1 1 A 47 47 ARG CB C 47 30.355 29.967 0.388 1
1 453 . 12 1 1 A 47 47 ARG N N 47 122.143 120.362 1.781 1
1 454 . 12 1 1 A 48 48 ILE H H 48 8.219 7.940 0.279 1
1 455 . 12 1 1 A 48 48 ILE HA H 48 3.475 3.580 -0.105 1
1 465 . 12 1 1 A 48 48 ILE C C 48 178.026 177.800 0.226 1
1 466 . 12 1 1 A 48 48 ILE CA C 48 66.105 65.369 0.736 1
1 467 . 12 1 1 A 48 48 ILE CB C 48 38.440 38.189 0.251 1
1 471 . 12 1 1 A 48 48 ILE N N 48 119.888 120.126 -0.238 1
1 472 . 12 1 1 A 49 49 ASP H H 49 7.775 8.069 -0.294 1
1 473 . 12 1 1 A 49 49 ASP HA H 49 4.406 4.289 0.117 1
1 476 . 12 1 1 A 49 49 ASP C C 49 178.900 177.943 0.957 1
1 477 . 12 1 1 A 49 49 ASP CA C 49 57.380 57.433 -0.053 1
1 478 . 12 1 1 A 49 49 ASP CB C 49 41.523 41.233 0.290 1
1 479 . 12 1 1 A 49 49 ASP N N 49 119.245 120.341 -1.096 1
1 480 . 12 1 1 A 50 50 LEU H H 50 8.344 7.930 0.414 1
1 481 . 12 1 1 A 50 50 LEU HA H 50 4.090 4.033 0.057 1
1 491 . 12 1 1 A 50 50 LEU C C 50 178.705 178.338 0.367 1
1 492 . 12 1 1 A 50 50 LEU CA C 50 57.651 58.358 -0.707 1
1 493 . 12 1 1 A 50 50 LEU CB C 50 42.526 42.018 0.508 1
1 497 . 12 1 1 A 50 50 LEU N N 50 121.649 120.426 1.223 1
1 498 . 12 1 1 A 51 51 ALA H H 51 8.513 8.268 0.245 1
1 499 . 12 1 1 A 51 51 ALA HA H 51 3.611 3.997 -0.386 1
1 503 . 12 1 1 A 51 51 ALA C C 51 179.749 179.794 -0.045 1
1 504 . 12 1 1 A 51 51 ALA CA C 51 56.139 55.230 0.909 1
1 505 . 12 1 1 A 51 51 ALA CB C 51 17.519 18.280 -0.761 1
1 506 . 12 1 1 A 51 51 ALA N N 51 120.902 120.160 0.742 1
1 507 . 12 1 1 A 52 52 GLU H H 52 8.285 7.779 0.506 1
1 508 . 12 1 1 A 52 52 GLU HA H 52 4.097 4.047 0.050 1
1 513 . 12 1 1 A 52 52 GLU C C 52 180.114 178.753 1.361 1
1 514 . 12 1 1 A 52 52 GLU CA C 52 59.307 59.307 0.000 1
1 515 . 12 1 1 A 52 52 GLU CB C 52 29.408 29.676 -0.268 1
1 517 . 12 1 1 A 52 52 GLU N N 52 116.933 119.140 -2.207 1
1 518 . 12 1 1 A 53 53 SER H H 53 8.229 8.020 0.209 1
1 519 . 12 1 1 A 53 53 SER HA H 53 4.251 4.221 0.030 1
1 522 . 12 1 1 A 53 53 SER C C 53 176.059 176.502 -0.443 1
1 523 . 12 1 1 A 53 53 SER CA C 53 61.347 61.366 -0.019 1
1 524 . 12 1 1 A 53 53 SER CB C 53 63.235 63.023 0.212 1
1 525 . 12 1 1 A 53 53 SER N N 53 114.615 115.773 -1.158 1
1 526 . 12 1 1 A 54 54 LEU H H 54 7.675 7.659 0.016 1
1 527 . 12 1 1 A 54 54 LEU HA H 54 4.513 4.342 0.171 1
1 537 . 12 1 1 A 54 54 LEU C C 54 177.516 177.296 0.220 1
1 538 . 12 1 1 A 54 54 LEU CA C 54 54.422 55.320 -0.898 1
1 539 . 12 1 1 A 54 54 LEU CB C 54 43.880 42.794 1.086 1
1 543 . 12 1 1 A 54 54 LEU N N 54 117.401 118.627 -1.226 1
1 544 . 12 1 1 A 55 55 GLY H H 55 7.941 8.362 -0.421 1
1 545 . 12 1 1 A 55 55 GLY HA2 H 55 3.982 3.912 0.070 1
1 546 . 12 1 1 A 55 55 GLY HA3 H 55 4.026 3.913 0.113 1
1 547 . 12 1 1 A 55 55 GLY C C 55 174.360 174.462 -0.102 1
1 548 . 12 1 1 A 55 55 GLY CA C 55 46.728 46.074 0.654 1
1 549 . 12 1 1 A 55 55 GLY N N 55 111.061 106.572 4.489 1
1 550 . 12 1 1 A 56 56 LEU H H 56 8.190 8.275 -0.085 1
1 551 . 12 1 1 A 56 56 LEU HA H 56 4.803 4.776 0.027 1
1 561 . 12 1 1 A 56 56 LEU C C 56 175.914 175.756 0.158 1
1 562 . 12 1 1 A 56 56 LEU CA C 56 52.510 53.551 -1.041 1
1 563 . 12 1 1 A 56 56 LEU CB C 56 47.484 42.883 4.601 1
1 567 . 12 1 1 A 56 56 LEU N N 56 119.967 121.476 -1.509 1
1 568 . 12 1 1 A 57 57 SER H H 57 9.037 8.929 0.108 1
1 569 . 12 1 1 A 57 57 SER HA H 57 4.423 4.788 -0.365 1
1 572 . 12 1 1 A 57 57 SER C C 57 176.618 175.159 1.459 1
1 573 . 12 1 1 A 57 57 SER CA C 57 56.189 57.704 -1.515 1
1 574 . 12 1 1 A 57 57 SER CB C 57 65.579 64.694 0.885 1
1 575 . 12 1 1 A 57 57 SER N N 57 115.098 117.525 -2.427 1
1 576 . 12 1 1 A 58 58 GLN HA H 58 3.741 3.950 -0.209 1
1 583 . 12 1 1 A 58 58 GLN C C 58 177.904 178.164 -0.260 1
1 584 . 12 1 1 A 58 58 GLN CA C 58 60.504 59.280 1.224 1
1 585 . 12 1 1 A 58 58 GLN CB C 58 28.365 28.274 0.091 1
1 588 . 12 1 1 A 59 59 LEU H H 59 8.207 8.162 0.045 1
1 589 . 12 1 1 A 59 59 LEU HA H 59 4.192 4.094 0.098 1
1 599 . 12 1 1 A 59 59 LEU C C 59 179.871 178.646 1.225 1
1 600 . 12 1 1 A 59 59 LEU CA C 59 57.878 57.811 0.067 1
1 601 . 12 1 1 A 59 59 LEU CB C 59 41.747 41.537 0.210 1
1 605 . 12 1 1 A 59 59 LEU N N 59 120.246 121.686 -1.440 1
1 606 . 12 1 1 A 60 60 GLN H H 60 8.125 8.611 -0.486 1
1 607 . 12 1 1 A 60 60 GLN HA H 60 4.214 4.212 0.002 1
1 614 . 12 1 1 A 60 60 GLN C C 60 179.434 178.625 0.809 1
1 615 . 12 1 1 A 60 60 GLN CA C 60 59.530 58.687 0.843 1
1 616 . 12 1 1 A 60 60 GLN CB C 60 29.651 28.718 0.933 1
1 618 . 12 1 1 A 60 60 GLN N N 60 120.637 118.052 2.585 1
1 620 . 12 1 1 A 61 61 VAL H H 61 7.717 8.042 -0.325 1
1 621 . 12 1 1 A 61 61 VAL HA H 61 3.673 3.812 -0.139 1
1 629 . 12 1 1 A 61 61 VAL C C 61 176.982 177.910 -0.928 1
1 630 . 12 1 1 A 61 61 VAL CA C 61 67.670 67.165 0.505 1
1 631 . 12 1 1 A 61 61 VAL CB C 61 31.899 31.494 0.405 1
1 634 . 12 1 1 A 61 61 VAL N N 61 118.389 119.966 -1.577 1
1 635 . 12 1 1 A 62 62 LYS H H 62 8.578 8.043 0.535 1
1 636 . 12 1 1 A 62 62 LYS HA H 62 4.423 4.030 0.393 1
1 644 . 12 1 1 A 62 62 LYS C C 62 179.749 178.828 0.921 1
1 645 . 12 1 1 A 62 62 LYS CA C 62 59.821 60.006 -0.185 1
1 646 . 12 1 1 A 62 62 LYS CB C 62 33.793 32.617 1.176 1
1 650 . 12 1 1 A 62 62 LYS N N 62 120.540 120.382 0.158 1
1 651 . 12 1 1 A 63 63 THR H H 63 8.722 8.539 0.183 1
1 652 . 12 1 1 A 63 63 THR HA H 63 4.007 4.012 -0.005 1
1 657 . 12 1 1 A 63 63 THR C C 63 176.059 176.630 -0.571 1
1 658 . 12 1 1 A 63 63 THR CA C 63 66.527 67.119 -0.592 1
1 659 . 12 1 1 A 63 63 THR CB C 63 69.236 68.668 0.568 1
1 661 . 12 1 1 A 63 63 THR N N 63 115.962 114.449 1.513 1
1 662 . 12 1 1 A 64 64 TRP H H 64 8.506 8.788 -0.282 1
1 663 . 12 1 1 A 64 64 TRP HA H 64 4.064 4.194 -0.130 1
1 672 . 12 1 1 A 64 64 TRP C C 64 179.264 178.133 1.131 1
1 673 . 12 1 1 A 64 64 TRP CA C 64 63.070 61.138 1.932 1
1 674 . 12 1 1 A 64 64 TRP CB C 64 29.048 29.712 -0.664 1
1 680 . 12 1 1 A 64 64 TRP N N 64 123.609 121.322 2.287 1
1 682 . 12 1 1 A 65 65 TYR H H 65 9.152 8.531 0.621 1
1 683 . 12 1 1 A 65 65 TYR HA H 65 3.660 4.457 -0.797 1
1 690 . 12 1 1 A 65 65 TYR C C 65 178.535 178.644 -0.109 1
1 691 . 12 1 1 A 65 65 TYR CA C 65 63.749 62.117 1.632 1
1 692 . 12 1 1 A 65 65 TYR CB C 65 39.082 38.548 0.534 1
1 697 . 12 1 1 A 65 65 TYR N N 65 121.400 118.836 2.564 1
1 698 . 12 1 1 A 66 66 GLN H H 66 7.981 8.365 -0.384 1
1 699 . 12 1 1 A 66 66 GLN HA H 66 4.036 4.021 0.015 1
1 706 . 12 1 1 A 66 66 GLN C C 66 179.045 178.781 0.264 1
1 707 . 12 1 1 A 66 66 GLN CA C 66 59.255 59.216 0.039 1
1 708 . 12 1 1 A 66 66 GLN CB C 66 28.207 28.336 -0.129 1
1 710 . 12 1 1 A 66 66 GLN N N 66 116.821 118.649 -1.828 1
1 712 . 12 1 1 A 67 67 ASN H H 67 7.862 8.298 -0.436 1
1 713 . 12 1 1 A 67 67 ASN HA H 67 4.367 4.405 -0.038 1
1 718 . 12 1 1 A 67 67 ASN C C 67 177.759 178.126 -0.367 1
1 719 . 12 1 1 A 67 67 ASN CA C 67 55.852 56.181 -0.329 1
1 720 . 12 1 1 A 67 67 ASN CB C 67 38.119 37.684 0.435 1
1 721 . 12 1 1 A 67 67 ASN N N 67 118.257 118.600 -0.343 1
1 723 . 12 1 1 A 68 68 ARG H H 68 8.533 7.810 0.723 1
1 724 . 12 1 1 A 68 68 ARG HA H 68 3.430 3.698 -0.268 1
1 732 . 12 1 1 A 68 68 ARG C C 68 179.992 179.139 0.853 1
1 733 . 12 1 1 A 68 68 ARG CA C 68 56.391 59.603 -3.212 1
1 734 . 12 1 1 A 68 68 ARG CB C 68 27.959 29.334 -1.375 1
1 737 . 12 1 1 A 68 68 ARG N N 68 123.922 119.422 4.500 1
1 739 . 12 1 1 A 69 69 ARG H H 69 8.226 8.287 -0.061 1
1 740 . 12 1 1 A 69 69 ARG HA H 69 4.357 4.321 0.036 1
1 747 . 12 1 1 A 69 69 ARG C C 69 178.535 179.299 -0.764 1
1 748 . 12 1 1 A 69 69 ARG CA C 69 60.681 59.628 1.053 1
1 749 . 12 1 1 A 69 69 ARG CB C 69 31.938 30.262 1.676 1
1 752 . 12 1 1 A 69 69 ARG N N 69 118.839 119.382 -0.543 1
1 753 . 12 1 1 A 70 70 MET H H 70 7.480 7.979 -0.499 1
1 754 . 12 1 1 A 70 70 MET HA H 70 4.287 4.065 0.222 1
1 762 . 12 1 1 A 70 70 MET C C 70 178.098 178.464 -0.366 1
1 763 . 12 1 1 A 70 70 MET CA C 70 58.381 59.347 -0.966 1
1 764 . 12 1 1 A 70 70 MET CB C 70 32.011 32.713 -0.702 1
1 767 . 12 1 1 A 70 70 MET N N 70 118.164 120.263 -2.099 1
1 768 . 12 1 1 A 71 71 LYS H H 71 7.298 7.501 -0.203 1
1 769 . 12 1 1 A 71 71 LYS HA H 71 4.086 4.035 0.051 1
1 778 . 12 1 1 A 71 71 LYS C C 71 177.831 178.296 -0.465 1
1 779 . 12 1 1 A 71 71 LYS CA C 71 58.324 58.848 -0.524 1
1 780 . 12 1 1 A 71 71 LYS CB C 71 32.732 32.192 0.540 1
1 784 . 12 1 1 A 71 71 LYS N N 71 118.798 119.016 -0.218 1
1 785 . 12 1 1 A 72 72 TRP H H 72 7.952 8.677 -0.725 1
1 786 . 12 1 1 A 72 72 TRP HA H 72 4.721 4.136 0.585 1
1 795 . 12 1 1 A 72 72 TRP C C 72 177.152 176.989 0.163 1
1 796 . 12 1 1 A 72 72 TRP CA C 72 58.506 60.673 -2.167 1
1 797 . 12 1 1 A 72 72 TRP CB C 72 29.602 29.726 -0.124 1
1 803 . 12 1 1 A 72 72 TRP N N 72 121.455 122.471 -1.016 1
1 805 . 12 1 1 A 73 73 LYS H H 73 8.241 7.979 0.262 1
1 806 . 12 1 1 A 73 73 LYS HA H 73 3.781 3.569 0.212 1
1 815 . 12 1 1 A 73 73 LYS C C 73 176.957 177.025 -0.068 1
1 816 . 12 1 1 A 73 73 LYS CA C 73 57.074 55.957 1.117 1
1 817 . 12 1 1 A 73 73 LYS CB C 73 32.567 32.280 0.287 1
1 821 . 12 1 1 A 73 73 LYS N N 73 120.065 118.123 1.942 1
1 822 . 12 1 1 A 74 74 LYS H H 74 7.705 8.190 -0.485 1
1 823 . 12 1 1 A 74 74 LYS HA H 74 4.154 4.277 -0.123 1
1 830 . 12 1 1 A 74 74 LYS C C 74 176.836 175.545 1.291 1
1 831 . 12 1 1 A 74 74 LYS CA C 74 57.028 56.493 0.535 1
1 832 . 12 1 1 A 74 74 LYS CB C 74 32.402 31.967 0.435 1
1 836 . 12 1 1 A 74 74 LYS N N 74 120.036 122.021 -1.985 1
1 837 . 12 1 1 A 75 75 SER H H 75 7.986 7.632 0.354 1
1 838 . 12 1 1 A 75 75 SER HA H 75 4.470 4.715 -0.245 1
1 841 . 12 1 1 A 75 75 SER C C 75 174.530 173.115 1.415 1
1 842 . 12 1 1 A 75 75 SER CA C 75 58.786 56.894 1.892 1
1 843 . 12 1 1 A 75 75 SER CB C 75 63.975 63.672 0.303 1
1 844 . 12 1 1 A 75 75 SER N N 75 115.488 116.023 -0.535 1
1 845 . 12 1 1 A 76 76 GLY H H 76 8.040 8.487 -0.447 1
1 846 . 12 1 1 A 76 76 GLY HA2 H 76 4.076 4.181 -0.105 1
1 847 . 12 1 1 A 76 76 GLY HA3 H 76 4.099 4.183 -0.084 1
1 848 . 12 1 1 A 76 76 GLY C C 76 171.835 171.745 0.090 1
1 849 . 12 1 1 A 76 76 GLY CA C 76 44.789 45.278 -0.489 1
1 850 . 12 1 1 A 76 76 GLY N N 76 110.454 113.832 -3.378 1
1 851 . 12 1 1 A 77 77 PRO HA H 77 4.456 4.548 -0.092 1
1 856 . 12 1 1 A 77 77 PRO CA C 77 63.323 62.374 0.949 1
1 857 . 12 1 1 A 77 77 PRO CB C 77 32.209 32.375 -0.166 1
1 860 . 12 1 1 A 79 79 SER HA H 79 4.506 4.919 -0.413 1
1 863 . 12 1 1 A 79 79 SER C C 79 173.947 175.838 -1.891 1
1 864 . 12 1 1 A 79 79 SER CA C 79 58.433 56.467 1.966 1
1 865 . 12 1 1 A 79 79 SER CB C 79 63.960 65.029 -1.069 1
1 1 . 13 1 1 A 7 7 GLY HA2 H 7 4.014 4.256 -0.242 1
1 2 . 13 1 1 A 7 7 GLY HA3 H 7 4.014 4.256 -0.242 1
1 3 . 13 1 1 A 7 7 GLY C C 7 174.578 173.408 1.170 1
1 4 . 13 1 1 A 7 7 GLY CA C 7 45.445 44.601 0.844 1
1 5 . 13 1 1 A 8 8 GLY H H 8 8.219 8.304 -0.085 1
1 6 . 13 1 1 A 8 8 GLY HA2 H 8 3.959 4.176 -0.217 1
1 7 . 13 1 1 A 8 8 GLY HA3 H 8 3.959 4.177 -0.218 1
1 8 . 13 1 1 A 8 8 GLY C C 8 173.898 171.627 2.271 1
1 9 . 13 1 1 A 8 8 GLY CA C 8 44.923 45.693 -0.770 1
1 10 . 13 1 1 A 8 8 GLY N N 8 108.655 108.472 0.183 1
1 11 . 13 1 1 A 9 9 GLU H H 9 8.378 8.677 -0.299 1
1 12 . 13 1 1 A 9 9 GLU HA H 9 4.586 4.882 -0.296 1
1 16 . 13 1 1 A 9 9 GLU C C 9 175.015 173.809 1.206 1
1 17 . 13 1 1 A 9 9 GLU CA C 9 54.661 53.156 1.505 1
1 18 . 13 1 1 A 9 9 GLU CB C 9 29.534 32.596 -3.062 1
1 20 . 13 1 1 A 9 9 GLU N N 9 121.838 119.983 1.855 1
1 21 . 13 1 1 A 10 10 PRO HA H 10 4.428 4.450 -0.022 1
1 28 . 13 1 1 A 10 10 PRO C C 10 177.856 176.224 1.632 1
1 29 . 13 1 1 A 10 10 PRO CA C 10 63.767 63.250 0.517 1
1 30 . 13 1 1 A 10 10 PRO CB C 10 32.080 33.502 -1.422 1
1 33 . 13 1 1 A 11 11 GLY H H 11 8.556 8.151 0.405 1
1 34 . 13 1 1 A 11 11 GLY HA2 H 11 3.997 4.129 -0.132 1
1 35 . 13 1 1 A 11 11 GLY HA3 H 11 3.997 4.129 -0.132 1
1 36 . 13 1 1 A 11 11 GLY C C 11 174.724 172.782 1.942 1
1 37 . 13 1 1 A 11 11 GLY CA C 11 45.529 45.569 -0.040 1
1 38 . 13 1 1 A 11 11 GLY N N 11 108.931 107.592 1.339 1
1 39 . 13 1 1 A 12 12 THR H H 12 7.973 8.674 -0.701 1
1 40 . 13 1 1 A 12 12 THR HA H 12 4.306 4.241 0.065 1
1 45 . 13 1 1 A 12 12 THR C C 12 174.942 174.327 0.615 1
1 46 . 13 1 1 A 12 12 THR CA C 12 62.240 63.305 -1.065 1
1 47 . 13 1 1 A 12 12 THR CB C 12 69.882 69.400 0.482 1
1 49 . 13 1 1 A 12 12 THR N N 12 113.454 119.454 -6.000 1
1 50 . 13 1 1 A 13 13 LYS H H 13 8.313 9.045 -0.732 1
1 51 . 13 1 1 A 13 13 LYS HA H 13 4.281 4.474 -0.193 1
1 58 . 13 1 1 A 13 13 LYS C C 13 176.520 175.986 0.534 1
1 59 . 13 1 1 A 13 13 LYS CA C 13 56.565 57.474 -0.909 1
1 60 . 13 1 1 A 13 13 LYS CB C 13 32.590 34.335 -1.745 1
1 64 . 13 1 1 A 13 13 LYS N N 13 123.479 125.452 -1.973 1
1 65 . 13 1 1 A 14 14 ALA H H 14 8.192 7.423 0.769 1
1 66 . 13 1 1 A 14 14 ALA HA H 14 4.272 4.547 -0.275 1
1 70 . 13 1 1 A 14 14 ALA C C 14 177.807 175.429 2.378 1
1 71 . 13 1 1 A 14 14 ALA CA C 14 52.581 51.261 1.320 1
1 72 . 13 1 1 A 14 14 ALA CB C 14 19.258 22.843 -3.585 1
1 73 . 13 1 1 A 14 14 ALA N N 14 124.692 118.474 6.218 1
1 74 . 13 1 1 A 15 15 LYS H H 15 8.264 8.686 -0.422 1
1 75 . 13 1 1 A 15 15 LYS HA H 15 4.296 4.358 -0.062 1
1 81 . 13 1 1 A 15 15 LYS C C 15 176.812 177.508 -0.696 1
1 82 . 13 1 1 A 15 15 LYS CA C 15 56.403 56.048 0.355 1
1 83 . 13 1 1 A 15 15 LYS CB C 15 32.979 32.520 0.459 1
1 87 . 13 1 1 A 15 15 LYS N N 15 120.979 120.122 0.857 1
1 88 . 13 1 1 A 16 16 LYS H H 16 8.330 8.938 -0.608 1
1 89 . 13 1 1 A 16 16 LYS HA H 16 4.289 3.882 0.407 1
1 93 . 13 1 1 A 16 16 LYS C C 16 177.103 176.595 0.508 1
1 94 . 13 1 1 A 16 16 LYS CB C 16 33.072 33.178 -0.106 1
1 98 . 13 1 1 A 16 16 LYS N N 16 122.581 126.773 -4.192 1
1 99 . 13 1 1 A 22 22 THR HA H 22 4.294 4.993 -0.699 1
1 104 . 13 1 1 A 22 22 THR C C 22 174.020 174.351 -0.331 1
1 105 . 13 1 1 A 22 22 THR CA C 22 61.928 60.994 0.934 1
1 106 . 13 1 1 A 22 22 THR CB C 22 69.730 68.627 1.103 1
1 108 . 13 1 1 A 23 23 VAL H H 23 8.087 8.419 -0.332 1
1 109 . 13 1 1 A 23 23 VAL HA H 23 4.112 4.561 -0.449 1
1 117 . 13 1 1 A 23 23 VAL C C 23 175.646 174.913 0.733 1
1 118 . 13 1 1 A 23 23 VAL CA C 23 62.011 61.356 0.655 1
1 119 . 13 1 1 A 23 23 VAL CB C 23 33.060 31.213 1.847 1
1 122 . 13 1 1 A 23 23 VAL N N 23 123.252 124.098 -0.846 1
1 123 . 13 1 1 A 24 24 PHE H H 24 8.220 8.831 -0.611 1
1 124 . 13 1 1 A 24 24 PHE HA H 24 4.976 5.196 -0.220 1
1 132 . 13 1 1 A 24 24 PHE C C 24 176.739 175.048 1.691 1
1 133 . 13 1 1 A 24 24 PHE CA C 24 56.389 55.757 0.632 1
1 134 . 13 1 1 A 24 24 PHE CB C 24 40.492 42.180 -1.688 1
1 140 . 13 1 1 A 24 24 PHE N N 24 123.332 125.719 -2.387 1
1 141 . 13 1 1 A 25 25 THR H H 25 9.003 8.655 0.348 1
1 142 . 13 1 1 A 25 25 THR HA H 25 4.470 4.580 -0.110 1
1 147 . 13 1 1 A 25 25 THR C C 25 175.209 175.889 -0.680 1
1 148 . 13 1 1 A 25 25 THR CA C 25 60.598 61.714 -1.116 1
1 149 . 13 1 1 A 25 25 THR CB C 25 70.801 69.531 1.270 1
1 151 . 13 1 1 A 25 25 THR N N 25 113.078 116.713 -3.635 1
1 152 . 13 1 1 A 26 26 GLU H H 26 8.991 9.002 -0.011 1
1 153 . 13 1 1 A 26 26 GLU HA H 26 4.036 3.968 0.068 1
1 158 . 13 1 1 A 26 26 GLU C C 26 179.118 178.838 0.280 1
1 159 . 13 1 1 A 26 26 GLU CA C 26 60.222 59.419 0.803 1
1 160 . 13 1 1 A 26 26 GLU CB C 26 29.271 29.270 0.001 1
1 162 . 13 1 1 A 26 26 GLU N N 26 120.978 127.499 -6.521 1
1 163 . 13 1 1 A 27 27 LEU H H 27 8.120 7.878 0.242 1
1 164 . 13 1 1 A 27 27 LEU HA H 27 4.117 4.041 0.076 1
1 174 . 13 1 1 A 27 27 LEU C C 27 180.623 178.666 1.957 1
1 175 . 13 1 1 A 27 27 LEU CA C 27 58.187 58.196 -0.009 1
1 176 . 13 1 1 A 27 27 LEU CB C 27 42.220 41.954 0.266 1
1 180 . 13 1 1 A 27 27 LEU N N 27 118.897 121.723 -2.826 1
1 181 . 13 1 1 A 28 28 GLN H H 28 7.733 8.319 -0.586 1
1 182 . 13 1 1 A 28 28 GLN HA H 28 3.864 4.079 -0.215 1
1 189 . 13 1 1 A 28 28 GLN C C 28 177.492 178.709 -1.217 1
1 190 . 13 1 1 A 28 28 GLN CA C 28 59.212 58.958 0.254 1
1 191 . 13 1 1 A 28 28 GLN CB C 28 27.740 28.457 -0.717 1
1 193 . 13 1 1 A 28 28 GLN N N 28 119.947 117.720 2.227 1
1 195 . 13 1 1 A 29 29 LEU H H 29 8.336 8.458 -0.122 1
1 196 . 13 1 1 A 29 29 LEU HA H 29 3.665 3.998 -0.333 1
1 206 . 13 1 1 A 29 29 LEU C C 29 179.118 178.436 0.682 1
1 207 . 13 1 1 A 29 29 LEU CA C 29 58.068 57.649 0.419 1
1 208 . 13 1 1 A 29 29 LEU CB C 29 41.582 41.420 0.162 1
1 212 . 13 1 1 A 29 29 LEU N N 29 118.154 120.767 -2.613 1
1 213 . 13 1 1 A 30 30 MET H H 30 8.282 8.093 0.189 1
1 214 . 13 1 1 A 30 30 MET HA H 30 4.118 4.091 0.027 1
1 222 . 13 1 1 A 30 30 MET C C 30 179.070 178.545 0.525 1
1 223 . 13 1 1 A 30 30 MET CA C 30 58.583 58.534 0.049 1
1 224 . 13 1 1 A 30 30 MET CB C 30 32.665 32.289 0.376 1
1 227 . 13 1 1 A 30 30 MET N N 30 117.314 118.724 -1.410 1
1 228 . 13 1 1 A 31 31 GLY H H 31 7.904 8.203 -0.299 1
1 229 . 13 1 1 A 31 31 GLY HA2 H 31 3.787 3.626 0.161 1
1 230 . 13 1 1 A 31 31 GLY HA3 H 31 3.631 3.634 -0.003 1
1 231 . 13 1 1 A 31 31 GLY C C 31 176.618 176.031 0.587 1
1 232 . 13 1 1 A 31 31 GLY CA C 31 47.231 47.332 -0.101 1
1 233 . 13 1 1 A 31 31 GLY N N 31 107.053 106.943 0.110 1
1 234 . 13 1 1 A 32 32 LEU H H 32 7.982 8.173 -0.191 1
1 235 . 13 1 1 A 32 32 LEU HA H 32 3.577 3.799 -0.222 1
1 245 . 13 1 1 A 32 32 LEU C C 32 177.564 178.682 -1.118 1
1 246 . 13 1 1 A 32 32 LEU CA C 32 58.318 57.560 0.758 1
1 247 . 13 1 1 A 32 32 LEU CB C 32 38.280 40.777 -2.497 1
1 251 . 13 1 1 A 32 32 LEU N N 32 125.323 122.531 2.792 1
1 252 . 13 1 1 A 33 33 GLU H H 33 8.054 7.806 0.248 1
1 253 . 13 1 1 A 33 33 GLU HA H 33 4.283 4.037 0.246 1
1 258 . 13 1 1 A 33 33 GLU C C 33 180.041 179.206 0.835 1
1 259 . 13 1 1 A 33 33 GLU CA C 33 59.157 59.898 -0.741 1
1 260 . 13 1 1 A 33 33 GLU CB C 33 29.155 29.415 -0.260 1
1 262 . 13 1 1 A 33 33 GLU N N 33 118.448 117.268 1.180 1
1 263 . 13 1 1 A 34 34 LYS H H 34 8.229 7.861 0.368 1
1 264 . 13 1 1 A 34 34 LYS HA H 34 4.099 3.940 0.159 1
1 271 . 13 1 1 A 34 34 LYS C C 34 179.822 178.661 1.161 1
1 272 . 13 1 1 A 34 34 LYS CA C 34 58.789 59.566 -0.777 1
1 273 . 13 1 1 A 34 34 LYS CB C 34 32.073 32.465 -0.392 1
1 277 . 13 1 1 A 34 34 LYS N N 34 118.230 120.843 -2.613 1
1 278 . 13 1 1 A 35 35 ARG H H 35 7.560 7.899 -0.339 1
1 279 . 13 1 1 A 35 35 ARG HA H 35 4.190 4.061 0.129 1
1 286 . 13 1 1 A 35 35 ARG C C 35 178.001 178.932 -0.931 1
1 287 . 13 1 1 A 35 35 ARG CA C 35 57.095 59.456 -2.361 1
1 288 . 13 1 1 A 35 35 ARG CB C 35 28.882 30.047 -1.165 1
1 291 . 13 1 1 A 35 35 ARG N N 35 120.162 118.271 1.891 1
1 292 . 13 1 1 A 36 36 PHE H H 36 8.810 8.343 0.467 1
1 293 . 13 1 1 A 36 36 PHE HA H 36 4.227 4.103 0.124 1
1 301 . 13 1 1 A 36 36 PHE C C 36 176.520 177.573 -1.053 1
1 302 . 13 1 1 A 36 36 PHE CA C 36 60.886 61.369 -0.483 1
1 303 . 13 1 1 A 36 36 PHE CB C 36 39.333 39.111 0.222 1
1 309 . 13 1 1 A 36 36 PHE N N 36 122.860 120.517 2.343 1
1 310 . 13 1 1 A 37 37 GLU H H 37 7.772 8.569 -0.797 1
1 311 . 13 1 1 A 37 37 GLU HA H 37 3.701 3.915 -0.214 1
1 316 . 13 1 1 A 37 37 GLU C C 37 177.297 178.794 -1.497 1
1 317 . 13 1 1 A 37 37 GLU CA C 37 59.036 59.927 -0.891 1
1 318 . 13 1 1 A 37 37 GLU CB C 37 29.981 29.200 0.781 1
1 320 . 13 1 1 A 37 37 GLU N N 37 116.313 117.348 -1.035 1
1 321 . 13 1 1 A 38 38 LYS H H 38 7.005 7.827 -0.822 1
1 322 . 13 1 1 A 38 38 LYS HA H 38 4.280 4.114 0.166 1
1 329 . 13 1 1 A 38 38 LYS C C 38 177.079 176.774 0.305 1
1 330 . 13 1 1 A 38 38 LYS CA C 38 56.741 59.064 -2.323 1
1 331 . 13 1 1 A 38 38 LYS CB C 38 34.301 32.363 1.938 1
1 335 . 13 1 1 A 38 38 LYS N N 38 114.632 120.080 -5.448 1
1 336 . 13 1 1 A 39 39 GLN H H 39 8.641 7.882 0.759 1
1 337 . 13 1 1 A 39 39 GLN HA H 39 4.509 4.324 0.185 1
1 344 . 13 1 1 A 39 39 GLN C C 39 173.340 175.482 -2.142 1
1 345 . 13 1 1 A 39 39 GLN CA C 39 55.527 54.396 1.131 1
1 346 . 13 1 1 A 39 39 GLN CB C 39 31.827 29.586 2.241 1
1 348 . 13 1 1 A 39 39 GLN N N 39 120.830 117.801 3.029 1
1 350 . 13 1 1 A 40 40 LYS H H 40 8.474 8.006 0.468 1
1 351 . 13 1 1 A 40 40 LYS HA H 40 3.598 2.947 0.651 1
1 360 . 13 1 1 A 40 40 LYS C C 40 174.530 175.771 -1.241 1
1 361 . 13 1 1 A 40 40 LYS CA C 40 56.459 58.489 -2.030 1
1 362 . 13 1 1 A 40 40 LYS CB C 40 32.276 31.509 0.767 1
1 366 . 13 1 1 A 40 40 LYS N N 40 125.122 125.265 -0.143 1
1 367 . 13 1 1 A 41 41 TYR H H 41 7.513 6.974 0.539 1
1 368 . 13 1 1 A 41 41 TYR HA H 41 4.537 5.019 -0.482 1
1 375 . 13 1 1 A 41 41 TYR C C 41 174.700 174.210 0.490 1
1 376 . 13 1 1 A 41 41 TYR CA C 41 56.743 56.230 0.513 1
1 377 . 13 1 1 A 41 41 TYR CB C 41 41.274 40.945 0.329 1
1 382 . 13 1 1 A 41 41 TYR N N 41 113.703 114.431 -0.728 1
1 383 . 13 1 1 A 42 42 LEU H H 42 8.544 8.687 -0.143 1
1 384 . 13 1 1 A 42 42 LEU HA H 42 4.610 4.248 0.362 1
1 394 . 13 1 1 A 42 42 LEU C C 42 177.273 177.013 0.260 1
1 395 . 13 1 1 A 42 42 LEU CA C 42 53.408 54.896 -1.488 1
1 396 . 13 1 1 A 42 42 LEU CB C 42 44.040 42.526 1.514 1
1 400 . 13 1 1 A 42 42 LEU N N 42 123.003 126.275 -3.272 1
1 401 . 13 1 1 A 43 43 SER H H 43 8.651 8.651 0.000 1
1 402 . 13 1 1 A 43 43 SER HA H 43 4.621 4.676 -0.055 1
1 405 . 13 1 1 A 43 43 SER C C 43 174.530 175.110 -0.580 1
1 406 . 13 1 1 A 43 43 SER CA C 43 57.053 57.779 -0.726 1
1 407 . 13 1 1 A 43 43 SER CB C 43 64.786 64.739 0.047 1
1 408 . 13 1 1 A 43 43 SER N N 43 118.850 116.576 2.274 1
1 409 . 13 1 1 A 44 44 THR H H 44 9.159 8.796 0.363 1
1 410 . 13 1 1 A 44 44 THR HA H 44 4.428 4.003 0.425 1
1 415 . 13 1 1 A 44 44 THR C C 44 175.428 173.583 1.845 1
1 416 . 13 1 1 A 44 44 THR CA C 44 66.563 67.652 -1.089 1
1 417 . 13 1 1 A 44 44 THR CB C 44 69.210 67.623 1.587 1
1 419 . 13 1 1 A 44 44 THR N N 44 117.903 120.694 -2.791 1
1 420 . 13 1 1 A 45 45 PRO HA H 45 4.188 4.299 -0.111 1
1 427 . 13 1 1 A 45 45 PRO C C 45 179.312 178.795 0.517 1
1 428 . 13 1 1 A 45 45 PRO CA C 45 66.163 66.362 -0.199 1
1 429 . 13 1 1 A 45 45 PRO CB C 45 30.975 30.550 0.425 1
1 432 . 13 1 1 A 46 46 ASP H H 46 7.289 8.378 -1.089 1
1 433 . 13 1 1 A 46 46 ASP HA H 46 4.387 4.306 0.081 1
1 436 . 13 1 1 A 46 46 ASP C C 46 178.390 178.733 -0.343 1
1 437 . 13 1 1 A 46 46 ASP CA C 46 56.974 57.529 -0.555 1
1 438 . 13 1 1 A 46 46 ASP CB C 46 41.498 40.248 1.250 1
1 439 . 13 1 1 A 46 46 ASP N N 46 117.060 117.469 -0.409 1
1 440 . 13 1 1 A 47 47 ARG H H 47 8.493 7.899 0.594 1
1 441 . 13 1 1 A 47 47 ARG HA H 47 3.754 3.958 -0.204 1
1 448 . 13 1 1 A 47 47 ARG C C 47 177.880 178.685 -0.805 1
1 449 . 13 1 1 A 47 47 ARG CA C 47 60.123 58.757 1.366 1
1 450 . 13 1 1 A 47 47 ARG CB C 47 30.355 30.004 0.351 1
1 453 . 13 1 1 A 47 47 ARG N N 47 122.143 120.056 2.087 1
1 454 . 13 1 1 A 48 48 ILE H H 48 8.219 7.877 0.342 1
1 455 . 13 1 1 A 48 48 ILE HA H 48 3.475 3.578 -0.103 1
1 465 . 13 1 1 A 48 48 ILE C C 48 178.026 177.775 0.251 1
1 466 . 13 1 1 A 48 48 ILE CA C 48 66.105 65.283 0.822 1
1 467 . 13 1 1 A 48 48 ILE CB C 48 38.440 37.990 0.450 1
1 471 . 13 1 1 A 48 48 ILE N N 48 119.888 120.365 -0.477 1
1 472 . 13 1 1 A 49 49 ASP H H 49 7.775 8.174 -0.399 1
1 473 . 13 1 1 A 49 49 ASP HA H 49 4.406 4.270 0.136 1
1 476 . 13 1 1 A 49 49 ASP C C 49 178.900 178.167 0.733 1
1 477 . 13 1 1 A 49 49 ASP CA C 49 57.380 57.505 -0.125 1
1 478 . 13 1 1 A 49 49 ASP CB C 49 41.523 41.064 0.459 1
1 479 . 13 1 1 A 49 49 ASP N N 49 119.245 120.507 -1.262 1
1 480 . 13 1 1 A 50 50 LEU H H 50 8.344 7.856 0.488 1
1 481 . 13 1 1 A 50 50 LEU HA H 50 4.090 4.032 0.058 1
1 491 . 13 1 1 A 50 50 LEU C C 50 178.705 178.173 0.532 1
1 492 . 13 1 1 A 50 50 LEU CA C 50 57.651 58.113 -0.462 1
1 493 . 13 1 1 A 50 50 LEU CB C 50 42.526 41.975 0.551 1
1 497 . 13 1 1 A 50 50 LEU N N 50 121.649 120.352 1.297 1
1 498 . 13 1 1 A 51 51 ALA H H 51 8.513 8.339 0.174 1
1 499 . 13 1 1 A 51 51 ALA HA H 51 3.611 3.953 -0.342 1
1 503 . 13 1 1 A 51 51 ALA C C 51 179.749 179.543 0.206 1
1 504 . 13 1 1 A 51 51 ALA CA C 51 56.139 54.920 1.219 1
1 505 . 13 1 1 A 51 51 ALA CB C 51 17.519 18.404 -0.885 1
1 506 . 13 1 1 A 51 51 ALA N N 51 120.902 120.370 0.532 1
1 507 . 13 1 1 A 52 52 GLU H H 52 8.285 7.822 0.463 1
1 508 . 13 1 1 A 52 52 GLU HA H 52 4.097 4.150 -0.053 1
1 513 . 13 1 1 A 52 52 GLU C C 52 180.114 179.419 0.695 1
1 514 . 13 1 1 A 52 52 GLU CA C 52 59.307 58.871 0.436 1
1 515 . 13 1 1 A 52 52 GLU CB C 52 29.408 29.250 0.158 1
1 517 . 13 1 1 A 52 52 GLU N N 52 116.933 118.144 -1.211 1
1 518 . 13 1 1 A 53 53 SER H H 53 8.229 8.418 -0.189 1
1 519 . 13 1 1 A 53 53 SER HA H 53 4.251 4.188 0.063 1
1 522 . 13 1 1 A 53 53 SER C C 53 176.059 175.832 0.227 1
1 523 . 13 1 1 A 53 53 SER CA C 53 61.347 62.485 -1.138 1
1 524 . 13 1 1 A 53 53 SER CB C 53 63.235 63.285 -0.050 1
1 525 . 13 1 1 A 53 53 SER N N 53 114.615 118.131 -3.516 1
1 526 . 13 1 1 A 54 54 LEU H H 54 7.675 7.862 -0.187 1
1 527 . 13 1 1 A 54 54 LEU HA H 54 4.513 4.253 0.260 1
1 537 . 13 1 1 A 54 54 LEU C C 54 177.516 177.090 0.426 1
1 538 . 13 1 1 A 54 54 LEU CA C 54 54.422 55.532 -1.110 1
1 539 . 13 1 1 A 54 54 LEU CB C 54 43.880 42.748 1.132 1
1 543 . 13 1 1 A 54 54 LEU N N 54 117.401 117.631 -0.230 1
1 544 . 13 1 1 A 55 55 GLY H H 55 7.941 8.009 -0.068 1
1 545 . 13 1 1 A 55 55 GLY HA2 H 55 3.982 3.896 0.086 1
1 546 . 13 1 1 A 55 55 GLY HA3 H 55 4.026 3.902 0.124 1
1 547 . 13 1 1 A 55 55 GLY C C 55 174.360 174.277 0.083 1
1 548 . 13 1 1 A 55 55 GLY CA C 55 46.728 45.879 0.849 1
1 549 . 13 1 1 A 55 55 GLY N N 55 111.061 106.352 4.709 1
1 550 . 13 1 1 A 56 56 LEU H H 56 8.190 8.173 0.017 1
1 551 . 13 1 1 A 56 56 LEU HA H 56 4.803 4.709 0.094 1
1 561 . 13 1 1 A 56 56 LEU C C 56 175.914 175.965 -0.051 1
1 562 . 13 1 1 A 56 56 LEU CA C 56 52.510 53.119 -0.609 1
1 563 . 13 1 1 A 56 56 LEU CB C 56 47.484 43.828 3.656 1
1 567 . 13 1 1 A 56 56 LEU N N 56 119.967 120.905 -0.938 1
1 568 . 13 1 1 A 57 57 SER H H 57 9.037 8.971 0.066 1
1 569 . 13 1 1 A 57 57 SER HA H 57 4.423 4.618 -0.195 1
1 572 . 13 1 1 A 57 57 SER C C 57 176.618 175.576 1.042 1
1 573 . 13 1 1 A 57 57 SER CA C 57 56.189 58.156 -1.967 1
1 574 . 13 1 1 A 57 57 SER CB C 57 65.579 64.245 1.334 1
1 575 . 13 1 1 A 57 57 SER N N 57 115.098 118.219 -3.121 1
1 576 . 13 1 1 A 58 58 GLN HA H 58 3.741 3.924 -0.183 1
1 583 . 13 1 1 A 58 58 GLN C C 58 177.904 178.136 -0.232 1
1 584 . 13 1 1 A 58 58 GLN CA C 58 60.504 59.258 1.246 1
1 585 . 13 1 1 A 58 58 GLN CB C 58 28.365 28.269 0.096 1
1 588 . 13 1 1 A 59 59 LEU H H 59 8.207 8.100 0.107 1
1 589 . 13 1 1 A 59 59 LEU HA H 59 4.192 4.068 0.124 1
1 599 . 13 1 1 A 59 59 LEU C C 59 179.871 178.728 1.143 1
1 600 . 13 1 1 A 59 59 LEU CA C 59 57.878 58.019 -0.141 1
1 601 . 13 1 1 A 59 59 LEU CB C 59 41.747 41.885 -0.138 1
1 605 . 13 1 1 A 59 59 LEU N N 59 120.246 121.604 -1.358 1
1 606 . 13 1 1 A 60 60 GLN H H 60 8.125 8.500 -0.375 1
1 607 . 13 1 1 A 60 60 GLN HA H 60 4.214 4.252 -0.038 1
1 614 . 13 1 1 A 60 60 GLN C C 60 179.434 178.649 0.785 1
1 615 . 13 1 1 A 60 60 GLN CA C 60 59.530 58.939 0.591 1
1 616 . 13 1 1 A 60 60 GLN CB C 60 29.651 28.752 0.899 1
1 618 . 13 1 1 A 60 60 GLN N N 60 120.637 117.832 2.805 1
1 620 . 13 1 1 A 61 61 VAL H H 61 7.717 8.116 -0.399 1
1 621 . 13 1 1 A 61 61 VAL HA H 61 3.673 3.779 -0.106 1
1 629 . 13 1 1 A 61 61 VAL C C 61 176.982 177.896 -0.914 1
1 630 . 13 1 1 A 61 61 VAL CA C 61 67.670 66.962 0.708 1
1 631 . 13 1 1 A 61 61 VAL CB C 61 31.899 31.495 0.404 1
1 634 . 13 1 1 A 61 61 VAL N N 61 118.389 120.071 -1.682 1
1 635 . 13 1 1 A 62 62 LYS H H 62 8.578 7.912 0.666 1
1 636 . 13 1 1 A 62 62 LYS HA H 62 4.423 4.078 0.345 1
1 644 . 13 1 1 A 62 62 LYS C C 62 179.749 179.016 0.733 1
1 645 . 13 1 1 A 62 62 LYS CA C 62 59.821 59.807 0.014 1
1 646 . 13 1 1 A 62 62 LYS CB C 62 33.793 32.370 1.423 1
1 650 . 13 1 1 A 62 62 LYS N N 62 120.540 120.527 0.013 1
1 651 . 13 1 1 A 63 63 THR H H 63 8.722 8.175 0.547 1
1 652 . 13 1 1 A 63 63 THR HA H 63 4.007 4.068 -0.061 1
1 657 . 13 1 1 A 63 63 THR C C 63 176.059 176.262 -0.203 1
1 658 . 13 1 1 A 63 63 THR CA C 63 66.527 66.811 -0.284 1
1 659 . 13 1 1 A 63 63 THR CB C 63 69.236 69.052 0.184 1
1 661 . 13 1 1 A 63 63 THR N N 63 115.962 115.176 0.786 1
1 662 . 13 1 1 A 64 64 TRP H H 64 8.506 8.766 -0.260 1
1 663 . 13 1 1 A 64 64 TRP HA H 64 4.064 4.182 -0.118 1
1 672 . 13 1 1 A 64 64 TRP C C 64 179.264 177.909 1.355 1
1 673 . 13 1 1 A 64 64 TRP CA C 64 63.070 61.143 1.927 1
1 674 . 13 1 1 A 64 64 TRP CB C 64 29.048 29.767 -0.719 1
1 680 . 13 1 1 A 64 64 TRP N N 64 123.609 121.261 2.348 1
1 682 . 13 1 1 A 65 65 TYR H H 65 9.152 8.937 0.215 1
1 683 . 13 1 1 A 65 65 TYR HA H 65 3.660 4.694 -1.034 1
1 690 . 13 1 1 A 65 65 TYR C C 65 178.535 178.660 -0.125 1
1 691 . 13 1 1 A 65 65 TYR CA C 65 63.749 61.390 2.359 1
1 692 . 13 1 1 A 65 65 TYR CB C 65 39.082 38.771 0.311 1
1 697 . 13 1 1 A 65 65 TYR N N 65 121.400 118.644 2.756 1
1 698 . 13 1 1 A 66 66 GLN H H 66 7.981 8.186 -0.205 1
1 699 . 13 1 1 A 66 66 GLN HA H 66 4.036 4.068 -0.032 1
1 706 . 13 1 1 A 66 66 GLN C C 66 179.045 178.676 0.369 1
1 707 . 13 1 1 A 66 66 GLN CA C 66 59.255 59.394 -0.139 1
1 708 . 13 1 1 A 66 66 GLN CB C 66 28.207 28.481 -0.274 1
1 710 . 13 1 1 A 66 66 GLN N N 66 116.821 119.479 -2.658 1
1 712 . 13 1 1 A 67 67 ASN H H 67 7.862 8.584 -0.722 1
1 713 . 13 1 1 A 67 67 ASN HA H 67 4.367 4.506 -0.139 1
1 718 . 13 1 1 A 67 67 ASN C C 67 177.759 178.088 -0.329 1
1 719 . 13 1 1 A 67 67 ASN CA C 67 55.852 56.013 -0.161 1
1 720 . 13 1 1 A 67 67 ASN CB C 67 38.119 37.591 0.528 1
1 721 . 13 1 1 A 67 67 ASN N N 67 118.257 118.156 0.101 1
1 723 . 13 1 1 A 68 68 ARG H H 68 8.533 7.914 0.619 1
1 724 . 13 1 1 A 68 68 ARG HA H 68 3.430 3.696 -0.266 1
1 732 . 13 1 1 A 68 68 ARG C C 68 179.992 179.071 0.921 1
1 733 . 13 1 1 A 68 68 ARG CA C 68 56.391 59.476 -3.085 1
1 734 . 13 1 1 A 68 68 ARG CB C 68 27.959 29.432 -1.473 1
1 737 . 13 1 1 A 68 68 ARG N N 68 123.922 120.085 3.837 1
1 739 . 13 1 1 A 69 69 ARG H H 69 8.226 8.524 -0.298 1
1 740 . 13 1 1 A 69 69 ARG HA H 69 4.357 4.378 -0.021 1
1 747 . 13 1 1 A 69 69 ARG C C 69 178.535 179.110 -0.575 1
1 748 . 13 1 1 A 69 69 ARG CA C 69 60.681 59.593 1.088 1
1 749 . 13 1 1 A 69 69 ARG CB C 69 31.938 30.471 1.467 1
1 752 . 13 1 1 A 69 69 ARG N N 69 118.839 120.140 -1.301 1
1 753 . 13 1 1 A 70 70 MET H H 70 7.480 8.029 -0.549 1
1 754 . 13 1 1 A 70 70 MET HA H 70 4.287 4.065 0.222 1
1 762 . 13 1 1 A 70 70 MET C C 70 178.098 178.887 -0.789 1
1 763 . 13 1 1 A 70 70 MET CA C 70 58.381 59.076 -0.695 1
1 764 . 13 1 1 A 70 70 MET CB C 70 32.011 32.519 -0.508 1
1 767 . 13 1 1 A 70 70 MET N N 70 118.164 119.976 -1.812 1
1 768 . 13 1 1 A 71 71 LYS H H 71 7.298 8.052 -0.754 1
1 769 . 13 1 1 A 71 71 LYS HA H 71 4.086 4.020 0.066 1
1 778 . 13 1 1 A 71 71 LYS C C 71 177.831 178.883 -1.052 1
1 779 . 13 1 1 A 71 71 LYS CA C 71 58.324 58.898 -0.574 1
1 780 . 13 1 1 A 71 71 LYS CB C 71 32.732 32.270 0.462 1
1 784 . 13 1 1 A 71 71 LYS N N 71 118.798 118.072 0.726 1
1 785 . 13 1 1 A 72 72 TRP H H 72 7.952 8.610 -0.658 1
1 786 . 13 1 1 A 72 72 TRP HA H 72 4.721 4.167 0.554 1
1 795 . 13 1 1 A 72 72 TRP C C 72 177.152 176.877 0.275 1
1 796 . 13 1 1 A 72 72 TRP CA C 72 58.506 60.662 -2.156 1
1 797 . 13 1 1 A 72 72 TRP CB C 72 29.602 29.778 -0.176 1
1 803 . 13 1 1 A 72 72 TRP N N 72 121.455 122.506 -1.051 1
1 805 . 13 1 1 A 73 73 LYS H H 73 8.241 8.091 0.150 1
1 806 . 13 1 1 A 73 73 LYS HA H 73 3.781 3.868 -0.087 1
1 815 . 13 1 1 A 73 73 LYS C C 73 176.957 175.496 1.461 1
1 816 . 13 1 1 A 73 73 LYS CA C 73 57.074 55.593 1.481 1
1 817 . 13 1 1 A 73 73 LYS CB C 73 32.567 32.225 0.342 1
1 821 . 13 1 1 A 73 73 LYS N N 73 120.065 118.109 1.956 1
1 822 . 13 1 1 A 74 74 LYS H H 74 7.705 8.543 -0.838 1
1 823 . 13 1 1 A 74 74 LYS HA H 74 4.154 4.552 -0.398 1
1 830 . 13 1 1 A 74 74 LYS C C 74 176.836 176.108 0.728 1
1 831 . 13 1 1 A 74 74 LYS CA C 74 57.028 55.591 1.437 1
1 832 . 13 1 1 A 74 74 LYS CB C 74 32.402 32.994 -0.592 1
1 836 . 13 1 1 A 74 74 LYS N N 74 120.036 125.159 -5.123 1
1 837 . 13 1 1 A 75 75 SER H H 75 7.986 8.727 -0.741 1
1 838 . 13 1 1 A 75 75 SER HA H 75 4.470 4.921 -0.451 1
1 841 . 13 1 1 A 75 75 SER C C 75 174.530 174.114 0.416 1
1 842 . 13 1 1 A 75 75 SER CA C 75 58.786 56.897 1.889 1
1 843 . 13 1 1 A 75 75 SER CB C 75 63.975 64.085 -0.110 1
1 844 . 13 1 1 A 75 75 SER N N 75 115.488 120.423 -4.935 1
1 845 . 13 1 1 A 76 76 GLY H H 76 8.040 8.399 -0.359 1
1 846 . 13 1 1 A 76 76 GLY HA2 H 76 4.076 4.011 0.065 1
1 847 . 13 1 1 A 76 76 GLY HA3 H 76 4.099 4.012 0.087 1
1 848 . 13 1 1 A 76 76 GLY C C 76 171.835 174.315 -2.480 1
1 849 . 13 1 1 A 76 76 GLY CA C 76 44.789 46.711 -1.922 1
1 850 . 13 1 1 A 76 76 GLY N N 76 110.454 110.868 -0.414 1
1 851 . 13 1 1 A 77 77 PRO HA H 77 4.456 4.685 -0.229 1
1 856 . 13 1 1 A 77 77 PRO CA C 77 63.323 62.722 0.601 1
1 857 . 13 1 1 A 77 77 PRO CB C 77 32.209 32.776 -0.567 1
1 860 . 13 1 1 A 79 79 SER HA H 79 4.506 5.095 -0.589 1
1 863 . 13 1 1 A 79 79 SER C C 79 173.947 173.256 0.691 1
1 864 . 13 1 1 A 79 79 SER CA C 79 58.433 58.171 0.262 1
1 865 . 13 1 1 A 79 79 SER CB C 79 63.960 67.833 -3.873 1
1 1 . 14 1 1 A 7 7 GLY HA2 H 7 4.014 3.815 0.199 1
1 2 . 14 1 1 A 7 7 GLY HA3 H 7 4.014 3.815 0.199 1
1 3 . 14 1 1 A 7 7 GLY C C 7 174.578 174.264 0.314 1
1 4 . 14 1 1 A 7 7 GLY CA C 7 45.445 46.590 -1.145 1
1 5 . 14 1 1 A 8 8 GLY H H 8 8.219 8.500 -0.281 1
1 6 . 14 1 1 A 8 8 GLY HA2 H 8 3.959 4.276 -0.317 1
1 7 . 14 1 1 A 8 8 GLY HA3 H 8 3.959 4.276 -0.317 1
1 8 . 14 1 1 A 8 8 GLY C C 8 173.898 171.653 2.245 1
1 9 . 14 1 1 A 8 8 GLY CA C 8 44.923 46.088 -1.165 1
1 10 . 14 1 1 A 8 8 GLY N N 8 108.655 110.163 -1.508 1
1 11 . 14 1 1 A 9 9 GLU H H 9 8.378 8.898 -0.520 1
1 12 . 14 1 1 A 9 9 GLU HA H 9 4.586 5.008 -0.422 1
1 16 . 14 1 1 A 9 9 GLU C C 9 175.015 174.011 1.004 1
1 17 . 14 1 1 A 9 9 GLU CA C 9 54.661 54.142 0.519 1
1 18 . 14 1 1 A 9 9 GLU CB C 9 29.534 33.042 -3.508 1
1 20 . 14 1 1 A 9 9 GLU N N 9 121.838 116.718 5.120 1
1 21 . 14 1 1 A 10 10 PRO HA H 10 4.428 4.491 -0.063 1
1 28 . 14 1 1 A 10 10 PRO C C 10 177.856 175.961 1.895 1
1 29 . 14 1 1 A 10 10 PRO CA C 10 63.767 62.557 1.210 1
1 30 . 14 1 1 A 10 10 PRO CB C 10 32.080 33.215 -1.135 1
1 33 . 14 1 1 A 11 11 GLY H H 11 8.556 8.349 0.207 1
1 34 . 14 1 1 A 11 11 GLY HA2 H 11 3.997 4.271 -0.274 1
1 35 . 14 1 1 A 11 11 GLY HA3 H 11 3.997 4.272 -0.275 1
1 36 . 14 1 1 A 11 11 GLY C C 11 174.724 173.633 1.091 1
1 37 . 14 1 1 A 11 11 GLY CA C 11 45.529 44.925 0.604 1
1 38 . 14 1 1 A 11 11 GLY N N 11 108.931 106.787 2.144 1
1 39 . 14 1 1 A 12 12 THR H H 12 7.973 8.834 -0.861 1
1 40 . 14 1 1 A 12 12 THR HA H 12 4.306 4.830 -0.524 1
1 45 . 14 1 1 A 12 12 THR C C 12 174.942 173.597 1.345 1
1 46 . 14 1 1 A 12 12 THR CA C 12 62.240 61.555 0.685 1
1 47 . 14 1 1 A 12 12 THR CB C 12 69.882 70.742 -0.860 1
1 49 . 14 1 1 A 12 12 THR N N 12 113.454 114.840 -1.386 1
1 50 . 14 1 1 A 13 13 LYS H H 13 8.313 8.726 -0.413 1
1 51 . 14 1 1 A 13 13 LYS HA H 13 4.281 4.849 -0.568 1
1 58 . 14 1 1 A 13 13 LYS C C 13 176.520 174.557 1.963 1
1 59 . 14 1 1 A 13 13 LYS CA C 13 56.565 55.829 0.736 1
1 60 . 14 1 1 A 13 13 LYS CB C 13 32.590 36.312 -3.722 1
1 64 . 14 1 1 A 13 13 LYS N N 13 123.479 121.028 2.451 1
1 65 . 14 1 1 A 14 14 ALA H H 14 8.192 8.438 -0.246 1
1 66 . 14 1 1 A 14 14 ALA HA H 14 4.272 4.900 -0.628 1
1 70 . 14 1 1 A 14 14 ALA C C 14 177.807 175.918 1.889 1
1 71 . 14 1 1 A 14 14 ALA CA C 14 52.581 51.644 0.937 1
1 72 . 14 1 1 A 14 14 ALA CB C 14 19.258 23.015 -3.757 1
1 73 . 14 1 1 A 14 14 ALA N N 14 124.692 124.512 0.180 1
1 74 . 14 1 1 A 15 15 LYS H H 15 8.264 8.827 -0.563 1
1 75 . 14 1 1 A 15 15 LYS HA H 15 4.296 5.042 -0.746 1
1 81 . 14 1 1 A 15 15 LYS C C 15 176.812 175.632 1.180 1
1 82 . 14 1 1 A 15 15 LYS CA C 15 56.403 54.661 1.742 1
1 83 . 14 1 1 A 15 15 LYS CB C 15 32.979 35.892 -2.913 1
1 87 . 14 1 1 A 15 15 LYS N N 15 120.979 119.719 1.260 1
1 88 . 14 1 1 A 16 16 LYS H H 16 8.330 8.646 -0.316 1
1 89 . 14 1 1 A 16 16 LYS HA H 16 4.289 4.355 -0.066 1
1 93 . 14 1 1 A 16 16 LYS C C 16 177.103 176.600 0.503 1
1 94 . 14 1 1 A 16 16 LYS CB C 16 33.072 33.479 -0.407 1
1 98 . 14 1 1 A 16 16 LYS N N 16 122.581 121.959 0.622 1
1 99 . 14 1 1 A 22 22 THR HA H 22 4.294 5.062 -0.768 1
1 104 . 14 1 1 A 22 22 THR C C 22 174.020 172.637 1.383 1
1 105 . 14 1 1 A 22 22 THR CA C 22 61.928 61.140 0.788 1
1 106 . 14 1 1 A 22 22 THR CB C 22 69.730 72.236 -2.506 1
1 108 . 14 1 1 A 23 23 VAL H H 23 8.087 9.028 -0.941 1
1 109 . 14 1 1 A 23 23 VAL HA H 23 4.112 4.896 -0.784 1
1 117 . 14 1 1 A 23 23 VAL C C 23 175.646 174.122 1.524 1
1 118 . 14 1 1 A 23 23 VAL CA C 23 62.011 59.686 2.325 1
1 119 . 14 1 1 A 23 23 VAL CB C 23 33.060 34.502 -1.442 1
1 122 . 14 1 1 A 23 23 VAL N N 23 123.252 126.928 -3.676 1
1 123 . 14 1 1 A 24 24 PHE H H 24 8.220 8.998 -0.778 1
1 124 . 14 1 1 A 24 24 PHE HA H 24 4.976 4.945 0.031 1
1 132 . 14 1 1 A 24 24 PHE C C 24 176.739 175.805 0.934 1
1 133 . 14 1 1 A 24 24 PHE CA C 24 56.389 57.607 -1.218 1
1 134 . 14 1 1 A 24 24 PHE CB C 24 40.492 40.026 0.466 1
1 140 . 14 1 1 A 24 24 PHE N N 24 123.332 123.592 -0.260 1
1 141 . 14 1 1 A 25 25 THR H H 25 9.003 8.847 0.156 1
1 142 . 14 1 1 A 25 25 THR HA H 25 4.470 4.735 -0.265 1
1 147 . 14 1 1 A 25 25 THR C C 25 175.209 176.213 -1.004 1
1 148 . 14 1 1 A 25 25 THR CA C 25 60.598 60.731 -0.133 1
1 149 . 14 1 1 A 25 25 THR CB C 25 70.801 70.861 -0.060 1
1 151 . 14 1 1 A 25 25 THR N N 25 113.078 115.150 -2.072 1
1 152 . 14 1 1 A 26 26 GLU H H 26 8.991 9.173 -0.182 1
1 153 . 14 1 1 A 26 26 GLU HA H 26 4.036 4.020 0.016 1
1 158 . 14 1 1 A 26 26 GLU C C 26 179.118 178.912 0.206 1
1 159 . 14 1 1 A 26 26 GLU CA C 26 60.222 59.427 0.795 1
1 160 . 14 1 1 A 26 26 GLU CB C 26 29.271 29.311 -0.040 1
1 162 . 14 1 1 A 26 26 GLU N N 26 120.978 121.701 -0.723 1
1 163 . 14 1 1 A 27 27 LEU H H 27 8.120 8.144 -0.024 1
1 164 . 14 1 1 A 27 27 LEU HA H 27 4.117 4.014 0.103 1
1 174 . 14 1 1 A 27 27 LEU C C 27 180.623 178.844 1.779 1
1 175 . 14 1 1 A 27 27 LEU CA C 27 58.187 58.085 0.102 1
1 176 . 14 1 1 A 27 27 LEU CB C 27 42.220 41.984 0.236 1
1 180 . 14 1 1 A 27 27 LEU N N 27 118.897 121.168 -2.271 1
1 181 . 14 1 1 A 28 28 GLN H H 28 7.733 8.066 -0.333 1
1 182 . 14 1 1 A 28 28 GLN HA H 28 3.864 3.970 -0.106 1
1 189 . 14 1 1 A 28 28 GLN C C 28 177.492 178.995 -1.503 1
1 190 . 14 1 1 A 28 28 GLN CA C 28 59.212 58.809 0.403 1
1 191 . 14 1 1 A 28 28 GLN CB C 28 27.740 28.251 -0.511 1
1 193 . 14 1 1 A 28 28 GLN N N 28 119.947 117.809 2.138 1
1 195 . 14 1 1 A 29 29 LEU H H 29 8.336 8.500 -0.164 1
1 196 . 14 1 1 A 29 29 LEU HA H 29 3.665 3.880 -0.215 1
1 206 . 14 1 1 A 29 29 LEU C C 29 179.118 178.758 0.360 1
1 207 . 14 1 1 A 29 29 LEU CA C 29 58.068 57.808 0.260 1
1 208 . 14 1 1 A 29 29 LEU CB C 29 41.582 41.509 0.073 1
1 212 . 14 1 1 A 29 29 LEU N N 29 118.154 119.495 -1.341 1
1 213 . 14 1 1 A 30 30 MET H H 30 8.282 8.252 0.030 1
1 214 . 14 1 1 A 30 30 MET HA H 30 4.118 4.087 0.031 1
1 222 . 14 1 1 A 30 30 MET C C 30 179.070 178.826 0.244 1
1 223 . 14 1 1 A 30 30 MET CA C 30 58.583 58.501 0.082 1
1 224 . 14 1 1 A 30 30 MET CB C 30 32.665 32.286 0.379 1
1 227 . 14 1 1 A 30 30 MET N N 30 117.314 118.847 -1.533 1
1 228 . 14 1 1 A 31 31 GLY H H 31 7.904 8.078 -0.174 1
1 229 . 14 1 1 A 31 31 GLY HA2 H 31 3.787 3.626 0.161 1
1 230 . 14 1 1 A 31 31 GLY HA3 H 31 3.631 3.641 -0.010 1
1 231 . 14 1 1 A 31 31 GLY C C 31 176.618 175.081 1.537 1
1 232 . 14 1 1 A 31 31 GLY CA C 31 47.231 47.005 0.226 1
1 233 . 14 1 1 A 31 31 GLY N N 31 107.053 106.381 0.672 1
1 234 . 14 1 1 A 32 32 LEU H H 32 7.982 8.457 -0.475 1
1 235 . 14 1 1 A 32 32 LEU HA H 32 3.577 3.681 -0.104 1
1 245 . 14 1 1 A 32 32 LEU C C 32 177.564 179.227 -1.663 1
1 246 . 14 1 1 A 32 32 LEU CA C 32 58.318 57.447 0.871 1
1 247 . 14 1 1 A 32 32 LEU CB C 32 38.280 40.582 -2.302 1
1 251 . 14 1 1 A 32 32 LEU N N 32 125.323 122.399 2.924 1
1 252 . 14 1 1 A 33 33 GLU H H 33 8.054 8.067 -0.013 1
1 253 . 14 1 1 A 33 33 GLU HA H 33 4.283 3.997 0.286 1
1 258 . 14 1 1 A 33 33 GLU C C 33 180.041 179.319 0.722 1
1 259 . 14 1 1 A 33 33 GLU CA C 33 59.157 59.625 -0.468 1
1 260 . 14 1 1 A 33 33 GLU CB C 33 29.155 29.471 -0.316 1
1 262 . 14 1 1 A 33 33 GLU N N 33 118.448 117.225 1.223 1
1 263 . 14 1 1 A 34 34 LYS H H 34 8.229 7.526 0.703 1
1 264 . 14 1 1 A 34 34 LYS HA H 34 4.099 4.009 0.090 1
1 271 . 14 1 1 A 34 34 LYS C C 34 179.822 178.540 1.282 1
1 272 . 14 1 1 A 34 34 LYS CA C 34 58.789 59.757 -0.968 1
1 273 . 14 1 1 A 34 34 LYS CB C 34 32.073 32.371 -0.298 1
1 277 . 14 1 1 A 34 34 LYS N N 34 118.230 121.301 -3.071 1
1 278 . 14 1 1 A 35 35 ARG H H 35 7.560 7.904 -0.344 1
1 279 . 14 1 1 A 35 35 ARG HA H 35 4.190 4.028 0.162 1
1 286 . 14 1 1 A 35 35 ARG C C 35 178.001 178.598 -0.597 1
1 287 . 14 1 1 A 35 35 ARG CA C 35 57.095 59.394 -2.299 1
1 288 . 14 1 1 A 35 35 ARG CB C 35 28.882 30.063 -1.181 1
1 291 . 14 1 1 A 35 35 ARG N N 35 120.162 118.435 1.727 1
1 292 . 14 1 1 A 36 36 PHE H H 36 8.810 7.988 0.822 1
1 293 . 14 1 1 A 36 36 PHE HA H 36 4.227 4.103 0.124 1
1 301 . 14 1 1 A 36 36 PHE C C 36 176.520 176.970 -0.450 1
1 302 . 14 1 1 A 36 36 PHE CA C 36 60.886 61.832 -0.946 1
1 303 . 14 1 1 A 36 36 PHE CB C 36 39.333 38.708 0.625 1
1 309 . 14 1 1 A 36 36 PHE N N 36 122.860 120.521 2.339 1
1 310 . 14 1 1 A 37 37 GLU H H 37 7.772 8.564 -0.792 1
1 311 . 14 1 1 A 37 37 GLU HA H 37 3.701 4.026 -0.325 1
1 316 . 14 1 1 A 37 37 GLU C C 37 177.297 179.321 -2.024 1
1 317 . 14 1 1 A 37 37 GLU CA C 37 59.036 59.857 -0.821 1
1 318 . 14 1 1 A 37 37 GLU CB C 37 29.981 29.244 0.737 1
1 320 . 14 1 1 A 37 37 GLU N N 37 116.313 117.844 -1.531 1
1 321 . 14 1 1 A 38 38 LYS H H 38 7.005 7.706 -0.701 1
1 322 . 14 1 1 A 38 38 LYS HA H 38 4.280 4.170 0.110 1
1 329 . 14 1 1 A 38 38 LYS C C 38 177.079 176.430 0.649 1
1 330 . 14 1 1 A 38 38 LYS CA C 38 56.741 59.123 -2.382 1
1 331 . 14 1 1 A 38 38 LYS CB C 38 34.301 32.550 1.751 1
1 335 . 14 1 1 A 38 38 LYS N N 38 114.632 119.663 -5.031 1
1 336 . 14 1 1 A 39 39 GLN H H 39 8.641 8.198 0.443 1
1 337 . 14 1 1 A 39 39 GLN HA H 39 4.509 4.547 -0.038 1
1 344 . 14 1 1 A 39 39 GLN C C 39 173.340 175.773 -2.433 1
1 345 . 14 1 1 A 39 39 GLN CA C 39 55.527 54.420 1.107 1
1 346 . 14 1 1 A 39 39 GLN CB C 39 31.827 31.347 0.480 1
1 348 . 14 1 1 A 39 39 GLN N N 39 120.830 118.402 2.428 1
1 350 . 14 1 1 A 40 40 LYS H H 40 8.474 8.474 0.000 1
1 351 . 14 1 1 A 40 40 LYS HA H 40 3.598 3.101 0.497 1
1 360 . 14 1 1 A 40 40 LYS C C 40 174.530 175.317 -0.787 1
1 361 . 14 1 1 A 40 40 LYS CA C 40 56.459 57.856 -1.397 1
1 362 . 14 1 1 A 40 40 LYS CB C 40 32.276 31.919 0.357 1
1 366 . 14 1 1 A 40 40 LYS N N 40 125.122 125.232 -0.110 1
1 367 . 14 1 1 A 41 41 TYR H H 41 7.513 7.497 0.016 1
1 368 . 14 1 1 A 41 41 TYR HA H 41 4.537 5.060 -0.523 1
1 375 . 14 1 1 A 41 41 TYR C C 41 174.700 174.309 0.391 1
1 376 . 14 1 1 A 41 41 TYR CA C 41 56.743 56.392 0.351 1
1 377 . 14 1 1 A 41 41 TYR CB C 41 41.274 43.210 -1.936 1
1 382 . 14 1 1 A 41 41 TYR N N 41 113.703 116.988 -3.285 1
1 383 . 14 1 1 A 42 42 LEU H H 42 8.544 8.776 -0.232 1
1 384 . 14 1 1 A 42 42 LEU HA H 42 4.610 4.831 -0.221 1
1 394 . 14 1 1 A 42 42 LEU C C 42 177.273 175.538 1.735 1
1 395 . 14 1 1 A 42 42 LEU CA C 42 53.408 53.320 0.088 1
1 396 . 14 1 1 A 42 42 LEU CB C 42 44.040 45.483 -1.443 1
1 400 . 14 1 1 A 42 42 LEU N N 42 123.003 121.830 1.173 1
1 401 . 14 1 1 A 43 43 SER H H 43 8.651 8.732 -0.081 1
1 402 . 14 1 1 A 43 43 SER HA H 43 4.621 4.556 0.065 1
1 405 . 14 1 1 A 43 43 SER C C 43 174.530 175.294 -0.764 1
1 406 . 14 1 1 A 43 43 SER CA C 43 57.053 58.343 -1.290 1
1 407 . 14 1 1 A 43 43 SER CB C 43 64.786 64.170 0.616 1
1 408 . 14 1 1 A 43 43 SER N N 43 118.850 119.666 -0.816 1
1 409 . 14 1 1 A 44 44 THR H H 44 9.159 8.812 0.347 1
1 410 . 14 1 1 A 44 44 THR HA H 44 4.428 3.987 0.441 1
1 415 . 14 1 1 A 44 44 THR C C 44 175.428 173.425 2.003 1
1 416 . 14 1 1 A 44 44 THR CA C 44 66.563 67.668 -1.105 1
1 417 . 14 1 1 A 44 44 THR CB C 44 69.210 67.784 1.426 1
1 419 . 14 1 1 A 44 44 THR N N 44 117.903 121.076 -3.173 1
1 420 . 14 1 1 A 45 45 PRO HA H 45 4.188 4.294 -0.106 1
1 427 . 14 1 1 A 45 45 PRO C C 45 179.312 178.763 0.549 1
1 428 . 14 1 1 A 45 45 PRO CA C 45 66.163 66.352 -0.189 1
1 429 . 14 1 1 A 45 45 PRO CB C 45 30.975 30.546 0.429 1
1 432 . 14 1 1 A 46 46 ASP H H 46 7.289 8.416 -1.127 1
1 433 . 14 1 1 A 46 46 ASP HA H 46 4.387 4.271 0.116 1
1 436 . 14 1 1 A 46 46 ASP C C 46 178.390 178.712 -0.322 1
1 437 . 14 1 1 A 46 46 ASP CA C 46 56.974 57.542 -0.568 1
1 438 . 14 1 1 A 46 46 ASP CB C 46 41.498 40.125 1.373 1
1 439 . 14 1 1 A 46 46 ASP N N 46 117.060 117.416 -0.356 1
1 440 . 14 1 1 A 47 47 ARG H H 47 8.493 7.759 0.734 1
1 441 . 14 1 1 A 47 47 ARG HA H 47 3.754 4.014 -0.260 1
1 448 . 14 1 1 A 47 47 ARG C C 47 177.880 178.753 -0.873 1
1 449 . 14 1 1 A 47 47 ARG CA C 47 60.123 58.632 1.491 1
1 450 . 14 1 1 A 47 47 ARG CB C 47 30.355 29.959 0.396 1
1 453 . 14 1 1 A 47 47 ARG N N 47 122.143 120.096 2.047 1
1 454 . 14 1 1 A 48 48 ILE H H 48 8.219 7.916 0.303 1
1 455 . 14 1 1 A 48 48 ILE HA H 48 3.475 3.614 -0.139 1
1 465 . 14 1 1 A 48 48 ILE C C 48 178.026 177.744 0.282 1
1 466 . 14 1 1 A 48 48 ILE CA C 48 66.105 65.448 0.657 1
1 467 . 14 1 1 A 48 48 ILE CB C 48 38.440 38.160 0.280 1
1 471 . 14 1 1 A 48 48 ILE N N 48 119.888 120.120 -0.232 1
1 472 . 14 1 1 A 49 49 ASP H H 49 7.775 8.546 -0.771 1
1 473 . 14 1 1 A 49 49 ASP HA H 49 4.406 4.275 0.131 1
1 476 . 14 1 1 A 49 49 ASP C C 49 178.900 177.955 0.945 1
1 477 . 14 1 1 A 49 49 ASP CA C 49 57.380 57.443 -0.063 1
1 478 . 14 1 1 A 49 49 ASP CB C 49 41.523 41.377 0.146 1
1 479 . 14 1 1 A 49 49 ASP N N 49 119.245 120.340 -1.095 1
1 480 . 14 1 1 A 50 50 LEU H H 50 8.344 7.954 0.390 1
1 481 . 14 1 1 A 50 50 LEU HA H 50 4.090 3.988 0.102 1
1 491 . 14 1 1 A 50 50 LEU C C 50 178.705 178.306 0.399 1
1 492 . 14 1 1 A 50 50 LEU CA C 50 57.651 58.350 -0.699 1
1 493 . 14 1 1 A 50 50 LEU CB C 50 42.526 42.027 0.499 1
1 497 . 14 1 1 A 50 50 LEU N N 50 121.649 120.413 1.236 1
1 498 . 14 1 1 A 51 51 ALA H H 51 8.513 8.289 0.224 1
1 499 . 14 1 1 A 51 51 ALA HA H 51 3.611 3.973 -0.362 1
1 503 . 14 1 1 A 51 51 ALA C C 51 179.749 179.723 0.026 1
1 504 . 14 1 1 A 51 51 ALA CA C 51 56.139 55.168 0.971 1
1 505 . 14 1 1 A 51 51 ALA CB C 51 17.519 18.287 -0.768 1
1 506 . 14 1 1 A 51 51 ALA N N 51 120.902 120.144 0.758 1
1 507 . 14 1 1 A 52 52 GLU H H 52 8.285 7.819 0.466 1
1 508 . 14 1 1 A 52 52 GLU HA H 52 4.097 4.123 -0.026 1
1 513 . 14 1 1 A 52 52 GLU C C 52 180.114 179.227 0.887 1
1 514 . 14 1 1 A 52 52 GLU CA C 52 59.307 59.216 0.091 1
1 515 . 14 1 1 A 52 52 GLU CB C 52 29.408 29.381 0.027 1
1 517 . 14 1 1 A 52 52 GLU N N 52 116.933 118.453 -1.520 1
1 518 . 14 1 1 A 53 53 SER H H 53 8.229 8.154 0.075 1
1 519 . 14 1 1 A 53 53 SER HA H 53 4.251 4.092 0.159 1
1 522 . 14 1 1 A 53 53 SER C C 53 176.059 175.816 0.243 1
1 523 . 14 1 1 A 53 53 SER CA C 53 61.347 62.298 -0.951 1
1 524 . 14 1 1 A 53 53 SER CB C 53 63.235 63.091 0.144 1
1 525 . 14 1 1 A 53 53 SER N N 53 114.615 117.502 -2.887 1
1 526 . 14 1 1 A 54 54 LEU H H 54 7.675 7.618 0.057 1
1 527 . 14 1 1 A 54 54 LEU HA H 54 4.513 4.330 0.183 1
1 537 . 14 1 1 A 54 54 LEU C C 54 177.516 177.078 0.438 1
1 538 . 14 1 1 A 54 54 LEU CA C 54 54.422 55.114 -0.692 1
1 539 . 14 1 1 A 54 54 LEU CB C 54 43.880 42.597 1.283 1
1 543 . 14 1 1 A 54 54 LEU N N 54 117.401 117.611 -0.210 1
1 544 . 14 1 1 A 55 55 GLY H H 55 7.941 7.774 0.167 1
1 545 . 14 1 1 A 55 55 GLY HA2 H 55 3.982 3.930 0.052 1
1 546 . 14 1 1 A 55 55 GLY HA3 H 55 4.026 3.932 0.094 1
1 547 . 14 1 1 A 55 55 GLY C C 55 174.360 174.389 -0.029 1
1 548 . 14 1 1 A 55 55 GLY CA C 55 46.728 44.904 1.824 1
1 549 . 14 1 1 A 55 55 GLY N N 55 111.061 105.897 5.164 1
1 550 . 14 1 1 A 56 56 LEU H H 56 8.190 7.837 0.353 1
1 551 . 14 1 1 A 56 56 LEU HA H 56 4.803 4.529 0.274 1
1 561 . 14 1 1 A 56 56 LEU C C 56 175.914 175.774 0.140 1
1 562 . 14 1 1 A 56 56 LEU CA C 56 52.510 54.487 -1.977 1
1 563 . 14 1 1 A 56 56 LEU CB C 56 47.484 42.684 4.800 1
1 567 . 14 1 1 A 56 56 LEU N N 56 119.967 122.395 -2.428 1
1 568 . 14 1 1 A 57 57 SER H H 57 9.037 8.377 0.660 1
1 569 . 14 1 1 A 57 57 SER HA H 57 4.423 4.870 -0.447 1
1 572 . 14 1 1 A 57 57 SER C C 57 176.618 175.326 1.292 1
1 573 . 14 1 1 A 57 57 SER CA C 57 56.189 56.045 0.144 1
1 574 . 14 1 1 A 57 57 SER CB C 57 65.579 65.389 0.190 1
1 575 . 14 1 1 A 57 57 SER N N 57 115.098 115.837 -0.739 1
1 576 . 14 1 1 A 58 58 GLN HA H 58 3.741 3.971 -0.230 1
1 583 . 14 1 1 A 58 58 GLN C C 58 177.904 178.265 -0.361 1
1 584 . 14 1 1 A 58 58 GLN CA C 58 60.504 58.857 1.647 1
1 585 . 14 1 1 A 58 58 GLN CB C 58 28.365 28.202 0.163 1
1 588 . 14 1 1 A 59 59 LEU H H 59 8.207 8.030 0.177 1
1 589 . 14 1 1 A 59 59 LEU HA H 59 4.192 4.065 0.127 1
1 599 . 14 1 1 A 59 59 LEU C C 59 179.871 178.837 1.034 1
1 600 . 14 1 1 A 59 59 LEU CA C 59 57.878 58.097 -0.219 1
1 601 . 14 1 1 A 59 59 LEU CB C 59 41.747 41.964 -0.217 1
1 605 . 14 1 1 A 59 59 LEU N N 59 120.246 122.138 -1.892 1
1 606 . 14 1 1 A 60 60 GLN H H 60 8.125 8.253 -0.128 1
1 607 . 14 1 1 A 60 60 GLN HA H 60 4.214 4.198 0.016 1
1 614 . 14 1 1 A 60 60 GLN C C 60 179.434 178.840 0.594 1
1 615 . 14 1 1 A 60 60 GLN CA C 60 59.530 59.246 0.284 1
1 616 . 14 1 1 A 60 60 GLN CB C 60 29.651 28.619 1.032 1
1 618 . 14 1 1 A 60 60 GLN N N 60 120.637 117.772 2.865 1
1 620 . 14 1 1 A 61 61 VAL H H 61 7.717 7.642 0.075 1
1 621 . 14 1 1 A 61 61 VAL HA H 61 3.673 3.730 -0.057 1
1 629 . 14 1 1 A 61 61 VAL C C 61 176.982 177.958 -0.976 1
1 630 . 14 1 1 A 61 61 VAL CA C 61 67.670 66.887 0.783 1
1 631 . 14 1 1 A 61 61 VAL CB C 61 31.899 31.489 0.410 1
1 634 . 14 1 1 A 61 61 VAL N N 61 118.389 120.159 -1.770 1
1 635 . 14 1 1 A 62 62 LYS H H 62 8.578 7.819 0.759 1
1 636 . 14 1 1 A 62 62 LYS HA H 62 4.423 4.081 0.342 1
1 644 . 14 1 1 A 62 62 LYS C C 62 179.749 179.006 0.743 1
1 645 . 14 1 1 A 62 62 LYS CA C 62 59.821 59.813 0.008 1
1 646 . 14 1 1 A 62 62 LYS CB C 62 33.793 32.492 1.301 1
1 650 . 14 1 1 A 62 62 LYS N N 62 120.540 120.528 0.012 1
1 651 . 14 1 1 A 63 63 THR H H 63 8.722 8.459 0.263 1
1 652 . 14 1 1 A 63 63 THR HA H 63 4.007 3.994 0.013 1
1 657 . 14 1 1 A 63 63 THR C C 63 176.059 176.703 -0.644 1
1 658 . 14 1 1 A 63 63 THR CA C 63 66.527 67.022 -0.495 1
1 659 . 14 1 1 A 63 63 THR CB C 63 69.236 68.582 0.654 1
1 661 . 14 1 1 A 63 63 THR N N 63 115.962 114.592 1.370 1
1 662 . 14 1 1 A 64 64 TRP H H 64 8.506 8.754 -0.248 1
1 663 . 14 1 1 A 64 64 TRP HA H 64 4.064 4.216 -0.152 1
1 672 . 14 1 1 A 64 64 TRP C C 64 179.264 177.986 1.278 1
1 673 . 14 1 1 A 64 64 TRP CA C 64 63.070 61.122 1.948 1
1 674 . 14 1 1 A 64 64 TRP CB C 64 29.048 29.711 -0.663 1
1 680 . 14 1 1 A 64 64 TRP N N 64 123.609 121.153 2.456 1
1 682 . 14 1 1 A 65 65 TYR H H 65 9.152 8.897 0.255 1
1 683 . 14 1 1 A 65 65 TYR HA H 65 3.660 4.710 -1.050 1
1 690 . 14 1 1 A 65 65 TYR C C 65 178.535 178.357 0.178 1
1 691 . 14 1 1 A 65 65 TYR CA C 65 63.749 61.944 1.805 1
1 692 . 14 1 1 A 65 65 TYR CB C 65 39.082 38.588 0.494 1
1 697 . 14 1 1 A 65 65 TYR N N 65 121.400 118.928 2.472 1
1 698 . 14 1 1 A 66 66 GLN H H 66 7.981 8.289 -0.308 1
1 699 . 14 1 1 A 66 66 GLN HA H 66 4.036 4.169 -0.133 1
1 706 . 14 1 1 A 66 66 GLN C C 66 179.045 178.436 0.609 1
1 707 . 14 1 1 A 66 66 GLN CA C 66 59.255 59.160 0.095 1
1 708 . 14 1 1 A 66 66 GLN CB C 66 28.207 28.813 -0.606 1
1 710 . 14 1 1 A 66 66 GLN N N 66 116.821 119.349 -2.528 1
1 712 . 14 1 1 A 67 67 ASN H H 67 7.862 8.229 -0.367 1
1 713 . 14 1 1 A 67 67 ASN HA H 67 4.367 4.364 0.003 1
1 718 . 14 1 1 A 67 67 ASN C C 67 177.759 178.293 -0.534 1
1 719 . 14 1 1 A 67 67 ASN CA C 67 55.852 55.817 0.035 1
1 720 . 14 1 1 A 67 67 ASN CB C 67 38.119 37.891 0.228 1
1 721 . 14 1 1 A 67 67 ASN N N 67 118.257 117.189 1.068 1
1 723 . 14 1 1 A 68 68 ARG H H 68 8.533 8.168 0.365 1
1 724 . 14 1 1 A 68 68 ARG HA H 68 3.430 3.790 -0.360 1
1 732 . 14 1 1 A 68 68 ARG C C 68 179.992 178.780 1.212 1
1 733 . 14 1 1 A 68 68 ARG CA C 68 56.391 58.738 -2.347 1
1 734 . 14 1 1 A 68 68 ARG CB C 68 27.959 29.101 -1.142 1
1 737 . 14 1 1 A 68 68 ARG N N 68 123.922 119.968 3.954 1
1 739 . 14 1 1 A 69 69 ARG H H 69 8.226 8.347 -0.121 1
1 740 . 14 1 1 A 69 69 ARG HA H 69 4.357 4.378 -0.021 1
1 747 . 14 1 1 A 69 69 ARG C C 69 178.535 179.300 -0.765 1
1 748 . 14 1 1 A 69 69 ARG CA C 69 60.681 59.589 1.092 1
1 749 . 14 1 1 A 69 69 ARG CB C 69 31.938 30.166 1.772 1
1 752 . 14 1 1 A 69 69 ARG N N 69 118.839 119.401 -0.562 1
1 753 . 14 1 1 A 70 70 MET H H 70 7.480 8.176 -0.696 1
1 754 . 14 1 1 A 70 70 MET HA H 70 4.287 4.076 0.211 1
1 762 . 14 1 1 A 70 70 MET C C 70 178.098 178.746 -0.648 1
1 763 . 14 1 1 A 70 70 MET CA C 70 58.381 59.132 -0.751 1
1 764 . 14 1 1 A 70 70 MET CB C 70 32.011 32.539 -0.528 1
1 767 . 14 1 1 A 70 70 MET N N 70 118.164 119.930 -1.766 1
1 768 . 14 1 1 A 71 71 LYS H H 71 7.298 7.804 -0.506 1
1 769 . 14 1 1 A 71 71 LYS HA H 71 4.086 4.009 0.077 1
1 778 . 14 1 1 A 71 71 LYS C C 71 177.831 178.315 -0.484 1
1 779 . 14 1 1 A 71 71 LYS CA C 71 58.324 59.041 -0.717 1
1 780 . 14 1 1 A 71 71 LYS CB C 71 32.732 32.037 0.695 1
1 784 . 14 1 1 A 71 71 LYS N N 71 118.798 119.531 -0.733 1
1 785 . 14 1 1 A 72 72 TRP H H 72 7.952 8.247 -0.295 1
1 786 . 14 1 1 A 72 72 TRP HA H 72 4.721 4.196 0.525 1
1 795 . 14 1 1 A 72 72 TRP C C 72 177.152 176.658 0.494 1
1 796 . 14 1 1 A 72 72 TRP CA C 72 58.506 60.744 -2.238 1
1 797 . 14 1 1 A 72 72 TRP CB C 72 29.602 30.008 -0.406 1
1 803 . 14 1 1 A 72 72 TRP N N 72 121.455 121.871 -0.416 1
1 805 . 14 1 1 A 73 73 LYS H H 73 8.241 8.130 0.111 1
1 806 . 14 1 1 A 73 73 LYS HA H 73 3.781 3.850 -0.069 1
1 815 . 14 1 1 A 73 73 LYS C C 73 176.957 175.702 1.255 1
1 816 . 14 1 1 A 73 73 LYS CA C 73 57.074 56.203 0.871 1
1 817 . 14 1 1 A 73 73 LYS CB C 73 32.567 33.068 -0.501 1
1 821 . 14 1 1 A 73 73 LYS N N 73 120.065 118.040 2.025 1
1 822 . 14 1 1 A 74 74 LYS H H 74 7.705 8.331 -0.626 1
1 823 . 14 1 1 A 74 74 LYS HA H 74 4.154 4.835 -0.681 1
1 830 . 14 1 1 A 74 74 LYS C C 74 176.836 176.729 0.107 1
1 831 . 14 1 1 A 74 74 LYS CA C 74 57.028 54.090 2.938 1
1 832 . 14 1 1 A 74 74 LYS CB C 74 32.402 35.127 -2.725 1
1 836 . 14 1 1 A 74 74 LYS N N 74 120.036 121.646 -1.610 1
1 837 . 14 1 1 A 75 75 SER H H 75 7.986 8.949 -0.963 1
1 838 . 14 1 1 A 75 75 SER HA H 75 4.470 4.432 0.038 1
1 841 . 14 1 1 A 75 75 SER C C 75 174.530 174.412 0.118 1
1 842 . 14 1 1 A 75 75 SER CA C 75 58.786 60.639 -1.853 1
1 843 . 14 1 1 A 75 75 SER CB C 75 63.975 63.473 0.502 1
1 844 . 14 1 1 A 75 75 SER N N 75 115.488 114.609 0.879 1
1 845 . 14 1 1 A 76 76 GLY H H 76 8.040 7.554 0.486 1
1 846 . 14 1 1 A 76 76 GLY HA2 H 76 4.076 3.971 0.105 1
1 847 . 14 1 1 A 76 76 GLY HA3 H 76 4.099 3.979 0.120 1
1 848 . 14 1 1 A 76 76 GLY C C 76 171.835 174.675 -2.840 1
1 849 . 14 1 1 A 76 76 GLY CA C 76 44.789 45.427 -0.638 1
1 850 . 14 1 1 A 76 76 GLY N N 76 110.454 106.879 3.575 1
1 851 . 14 1 1 A 77 77 PRO HA H 77 4.456 4.588 -0.132 1
1 856 . 14 1 1 A 77 77 PRO CA C 77 63.323 62.817 0.506 1
1 857 . 14 1 1 A 77 77 PRO CB C 77 32.209 31.561 0.648 1
1 860 . 14 1 1 A 79 79 SER HA H 79 4.506 4.065 0.441 1
1 863 . 14 1 1 A 79 79 SER C C 79 173.947 173.489 0.458 1
1 864 . 14 1 1 A 79 79 SER CA C 79 58.433 59.195 -0.762 1
1 865 . 14 1 1 A 79 79 SER CB C 79 63.960 62.165 1.795 1
1 1 . 15 1 1 A 7 7 GLY HA2 H 7 4.014 4.142 -0.128 1
1 2 . 15 1 1 A 7 7 GLY HA3 H 7 4.014 4.142 -0.128 1
1 3 . 15 1 1 A 7 7 GLY C C 7 174.578 171.801 2.777 1
1 4 . 15 1 1 A 7 7 GLY CA C 7 45.445 45.640 -0.195 1
1 5 . 15 1 1 A 8 8 GLY H H 8 8.219 8.435 -0.216 1
1 6 . 15 1 1 A 8 8 GLY HA2 H 8 3.959 4.148 -0.189 1
1 7 . 15 1 1 A 8 8 GLY HA3 H 8 3.959 4.148 -0.189 1
1 8 . 15 1 1 A 8 8 GLY C C 8 173.898 171.798 2.100 1
1 9 . 15 1 1 A 8 8 GLY CA C 8 44.923 45.413 -0.490 1
1 10 . 15 1 1 A 8 8 GLY N N 8 108.655 106.706 1.949 1
1 11 . 15 1 1 A 9 9 GLU H H 9 8.378 8.646 -0.268 1
1 12 . 15 1 1 A 9 9 GLU HA H 9 4.586 4.904 -0.318 1
1 16 . 15 1 1 A 9 9 GLU C C 9 175.015 174.195 0.820 1
1 17 . 15 1 1 A 9 9 GLU CA C 9 54.661 53.191 1.470 1
1 18 . 15 1 1 A 9 9 GLU CB C 9 29.534 32.699 -3.165 1
1 20 . 15 1 1 A 9 9 GLU N N 9 121.838 120.029 1.809 1
1 21 . 15 1 1 A 10 10 PRO HA H 10 4.428 4.437 -0.009 1
1 28 . 15 1 1 A 10 10 PRO C C 10 177.856 176.108 1.748 1
1 29 . 15 1 1 A 10 10 PRO CA C 10 63.767 63.028 0.739 1
1 30 . 15 1 1 A 10 10 PRO CB C 10 32.080 32.962 -0.882 1
1 33 . 15 1 1 A 11 11 GLY H H 11 8.556 8.256 0.300 1
1 34 . 15 1 1 A 11 11 GLY HA2 H 11 3.997 4.156 -0.159 1
1 35 . 15 1 1 A 11 11 GLY HA3 H 11 3.997 4.156 -0.159 1
1 36 . 15 1 1 A 11 11 GLY C C 11 174.724 172.379 2.345 1
1 37 . 15 1 1 A 11 11 GLY CA C 11 45.529 45.141 0.388 1
1 38 . 15 1 1 A 11 11 GLY N N 11 108.931 108.348 0.583 1
1 39 . 15 1 1 A 12 12 THR H H 12 7.973 8.933 -0.960 1
1 40 . 15 1 1 A 12 12 THR HA H 12 4.306 5.196 -0.890 1
1 45 . 15 1 1 A 12 12 THR C C 12 174.942 173.047 1.895 1
1 46 . 15 1 1 A 12 12 THR CA C 12 62.240 60.562 1.678 1
1 47 . 15 1 1 A 12 12 THR CB C 12 69.882 70.139 -0.257 1
1 49 . 15 1 1 A 12 12 THR N N 12 113.454 116.929 -3.475 1
1 50 . 15 1 1 A 13 13 LYS H H 13 8.313 8.407 -0.094 1
1 51 . 15 1 1 A 13 13 LYS HA H 13 4.281 4.731 -0.450 1
1 58 . 15 1 1 A 13 13 LYS C C 13 176.520 174.649 1.871 1
1 59 . 15 1 1 A 13 13 LYS CA C 13 56.565 56.167 0.398 1
1 60 . 15 1 1 A 13 13 LYS CB C 13 32.590 35.700 -3.110 1
1 64 . 15 1 1 A 13 13 LYS N N 13 123.479 126.259 -2.780 1
1 65 . 15 1 1 A 14 14 ALA H H 14 8.192 8.740 -0.548 1
1 66 . 15 1 1 A 14 14 ALA HA H 14 4.272 4.922 -0.650 1
1 70 . 15 1 1 A 14 14 ALA C C 14 177.807 175.531 2.276 1
1 71 . 15 1 1 A 14 14 ALA CA C 14 52.581 51.493 1.088 1
1 72 . 15 1 1 A 14 14 ALA CB C 14 19.258 23.270 -4.012 1
1 73 . 15 1 1 A 14 14 ALA N N 14 124.692 126.758 -2.066 1
1 74 . 15 1 1 A 15 15 LYS H H 15 8.264 8.651 -0.387 1
1 75 . 15 1 1 A 15 15 LYS HA H 15 4.296 4.838 -0.542 1
1 81 . 15 1 1 A 15 15 LYS C C 15 176.812 175.474 1.338 1
1 82 . 15 1 1 A 15 15 LYS CA C 15 56.403 54.987 1.416 1
1 83 . 15 1 1 A 15 15 LYS CB C 15 32.979 33.513 -0.534 1
1 87 . 15 1 1 A 15 15 LYS N N 15 120.979 120.920 0.059 1
1 88 . 15 1 1 A 16 16 LYS H H 16 8.330 8.703 -0.373 1
1 89 . 15 1 1 A 16 16 LYS HA H 16 4.289 4.570 -0.281 1
1 93 . 15 1 1 A 16 16 LYS C C 16 177.103 176.540 0.563 1
1 94 . 15 1 1 A 16 16 LYS CB C 16 33.072 34.221 -1.149 1
1 98 . 15 1 1 A 16 16 LYS N N 16 122.581 124.188 -1.607 1
1 99 . 15 1 1 A 22 22 THR HA H 22 4.294 4.472 -0.178 1
1 104 . 15 1 1 A 22 22 THR C C 22 174.020 175.008 -0.988 1
1 105 . 15 1 1 A 22 22 THR CA C 22 61.928 62.616 -0.688 1
1 106 . 15 1 1 A 22 22 THR CB C 22 69.730 69.833 -0.103 1
1 108 . 15 1 1 A 23 23 VAL H H 23 8.087 9.353 -1.266 1
1 109 . 15 1 1 A 23 23 VAL HA H 23 4.112 4.340 -0.228 1
1 117 . 15 1 1 A 23 23 VAL C C 23 175.646 174.678 0.968 1
1 118 . 15 1 1 A 23 23 VAL CA C 23 62.011 61.375 0.636 1
1 119 . 15 1 1 A 23 23 VAL CB C 23 33.060 31.346 1.714 1
1 122 . 15 1 1 A 23 23 VAL N N 23 123.252 125.808 -2.556 1
1 123 . 15 1 1 A 24 24 PHE H H 24 8.220 7.962 0.258 1
1 124 . 15 1 1 A 24 24 PHE HA H 24 4.976 5.059 -0.083 1
1 132 . 15 1 1 A 24 24 PHE C C 24 176.739 174.930 1.809 1
1 133 . 15 1 1 A 24 24 PHE CA C 24 56.389 56.078 0.311 1
1 134 . 15 1 1 A 24 24 PHE CB C 24 40.492 42.030 -1.538 1
1 140 . 15 1 1 A 24 24 PHE N N 24 123.332 121.804 1.528 1
1 141 . 15 1 1 A 25 25 THR H H 25 9.003 8.552 0.451 1
1 142 . 15 1 1 A 25 25 THR HA H 25 4.470 4.717 -0.247 1
1 147 . 15 1 1 A 25 25 THR C C 25 175.209 175.576 -0.367 1
1 148 . 15 1 1 A 25 25 THR CA C 25 60.598 60.008 0.590 1
1 149 . 15 1 1 A 25 25 THR CB C 25 70.801 70.583 0.218 1
1 151 . 15 1 1 A 25 25 THR N N 25 113.078 115.955 -2.877 1
1 152 . 15 1 1 A 26 26 GLU H H 26 8.991 9.014 -0.023 1
1 153 . 15 1 1 A 26 26 GLU HA H 26 4.036 3.972 0.064 1
1 158 . 15 1 1 A 26 26 GLU C C 26 179.118 178.656 0.462 1
1 159 . 15 1 1 A 26 26 GLU CA C 26 60.222 59.894 0.328 1
1 160 . 15 1 1 A 26 26 GLU CB C 26 29.271 29.376 -0.105 1
1 162 . 15 1 1 A 26 26 GLU N N 26 120.978 126.986 -6.008 1
1 163 . 15 1 1 A 27 27 LEU H H 27 8.120 8.155 -0.035 1
1 164 . 15 1 1 A 27 27 LEU HA H 27 4.117 3.964 0.153 1
1 174 . 15 1 1 A 27 27 LEU C C 27 180.623 178.378 2.245 1
1 175 . 15 1 1 A 27 27 LEU CA C 27 58.187 58.635 -0.448 1
1 176 . 15 1 1 A 27 27 LEU CB C 27 42.220 41.932 0.288 1
1 180 . 15 1 1 A 27 27 LEU N N 27 118.897 121.787 -2.890 1
1 181 . 15 1 1 A 28 28 GLN H H 28 7.733 8.340 -0.607 1
1 182 . 15 1 1 A 28 28 GLN HA H 28 3.864 3.954 -0.090 1
1 189 . 15 1 1 A 28 28 GLN C C 28 177.492 178.647 -1.155 1
1 190 . 15 1 1 A 28 28 GLN CA C 28 59.212 58.823 0.389 1
1 191 . 15 1 1 A 28 28 GLN CB C 28 27.740 28.088 -0.348 1
1 193 . 15 1 1 A 28 28 GLN N N 28 119.947 117.767 2.180 1
1 195 . 15 1 1 A 29 29 LEU H H 29 8.336 8.503 -0.167 1
1 196 . 15 1 1 A 29 29 LEU HA H 29 3.665 3.751 -0.086 1
1 206 . 15 1 1 A 29 29 LEU C C 29 179.118 178.770 0.348 1
1 207 . 15 1 1 A 29 29 LEU CA C 29 58.068 57.846 0.222 1
1 208 . 15 1 1 A 29 29 LEU CB C 29 41.582 41.344 0.238 1
1 212 . 15 1 1 A 29 29 LEU N N 29 118.154 120.140 -1.986 1
1 213 . 15 1 1 A 30 30 MET H H 30 8.282 8.602 -0.320 1
1 214 . 15 1 1 A 30 30 MET HA H 30 4.118 4.045 0.073 1
1 222 . 15 1 1 A 30 30 MET C C 30 179.070 178.783 0.287 1
1 223 . 15 1 1 A 30 30 MET CA C 30 58.583 58.672 -0.089 1
1 224 . 15 1 1 A 30 30 MET CB C 30 32.665 32.337 0.328 1
1 227 . 15 1 1 A 30 30 MET N N 30 117.314 118.722 -1.408 1
1 228 . 15 1 1 A 31 31 GLY H H 31 7.904 8.241 -0.337 1
1 229 . 15 1 1 A 31 31 GLY HA2 H 31 3.787 3.718 0.069 1
1 230 . 15 1 1 A 31 31 GLY HA3 H 31 3.631 3.732 -0.101 1
1 231 . 15 1 1 A 31 31 GLY C C 31 176.618 175.459 1.159 1
1 232 . 15 1 1 A 31 31 GLY CA C 31 47.231 47.236 -0.005 1
1 233 . 15 1 1 A 31 31 GLY N N 31 107.053 107.215 -0.162 1
1 234 . 15 1 1 A 32 32 LEU H H 32 7.982 8.510 -0.528 1
1 235 . 15 1 1 A 32 32 LEU HA H 32 3.577 3.915 -0.338 1
1 245 . 15 1 1 A 32 32 LEU C C 32 177.564 179.525 -1.961 1
1 246 . 15 1 1 A 32 32 LEU CA C 32 58.318 57.711 0.607 1
1 247 . 15 1 1 A 32 32 LEU CB C 32 38.280 40.726 -2.446 1
1 251 . 15 1 1 A 32 32 LEU N N 32 125.323 122.838 2.485 1
1 252 . 15 1 1 A 33 33 GLU H H 33 8.054 8.373 -0.319 1
1 253 . 15 1 1 A 33 33 GLU HA H 33 4.283 4.150 0.133 1
1 258 . 15 1 1 A 33 33 GLU C C 33 180.041 179.583 0.458 1
1 259 . 15 1 1 A 33 33 GLU CA C 33 59.157 59.644 -0.487 1
1 260 . 15 1 1 A 33 33 GLU CB C 33 29.155 29.174 -0.019 1
1 262 . 15 1 1 A 33 33 GLU N N 33 118.448 117.518 0.930 1
1 263 . 15 1 1 A 34 34 LYS H H 34 8.229 7.570 0.659 1
1 264 . 15 1 1 A 34 34 LYS HA H 34 4.099 3.985 0.114 1
1 271 . 15 1 1 A 34 34 LYS C C 34 179.822 178.915 0.907 1
1 272 . 15 1 1 A 34 34 LYS CA C 34 58.789 59.713 -0.924 1
1 273 . 15 1 1 A 34 34 LYS CB C 34 32.073 32.154 -0.081 1
1 277 . 15 1 1 A 34 34 LYS N N 34 118.230 121.463 -3.233 1
1 278 . 15 1 1 A 35 35 ARG H H 35 7.560 7.851 -0.291 1
1 279 . 15 1 1 A 35 35 ARG HA H 35 4.190 4.071 0.119 1
1 286 . 15 1 1 A 35 35 ARG C C 35 178.001 178.623 -0.622 1
1 287 . 15 1 1 A 35 35 ARG CA C 35 57.095 59.410 -2.315 1
1 288 . 15 1 1 A 35 35 ARG CB C 35 28.882 30.075 -1.193 1
1 291 . 15 1 1 A 35 35 ARG N N 35 120.162 118.683 1.479 1
1 292 . 15 1 1 A 36 36 PHE H H 36 8.810 8.337 0.473 1
1 293 . 15 1 1 A 36 36 PHE HA H 36 4.227 4.001 0.226 1
1 301 . 15 1 1 A 36 36 PHE C C 36 176.520 176.945 -0.425 1
1 302 . 15 1 1 A 36 36 PHE CA C 36 60.886 61.812 -0.926 1
1 303 . 15 1 1 A 36 36 PHE CB C 36 39.333 38.670 0.663 1
1 309 . 15 1 1 A 36 36 PHE N N 36 122.860 120.578 2.282 1
1 310 . 15 1 1 A 37 37 GLU H H 37 7.772 8.309 -0.537 1
1 311 . 15 1 1 A 37 37 GLU HA H 37 3.701 3.962 -0.261 1
1 316 . 15 1 1 A 37 37 GLU C C 37 177.297 179.067 -1.770 1
1 317 . 15 1 1 A 37 37 GLU CA C 37 59.036 59.764 -0.728 1
1 318 . 15 1 1 A 37 37 GLU CB C 37 29.981 29.058 0.923 1
1 320 . 15 1 1 A 37 37 GLU N N 37 116.313 117.698 -1.385 1
1 321 . 15 1 1 A 38 38 LYS H H 38 7.005 7.650 -0.645 1
1 322 . 15 1 1 A 38 38 LYS HA H 38 4.280 4.138 0.142 1
1 329 . 15 1 1 A 38 38 LYS C C 38 177.079 176.828 0.251 1
1 330 . 15 1 1 A 38 38 LYS CA C 38 56.741 59.369 -2.628 1
1 331 . 15 1 1 A 38 38 LYS CB C 38 34.301 32.303 1.998 1
1 335 . 15 1 1 A 38 38 LYS N N 38 114.632 119.786 -5.154 1
1 336 . 15 1 1 A 39 39 GLN H H 39 8.641 8.135 0.506 1
1 337 . 15 1 1 A 39 39 GLN HA H 39 4.509 4.381 0.128 1
1 344 . 15 1 1 A 39 39 GLN C C 39 173.340 175.873 -2.533 1
1 345 . 15 1 1 A 39 39 GLN CA C 39 55.527 54.734 0.793 1
1 346 . 15 1 1 A 39 39 GLN CB C 39 31.827 29.074 2.753 1
1 348 . 15 1 1 A 39 39 GLN N N 39 120.830 118.249 2.581 1
1 350 . 15 1 1 A 40 40 LYS H H 40 8.474 8.148 0.326 1
1 351 . 15 1 1 A 40 40 LYS HA H 40 3.598 3.018 0.580 1
1 360 . 15 1 1 A 40 40 LYS C C 40 174.530 175.730 -1.200 1
1 361 . 15 1 1 A 40 40 LYS CA C 40 56.459 58.450 -1.991 1
1 362 . 15 1 1 A 40 40 LYS CB C 40 32.276 31.389 0.887 1
1 366 . 15 1 1 A 40 40 LYS N N 40 125.122 125.688 -0.566 1
1 367 . 15 1 1 A 41 41 TYR H H 41 7.513 7.291 0.222 1
1 368 . 15 1 1 A 41 41 TYR HA H 41 4.537 5.137 -0.600 1
1 375 . 15 1 1 A 41 41 TYR C C 41 174.700 175.041 -0.341 1
1 376 . 15 1 1 A 41 41 TYR CA C 41 56.743 56.645 0.098 1
1 377 . 15 1 1 A 41 41 TYR CB C 41 41.274 41.890 -0.616 1
1 382 . 15 1 1 A 41 41 TYR N N 41 113.703 116.406 -2.703 1
1 383 . 15 1 1 A 42 42 LEU H H 42 8.544 8.639 -0.095 1
1 384 . 15 1 1 A 42 42 LEU HA H 42 4.610 4.331 0.279 1
1 394 . 15 1 1 A 42 42 LEU C C 42 177.273 177.415 -0.142 1
1 395 . 15 1 1 A 42 42 LEU CA C 42 53.408 54.537 -1.129 1
1 396 . 15 1 1 A 42 42 LEU CB C 42 44.040 42.127 1.913 1
1 400 . 15 1 1 A 42 42 LEU N N 42 123.003 126.163 -3.160 1
1 401 . 15 1 1 A 43 43 SER H H 43 8.651 8.941 -0.290 1
1 402 . 15 1 1 A 43 43 SER HA H 43 4.621 4.543 0.078 1
1 405 . 15 1 1 A 43 43 SER C C 43 174.530 175.905 -1.375 1
1 406 . 15 1 1 A 43 43 SER CA C 43 57.053 58.184 -1.131 1
1 407 . 15 1 1 A 43 43 SER CB C 43 64.786 64.300 0.486 1
1 408 . 15 1 1 A 43 43 SER N N 43 118.850 117.295 1.555 1
1 409 . 15 1 1 A 44 44 THR H H 44 9.159 8.792 0.367 1
1 410 . 15 1 1 A 44 44 THR HA H 44 4.428 3.989 0.439 1
1 415 . 15 1 1 A 44 44 THR C C 44 175.428 173.560 1.868 1
1 416 . 15 1 1 A 44 44 THR CA C 44 66.563 67.624 -1.061 1
1 417 . 15 1 1 A 44 44 THR CB C 44 69.210 67.276 1.934 1
1 419 . 15 1 1 A 44 44 THR N N 44 117.903 116.761 1.142 1
1 420 . 15 1 1 A 45 45 PRO HA H 45 4.188 4.298 -0.110 1
1 427 . 15 1 1 A 45 45 PRO C C 45 179.312 178.522 0.790 1
1 428 . 15 1 1 A 45 45 PRO CA C 45 66.163 66.287 -0.124 1
1 429 . 15 1 1 A 45 45 PRO CB C 45 30.975 30.507 0.468 1
1 432 . 15 1 1 A 46 46 ASP H H 46 7.289 8.253 -0.964 1
1 433 . 15 1 1 A 46 46 ASP HA H 46 4.387 4.334 0.053 1
1 436 . 15 1 1 A 46 46 ASP C C 46 178.390 177.922 0.468 1
1 437 . 15 1 1 A 46 46 ASP CA C 46 56.974 57.166 -0.192 1
1 438 . 15 1 1 A 46 46 ASP CB C 46 41.498 41.332 0.166 1
1 439 . 15 1 1 A 46 46 ASP N N 46 117.060 117.166 -0.106 1
1 440 . 15 1 1 A 47 47 ARG H H 47 8.493 7.632 0.861 1
1 441 . 15 1 1 A 47 47 ARG HA H 47 3.754 3.986 -0.232 1
1 448 . 15 1 1 A 47 47 ARG C C 47 177.880 178.651 -0.771 1
1 449 . 15 1 1 A 47 47 ARG CA C 47 60.123 58.738 1.385 1
1 450 . 15 1 1 A 47 47 ARG CB C 47 30.355 29.971 0.384 1
1 453 . 15 1 1 A 47 47 ARG N N 47 122.143 118.522 3.621 1
1 454 . 15 1 1 A 48 48 ILE H H 48 8.219 7.990 0.229 1
1 455 . 15 1 1 A 48 48 ILE HA H 48 3.475 3.605 -0.130 1
1 465 . 15 1 1 A 48 48 ILE C C 48 178.026 177.835 0.191 1
1 466 . 15 1 1 A 48 48 ILE CA C 48 66.105 65.418 0.687 1
1 467 . 15 1 1 A 48 48 ILE CB C 48 38.440 37.728 0.712 1
1 471 . 15 1 1 A 48 48 ILE N N 48 119.888 120.522 -0.634 1
1 472 . 15 1 1 A 49 49 ASP H H 49 7.775 8.216 -0.441 1
1 473 . 15 1 1 A 49 49 ASP HA H 49 4.406 4.276 0.130 1
1 476 . 15 1 1 A 49 49 ASP C C 49 178.900 178.298 0.602 1
1 477 . 15 1 1 A 49 49 ASP CA C 49 57.380 57.491 -0.111 1
1 478 . 15 1 1 A 49 49 ASP CB C 49 41.523 41.105 0.418 1
1 479 . 15 1 1 A 49 49 ASP N N 49 119.245 120.436 -1.191 1
1 480 . 15 1 1 A 50 50 LEU H H 50 8.344 7.736 0.608 1
1 481 . 15 1 1 A 50 50 LEU HA H 50 4.090 4.111 -0.021 1
1 491 . 15 1 1 A 50 50 LEU C C 50 178.705 178.348 0.357 1
1 492 . 15 1 1 A 50 50 LEU CA C 50 57.651 57.941 -0.290 1
1 493 . 15 1 1 A 50 50 LEU CB C 50 42.526 41.884 0.642 1
1 497 . 15 1 1 A 50 50 LEU N N 50 121.649 120.224 1.425 1
1 498 . 15 1 1 A 51 51 ALA H H 51 8.513 8.399 0.114 1
1 499 . 15 1 1 A 51 51 ALA HA H 51 3.611 4.019 -0.408 1
1 503 . 15 1 1 A 51 51 ALA C C 51 179.749 178.981 0.768 1
1 504 . 15 1 1 A 51 51 ALA CA C 51 56.139 54.572 1.567 1
1 505 . 15 1 1 A 51 51 ALA CB C 51 17.519 18.504 -0.985 1
1 506 . 15 1 1 A 51 51 ALA N N 51 120.902 120.503 0.399 1
1 507 . 15 1 1 A 52 52 GLU H H 52 8.285 7.583 0.702 1
1 508 . 15 1 1 A 52 52 GLU HA H 52 4.097 4.250 -0.153 1
1 513 . 15 1 1 A 52 52 GLU C C 52 180.114 179.072 1.042 1
1 514 . 15 1 1 A 52 52 GLU CA C 52 59.307 58.312 0.995 1
1 515 . 15 1 1 A 52 52 GLU CB C 52 29.408 29.902 -0.494 1
1 517 . 15 1 1 A 52 52 GLU N N 52 116.933 117.307 -0.374 1
1 518 . 15 1 1 A 53 53 SER H H 53 8.229 8.512 -0.283 1
1 519 . 15 1 1 A 53 53 SER HA H 53 4.251 4.151 0.100 1
1 522 . 15 1 1 A 53 53 SER C C 53 176.059 177.143 -1.084 1
1 523 . 15 1 1 A 53 53 SER CA C 53 61.347 61.399 -0.052 1
1 524 . 15 1 1 A 53 53 SER CB C 53 63.235 62.445 0.790 1
1 525 . 15 1 1 A 53 53 SER N N 53 114.615 115.244 -0.629 1
1 526 . 15 1 1 A 54 54 LEU H H 54 7.675 7.508 0.167 1
1 527 . 15 1 1 A 54 54 LEU HA H 54 4.513 4.322 0.191 1
1 537 . 15 1 1 A 54 54 LEU C C 54 177.516 177.103 0.413 1
1 538 . 15 1 1 A 54 54 LEU CA C 54 54.422 55.379 -0.957 1
1 539 . 15 1 1 A 54 54 LEU CB C 54 43.880 42.828 1.052 1
1 543 . 15 1 1 A 54 54 LEU N N 54 117.401 119.125 -1.724 1
1 544 . 15 1 1 A 55 55 GLY H H 55 7.941 7.628 0.313 1
1 545 . 15 1 1 A 55 55 GLY HA2 H 55 3.982 3.924 0.058 1
1 546 . 15 1 1 A 55 55 GLY HA3 H 55 4.026 3.928 0.098 1
1 547 . 15 1 1 A 55 55 GLY C C 55 174.360 174.579 -0.219 1
1 548 . 15 1 1 A 55 55 GLY CA C 55 46.728 45.587 1.141 1
1 549 . 15 1 1 A 55 55 GLY N N 55 111.061 106.367 4.694 1
1 550 . 15 1 1 A 56 56 LEU H H 56 8.190 7.819 0.371 1
1 551 . 15 1 1 A 56 56 LEU HA H 56 4.803 4.641 0.162 1
1 561 . 15 1 1 A 56 56 LEU C C 56 175.914 175.546 0.368 1
1 562 . 15 1 1 A 56 56 LEU CA C 56 52.510 53.785 -1.275 1
1 563 . 15 1 1 A 56 56 LEU CB C 56 47.484 42.771 4.713 1
1 567 . 15 1 1 A 56 56 LEU N N 56 119.967 121.732 -1.765 1
1 568 . 15 1 1 A 57 57 SER H H 57 9.037 8.532 0.505 1
1 569 . 15 1 1 A 57 57 SER HA H 57 4.423 4.886 -0.463 1
1 572 . 15 1 1 A 57 57 SER C C 57 176.618 175.608 1.010 1
1 573 . 15 1 1 A 57 57 SER CA C 57 56.189 56.219 -0.030 1
1 574 . 15 1 1 A 57 57 SER CB C 57 65.579 64.848 0.731 1
1 575 . 15 1 1 A 57 57 SER N N 57 115.098 115.995 -0.897 1
1 576 . 15 1 1 A 58 58 GLN HA H 58 3.741 3.956 -0.215 1
1 583 . 15 1 1 A 58 58 GLN C C 58 177.904 178.067 -0.163 1
1 584 . 15 1 1 A 58 58 GLN CA C 58 60.504 59.308 1.196 1
1 585 . 15 1 1 A 58 58 GLN CB C 58 28.365 28.411 -0.046 1
1 588 . 15 1 1 A 59 59 LEU H H 59 8.207 8.202 0.005 1
1 589 . 15 1 1 A 59 59 LEU HA H 59 4.192 4.071 0.121 1
1 599 . 15 1 1 A 59 59 LEU C C 59 179.871 178.523 1.348 1
1 600 . 15 1 1 A 59 59 LEU CA C 59 57.878 58.482 -0.604 1
1 601 . 15 1 1 A 59 59 LEU CB C 59 41.747 41.543 0.204 1
1 605 . 15 1 1 A 59 59 LEU N N 59 120.246 122.065 -1.819 1
1 606 . 15 1 1 A 60 60 GLN H H 60 8.125 8.345 -0.220 1
1 607 . 15 1 1 A 60 60 GLN HA H 60 4.214 4.230 -0.016 1
1 614 . 15 1 1 A 60 60 GLN C C 60 179.434 178.867 0.567 1
1 615 . 15 1 1 A 60 60 GLN CA C 60 59.530 58.985 0.545 1
1 616 . 15 1 1 A 60 60 GLN CB C 60 29.651 28.687 0.964 1
1 618 . 15 1 1 A 60 60 GLN N N 60 120.637 117.954 2.683 1
1 620 . 15 1 1 A 61 61 VAL H H 61 7.717 8.123 -0.406 1
1 621 . 15 1 1 A 61 61 VAL HA H 61 3.673 3.936 -0.263 1
1 629 . 15 1 1 A 61 61 VAL C C 61 176.982 178.243 -1.261 1
1 630 . 15 1 1 A 61 61 VAL CA C 61 67.670 66.942 0.728 1
1 631 . 15 1 1 A 61 61 VAL CB C 61 31.899 31.549 0.350 1
1 634 . 15 1 1 A 61 61 VAL N N 61 118.389 120.122 -1.733 1
1 635 . 15 1 1 A 62 62 LYS H H 62 8.578 8.106 0.472 1
1 636 . 15 1 1 A 62 62 LYS HA H 62 4.423 4.062 0.361 1
1 644 . 15 1 1 A 62 62 LYS C C 62 179.749 178.854 0.895 1
1 645 . 15 1 1 A 62 62 LYS CA C 62 59.821 59.918 -0.097 1
1 646 . 15 1 1 A 62 62 LYS CB C 62 33.793 32.723 1.070 1
1 650 . 15 1 1 A 62 62 LYS N N 62 120.540 120.475 0.065 1
1 651 . 15 1 1 A 63 63 THR H H 63 8.722 8.528 0.194 1
1 652 . 15 1 1 A 63 63 THR HA H 63 4.007 4.041 -0.034 1
1 657 . 15 1 1 A 63 63 THR C C 63 176.059 176.588 -0.529 1
1 658 . 15 1 1 A 63 63 THR CA C 63 66.527 67.051 -0.524 1
1 659 . 15 1 1 A 63 63 THR CB C 63 69.236 68.752 0.484 1
1 661 . 15 1 1 A 63 63 THR N N 63 115.962 114.555 1.407 1
1 662 . 15 1 1 A 64 64 TRP H H 64 8.506 8.804 -0.298 1
1 663 . 15 1 1 A 64 64 TRP HA H 64 4.064 4.196 -0.132 1
1 672 . 15 1 1 A 64 64 TRP C C 64 179.264 178.009 1.255 1
1 673 . 15 1 1 A 64 64 TRP CA C 64 63.070 61.081 1.989 1
1 674 . 15 1 1 A 64 64 TRP CB C 64 29.048 29.630 -0.582 1
1 680 . 15 1 1 A 64 64 TRP N N 64 123.609 121.281 2.328 1
1 682 . 15 1 1 A 65 65 TYR H H 65 9.152 8.439 0.713 1
1 683 . 15 1 1 A 65 65 TYR HA H 65 3.660 4.424 -0.764 1
1 690 . 15 1 1 A 65 65 TYR C C 65 178.535 178.533 0.002 1
1 691 . 15 1 1 A 65 65 TYR CA C 65 63.749 61.755 1.994 1
1 692 . 15 1 1 A 65 65 TYR CB C 65 39.082 38.646 0.436 1
1 697 . 15 1 1 A 65 65 TYR N N 65 121.400 118.655 2.745 1
1 698 . 15 1 1 A 66 66 GLN H H 66 7.981 8.245 -0.264 1
1 699 . 15 1 1 A 66 66 GLN HA H 66 4.036 4.018 0.018 1
1 706 . 15 1 1 A 66 66 GLN C C 66 179.045 178.675 0.370 1
1 707 . 15 1 1 A 66 66 GLN CA C 66 59.255 59.451 -0.196 1
1 708 . 15 1 1 A 66 66 GLN CB C 66 28.207 28.325 -0.118 1
1 710 . 15 1 1 A 66 66 GLN N N 66 116.821 119.373 -2.552 1
1 712 . 15 1 1 A 67 67 ASN H H 67 7.862 8.248 -0.386 1
1 713 . 15 1 1 A 67 67 ASN HA H 67 4.367 4.446 -0.079 1
1 718 . 15 1 1 A 67 67 ASN C C 67 177.759 178.148 -0.389 1
1 719 . 15 1 1 A 67 67 ASN CA C 67 55.852 56.210 -0.358 1
1 720 . 15 1 1 A 67 67 ASN CB C 67 38.119 37.620 0.499 1
1 721 . 15 1 1 A 67 67 ASN N N 67 118.257 118.291 -0.034 1
1 723 . 15 1 1 A 68 68 ARG H H 68 8.533 7.992 0.541 1
1 724 . 15 1 1 A 68 68 ARG HA H 68 3.430 3.673 -0.243 1
1 732 . 15 1 1 A 68 68 ARG C C 68 179.992 179.078 0.914 1
1 733 . 15 1 1 A 68 68 ARG CA C 68 56.391 59.501 -3.110 1
1 734 . 15 1 1 A 68 68 ARG CB C 68 27.959 29.073 -1.114 1
1 737 . 15 1 1 A 68 68 ARG N N 68 123.922 119.688 4.234 1
1 739 . 15 1 1 A 69 69 ARG H H 69 8.226 8.083 0.143 1
1 740 . 15 1 1 A 69 69 ARG HA H 69 4.357 4.372 -0.015 1
1 747 . 15 1 1 A 69 69 ARG C C 69 178.535 179.195 -0.660 1
1 748 . 15 1 1 A 69 69 ARG CA C 69 60.681 59.538 1.143 1
1 749 . 15 1 1 A 69 69 ARG CB C 69 31.938 30.278 1.660 1
1 752 . 15 1 1 A 69 69 ARG N N 69 118.839 119.801 -0.962 1
1 753 . 15 1 1 A 70 70 MET H H 70 7.480 7.835 -0.355 1
1 754 . 15 1 1 A 70 70 MET HA H 70 4.287 4.046 0.241 1
1 762 . 15 1 1 A 70 70 MET C C 70 178.098 178.686 -0.588 1
1 763 . 15 1 1 A 70 70 MET CA C 70 58.381 58.943 -0.562 1
1 764 . 15 1 1 A 70 70 MET CB C 70 32.011 32.285 -0.274 1
1 767 . 15 1 1 A 70 70 MET N N 70 118.164 120.042 -1.878 1
1 768 . 15 1 1 A 71 71 LYS H H 71 7.298 7.815 -0.517 1
1 769 . 15 1 1 A 71 71 LYS HA H 71 4.086 3.993 0.093 1
1 778 . 15 1 1 A 71 71 LYS C C 71 177.831 178.661 -0.830 1
1 779 . 15 1 1 A 71 71 LYS CA C 71 58.324 58.861 -0.537 1
1 780 . 15 1 1 A 71 71 LYS CB C 71 32.732 31.869 0.863 1
1 784 . 15 1 1 A 71 71 LYS N N 71 118.798 119.639 -0.841 1
1 785 . 15 1 1 A 72 72 TRP H H 72 7.952 8.351 -0.399 1
1 786 . 15 1 1 A 72 72 TRP HA H 72 4.721 4.128 0.593 1
1 795 . 15 1 1 A 72 72 TRP C C 72 177.152 177.133 0.019 1
1 796 . 15 1 1 A 72 72 TRP CA C 72 58.506 60.800 -2.294 1
1 797 . 15 1 1 A 72 72 TRP CB C 72 29.602 29.931 -0.329 1
1 803 . 15 1 1 A 72 72 TRP N N 72 121.455 122.288 -0.833 1
1 805 . 15 1 1 A 73 73 LYS H H 73 8.241 7.909 0.332 1
1 806 . 15 1 1 A 73 73 LYS HA H 73 3.781 3.748 0.033 1
1 815 . 15 1 1 A 73 73 LYS C C 73 176.957 177.382 -0.425 1
1 816 . 15 1 1 A 73 73 LYS CA C 73 57.074 56.080 0.994 1
1 817 . 15 1 1 A 73 73 LYS CB C 73 32.567 32.475 0.092 1
1 821 . 15 1 1 A 73 73 LYS N N 73 120.065 118.536 1.529 1
1 822 . 15 1 1 A 74 74 LYS H H 74 7.705 8.212 -0.507 1
1 823 . 15 1 1 A 74 74 LYS HA H 74 4.154 3.763 0.391 1
1 830 . 15 1 1 A 74 74 LYS C C 74 176.836 176.592 0.244 1
1 831 . 15 1 1 A 74 74 LYS CA C 74 57.028 59.752 -2.724 1
1 832 . 15 1 1 A 74 74 LYS CB C 74 32.402 32.151 0.251 1
1 836 . 15 1 1 A 74 74 LYS N N 74 120.036 124.511 -4.475 1
1 837 . 15 1 1 A 75 75 SER H H 75 7.986 7.846 0.140 1
1 838 . 15 1 1 A 75 75 SER HA H 75 4.470 4.805 -0.335 1
1 841 . 15 1 1 A 75 75 SER C C 75 174.530 174.196 0.334 1
1 842 . 15 1 1 A 75 75 SER CA C 75 58.786 56.517 2.269 1
1 843 . 15 1 1 A 75 75 SER CB C 75 63.975 65.962 -1.987 1
1 844 . 15 1 1 A 75 75 SER N N 75 115.488 110.824 4.664 1
1 845 . 15 1 1 A 76 76 GLY H H 76 8.040 8.318 -0.278 1
1 846 . 15 1 1 A 76 76 GLY HA2 H 76 4.076 4.221 -0.145 1
1 847 . 15 1 1 A 76 76 GLY HA3 H 76 4.099 4.225 -0.126 1
1 848 . 15 1 1 A 76 76 GLY C C 76 171.835 174.265 -2.430 1
1 849 . 15 1 1 A 76 76 GLY CA C 76 44.789 44.892 -0.103 1
1 850 . 15 1 1 A 76 76 GLY N N 76 110.454 107.259 3.195 1
1 851 . 15 1 1 A 77 77 PRO HA H 77 4.456 4.521 -0.065 1
1 856 . 15 1 1 A 77 77 PRO CA C 77 63.323 63.709 -0.386 1
1 857 . 15 1 1 A 77 77 PRO CB C 77 32.209 31.975 0.234 1
1 860 . 15 1 1 A 79 79 SER HA H 79 4.506 4.631 -0.125 1
1 863 . 15 1 1 A 79 79 SER C C 79 173.947 175.060 -1.113 1
1 864 . 15 1 1 A 79 79 SER CA C 79 58.433 58.535 -0.102 1
1 865 . 15 1 1 A 79 79 SER CB C 79 63.960 64.404 -0.444 1
1 1 . 16 1 1 A 7 7 GLY HA2 H 7 4.014 4.375 -0.361 1
1 2 . 16 1 1 A 7 7 GLY HA3 H 7 4.014 4.378 -0.364 1
1 3 . 16 1 1 A 7 7 GLY C C 7 174.578 172.732 1.846 1
1 4 . 16 1 1 A 7 7 GLY CA C 7 45.445 45.690 -0.245 1
1 5 . 16 1 1 A 8 8 GLY H H 8 8.219 8.446 -0.227 1
1 6 . 16 1 1 A 8 8 GLY HA2 H 8 3.959 4.236 -0.277 1
1 7 . 16 1 1 A 8 8 GLY HA3 H 8 3.959 4.237 -0.278 1
1 8 . 16 1 1 A 8 8 GLY C C 8 173.898 171.711 2.187 1
1 9 . 16 1 1 A 8 8 GLY CA C 8 44.923 45.640 -0.717 1
1 10 . 16 1 1 A 8 8 GLY N N 8 108.655 107.886 0.769 1
1 11 . 16 1 1 A 9 9 GLU H H 9 8.378 8.814 -0.436 1
1 12 . 16 1 1 A 9 9 GLU HA H 9 4.586 5.006 -0.420 1
1 16 . 16 1 1 A 9 9 GLU C C 9 175.015 173.433 1.582 1
1 17 . 16 1 1 A 9 9 GLU CA C 9 54.661 53.815 0.846 1
1 18 . 16 1 1 A 9 9 GLU CB C 9 29.534 30.502 -0.968 1
1 20 . 16 1 1 A 9 9 GLU N N 9 121.838 123.894 -2.056 1
1 21 . 16 1 1 A 10 10 PRO HA H 10 4.428 4.483 -0.055 1
1 28 . 16 1 1 A 10 10 PRO C C 10 177.856 176.271 1.585 1
1 29 . 16 1 1 A 10 10 PRO CA C 10 63.767 62.639 1.128 1
1 30 . 16 1 1 A 10 10 PRO CB C 10 32.080 32.283 -0.203 1
1 33 . 16 1 1 A 11 11 GLY H H 11 8.556 8.621 -0.065 1
1 34 . 16 1 1 A 11 11 GLY HA2 H 11 3.997 4.034 -0.037 1
1 35 . 16 1 1 A 11 11 GLY HA3 H 11 3.997 4.038 -0.041 1
1 36 . 16 1 1 A 11 11 GLY C C 11 174.724 172.911 1.813 1
1 37 . 16 1 1 A 11 11 GLY CA C 11 45.529 45.264 0.265 1
1 38 . 16 1 1 A 11 11 GLY N N 11 108.931 108.028 0.903 1
1 39 . 16 1 1 A 12 12 THR H H 12 7.973 8.387 -0.414 1
1 40 . 16 1 1 A 12 12 THR HA H 12 4.306 5.030 -0.724 1
1 45 . 16 1 1 A 12 12 THR C C 12 174.942 175.252 -0.310 1
1 46 . 16 1 1 A 12 12 THR CA C 12 62.240 60.297 1.943 1
1 47 . 16 1 1 A 12 12 THR CB C 12 69.882 71.456 -1.574 1
1 49 . 16 1 1 A 12 12 THR N N 12 113.454 114.177 -0.723 1
1 50 . 16 1 1 A 13 13 LYS H H 13 8.313 8.667 -0.354 1
1 51 . 16 1 1 A 13 13 LYS HA H 13 4.281 4.016 0.265 1
1 58 . 16 1 1 A 13 13 LYS C C 13 176.520 176.570 -0.050 1
1 59 . 16 1 1 A 13 13 LYS CA C 13 56.565 58.997 -2.432 1
1 60 . 16 1 1 A 13 13 LYS CB C 13 32.590 31.764 0.826 1
1 64 . 16 1 1 A 13 13 LYS N N 13 123.479 124.140 -0.661 1
1 65 . 16 1 1 A 14 14 ALA H H 14 8.192 7.924 0.268 1
1 66 . 16 1 1 A 14 14 ALA HA H 14 4.272 4.032 0.240 1
1 70 . 16 1 1 A 14 14 ALA C C 14 177.807 176.239 1.568 1
1 71 . 16 1 1 A 14 14 ALA CA C 14 52.581 53.042 -0.461 1
1 72 . 16 1 1 A 14 14 ALA CB C 14 19.258 17.274 1.984 1
1 73 . 16 1 1 A 14 14 ALA N N 14 124.692 120.258 4.434 1
1 74 . 16 1 1 A 15 15 LYS H H 15 8.264 7.793 0.471 1
1 75 . 16 1 1 A 15 15 LYS HA H 15 4.296 4.524 -0.228 1
1 81 . 16 1 1 A 15 15 LYS C C 15 176.812 176.964 -0.152 1
1 82 . 16 1 1 A 15 15 LYS CA C 15 56.403 55.036 1.367 1
1 83 . 16 1 1 A 15 15 LYS CB C 15 32.979 33.003 -0.024 1
1 87 . 16 1 1 A 15 15 LYS N N 15 120.979 118.021 2.958 1
1 88 . 16 1 1 A 16 16 LYS H H 16 8.330 8.341 -0.011 1
1 89 . 16 1 1 A 16 16 LYS HA H 16 4.289 3.992 0.297 1
1 93 . 16 1 1 A 16 16 LYS C C 16 177.103 176.524 0.579 1
1 94 . 16 1 1 A 16 16 LYS CB C 16 33.072 32.667 0.405 1
1 98 . 16 1 1 A 16 16 LYS N N 16 122.581 124.313 -1.732 1
1 99 . 16 1 1 A 22 22 THR HA H 22 4.294 4.728 -0.434 1
1 104 . 16 1 1 A 22 22 THR C C 22 174.020 172.122 1.898 1
1 105 . 16 1 1 A 22 22 THR CA C 22 61.928 60.852 1.076 1
1 106 . 16 1 1 A 22 22 THR CB C 22 69.730 70.509 -0.779 1
1 108 . 16 1 1 A 23 23 VAL H H 23 8.087 8.540 -0.453 1
1 109 . 16 1 1 A 23 23 VAL HA H 23 4.112 4.798 -0.686 1
1 117 . 16 1 1 A 23 23 VAL C C 23 175.646 173.527 2.119 1
1 118 . 16 1 1 A 23 23 VAL CA C 23 62.011 59.791 2.220 1
1 119 . 16 1 1 A 23 23 VAL CB C 23 33.060 35.855 -2.795 1
1 122 . 16 1 1 A 23 23 VAL N N 23 123.252 121.022 2.230 1
1 123 . 16 1 1 A 24 24 PHE H H 24 8.220 8.898 -0.678 1
1 124 . 16 1 1 A 24 24 PHE HA H 24 4.976 5.335 -0.359 1
1 132 . 16 1 1 A 24 24 PHE C C 24 176.739 175.418 1.321 1
1 133 . 16 1 1 A 24 24 PHE CA C 24 56.389 57.480 -1.091 1
1 134 . 16 1 1 A 24 24 PHE CB C 24 40.492 41.366 -0.874 1
1 140 . 16 1 1 A 24 24 PHE N N 24 123.332 122.981 0.351 1
1 141 . 16 1 1 A 25 25 THR H H 25 9.003 9.304 -0.301 1
1 142 . 16 1 1 A 25 25 THR HA H 25 4.470 4.776 -0.306 1
1 147 . 16 1 1 A 25 25 THR C C 25 175.209 176.088 -0.879 1
1 148 . 16 1 1 A 25 25 THR CA C 25 60.598 60.111 0.487 1
1 149 . 16 1 1 A 25 25 THR CB C 25 70.801 71.562 -0.761 1
1 151 . 16 1 1 A 25 25 THR N N 25 113.078 113.653 -0.575 1
1 152 . 16 1 1 A 26 26 GLU H H 26 8.991 9.069 -0.078 1
1 153 . 16 1 1 A 26 26 GLU HA H 26 4.036 3.970 0.066 1
1 158 . 16 1 1 A 26 26 GLU C C 26 179.118 178.933 0.185 1
1 159 . 16 1 1 A 26 26 GLU CA C 26 60.222 59.550 0.672 1
1 160 . 16 1 1 A 26 26 GLU CB C 26 29.271 29.230 0.041 1
1 162 . 16 1 1 A 26 26 GLU N N 26 120.978 121.611 -0.633 1
1 163 . 16 1 1 A 27 27 LEU H H 27 8.120 8.039 0.081 1
1 164 . 16 1 1 A 27 27 LEU HA H 27 4.117 4.037 0.080 1
1 174 . 16 1 1 A 27 27 LEU C C 27 180.623 178.971 1.652 1
1 175 . 16 1 1 A 27 27 LEU CA C 27 58.187 58.019 0.168 1
1 176 . 16 1 1 A 27 27 LEU CB C 27 42.220 41.867 0.353 1
1 180 . 16 1 1 A 27 27 LEU N N 27 118.897 121.227 -2.330 1
1 181 . 16 1 1 A 28 28 GLN H H 28 7.733 7.916 -0.183 1
1 182 . 16 1 1 A 28 28 GLN HA H 28 3.864 4.005 -0.141 1
1 189 . 16 1 1 A 28 28 GLN C C 28 177.492 179.030 -1.538 1
1 190 . 16 1 1 A 28 28 GLN CA C 28 59.212 58.738 0.474 1
1 191 . 16 1 1 A 28 28 GLN CB C 28 27.740 28.190 -0.450 1
1 193 . 16 1 1 A 28 28 GLN N N 28 119.947 117.905 2.042 1
1 195 . 16 1 1 A 29 29 LEU H H 29 8.336 8.463 -0.127 1
1 196 . 16 1 1 A 29 29 LEU HA H 29 3.665 3.711 -0.046 1
1 206 . 16 1 1 A 29 29 LEU C C 29 179.118 178.761 0.357 1
1 207 . 16 1 1 A 29 29 LEU CA C 29 58.068 57.666 0.402 1
1 208 . 16 1 1 A 29 29 LEU CB C 29 41.582 41.247 0.335 1
1 212 . 16 1 1 A 29 29 LEU N N 29 118.154 119.395 -1.241 1
1 213 . 16 1 1 A 30 30 MET H H 30 8.282 8.238 0.044 1
1 214 . 16 1 1 A 30 30 MET HA H 30 4.118 4.143 -0.025 1
1 222 . 16 1 1 A 30 30 MET C C 30 179.070 178.755 0.315 1
1 223 . 16 1 1 A 30 30 MET CA C 30 58.583 58.406 0.177 1
1 224 . 16 1 1 A 30 30 MET CB C 30 32.665 32.045 0.620 1
1 227 . 16 1 1 A 30 30 MET N N 30 117.314 118.818 -1.504 1
1 228 . 16 1 1 A 31 31 GLY H H 31 7.904 8.220 -0.316 1
1 229 . 16 1 1 A 31 31 GLY HA2 H 31 3.787 3.602 0.185 1
1 230 . 16 1 1 A 31 31 GLY HA3 H 31 3.631 3.625 0.006 1
1 231 . 16 1 1 A 31 31 GLY C C 31 176.618 175.587 1.031 1
1 232 . 16 1 1 A 31 31 GLY CA C 31 47.231 47.165 0.066 1
1 233 . 16 1 1 A 31 31 GLY N N 31 107.053 106.871 0.182 1
1 234 . 16 1 1 A 32 32 LEU H H 32 7.982 8.418 -0.436 1
1 235 . 16 1 1 A 32 32 LEU HA H 32 3.577 3.972 -0.395 1
1 245 . 16 1 1 A 32 32 LEU C C 32 177.564 179.411 -1.847 1
1 246 . 16 1 1 A 32 32 LEU CA C 32 58.318 57.306 1.012 1
1 247 . 16 1 1 A 32 32 LEU CB C 32 38.280 40.830 -2.550 1
1 251 . 16 1 1 A 32 32 LEU N N 32 125.323 122.216 3.107 1
1 252 . 16 1 1 A 33 33 GLU H H 33 8.054 7.991 0.063 1
1 253 . 16 1 1 A 33 33 GLU HA H 33 4.283 4.280 0.003 1
1 258 . 16 1 1 A 33 33 GLU C C 33 180.041 179.773 0.268 1
1 259 . 16 1 1 A 33 33 GLU CA C 33 59.157 59.388 -0.231 1
1 260 . 16 1 1 A 33 33 GLU CB C 33 29.155 29.296 -0.141 1
1 262 . 16 1 1 A 33 33 GLU N N 33 118.448 119.216 -0.768 1
1 263 . 16 1 1 A 34 34 LYS H H 34 8.229 7.877 0.352 1
1 264 . 16 1 1 A 34 34 LYS HA H 34 4.099 4.088 0.011 1
1 271 . 16 1 1 A 34 34 LYS C C 34 179.822 179.384 0.438 1
1 272 . 16 1 1 A 34 34 LYS CA C 34 58.789 59.283 -0.494 1
1 273 . 16 1 1 A 34 34 LYS CB C 34 32.073 31.866 0.207 1
1 277 . 16 1 1 A 34 34 LYS N N 34 118.230 121.369 -3.139 1
1 278 . 16 1 1 A 35 35 ARG H H 35 7.560 7.951 -0.391 1
1 279 . 16 1 1 A 35 35 ARG HA H 35 4.190 4.124 0.066 1
1 286 . 16 1 1 A 35 35 ARG C C 35 178.001 178.824 -0.823 1
1 287 . 16 1 1 A 35 35 ARG CA C 35 57.095 58.652 -1.557 1
1 288 . 16 1 1 A 35 35 ARG CB C 35 28.882 30.531 -1.649 1
1 291 . 16 1 1 A 35 35 ARG N N 35 120.162 119.276 0.886 1
1 292 . 16 1 1 A 36 36 PHE H H 36 8.810 8.231 0.579 1
1 293 . 16 1 1 A 36 36 PHE HA H 36 4.227 3.983 0.244 1
1 301 . 16 1 1 A 36 36 PHE C C 36 176.520 177.004 -0.484 1
1 302 . 16 1 1 A 36 36 PHE CA C 36 60.886 61.120 -0.234 1
1 303 . 16 1 1 A 36 36 PHE CB C 36 39.333 38.638 0.695 1
1 309 . 16 1 1 A 36 36 PHE N N 36 122.860 121.230 1.630 1
1 310 . 16 1 1 A 37 37 GLU H H 37 7.772 8.248 -0.476 1
1 311 . 16 1 1 A 37 37 GLU HA H 37 3.701 4.184 -0.483 1
1 316 . 16 1 1 A 37 37 GLU C C 37 177.297 178.617 -1.320 1
1 317 . 16 1 1 A 37 37 GLU CA C 37 59.036 59.172 -0.136 1
1 318 . 16 1 1 A 37 37 GLU CB C 37 29.981 29.463 0.518 1
1 320 . 16 1 1 A 37 37 GLU N N 37 116.313 117.885 -1.572 1
1 321 . 16 1 1 A 38 38 LYS H H 38 7.005 7.927 -0.922 1
1 322 . 16 1 1 A 38 38 LYS HA H 38 4.280 4.239 0.041 1
1 329 . 16 1 1 A 38 38 LYS C C 38 177.079 177.238 -0.159 1
1 330 . 16 1 1 A 38 38 LYS CA C 38 56.741 59.057 -2.316 1
1 331 . 16 1 1 A 38 38 LYS CB C 38 34.301 32.672 1.629 1
1 335 . 16 1 1 A 38 38 LYS N N 38 114.632 119.245 -4.613 1
1 336 . 16 1 1 A 39 39 GLN H H 39 8.641 8.231 0.410 1
1 337 . 16 1 1 A 39 39 GLN HA H 39 4.509 4.394 0.115 1
1 344 . 16 1 1 A 39 39 GLN C C 39 173.340 176.032 -2.692 1
1 345 . 16 1 1 A 39 39 GLN CA C 39 55.527 54.570 0.957 1
1 346 . 16 1 1 A 39 39 GLN CB C 39 31.827 28.541 3.286 1
1 348 . 16 1 1 A 39 39 GLN N N 39 120.830 118.110 2.720 1
1 350 . 16 1 1 A 40 40 LYS H H 40 8.474 8.243 0.231 1
1 351 . 16 1 1 A 40 40 LYS HA H 40 3.598 2.972 0.626 1
1 360 . 16 1 1 A 40 40 LYS C C 40 174.530 175.667 -1.137 1
1 361 . 16 1 1 A 40 40 LYS CA C 40 56.459 58.578 -2.119 1
1 362 . 16 1 1 A 40 40 LYS CB C 40 32.276 31.630 0.646 1
1 366 . 16 1 1 A 40 40 LYS N N 40 125.122 125.679 -0.557 1
1 367 . 16 1 1 A 41 41 TYR H H 41 7.513 7.597 -0.084 1
1 368 . 16 1 1 A 41 41 TYR HA H 41 4.537 5.216 -0.679 1
1 375 . 16 1 1 A 41 41 TYR C C 41 174.700 175.034 -0.334 1
1 376 . 16 1 1 A 41 41 TYR CA C 41 56.743 56.590 0.153 1
1 377 . 16 1 1 A 41 41 TYR CB C 41 41.274 41.252 0.022 1
1 382 . 16 1 1 A 41 41 TYR N N 41 113.703 116.241 -2.538 1
1 383 . 16 1 1 A 42 42 LEU H H 42 8.544 8.622 -0.078 1
1 384 . 16 1 1 A 42 42 LEU HA H 42 4.610 4.365 0.245 1
1 394 . 16 1 1 A 42 42 LEU C C 42 177.273 176.922 0.351 1
1 395 . 16 1 1 A 42 42 LEU CA C 42 53.408 54.983 -1.575 1
1 396 . 16 1 1 A 42 42 LEU CB C 42 44.040 41.469 2.571 1
1 400 . 16 1 1 A 42 42 LEU N N 42 123.003 126.954 -3.951 1
1 401 . 16 1 1 A 43 43 SER H H 43 8.651 8.632 0.019 1
1 402 . 16 1 1 A 43 43 SER HA H 43 4.621 4.447 0.174 1
1 405 . 16 1 1 A 43 43 SER C C 43 174.530 175.773 -1.243 1
1 406 . 16 1 1 A 43 43 SER CA C 43 57.053 59.211 -2.158 1
1 407 . 16 1 1 A 43 43 SER CB C 43 64.786 64.270 0.516 1
1 408 . 16 1 1 A 43 43 SER N N 43 118.850 119.835 -0.985 1
1 409 . 16 1 1 A 44 44 THR H H 44 9.159 8.757 0.402 1
1 410 . 16 1 1 A 44 44 THR HA H 44 4.428 3.993 0.435 1
1 415 . 16 1 1 A 44 44 THR C C 44 175.428 173.465 1.963 1
1 416 . 16 1 1 A 44 44 THR CA C 44 66.563 67.666 -1.103 1
1 417 . 16 1 1 A 44 44 THR CB C 44 69.210 67.809 1.401 1
1 419 . 16 1 1 A 44 44 THR N N 44 117.903 117.777 0.126 1
1 420 . 16 1 1 A 45 45 PRO HA H 45 4.188 4.298 -0.110 1
1 427 . 16 1 1 A 45 45 PRO C C 45 179.312 178.683 0.629 1
1 428 . 16 1 1 A 45 45 PRO CA C 45 66.163 66.203 -0.040 1
1 429 . 16 1 1 A 45 45 PRO CB C 45 30.975 30.476 0.499 1
1 432 . 16 1 1 A 46 46 ASP H H 46 7.289 8.297 -1.008 1
1 433 . 16 1 1 A 46 46 ASP HA H 46 4.387 4.321 0.066 1
1 436 . 16 1 1 A 46 46 ASP C C 46 178.390 178.803 -0.413 1
1 437 . 16 1 1 A 46 46 ASP CA C 46 56.974 57.508 -0.534 1
1 438 . 16 1 1 A 46 46 ASP CB C 46 41.498 40.160 1.338 1
1 439 . 16 1 1 A 46 46 ASP N N 46 117.060 117.443 -0.383 1
1 440 . 16 1 1 A 47 47 ARG H H 47 8.493 7.961 0.532 1
1 441 . 16 1 1 A 47 47 ARG HA H 47 3.754 4.016 -0.262 1
1 448 . 16 1 1 A 47 47 ARG C C 47 177.880 178.687 -0.807 1
1 449 . 16 1 1 A 47 47 ARG CA C 47 60.123 58.923 1.200 1
1 450 . 16 1 1 A 47 47 ARG CB C 47 30.355 29.868 0.487 1
1 453 . 16 1 1 A 47 47 ARG N N 47 122.143 120.312 1.831 1
1 454 . 16 1 1 A 48 48 ILE H H 48 8.219 7.562 0.657 1
1 455 . 16 1 1 A 48 48 ILE HA H 48 3.475 3.563 -0.088 1
1 465 . 16 1 1 A 48 48 ILE C C 48 178.026 177.753 0.273 1
1 466 . 16 1 1 A 48 48 ILE CA C 48 66.105 65.252 0.853 1
1 467 . 16 1 1 A 48 48 ILE CB C 48 38.440 37.700 0.740 1
1 471 . 16 1 1 A 48 48 ILE N N 48 119.888 120.084 -0.196 1
1 472 . 16 1 1 A 49 49 ASP H H 49 7.775 8.367 -0.592 1
1 473 . 16 1 1 A 49 49 ASP HA H 49 4.406 4.282 0.124 1
1 476 . 16 1 1 A 49 49 ASP C C 49 178.900 178.177 0.723 1
1 477 . 16 1 1 A 49 49 ASP CA C 49 57.380 57.552 -0.172 1
1 478 . 16 1 1 A 49 49 ASP CB C 49 41.523 40.863 0.660 1
1 479 . 16 1 1 A 49 49 ASP N N 49 119.245 120.520 -1.275 1
1 480 . 16 1 1 A 50 50 LEU H H 50 8.344 7.857 0.487 1
1 481 . 16 1 1 A 50 50 LEU HA H 50 4.090 4.077 0.013 1
1 491 . 16 1 1 A 50 50 LEU C C 50 178.705 178.377 0.328 1
1 492 . 16 1 1 A 50 50 LEU CA C 50 57.651 57.969 -0.318 1
1 493 . 16 1 1 A 50 50 LEU CB C 50 42.526 41.854 0.672 1
1 497 . 16 1 1 A 50 50 LEU N N 50 121.649 120.342 1.307 1
1 498 . 16 1 1 A 51 51 ALA H H 51 8.513 8.325 0.188 1
1 499 . 16 1 1 A 51 51 ALA HA H 51 3.611 4.014 -0.403 1
1 503 . 16 1 1 A 51 51 ALA C C 51 179.749 178.910 0.839 1
1 504 . 16 1 1 A 51 51 ALA CA C 51 56.139 54.505 1.634 1
1 505 . 16 1 1 A 51 51 ALA CB C 51 17.519 18.508 -0.989 1
1 506 . 16 1 1 A 51 51 ALA N N 51 120.902 120.489 0.413 1
1 507 . 16 1 1 A 52 52 GLU H H 52 8.285 7.467 0.818 1
1 508 . 16 1 1 A 52 52 GLU HA H 52 4.097 4.295 -0.198 1
1 513 . 16 1 1 A 52 52 GLU C C 52 180.114 179.423 0.691 1
1 514 . 16 1 1 A 52 52 GLU CA C 52 59.307 58.470 0.837 1
1 515 . 16 1 1 A 52 52 GLU CB C 52 29.408 30.038 -0.630 1
1 517 . 16 1 1 A 52 52 GLU N N 52 116.933 117.449 -0.516 1
1 518 . 16 1 1 A 53 53 SER H H 53 8.229 8.188 0.041 1
1 519 . 16 1 1 A 53 53 SER HA H 53 4.251 4.208 0.043 1
1 522 . 16 1 1 A 53 53 SER C C 53 176.059 175.769 0.290 1
1 523 . 16 1 1 A 53 53 SER CA C 53 61.347 62.481 -1.134 1
1 524 . 16 1 1 A 53 53 SER CB C 53 63.235 63.310 -0.075 1
1 525 . 16 1 1 A 53 53 SER N N 53 114.615 118.348 -3.733 1
1 526 . 16 1 1 A 54 54 LEU H H 54 7.675 7.809 -0.134 1
1 527 . 16 1 1 A 54 54 LEU HA H 54 4.513 4.253 0.260 1
1 537 . 16 1 1 A 54 54 LEU C C 54 177.516 177.015 0.501 1
1 538 . 16 1 1 A 54 54 LEU CA C 54 54.422 55.441 -1.019 1
1 539 . 16 1 1 A 54 54 LEU CB C 54 43.880 42.765 1.115 1
1 543 . 16 1 1 A 54 54 LEU N N 54 117.401 117.628 -0.227 1
1 544 . 16 1 1 A 55 55 GLY H H 55 7.941 8.083 -0.142 1
1 545 . 16 1 1 A 55 55 GLY HA2 H 55 3.982 3.967 0.015 1
1 546 . 16 1 1 A 55 55 GLY HA3 H 55 4.026 3.967 0.059 1
1 547 . 16 1 1 A 55 55 GLY C C 55 174.360 174.330 0.030 1
1 548 . 16 1 1 A 55 55 GLY CA C 55 46.728 45.207 1.521 1
1 549 . 16 1 1 A 55 55 GLY N N 55 111.061 106.096 4.965 1
1 550 . 16 1 1 A 56 56 LEU H H 56 8.190 8.014 0.176 1
1 551 . 16 1 1 A 56 56 LEU HA H 56 4.803 4.699 0.104 1
1 561 . 16 1 1 A 56 56 LEU C C 56 175.914 176.151 -0.237 1
1 562 . 16 1 1 A 56 56 LEU CA C 56 52.510 53.683 -1.173 1
1 563 . 16 1 1 A 56 56 LEU CB C 56 47.484 42.654 4.830 1
1 567 . 16 1 1 A 56 56 LEU N N 56 119.967 122.259 -2.292 1
1 568 . 16 1 1 A 57 57 SER H H 57 9.037 8.965 0.072 1
1 569 . 16 1 1 A 57 57 SER HA H 57 4.423 4.691 -0.268 1
1 572 . 16 1 1 A 57 57 SER C C 57 176.618 175.271 1.347 1
1 573 . 16 1 1 A 57 57 SER CA C 57 56.189 56.978 -0.789 1
1 574 . 16 1 1 A 57 57 SER CB C 57 65.579 65.524 0.055 1
1 575 . 16 1 1 A 57 57 SER N N 57 115.098 117.260 -2.162 1
1 576 . 16 1 1 A 58 58 GLN HA H 58 3.741 4.045 -0.304 1
1 583 . 16 1 1 A 58 58 GLN C C 58 177.904 178.194 -0.290 1
1 584 . 16 1 1 A 58 58 GLN CA C 58 60.504 58.559 1.945 1
1 585 . 16 1 1 A 58 58 GLN CB C 58 28.365 28.189 0.176 1
1 588 . 16 1 1 A 59 59 LEU H H 59 8.207 7.922 0.285 1
1 589 . 16 1 1 A 59 59 LEU HA H 59 4.192 4.124 0.068 1
1 599 . 16 1 1 A 59 59 LEU C C 59 179.871 178.781 1.090 1
1 600 . 16 1 1 A 59 59 LEU CA C 59 57.878 57.946 -0.068 1
1 601 . 16 1 1 A 59 59 LEU CB C 59 41.747 41.841 -0.094 1
1 605 . 16 1 1 A 59 59 LEU N N 59 120.246 122.140 -1.894 1
1 606 . 16 1 1 A 60 60 GLN H H 60 8.125 8.336 -0.211 1
1 607 . 16 1 1 A 60 60 GLN HA H 60 4.214 4.203 0.011 1
1 614 . 16 1 1 A 60 60 GLN C C 60 179.434 178.919 0.515 1
1 615 . 16 1 1 A 60 60 GLN CA C 60 59.530 59.236 0.294 1
1 616 . 16 1 1 A 60 60 GLN CB C 60 29.651 28.611 1.040 1
1 618 . 16 1 1 A 60 60 GLN N N 60 120.637 118.302 2.335 1
1 620 . 16 1 1 A 61 61 VAL H H 61 7.717 7.626 0.091 1
1 621 . 16 1 1 A 61 61 VAL HA H 61 3.673 3.779 -0.106 1
1 629 . 16 1 1 A 61 61 VAL C C 61 176.982 177.912 -0.930 1
1 630 . 16 1 1 A 61 61 VAL CA C 61 67.670 67.173 0.497 1
1 631 . 16 1 1 A 61 61 VAL CB C 61 31.899 31.505 0.394 1
1 634 . 16 1 1 A 61 61 VAL N N 61 118.389 120.214 -1.825 1
1 635 . 16 1 1 A 62 62 LYS H H 62 8.578 7.847 0.731 1
1 636 . 16 1 1 A 62 62 LYS HA H 62 4.423 4.039 0.384 1
1 644 . 16 1 1 A 62 62 LYS C C 62 179.749 178.913 0.836 1
1 645 . 16 1 1 A 62 62 LYS CA C 62 59.821 59.914 -0.093 1
1 646 . 16 1 1 A 62 62 LYS CB C 62 33.793 32.612 1.181 1
1 650 . 16 1 1 A 62 62 LYS N N 62 120.540 120.305 0.235 1
1 651 . 16 1 1 A 63 63 THR H H 63 8.722 8.637 0.085 1
1 652 . 16 1 1 A 63 63 THR HA H 63 4.007 4.000 0.007 1
1 657 . 16 1 1 A 63 63 THR C C 63 176.059 176.679 -0.620 1
1 658 . 16 1 1 A 63 63 THR CA C 63 66.527 67.013 -0.486 1
1 659 . 16 1 1 A 63 63 THR CB C 63 69.236 68.589 0.647 1
1 661 . 16 1 1 A 63 63 THR N N 63 115.962 114.625 1.337 1
1 662 . 16 1 1 A 64 64 TRP H H 64 8.506 8.655 -0.149 1
1 663 . 16 1 1 A 64 64 TRP HA H 64 4.064 4.206 -0.142 1
1 672 . 16 1 1 A 64 64 TRP C C 64 179.264 178.004 1.260 1
1 673 . 16 1 1 A 64 64 TRP CA C 64 63.070 61.148 1.922 1
1 674 . 16 1 1 A 64 64 TRP CB C 64 29.048 29.734 -0.686 1
1 680 . 16 1 1 A 64 64 TRP N N 64 123.609 121.229 2.380 1
1 682 . 16 1 1 A 65 65 TYR H H 65 9.152 8.860 0.292 1
1 683 . 16 1 1 A 65 65 TYR HA H 65 3.660 4.419 -0.759 1
1 690 . 16 1 1 A 65 65 TYR C C 65 178.535 178.472 0.063 1
1 691 . 16 1 1 A 65 65 TYR CA C 65 63.749 61.963 1.786 1
1 692 . 16 1 1 A 65 65 TYR CB C 65 39.082 38.607 0.475 1
1 697 . 16 1 1 A 65 65 TYR N N 65 121.400 118.359 3.041 1
1 698 . 16 1 1 A 66 66 GLN H H 66 7.981 8.330 -0.349 1
1 699 . 16 1 1 A 66 66 GLN HA H 66 4.036 4.004 0.032 1
1 706 . 16 1 1 A 66 66 GLN C C 66 179.045 178.849 0.196 1
1 707 . 16 1 1 A 66 66 GLN CA C 66 59.255 59.449 -0.194 1
1 708 . 16 1 1 A 66 66 GLN CB C 66 28.207 28.273 -0.066 1
1 710 . 16 1 1 A 66 66 GLN N N 66 116.821 118.469 -1.648 1
1 712 . 16 1 1 A 67 67 ASN H H 67 7.862 7.994 -0.132 1
1 713 . 16 1 1 A 67 67 ASN HA H 67 4.367 4.494 -0.127 1
1 718 . 16 1 1 A 67 67 ASN C C 67 177.759 178.137 -0.378 1
1 719 . 16 1 1 A 67 67 ASN CA C 67 55.852 55.946 -0.094 1
1 720 . 16 1 1 A 67 67 ASN CB C 67 38.119 37.711 0.408 1
1 721 . 16 1 1 A 67 67 ASN N N 67 118.257 118.254 0.003 1
1 723 . 16 1 1 A 68 68 ARG H H 68 8.533 8.067 0.466 1
1 724 . 16 1 1 A 68 68 ARG HA H 68 3.430 3.451 -0.021 1
1 732 . 16 1 1 A 68 68 ARG C C 68 179.992 178.921 1.071 1
1 733 . 16 1 1 A 68 68 ARG CA C 68 56.391 59.355 -2.964 1
1 734 . 16 1 1 A 68 68 ARG CB C 68 27.959 28.963 -1.004 1
1 737 . 16 1 1 A 68 68 ARG N N 68 123.922 118.661 5.261 1
1 739 . 16 1 1 A 69 69 ARG H H 69 8.226 7.789 0.437 1
1 740 . 16 1 1 A 69 69 ARG HA H 69 4.357 4.392 -0.035 1
1 747 . 16 1 1 A 69 69 ARG C C 69 178.535 179.272 -0.737 1
1 748 . 16 1 1 A 69 69 ARG CA C 69 60.681 59.500 1.181 1
1 749 . 16 1 1 A 69 69 ARG CB C 69 31.938 30.612 1.326 1
1 752 . 16 1 1 A 69 69 ARG N N 69 118.839 119.449 -0.610 1
1 753 . 16 1 1 A 70 70 MET H H 70 7.480 7.924 -0.444 1
1 754 . 16 1 1 A 70 70 MET HA H 70 4.287 4.113 0.174 1
1 762 . 16 1 1 A 70 70 MET C C 70 178.098 178.262 -0.164 1
1 763 . 16 1 1 A 70 70 MET CA C 70 58.381 59.303 -0.922 1
1 764 . 16 1 1 A 70 70 MET CB C 70 32.011 32.264 -0.253 1
1 767 . 16 1 1 A 70 70 MET N N 70 118.164 119.908 -1.744 1
1 768 . 16 1 1 A 71 71 LYS H H 71 7.298 7.235 0.063 1
1 769 . 16 1 1 A 71 71 LYS HA H 71 4.086 4.238 -0.152 1
1 778 . 16 1 1 A 71 71 LYS C C 71 177.831 179.046 -1.215 1
1 779 . 16 1 1 A 71 71 LYS CA C 71 58.324 58.152 0.172 1
1 780 . 16 1 1 A 71 71 LYS CB C 71 32.732 33.343 -0.611 1
1 784 . 16 1 1 A 71 71 LYS N N 71 118.798 118.120 0.678 1
1 785 . 16 1 1 A 72 72 TRP H H 72 7.952 8.312 -0.360 1
1 786 . 16 1 1 A 72 72 TRP HA H 72 4.721 4.153 0.568 1
1 795 . 16 1 1 A 72 72 TRP C C 72 177.152 177.403 -0.251 1
1 796 . 16 1 1 A 72 72 TRP CA C 72 58.506 60.817 -2.311 1
1 797 . 16 1 1 A 72 72 TRP CB C 72 29.602 29.748 -0.146 1
1 803 . 16 1 1 A 72 72 TRP N N 72 121.455 122.328 -0.873 1
1 805 . 16 1 1 A 73 73 LYS H H 73 8.241 8.291 -0.050 1
1 806 . 16 1 1 A 73 73 LYS HA H 73 3.781 3.334 0.447 1
1 815 . 16 1 1 A 73 73 LYS C C 73 176.957 175.457 1.500 1
1 816 . 16 1 1 A 73 73 LYS CA C 73 57.074 56.872 0.202 1
1 817 . 16 1 1 A 73 73 LYS CB C 73 32.567 33.331 -0.764 1
1 821 . 16 1 1 A 73 73 LYS N N 73 120.065 120.252 -0.187 1
1 822 . 16 1 1 A 74 74 LYS H H 74 7.705 8.347 -0.642 1
1 823 . 16 1 1 A 74 74 LYS HA H 74 4.154 4.790 -0.636 1
1 830 . 16 1 1 A 74 74 LYS C C 74 176.836 175.126 1.710 1
1 831 . 16 1 1 A 74 74 LYS CA C 74 57.028 55.050 1.978 1
1 832 . 16 1 1 A 74 74 LYS CB C 74 32.402 33.228 -0.826 1
1 836 . 16 1 1 A 74 74 LYS N N 74 120.036 126.070 -6.034 1
1 837 . 16 1 1 A 75 75 SER H H 75 7.986 8.813 -0.827 1
1 838 . 16 1 1 A 75 75 SER HA H 75 4.470 5.247 -0.777 1
1 841 . 16 1 1 A 75 75 SER C C 75 174.530 173.015 1.515 1
1 842 . 16 1 1 A 75 75 SER CA C 75 58.786 56.888 1.898 1
1 843 . 16 1 1 A 75 75 SER CB C 75 63.975 66.068 -2.093 1
1 844 . 16 1 1 A 75 75 SER N N 75 115.488 118.523 -3.035 1
1 845 . 16 1 1 A 76 76 GLY H H 76 8.040 8.190 -0.150 1
1 846 . 16 1 1 A 76 76 GLY HA2 H 76 4.076 4.172 -0.096 1
1 847 . 16 1 1 A 76 76 GLY HA3 H 76 4.099 4.178 -0.079 1
1 848 . 16 1 1 A 76 76 GLY C C 76 171.835 172.860 -1.025 1
1 849 . 16 1 1 A 76 76 GLY CA C 76 44.789 45.712 -0.923 1
1 850 . 16 1 1 A 76 76 GLY N N 76 110.454 112.333 -1.879 1
1 851 . 16 1 1 A 77 77 PRO HA H 77 4.456 4.592 -0.136 1
1 856 . 16 1 1 A 77 77 PRO CA C 77 63.323 62.684 0.639 1
1 857 . 16 1 1 A 77 77 PRO CB C 77 32.209 32.269 -0.060 1
1 860 . 16 1 1 A 79 79 SER HA H 79 4.506 4.146 0.360 1
1 863 . 16 1 1 A 79 79 SER C C 79 173.947 173.880 0.067 1
1 864 . 16 1 1 A 79 79 SER CA C 79 58.433 59.062 -0.629 1
1 865 . 16 1 1 A 79 79 SER CB C 79 63.960 61.069 2.891 1
1 1 . 17 1 1 A 7 7 GLY HA2 H 7 4.014 4.328 -0.314 1
1 2 . 17 1 1 A 7 7 GLY HA3 H 7 4.014 4.330 -0.316 1
1 3 . 17 1 1 A 7 7 GLY C C 7 174.578 172.536 2.042 1
1 4 . 17 1 1 A 7 7 GLY CA C 7 45.445 45.685 -0.240 1
1 5 . 17 1 1 A 8 8 GLY H H 8 8.219 8.472 -0.253 1
1 6 . 17 1 1 A 8 8 GLY HA2 H 8 3.959 4.149 -0.190 1
1 7 . 17 1 1 A 8 8 GLY HA3 H 8 3.959 4.157 -0.198 1
1 8 . 17 1 1 A 8 8 GLY C C 8 173.898 172.408 1.490 1
1 9 . 17 1 1 A 8 8 GLY CA C 8 44.923 45.128 -0.205 1
1 10 . 17 1 1 A 8 8 GLY N N 8 108.655 107.645 1.010 1
1 11 . 17 1 1 A 9 9 GLU H H 9 8.378 8.897 -0.519 1
1 12 . 17 1 1 A 9 9 GLU HA H 9 4.586 4.882 -0.296 1
1 16 . 17 1 1 A 9 9 GLU C C 9 175.015 174.084 0.931 1
1 17 . 17 1 1 A 9 9 GLU CA C 9 54.661 53.129 1.532 1
1 18 . 17 1 1 A 9 9 GLU CB C 9 29.534 32.963 -3.429 1
1 20 . 17 1 1 A 9 9 GLU N N 9 121.838 122.525 -0.687 1
1 21 . 17 1 1 A 10 10 PRO HA H 10 4.428 4.536 -0.108 1
1 28 . 17 1 1 A 10 10 PRO C C 10 177.856 176.309 1.547 1
1 29 . 17 1 1 A 10 10 PRO CA C 10 63.767 62.440 1.327 1
1 30 . 17 1 1 A 10 10 PRO CB C 10 32.080 33.300 -1.220 1
1 33 . 17 1 1 A 11 11 GLY H H 11 8.556 8.275 0.281 1
1 34 . 17 1 1 A 11 11 GLY HA2 H 11 3.997 4.233 -0.236 1
1 35 . 17 1 1 A 11 11 GLY HA3 H 11 3.997 4.237 -0.240 1
1 36 . 17 1 1 A 11 11 GLY C C 11 174.724 172.789 1.935 1
1 37 . 17 1 1 A 11 11 GLY CA C 11 45.529 44.687 0.842 1
1 38 . 17 1 1 A 11 11 GLY N N 11 108.931 106.835 2.096 1
1 39 . 17 1 1 A 12 12 THR H H 12 7.973 8.541 -0.568 1
1 40 . 17 1 1 A 12 12 THR HA H 12 4.306 5.229 -0.923 1
1 45 . 17 1 1 A 12 12 THR C C 12 174.942 173.111 1.831 1
1 46 . 17 1 1 A 12 12 THR CA C 12 62.240 60.596 1.644 1
1 47 . 17 1 1 A 12 12 THR CB C 12 69.882 71.121 -1.239 1
1 49 . 17 1 1 A 12 12 THR N N 12 113.454 114.221 -0.767 1
1 50 . 17 1 1 A 13 13 LYS H H 13 8.313 8.793 -0.480 1
1 51 . 17 1 1 A 13 13 LYS HA H 13 4.281 5.062 -0.781 1
1 58 . 17 1 1 A 13 13 LYS C C 13 176.520 174.297 2.223 1
1 59 . 17 1 1 A 13 13 LYS CA C 13 56.565 55.309 1.256 1
1 60 . 17 1 1 A 13 13 LYS CB C 13 32.590 35.899 -3.309 1
1 64 . 17 1 1 A 13 13 LYS N N 13 123.479 122.602 0.877 1
1 65 . 17 1 1 A 14 14 ALA H H 14 8.192 8.864 -0.672 1
1 66 . 17 1 1 A 14 14 ALA HA H 14 4.272 5.078 -0.806 1
1 70 . 17 1 1 A 14 14 ALA C C 14 177.807 176.716 1.091 1
1 71 . 17 1 1 A 14 14 ALA CA C 14 52.581 50.577 2.004 1
1 72 . 17 1 1 A 14 14 ALA CB C 14 19.258 20.411 -1.153 1
1 73 . 17 1 1 A 14 14 ALA N N 14 124.692 127.205 -2.513 1
1 74 . 17 1 1 A 15 15 LYS H H 15 8.264 9.121 -0.857 1
1 75 . 17 1 1 A 15 15 LYS HA H 15 4.296 5.113 -0.817 1
1 81 . 17 1 1 A 15 15 LYS C C 15 176.812 175.027 1.785 1
1 82 . 17 1 1 A 15 15 LYS CA C 15 56.403 54.559 1.844 1
1 83 . 17 1 1 A 15 15 LYS CB C 15 32.979 36.038 -3.059 1
1 87 . 17 1 1 A 15 15 LYS N N 15 120.979 119.787 1.192 1
1 88 . 17 1 1 A 16 16 LYS H H 16 8.330 8.810 -0.480 1
1 89 . 17 1 1 A 16 16 LYS HA H 16 4.289 4.601 -0.312 1
1 93 . 17 1 1 A 16 16 LYS C C 16 177.103 176.891 0.212 1
1 94 . 17 1 1 A 16 16 LYS CB C 16 33.072 32.410 0.662 1
1 98 . 17 1 1 A 16 16 LYS N N 16 122.581 122.509 0.072 1
1 99 . 17 1 1 A 22 22 THR HA H 22 4.294 4.524 -0.230 1
1 104 . 17 1 1 A 22 22 THR C C 22 174.020 174.096 -0.076 1
1 105 . 17 1 1 A 22 22 THR CA C 22 61.928 61.250 0.678 1
1 106 . 17 1 1 A 22 22 THR CB C 22 69.730 69.738 -0.008 1
1 108 . 17 1 1 A 23 23 VAL H H 23 8.087 8.692 -0.605 1
1 109 . 17 1 1 A 23 23 VAL HA H 23 4.112 4.779 -0.667 1
1 117 . 17 1 1 A 23 23 VAL C C 23 175.646 174.542 1.104 1
1 118 . 17 1 1 A 23 23 VAL CA C 23 62.011 60.766 1.245 1
1 119 . 17 1 1 A 23 23 VAL CB C 23 33.060 34.986 -1.926 1
1 122 . 17 1 1 A 23 23 VAL N N 23 123.252 125.702 -2.450 1
1 123 . 17 1 1 A 24 24 PHE H H 24 8.220 9.252 -1.032 1
1 124 . 17 1 1 A 24 24 PHE HA H 24 4.976 5.488 -0.512 1
1 132 . 17 1 1 A 24 24 PHE C C 24 176.739 174.940 1.799 1
1 133 . 17 1 1 A 24 24 PHE CA C 24 56.389 56.294 0.095 1
1 134 . 17 1 1 A 24 24 PHE CB C 24 40.492 41.828 -1.336 1
1 140 . 17 1 1 A 24 24 PHE N N 24 123.332 126.811 -3.479 1
1 141 . 17 1 1 A 25 25 THR H H 25 9.003 8.800 0.203 1
1 142 . 17 1 1 A 25 25 THR HA H 25 4.470 4.912 -0.442 1
1 147 . 17 1 1 A 25 25 THR C C 25 175.209 176.175 -0.966 1
1 148 . 17 1 1 A 25 25 THR CA C 25 60.598 59.728 0.870 1
1 149 . 17 1 1 A 25 25 THR CB C 25 70.801 71.472 -0.671 1
1 151 . 17 1 1 A 25 25 THR N N 25 113.078 113.523 -0.445 1
1 152 . 17 1 1 A 26 26 GLU H H 26 8.991 8.994 -0.003 1
1 153 . 17 1 1 A 26 26 GLU HA H 26 4.036 3.948 0.088 1
1 158 . 17 1 1 A 26 26 GLU C C 26 179.118 178.708 0.410 1
1 159 . 17 1 1 A 26 26 GLU CA C 26 60.222 59.440 0.782 1
1 160 . 17 1 1 A 26 26 GLU CB C 26 29.271 29.215 0.056 1
1 162 . 17 1 1 A 26 26 GLU N N 26 120.978 122.340 -1.362 1
1 163 . 17 1 1 A 27 27 LEU H H 27 8.120 7.908 0.212 1
1 164 . 17 1 1 A 27 27 LEU HA H 27 4.117 4.057 0.060 1
1 174 . 17 1 1 A 27 27 LEU C C 27 180.623 178.863 1.760 1
1 175 . 17 1 1 A 27 27 LEU CA C 27 58.187 58.063 0.124 1
1 176 . 17 1 1 A 27 27 LEU CB C 27 42.220 41.805 0.415 1
1 180 . 17 1 1 A 27 27 LEU N N 27 118.897 121.567 -2.670 1
1 181 . 17 1 1 A 28 28 GLN H H 28 7.733 8.025 -0.292 1
1 182 . 17 1 1 A 28 28 GLN HA H 28 3.864 3.998 -0.134 1
1 189 . 17 1 1 A 28 28 GLN C C 28 177.492 179.033 -1.541 1
1 190 . 17 1 1 A 28 28 GLN CA C 28 59.212 58.712 0.500 1
1 191 . 17 1 1 A 28 28 GLN CB C 28 27.740 28.253 -0.513 1
1 193 . 17 1 1 A 28 28 GLN N N 28 119.947 117.664 2.283 1
1 195 . 17 1 1 A 29 29 LEU H H 29 8.336 8.384 -0.048 1
1 196 . 17 1 1 A 29 29 LEU HA H 29 3.665 3.752 -0.087 1
1 206 . 17 1 1 A 29 29 LEU C C 29 179.118 178.704 0.414 1
1 207 . 17 1 1 A 29 29 LEU CA C 29 58.068 57.779 0.289 1
1 208 . 17 1 1 A 29 29 LEU CB C 29 41.582 41.453 0.129 1
1 212 . 17 1 1 A 29 29 LEU N N 29 118.154 119.599 -1.445 1
1 213 . 17 1 1 A 30 30 MET H H 30 8.282 8.048 0.234 1
1 214 . 17 1 1 A 30 30 MET HA H 30 4.118 4.027 0.091 1
1 222 . 17 1 1 A 30 30 MET C C 30 179.070 178.895 0.175 1
1 223 . 17 1 1 A 30 30 MET CA C 30 58.583 58.705 -0.122 1
1 224 . 17 1 1 A 30 30 MET CB C 30 32.665 32.455 0.210 1
1 227 . 17 1 1 A 30 30 MET N N 30 117.314 118.650 -1.336 1
1 228 . 17 1 1 A 31 31 GLY H H 31 7.904 7.937 -0.033 1
1 229 . 17 1 1 A 31 31 GLY HA2 H 31 3.787 3.616 0.171 1
1 230 . 17 1 1 A 31 31 GLY HA3 H 31 3.631 3.630 0.001 1
1 231 . 17 1 1 A 31 31 GLY C C 31 176.618 175.376 1.242 1
1 232 . 17 1 1 A 31 31 GLY CA C 31 47.231 47.032 0.199 1
1 233 . 17 1 1 A 31 31 GLY N N 31 107.053 106.869 0.184 1
1 234 . 17 1 1 A 32 32 LEU H H 32 7.982 8.167 -0.185 1
1 235 . 17 1 1 A 32 32 LEU HA H 32 3.577 3.800 -0.223 1
1 245 . 17 1 1 A 32 32 LEU C C 32 177.564 179.203 -1.639 1
1 246 . 17 1 1 A 32 32 LEU CA C 32 58.318 57.484 0.834 1
1 247 . 17 1 1 A 32 32 LEU CB C 32 38.280 40.893 -2.613 1
1 251 . 17 1 1 A 32 32 LEU N N 32 125.323 122.244 3.079 1
1 252 . 17 1 1 A 33 33 GLU H H 33 8.054 8.238 -0.184 1
1 253 . 17 1 1 A 33 33 GLU HA H 33 4.283 4.002 0.281 1
1 258 . 17 1 1 A 33 33 GLU C C 33 180.041 179.248 0.793 1
1 259 . 17 1 1 A 33 33 GLU CA C 33 59.157 59.788 -0.631 1
1 260 . 17 1 1 A 33 33 GLU CB C 33 29.155 29.449 -0.294 1
1 262 . 17 1 1 A 33 33 GLU N N 33 118.448 117.333 1.115 1
1 263 . 17 1 1 A 34 34 LYS H H 34 8.229 7.663 0.566 1
1 264 . 17 1 1 A 34 34 LYS HA H 34 4.099 3.967 0.132 1
1 271 . 17 1 1 A 34 34 LYS C C 34 179.822 179.029 0.793 1
1 272 . 17 1 1 A 34 34 LYS CA C 34 58.789 59.807 -1.018 1
1 273 . 17 1 1 A 34 34 LYS CB C 34 32.073 32.610 -0.537 1
1 277 . 17 1 1 A 34 34 LYS N N 34 118.230 120.665 -2.435 1
1 278 . 17 1 1 A 35 35 ARG H H 35 7.560 8.033 -0.473 1
1 279 . 17 1 1 A 35 35 ARG HA H 35 4.190 4.070 0.120 1
1 286 . 17 1 1 A 35 35 ARG C C 35 178.001 178.686 -0.685 1
1 287 . 17 1 1 A 35 35 ARG CA C 35 57.095 59.669 -2.574 1
1 288 . 17 1 1 A 35 35 ARG CB C 35 28.882 30.080 -1.198 1
1 291 . 17 1 1 A 35 35 ARG N N 35 120.162 118.346 1.816 1
1 292 . 17 1 1 A 36 36 PHE H H 36 8.810 8.366 0.444 1
1 293 . 17 1 1 A 36 36 PHE HA H 36 4.227 3.977 0.250 1
1 301 . 17 1 1 A 36 36 PHE C C 36 176.520 177.246 -0.726 1
1 302 . 17 1 1 A 36 36 PHE CA C 36 60.886 61.725 -0.839 1
1 303 . 17 1 1 A 36 36 PHE CB C 36 39.333 39.054 0.279 1
1 309 . 17 1 1 A 36 36 PHE N N 36 122.860 120.398 2.462 1
1 310 . 17 1 1 A 37 37 GLU H H 37 7.772 8.529 -0.757 1
1 311 . 17 1 1 A 37 37 GLU HA H 37 3.701 3.998 -0.297 1
1 316 . 17 1 1 A 37 37 GLU C C 37 177.297 179.136 -1.839 1
1 317 . 17 1 1 A 37 37 GLU CA C 37 59.036 59.820 -0.784 1
1 318 . 17 1 1 A 37 37 GLU CB C 37 29.981 29.070 0.911 1
1 320 . 17 1 1 A 37 37 GLU N N 37 116.313 117.877 -1.564 1
1 321 . 17 1 1 A 38 38 LYS H H 38 7.005 7.776 -0.771 1
1 322 . 17 1 1 A 38 38 LYS HA H 38 4.280 4.138 0.142 1
1 329 . 17 1 1 A 38 38 LYS C C 38 177.079 176.801 0.278 1
1 330 . 17 1 1 A 38 38 LYS CA C 38 56.741 59.424 -2.683 1
1 331 . 17 1 1 A 38 38 LYS CB C 38 34.301 32.122 2.179 1
1 335 . 17 1 1 A 38 38 LYS N N 38 114.632 120.137 -5.505 1
1 336 . 17 1 1 A 39 39 GLN H H 39 8.641 8.211 0.430 1
1 337 . 17 1 1 A 39 39 GLN HA H 39 4.509 4.532 -0.023 1
1 344 . 17 1 1 A 39 39 GLN C C 39 173.340 175.907 -2.567 1
1 345 . 17 1 1 A 39 39 GLN CA C 39 55.527 54.490 1.037 1
1 346 . 17 1 1 A 39 39 GLN CB C 39 31.827 29.707 2.120 1
1 348 . 17 1 1 A 39 39 GLN N N 39 120.830 118.146 2.684 1
1 350 . 17 1 1 A 40 40 LYS H H 40 8.474 8.524 -0.050 1
1 351 . 17 1 1 A 40 40 LYS HA H 40 3.598 3.415 0.183 1
1 360 . 17 1 1 A 40 40 LYS C C 40 174.530 175.804 -1.274 1
1 361 . 17 1 1 A 40 40 LYS CA C 40 56.459 58.938 -2.479 1
1 362 . 17 1 1 A 40 40 LYS CB C 40 32.276 31.950 0.326 1
1 366 . 17 1 1 A 40 40 LYS N N 40 125.122 126.675 -1.553 1
1 367 . 17 1 1 A 41 41 TYR H H 41 7.513 7.734 -0.221 1
1 368 . 17 1 1 A 41 41 TYR HA H 41 4.537 5.112 -0.575 1
1 375 . 17 1 1 A 41 41 TYR C C 41 174.700 174.274 0.426 1
1 376 . 17 1 1 A 41 41 TYR CA C 41 56.743 56.455 0.288 1
1 377 . 17 1 1 A 41 41 TYR CB C 41 41.274 43.230 -1.956 1
1 382 . 17 1 1 A 41 41 TYR N N 41 113.703 116.267 -2.564 1
1 383 . 17 1 1 A 42 42 LEU H H 42 8.544 8.835 -0.291 1
1 384 . 17 1 1 A 42 42 LEU HA H 42 4.610 4.826 -0.216 1
1 394 . 17 1 1 A 42 42 LEU C C 42 177.273 176.559 0.714 1
1 395 . 17 1 1 A 42 42 LEU CA C 42 53.408 53.527 -0.119 1
1 396 . 17 1 1 A 42 42 LEU CB C 42 44.040 45.723 -1.683 1
1 400 . 17 1 1 A 42 42 LEU N N 42 123.003 120.875 2.128 1
1 401 . 17 1 1 A 43 43 SER H H 43 8.651 8.761 -0.110 1
1 402 . 17 1 1 A 43 43 SER HA H 43 4.621 4.483 0.138 1
1 405 . 17 1 1 A 43 43 SER C C 43 174.530 175.811 -1.281 1
1 406 . 17 1 1 A 43 43 SER CA C 43 57.053 58.762 -1.709 1
1 407 . 17 1 1 A 43 43 SER CB C 43 64.786 64.147 0.639 1
1 408 . 17 1 1 A 43 43 SER N N 43 118.850 118.743 0.107 1
1 409 . 17 1 1 A 44 44 THR H H 44 9.159 8.808 0.351 1
1 410 . 17 1 1 A 44 44 THR HA H 44 4.428 4.021 0.407 1
1 415 . 17 1 1 A 44 44 THR C C 44 175.428 173.436 1.992 1
1 416 . 17 1 1 A 44 44 THR CA C 44 66.563 67.678 -1.115 1
1 417 . 17 1 1 A 44 44 THR CB C 44 69.210 67.814 1.396 1
1 419 . 17 1 1 A 44 44 THR N N 44 117.903 118.561 -0.658 1
1 420 . 17 1 1 A 45 45 PRO HA H 45 4.188 4.319 -0.131 1
1 427 . 17 1 1 A 45 45 PRO C C 45 179.312 178.664 0.648 1
1 428 . 17 1 1 A 45 45 PRO CA C 45 66.163 65.560 0.603 1
1 429 . 17 1 1 A 45 45 PRO CB C 45 30.975 30.939 0.036 1
1 432 . 17 1 1 A 46 46 ASP H H 46 7.289 8.270 -0.981 1
1 433 . 17 1 1 A 46 46 ASP HA H 46 4.387 4.327 0.060 1
1 436 . 17 1 1 A 46 46 ASP C C 46 178.390 178.754 -0.364 1
1 437 . 17 1 1 A 46 46 ASP CA C 46 56.974 57.478 -0.504 1
1 438 . 17 1 1 A 46 46 ASP CB C 46 41.498 40.103 1.395 1
1 439 . 17 1 1 A 46 46 ASP N N 46 117.060 117.751 -0.691 1
1 440 . 17 1 1 A 47 47 ARG H H 47 8.493 7.921 0.572 1
1 441 . 17 1 1 A 47 47 ARG HA H 47 3.754 4.123 -0.369 1
1 448 . 17 1 1 A 47 47 ARG C C 47 177.880 178.674 -0.794 1
1 449 . 17 1 1 A 47 47 ARG CA C 47 60.123 58.539 1.584 1
1 450 . 17 1 1 A 47 47 ARG CB C 47 30.355 29.795 0.560 1
1 453 . 17 1 1 A 47 47 ARG N N 47 122.143 120.049 2.094 1
1 454 . 17 1 1 A 48 48 ILE H H 48 8.219 7.592 0.627 1
1 455 . 17 1 1 A 48 48 ILE HA H 48 3.475 3.644 -0.169 1
1 465 . 17 1 1 A 48 48 ILE C C 48 178.026 177.806 0.220 1
1 466 . 17 1 1 A 48 48 ILE CA C 48 66.105 65.371 0.734 1
1 467 . 17 1 1 A 48 48 ILE CB C 48 38.440 37.898 0.542 1
1 471 . 17 1 1 A 48 48 ILE N N 48 119.888 120.378 -0.490 1
1 472 . 17 1 1 A 49 49 ASP H H 49 7.775 8.322 -0.547 1
1 473 . 17 1 1 A 49 49 ASP HA H 49 4.406 4.583 -0.177 1
1 476 . 17 1 1 A 49 49 ASP C C 49 178.900 178.879 0.021 1
1 477 . 17 1 1 A 49 49 ASP CA C 49 57.380 57.252 0.128 1
1 478 . 17 1 1 A 49 49 ASP CB C 49 41.523 40.603 0.920 1
1 479 . 17 1 1 A 49 49 ASP N N 49 119.245 120.783 -1.538 1
1 480 . 17 1 1 A 50 50 LEU H H 50 8.344 8.063 0.281 1
1 481 . 17 1 1 A 50 50 LEU HA H 50 4.090 4.089 0.001 1
1 491 . 17 1 1 A 50 50 LEU C C 50 178.705 178.202 0.503 1
1 492 . 17 1 1 A 50 50 LEU CA C 50 57.651 57.909 -0.258 1
1 493 . 17 1 1 A 50 50 LEU CB C 50 42.526 41.706 0.820 1
1 497 . 17 1 1 A 50 50 LEU N N 50 121.649 120.849 0.800 1
1 498 . 17 1 1 A 51 51 ALA H H 51 8.513 8.649 -0.136 1
1 499 . 17 1 1 A 51 51 ALA HA H 51 3.611 3.901 -0.290 1
1 503 . 17 1 1 A 51 51 ALA C C 51 179.749 179.559 0.190 1
1 504 . 17 1 1 A 51 51 ALA CA C 51 56.139 55.030 1.109 1
1 505 . 17 1 1 A 51 51 ALA CB C 51 17.519 18.396 -0.877 1
1 506 . 17 1 1 A 51 51 ALA N N 51 120.902 120.670 0.232 1
1 507 . 17 1 1 A 52 52 GLU H H 52 8.285 7.534 0.751 1
1 508 . 17 1 1 A 52 52 GLU HA H 52 4.097 4.140 -0.043 1
1 513 . 17 1 1 A 52 52 GLU C C 52 180.114 179.137 0.977 1
1 514 . 17 1 1 A 52 52 GLU CA C 52 59.307 58.850 0.457 1
1 515 . 17 1 1 A 52 52 GLU CB C 52 29.408 28.820 0.588 1
1 517 . 17 1 1 A 52 52 GLU N N 52 116.933 118.884 -1.951 1
1 518 . 17 1 1 A 53 53 SER H H 53 8.229 7.837 0.392 1
1 519 . 17 1 1 A 53 53 SER HA H 53 4.251 4.295 -0.044 1
1 522 . 17 1 1 A 53 53 SER C C 53 176.059 177.008 -0.949 1
1 523 . 17 1 1 A 53 53 SER CA C 53 61.347 61.215 0.132 1
1 524 . 17 1 1 A 53 53 SER CB C 53 63.235 62.850 0.385 1
1 525 . 17 1 1 A 53 53 SER N N 53 114.615 115.752 -1.137 1
1 526 . 17 1 1 A 54 54 LEU H H 54 7.675 7.819 -0.144 1
1 527 . 17 1 1 A 54 54 LEU HA H 54 4.513 4.239 0.274 1
1 537 . 17 1 1 A 54 54 LEU C C 54 177.516 177.172 0.344 1
1 538 . 17 1 1 A 54 54 LEU CA C 54 54.422 55.403 -0.981 1
1 539 . 17 1 1 A 54 54 LEU CB C 54 43.880 42.738 1.142 1
1 543 . 17 1 1 A 54 54 LEU N N 54 117.401 118.704 -1.303 1
1 544 . 17 1 1 A 55 55 GLY H H 55 7.941 8.044 -0.103 1
1 545 . 17 1 1 A 55 55 GLY HA2 H 55 3.982 3.921 0.061 1
1 546 . 17 1 1 A 55 55 GLY HA3 H 55 4.026 3.921 0.105 1
1 547 . 17 1 1 A 55 55 GLY C C 55 174.360 174.390 -0.030 1
1 548 . 17 1 1 A 55 55 GLY CA C 55 46.728 46.204 0.524 1
1 549 . 17 1 1 A 55 55 GLY N N 55 111.061 106.715 4.346 1
1 550 . 17 1 1 A 56 56 LEU H H 56 8.190 7.939 0.251 1
1 551 . 17 1 1 A 56 56 LEU HA H 56 4.803 4.793 0.010 1
1 561 . 17 1 1 A 56 56 LEU C C 56 175.914 175.716 0.198 1
1 562 . 17 1 1 A 56 56 LEU CA C 56 52.510 53.380 -0.870 1
1 563 . 17 1 1 A 56 56 LEU CB C 56 47.484 43.452 4.032 1
1 567 . 17 1 1 A 56 56 LEU N N 56 119.967 121.060 -1.093 1
1 568 . 17 1 1 A 57 57 SER H H 57 9.037 8.983 0.054 1
1 569 . 17 1 1 A 57 57 SER HA H 57 4.423 4.766 -0.343 1
1 572 . 17 1 1 A 57 57 SER C C 57 176.618 175.300 1.318 1
1 573 . 17 1 1 A 57 57 SER CA C 57 56.189 58.279 -2.090 1
1 574 . 17 1 1 A 57 57 SER CB C 57 65.579 64.033 1.546 1
1 575 . 17 1 1 A 57 57 SER N N 57 115.098 117.311 -2.213 1
1 576 . 17 1 1 A 58 58 GLN HA H 58 3.741 3.966 -0.225 1
1 583 . 17 1 1 A 58 58 GLN C C 58 177.904 178.127 -0.223 1
1 584 . 17 1 1 A 58 58 GLN CA C 58 60.504 58.961 1.543 1
1 585 . 17 1 1 A 58 58 GLN CB C 58 28.365 28.227 0.138 1
1 588 . 17 1 1 A 59 59 LEU H H 59 8.207 8.058 0.149 1
1 589 . 17 1 1 A 59 59 LEU HA H 59 4.192 4.099 0.093 1
1 599 . 17 1 1 A 59 59 LEU C C 59 179.871 178.892 0.979 1
1 600 . 17 1 1 A 59 59 LEU CA C 59 57.878 57.868 0.010 1
1 601 . 17 1 1 A 59 59 LEU CB C 59 41.747 41.835 -0.088 1
1 605 . 17 1 1 A 59 59 LEU N N 59 120.246 121.348 -1.102 1
1 606 . 17 1 1 A 60 60 GLN H H 60 8.125 8.578 -0.453 1
1 607 . 17 1 1 A 60 60 GLN HA H 60 4.214 4.198 0.016 1
1 614 . 17 1 1 A 60 60 GLN C C 60 179.434 178.928 0.506 1
1 615 . 17 1 1 A 60 60 GLN CA C 60 59.530 58.848 0.682 1
1 616 . 17 1 1 A 60 60 GLN CB C 60 29.651 28.719 0.932 1
1 618 . 17 1 1 A 60 60 GLN N N 60 120.637 118.207 2.430 1
1 620 . 17 1 1 A 61 61 VAL H H 61 7.717 8.185 -0.468 1
1 621 . 17 1 1 A 61 61 VAL HA H 61 3.673 3.778 -0.105 1
1 629 . 17 1 1 A 61 61 VAL C C 61 176.982 177.939 -0.957 1
1 630 . 17 1 1 A 61 61 VAL CA C 61 67.670 67.205 0.465 1
1 631 . 17 1 1 A 61 61 VAL CB C 61 31.899 31.511 0.388 1
1 634 . 17 1 1 A 61 61 VAL N N 61 118.389 120.251 -1.862 1
1 635 . 17 1 1 A 62 62 LYS H H 62 8.578 7.922 0.656 1
1 636 . 17 1 1 A 62 62 LYS HA H 62 4.423 4.042 0.381 1
1 644 . 17 1 1 A 62 62 LYS C C 62 179.749 178.956 0.793 1
1 645 . 17 1 1 A 62 62 LYS CA C 62 59.821 59.941 -0.120 1
1 646 . 17 1 1 A 62 62 LYS CB C 62 33.793 32.640 1.153 1
1 650 . 17 1 1 A 62 62 LYS N N 62 120.540 120.344 0.196 1
1 651 . 17 1 1 A 63 63 THR H H 63 8.722 8.465 0.257 1
1 652 . 17 1 1 A 63 63 THR HA H 63 4.007 3.986 0.021 1
1 657 . 17 1 1 A 63 63 THR C C 63 176.059 176.546 -0.487 1
1 658 . 17 1 1 A 63 63 THR CA C 63 66.527 67.043 -0.516 1
1 659 . 17 1 1 A 63 63 THR CB C 63 69.236 68.680 0.556 1
1 661 . 17 1 1 A 63 63 THR N N 63 115.962 114.583 1.379 1
1 662 . 17 1 1 A 64 64 TRP H H 64 8.506 8.749 -0.243 1
1 663 . 17 1 1 A 64 64 TRP HA H 64 4.064 4.191 -0.127 1
1 672 . 17 1 1 A 64 64 TRP C C 64 179.264 178.012 1.252 1
1 673 . 17 1 1 A 64 64 TRP CA C 64 63.070 61.131 1.939 1
1 674 . 17 1 1 A 64 64 TRP CB C 64 29.048 29.651 -0.603 1
1 680 . 17 1 1 A 64 64 TRP N N 64 123.609 121.246 2.363 1
1 682 . 17 1 1 A 65 65 TYR H H 65 9.152 8.741 0.411 1
1 683 . 17 1 1 A 65 65 TYR HA H 65 3.660 4.591 -0.931 1
1 690 . 17 1 1 A 65 65 TYR C C 65 178.535 178.313 0.222 1
1 691 . 17 1 1 A 65 65 TYR CA C 65 63.749 62.044 1.705 1
1 692 . 17 1 1 A 65 65 TYR CB C 65 39.082 38.513 0.569 1
1 697 . 17 1 1 A 65 65 TYR N N 65 121.400 118.863 2.537 1
1 698 . 17 1 1 A 66 66 GLN H H 66 7.981 8.031 -0.050 1
1 699 . 17 1 1 A 66 66 GLN HA H 66 4.036 4.056 -0.020 1
1 706 . 17 1 1 A 66 66 GLN C C 66 179.045 178.655 0.390 1
1 707 . 17 1 1 A 66 66 GLN CA C 66 59.255 59.069 0.186 1
1 708 . 17 1 1 A 66 66 GLN CB C 66 28.207 28.041 0.166 1
1 710 . 17 1 1 A 66 66 GLN N N 66 116.821 119.715 -2.894 1
1 712 . 17 1 1 A 67 67 ASN H H 67 7.862 8.518 -0.656 1
1 713 . 17 1 1 A 67 67 ASN HA H 67 4.367 4.485 -0.118 1
1 718 . 17 1 1 A 67 67 ASN C C 67 177.759 177.073 0.686 1
1 719 . 17 1 1 A 67 67 ASN CA C 67 55.852 55.600 0.252 1
1 720 . 17 1 1 A 67 67 ASN CB C 67 38.119 38.028 0.091 1
1 721 . 17 1 1 A 67 67 ASN N N 67 118.257 117.432 0.825 1
1 723 . 17 1 1 A 68 68 ARG H H 68 8.533 8.052 0.481 1
1 724 . 17 1 1 A 68 68 ARG HA H 68 3.430 3.898 -0.468 1
1 732 . 17 1 1 A 68 68 ARG C C 68 179.992 178.228 1.764 1
1 733 . 17 1 1 A 68 68 ARG CA C 68 56.391 58.081 -1.690 1
1 734 . 17 1 1 A 68 68 ARG CB C 68 27.959 30.140 -2.181 1
1 737 . 17 1 1 A 68 68 ARG N N 68 123.922 119.014 4.908 1
1 739 . 17 1 1 A 69 69 ARG H H 69 8.226 8.526 -0.300 1
1 740 . 17 1 1 A 69 69 ARG HA H 69 4.357 4.406 -0.049 1
1 747 . 17 1 1 A 69 69 ARG C C 69 178.535 179.266 -0.731 1
1 748 . 17 1 1 A 69 69 ARG CA C 69 60.681 59.602 1.079 1
1 749 . 17 1 1 A 69 69 ARG CB C 69 31.938 30.165 1.773 1
1 752 . 17 1 1 A 69 69 ARG N N 69 118.839 119.775 -0.936 1
1 753 . 17 1 1 A 70 70 MET H H 70 7.480 8.383 -0.903 1
1 754 . 17 1 1 A 70 70 MET HA H 70 4.287 4.229 0.058 1
1 762 . 17 1 1 A 70 70 MET C C 70 178.098 178.125 -0.027 1
1 763 . 17 1 1 A 70 70 MET CA C 70 58.381 58.742 -0.361 1
1 764 . 17 1 1 A 70 70 MET CB C 70 32.011 32.670 -0.659 1
1 767 . 17 1 1 A 70 70 MET N N 70 118.164 118.328 -0.164 1
1 768 . 17 1 1 A 71 71 LYS H H 71 7.298 7.514 -0.216 1
1 769 . 17 1 1 A 71 71 LYS HA H 71 4.086 4.032 0.054 1
1 778 . 17 1 1 A 71 71 LYS C C 71 177.831 178.953 -1.122 1
1 779 . 17 1 1 A 71 71 LYS CA C 71 58.324 58.826 -0.502 1
1 780 . 17 1 1 A 71 71 LYS CB C 71 32.732 31.855 0.877 1
1 784 . 17 1 1 A 71 71 LYS N N 71 118.798 120.608 -1.810 1
1 785 . 17 1 1 A 72 72 TRP H H 72 7.952 8.193 -0.241 1
1 786 . 17 1 1 A 72 72 TRP HA H 72 4.721 4.325 0.396 1
1 795 . 17 1 1 A 72 72 TRP C C 72 177.152 176.844 0.308 1
1 796 . 17 1 1 A 72 72 TRP CA C 72 58.506 60.415 -1.909 1
1 797 . 17 1 1 A 72 72 TRP CB C 72 29.602 29.718 -0.116 1
1 803 . 17 1 1 A 72 72 TRP N N 72 121.455 121.824 -0.369 1
1 805 . 17 1 1 A 73 73 LYS H H 73 8.241 7.972 0.269 1
1 806 . 17 1 1 A 73 73 LYS HA H 73 3.781 3.516 0.265 1
1 815 . 17 1 1 A 73 73 LYS C C 73 176.957 177.126 -0.169 1
1 816 . 17 1 1 A 73 73 LYS CA C 73 57.074 55.967 1.107 1
1 817 . 17 1 1 A 73 73 LYS CB C 73 32.567 32.460 0.107 1
1 821 . 17 1 1 A 73 73 LYS N N 73 120.065 118.399 1.666 1
1 822 . 17 1 1 A 74 74 LYS H H 74 7.705 8.161 -0.456 1
1 823 . 17 1 1 A 74 74 LYS HA H 74 4.154 3.825 0.329 1
1 830 . 17 1 1 A 74 74 LYS C C 74 176.836 177.604 -0.768 1
1 831 . 17 1 1 A 74 74 LYS CA C 74 57.028 59.535 -2.507 1
1 832 . 17 1 1 A 74 74 LYS CB C 74 32.402 32.326 0.076 1
1 836 . 17 1 1 A 74 74 LYS N N 74 120.036 124.842 -4.806 1
1 837 . 17 1 1 A 75 75 SER H H 75 7.986 7.482 0.504 1
1 838 . 17 1 1 A 75 75 SER HA H 75 4.470 4.484 -0.014 1
1 841 . 17 1 1 A 75 75 SER C C 75 174.530 173.078 1.452 1
1 842 . 17 1 1 A 75 75 SER CA C 75 58.786 57.510 1.276 1
1 843 . 17 1 1 A 75 75 SER CB C 75 63.975 61.696 2.279 1
1 844 . 17 1 1 A 75 75 SER N N 75 115.488 112.615 2.873 1
1 845 . 17 1 1 A 76 76 GLY H H 76 8.040 8.290 -0.250 1
1 846 . 17 1 1 A 76 76 GLY HA2 H 76 4.076 4.024 0.052 1
1 847 . 17 1 1 A 76 76 GLY HA3 H 76 4.099 4.032 0.067 1
1 848 . 17 1 1 A 76 76 GLY C C 76 171.835 174.221 -2.386 1
1 849 . 17 1 1 A 76 76 GLY CA C 76 44.789 44.107 0.682 1
1 850 . 17 1 1 A 76 76 GLY N N 76 110.454 111.878 -1.424 1
1 851 . 17 1 1 A 77 77 PRO HA H 77 4.456 4.492 -0.036 1
1 856 . 17 1 1 A 77 77 PRO CA C 77 63.323 64.076 -0.753 1
1 857 . 17 1 1 A 77 77 PRO CB C 77 32.209 31.608 0.601 1
1 860 . 17 1 1 A 79 79 SER HA H 79 4.506 4.890 -0.384 1
1 863 . 17 1 1 A 79 79 SER C C 79 173.947 176.254 -2.307 1
1 864 . 17 1 1 A 79 79 SER CA C 79 58.433 56.855 1.578 1
1 865 . 17 1 1 A 79 79 SER CB C 79 63.960 66.025 -2.065 1
1 1 . 18 1 1 A 7 7 GLY HA2 H 7 4.014 4.410 -0.396 1
1 2 . 18 1 1 A 7 7 GLY HA3 H 7 4.014 4.410 -0.396 1
1 3 . 18 1 1 A 7 7 GLY C C 7 174.578 172.479 2.099 1
1 4 . 18 1 1 A 7 7 GLY CA C 7 45.445 45.567 -0.122 1
1 5 . 18 1 1 A 8 8 GLY H H 8 8.219 8.223 -0.004 1
1 6 . 18 1 1 A 8 8 GLY HA2 H 8 3.959 4.222 -0.263 1
1 7 . 18 1 1 A 8 8 GLY HA3 H 8 3.959 4.222 -0.263 1
1 8 . 18 1 1 A 8 8 GLY C C 8 173.898 173.301 0.597 1
1 9 . 18 1 1 A 8 8 GLY CA C 8 44.923 46.223 -1.300 1
1 10 . 18 1 1 A 8 8 GLY N N 8 108.655 108.359 0.296 1
1 11 . 18 1 1 A 9 9 GLU H H 9 8.378 8.689 -0.311 1
1 12 . 18 1 1 A 9 9 GLU HA H 9 4.586 3.909 0.677 1
1 16 . 18 1 1 A 9 9 GLU C C 9 175.015 174.853 0.162 1
1 17 . 18 1 1 A 9 9 GLU CA C 9 54.661 56.980 -2.319 1
1 18 . 18 1 1 A 9 9 GLU CB C 9 29.534 28.122 1.412 1
1 20 . 18 1 1 A 9 9 GLU N N 9 121.838 120.085 1.753 1
1 21 . 18 1 1 A 10 10 PRO HA H 10 4.428 4.571 -0.143 1
1 28 . 18 1 1 A 10 10 PRO C C 10 177.856 176.522 1.334 1
1 29 . 18 1 1 A 10 10 PRO CA C 10 63.767 62.343 1.424 1
1 30 . 18 1 1 A 10 10 PRO CB C 10 32.080 33.062 -0.982 1
1 33 . 18 1 1 A 11 11 GLY H H 11 8.556 8.432 0.124 1
1 34 . 18 1 1 A 11 11 GLY HA2 H 11 3.997 4.199 -0.202 1
1 35 . 18 1 1 A 11 11 GLY HA3 H 11 3.997 4.199 -0.202 1
1 36 . 18 1 1 A 11 11 GLY C C 11 174.724 172.375 2.349 1
1 37 . 18 1 1 A 11 11 GLY CA C 11 45.529 44.199 1.330 1
1 38 . 18 1 1 A 11 11 GLY N N 11 108.931 107.266 1.665 1
1 39 . 18 1 1 A 12 12 THR H H 12 7.973 8.667 -0.694 1
1 40 . 18 1 1 A 12 12 THR HA H 12 4.306 4.899 -0.593 1
1 45 . 18 1 1 A 12 12 THR C C 12 174.942 171.994 2.948 1
1 46 . 18 1 1 A 12 12 THR CA C 12 62.240 60.929 1.311 1
1 47 . 18 1 1 A 12 12 THR CB C 12 69.882 70.947 -1.065 1
1 49 . 18 1 1 A 12 12 THR N N 12 113.454 112.866 0.588 1
1 50 . 18 1 1 A 13 13 LYS H H 13 8.313 8.501 -0.188 1
1 51 . 18 1 1 A 13 13 LYS HA H 13 4.281 5.156 -0.875 1
1 58 . 18 1 1 A 13 13 LYS C C 13 176.520 175.158 1.362 1
1 59 . 18 1 1 A 13 13 LYS CA C 13 56.565 54.839 1.726 1
1 60 . 18 1 1 A 13 13 LYS CB C 13 32.590 36.904 -4.314 1
1 64 . 18 1 1 A 13 13 LYS N N 13 123.479 124.677 -1.198 1
1 65 . 18 1 1 A 14 14 ALA H H 14 8.192 8.503 -0.311 1
1 66 . 18 1 1 A 14 14 ALA HA H 14 4.272 4.844 -0.572 1
1 70 . 18 1 1 A 14 14 ALA C C 14 177.807 175.268 2.539 1
1 71 . 18 1 1 A 14 14 ALA CA C 14 52.581 51.370 1.211 1
1 72 . 18 1 1 A 14 14 ALA CB C 14 19.258 23.110 -3.852 1
1 73 . 18 1 1 A 14 14 ALA N N 14 124.692 121.469 3.223 1
1 74 . 18 1 1 A 15 15 LYS H H 15 8.264 8.382 -0.118 1
1 75 . 18 1 1 A 15 15 LYS HA H 15 4.296 4.968 -0.672 1
1 81 . 18 1 1 A 15 15 LYS C C 15 176.812 174.519 2.293 1
1 82 . 18 1 1 A 15 15 LYS CA C 15 56.403 54.280 2.123 1
1 83 . 18 1 1 A 15 15 LYS CB C 15 32.979 35.743 -2.764 1
1 87 . 18 1 1 A 15 15 LYS N N 15 120.979 117.533 3.446 1
1 88 . 18 1 1 A 16 16 LYS H H 16 8.330 8.560 -0.230 1
1 89 . 18 1 1 A 16 16 LYS HA H 16 4.289 4.998 -0.709 1
1 93 . 18 1 1 A 16 16 LYS C C 16 177.103 176.640 0.463 1
1 94 . 18 1 1 A 16 16 LYS CB C 16 33.072 35.115 -2.043 1
1 98 . 18 1 1 A 16 16 LYS N N 16 122.581 122.257 0.324 1
1 99 . 18 1 1 A 22 22 THR HA H 22 4.294 4.390 -0.096 1
1 104 . 18 1 1 A 22 22 THR C C 22 174.020 174.766 -0.746 1
1 105 . 18 1 1 A 22 22 THR CA C 22 61.928 62.768 -0.840 1
1 106 . 18 1 1 A 22 22 THR CB C 22 69.730 69.287 0.443 1
1 108 . 18 1 1 A 23 23 VAL H H 23 8.087 8.777 -0.690 1
1 109 . 18 1 1 A 23 23 VAL HA H 23 4.112 4.479 -0.367 1
1 117 . 18 1 1 A 23 23 VAL C C 23 175.646 175.378 0.268 1
1 118 . 18 1 1 A 23 23 VAL CA C 23 62.011 60.583 1.428 1
1 119 . 18 1 1 A 23 23 VAL CB C 23 33.060 32.177 0.883 1
1 122 . 18 1 1 A 23 23 VAL N N 23 123.252 122.898 0.354 1
1 123 . 18 1 1 A 24 24 PHE H H 24 8.220 7.607 0.613 1
1 124 . 18 1 1 A 24 24 PHE HA H 24 4.976 4.566 0.410 1
1 132 . 18 1 1 A 24 24 PHE C C 24 176.739 175.838 0.901 1
1 133 . 18 1 1 A 24 24 PHE CA C 24 56.389 57.366 -0.977 1
1 134 . 18 1 1 A 24 24 PHE CB C 24 40.492 40.226 0.266 1
1 140 . 18 1 1 A 24 24 PHE N N 24 123.332 123.549 -0.217 1
1 141 . 18 1 1 A 25 25 THR H H 25 9.003 8.783 0.220 1
1 142 . 18 1 1 A 25 25 THR HA H 25 4.470 4.646 -0.176 1
1 147 . 18 1 1 A 25 25 THR C C 25 175.209 176.207 -0.998 1
1 148 . 18 1 1 A 25 25 THR CA C 25 60.598 61.139 -0.541 1
1 149 . 18 1 1 A 25 25 THR CB C 25 70.801 70.471 0.330 1
1 151 . 18 1 1 A 25 25 THR N N 25 113.078 115.249 -2.171 1
1 152 . 18 1 1 A 26 26 GLU H H 26 8.991 8.929 0.062 1
1 153 . 18 1 1 A 26 26 GLU HA H 26 4.036 3.953 0.083 1
1 158 . 18 1 1 A 26 26 GLU C C 26 179.118 178.506 0.612 1
1 159 . 18 1 1 A 26 26 GLU CA C 26 60.222 59.750 0.472 1
1 160 . 18 1 1 A 26 26 GLU CB C 26 29.271 29.284 -0.013 1
1 162 . 18 1 1 A 26 26 GLU N N 26 120.978 122.363 -1.385 1
1 163 . 18 1 1 A 27 27 LEU H H 27 8.120 8.060 0.060 1
1 164 . 18 1 1 A 27 27 LEU HA H 27 4.117 4.068 0.049 1
1 174 . 18 1 1 A 27 27 LEU C C 27 180.623 178.846 1.777 1
1 175 . 18 1 1 A 27 27 LEU CA C 27 58.187 57.926 0.261 1
1 176 . 18 1 1 A 27 27 LEU CB C 27 42.220 41.877 0.343 1
1 180 . 18 1 1 A 27 27 LEU N N 27 118.897 121.334 -2.437 1
1 181 . 18 1 1 A 28 28 GLN H H 28 7.733 7.836 -0.103 1
1 182 . 18 1 1 A 28 28 GLN HA H 28 3.864 3.962 -0.098 1
1 189 . 18 1 1 A 28 28 GLN C C 28 177.492 178.982 -1.490 1
1 190 . 18 1 1 A 28 28 GLN CA C 28 59.212 58.641 0.571 1
1 191 . 18 1 1 A 28 28 GLN CB C 28 27.740 28.282 -0.542 1
1 193 . 18 1 1 A 28 28 GLN N N 28 119.947 117.916 2.031 1
1 195 . 18 1 1 A 29 29 LEU H H 29 8.336 8.384 -0.048 1
1 196 . 18 1 1 A 29 29 LEU HA H 29 3.665 3.689 -0.024 1
1 206 . 18 1 1 A 29 29 LEU C C 29 179.118 178.772 0.346 1
1 207 . 18 1 1 A 29 29 LEU CA C 29 58.068 57.779 0.289 1
1 208 . 18 1 1 A 29 29 LEU CB C 29 41.582 41.529 0.053 1
1 212 . 18 1 1 A 29 29 LEU N N 29 118.154 119.773 -1.619 1
1 213 . 18 1 1 A 30 30 MET H H 30 8.282 8.132 0.150 1
1 214 . 18 1 1 A 30 30 MET HA H 30 4.118 4.078 0.040 1
1 222 . 18 1 1 A 30 30 MET C C 30 179.070 178.567 0.503 1
1 223 . 18 1 1 A 30 30 MET CA C 30 58.583 58.653 -0.070 1
1 224 . 18 1 1 A 30 30 MET CB C 30 32.665 32.117 0.548 1
1 227 . 18 1 1 A 30 30 MET N N 30 117.314 118.698 -1.384 1
1 228 . 18 1 1 A 31 31 GLY H H 31 7.904 8.214 -0.310 1
1 229 . 18 1 1 A 31 31 GLY HA2 H 31 3.787 3.573 0.214 1
1 230 . 18 1 1 A 31 31 GLY HA3 H 31 3.631 3.596 0.035 1
1 231 . 18 1 1 A 31 31 GLY C C 31 176.618 175.958 0.660 1
1 232 . 18 1 1 A 31 31 GLY CA C 31 47.231 47.264 -0.033 1
1 233 . 18 1 1 A 31 31 GLY N N 31 107.053 107.230 -0.177 1
1 234 . 18 1 1 A 32 32 LEU H H 32 7.982 8.522 -0.540 1
1 235 . 18 1 1 A 32 32 LEU HA H 32 3.577 3.843 -0.266 1
1 245 . 18 1 1 A 32 32 LEU C C 32 177.564 179.016 -1.452 1
1 246 . 18 1 1 A 32 32 LEU CA C 32 58.318 57.628 0.690 1
1 247 . 18 1 1 A 32 32 LEU CB C 32 38.280 40.541 -2.261 1
1 251 . 18 1 1 A 32 32 LEU N N 32 125.323 122.423 2.900 1
1 252 . 18 1 1 A 33 33 GLU H H 33 8.054 8.027 0.027 1
1 253 . 18 1 1 A 33 33 GLU HA H 33 4.283 4.099 0.184 1
1 258 . 18 1 1 A 33 33 GLU C C 33 180.041 179.225 0.816 1
1 259 . 18 1 1 A 33 33 GLU CA C 33 59.157 59.879 -0.722 1
1 260 . 18 1 1 A 33 33 GLU CB C 33 29.155 29.581 -0.426 1
1 262 . 18 1 1 A 33 33 GLU N N 33 118.448 117.604 0.844 1
1 263 . 18 1 1 A 34 34 LYS H H 34 8.229 7.985 0.244 1
1 264 . 18 1 1 A 34 34 LYS HA H 34 4.099 3.972 0.127 1
1 271 . 18 1 1 A 34 34 LYS C C 34 179.822 179.232 0.590 1
1 272 . 18 1 1 A 34 34 LYS CA C 34 58.789 59.764 -0.975 1
1 273 . 18 1 1 A 34 34 LYS CB C 34 32.073 32.528 -0.455 1
1 277 . 18 1 1 A 34 34 LYS N N 34 118.230 120.958 -2.728 1
1 278 . 18 1 1 A 35 35 ARG H H 35 7.560 7.674 -0.114 1
1 279 . 18 1 1 A 35 35 ARG HA H 35 4.190 4.092 0.098 1
1 286 . 18 1 1 A 35 35 ARG C C 35 178.001 178.644 -0.643 1
1 287 . 18 1 1 A 35 35 ARG CA C 35 57.095 59.444 -2.349 1
1 288 . 18 1 1 A 35 35 ARG CB C 35 28.882 30.046 -1.164 1
1 291 . 18 1 1 A 35 35 ARG N N 35 120.162 118.495 1.667 1
1 292 . 18 1 1 A 36 36 PHE H H 36 8.810 8.288 0.522 1
1 293 . 18 1 1 A 36 36 PHE HA H 36 4.227 3.805 0.422 1
1 301 . 18 1 1 A 36 36 PHE C C 36 176.520 177.224 -0.704 1
1 302 . 18 1 1 A 36 36 PHE CA C 36 60.886 61.635 -0.749 1
1 303 . 18 1 1 A 36 36 PHE CB C 36 39.333 39.057 0.276 1
1 309 . 18 1 1 A 36 36 PHE N N 36 122.860 120.558 2.302 1
1 310 . 18 1 1 A 37 37 GLU H H 37 7.772 8.523 -0.751 1
1 311 . 18 1 1 A 37 37 GLU HA H 37 3.701 3.936 -0.235 1
1 316 . 18 1 1 A 37 37 GLU C C 37 177.297 178.965 -1.668 1
1 317 . 18 1 1 A 37 37 GLU CA C 37 59.036 59.940 -0.904 1
1 318 . 18 1 1 A 37 37 GLU CB C 37 29.981 29.639 0.342 1
1 320 . 18 1 1 A 37 37 GLU N N 37 116.313 117.632 -1.319 1
1 321 . 18 1 1 A 38 38 LYS H H 38 7.005 7.826 -0.821 1
1 322 . 18 1 1 A 38 38 LYS HA H 38 4.280 4.155 0.125 1
1 329 . 18 1 1 A 38 38 LYS C C 38 177.079 176.997 0.082 1
1 330 . 18 1 1 A 38 38 LYS CA C 38 56.741 58.880 -2.139 1
1 331 . 18 1 1 A 38 38 LYS CB C 38 34.301 32.537 1.764 1
1 335 . 18 1 1 A 38 38 LYS N N 38 114.632 119.985 -5.353 1
1 336 . 18 1 1 A 39 39 GLN H H 39 8.641 8.251 0.390 1
1 337 . 18 1 1 A 39 39 GLN HA H 39 4.509 4.505 0.004 1
1 344 . 18 1 1 A 39 39 GLN C C 39 173.340 175.725 -2.385 1
1 345 . 18 1 1 A 39 39 GLN CA C 39 55.527 54.690 0.837 1
1 346 . 18 1 1 A 39 39 GLN CB C 39 31.827 29.919 1.908 1
1 348 . 18 1 1 A 39 39 GLN N N 39 120.830 117.880 2.950 1
1 350 . 18 1 1 A 40 40 LYS H H 40 8.474 8.364 0.110 1
1 351 . 18 1 1 A 40 40 LYS HA H 40 3.598 3.273 0.325 1
1 360 . 18 1 1 A 40 40 LYS C C 40 174.530 176.152 -1.622 1
1 361 . 18 1 1 A 40 40 LYS CA C 40 56.459 59.114 -2.655 1
1 362 . 18 1 1 A 40 40 LYS CB C 40 32.276 32.148 0.128 1
1 366 . 18 1 1 A 40 40 LYS N N 40 125.122 126.209 -1.087 1
1 367 . 18 1 1 A 41 41 TYR H H 41 7.513 7.812 -0.299 1
1 368 . 18 1 1 A 41 41 TYR HA H 41 4.537 5.312 -0.775 1
1 375 . 18 1 1 A 41 41 TYR C C 41 174.700 174.584 0.116 1
1 376 . 18 1 1 A 41 41 TYR CA C 41 56.743 56.490 0.253 1
1 377 . 18 1 1 A 41 41 TYR CB C 41 41.274 42.054 -0.780 1
1 382 . 18 1 1 A 41 41 TYR N N 41 113.703 115.580 -1.877 1
1 383 . 18 1 1 A 42 42 LEU H H 42 8.544 8.973 -0.429 1
1 384 . 18 1 1 A 42 42 LEU HA H 42 4.610 4.787 -0.177 1
1 394 . 18 1 1 A 42 42 LEU C C 42 177.273 176.524 0.749 1
1 395 . 18 1 1 A 42 42 LEU CA C 42 53.408 53.126 0.282 1
1 396 . 18 1 1 A 42 42 LEU CB C 42 44.040 44.725 -0.685 1
1 400 . 18 1 1 A 42 42 LEU N N 42 123.003 122.148 0.855 1
1 401 . 18 1 1 A 43 43 SER H H 43 8.651 8.614 0.037 1
1 402 . 18 1 1 A 43 43 SER HA H 43 4.621 4.462 0.159 1
1 405 . 18 1 1 A 43 43 SER C C 43 174.530 175.644 -1.114 1
1 406 . 18 1 1 A 43 43 SER CA C 43 57.053 58.928 -1.875 1
1 407 . 18 1 1 A 43 43 SER CB C 43 64.786 64.343 0.443 1
1 408 . 18 1 1 A 43 43 SER N N 43 118.850 119.723 -0.873 1
1 409 . 18 1 1 A 44 44 THR H H 44 9.159 8.794 0.365 1
1 410 . 18 1 1 A 44 44 THR HA H 44 4.428 3.986 0.442 1
1 415 . 18 1 1 A 44 44 THR C C 44 175.428 173.650 1.778 1
1 416 . 18 1 1 A 44 44 THR CA C 44 66.563 67.556 -0.993 1
1 417 . 18 1 1 A 44 44 THR CB C 44 69.210 67.231 1.979 1
1 419 . 18 1 1 A 44 44 THR N N 44 117.903 117.137 0.766 1
1 420 . 18 1 1 A 45 45 PRO HA H 45 4.188 4.283 -0.095 1
1 427 . 18 1 1 A 45 45 PRO C C 45 179.312 178.660 0.652 1
1 428 . 18 1 1 A 45 45 PRO CA C 45 66.163 66.066 0.097 1
1 429 . 18 1 1 A 45 45 PRO CB C 45 30.975 30.468 0.507 1
1 432 . 18 1 1 A 46 46 ASP H H 46 7.289 8.284 -0.995 1
1 433 . 18 1 1 A 46 46 ASP HA H 46 4.387 4.331 0.056 1
1 436 . 18 1 1 A 46 46 ASP C C 46 178.390 178.748 -0.358 1
1 437 . 18 1 1 A 46 46 ASP CA C 46 56.974 57.595 -0.621 1
1 438 . 18 1 1 A 46 46 ASP CB C 46 41.498 40.309 1.189 1
1 439 . 18 1 1 A 46 46 ASP N N 46 117.060 117.800 -0.740 1
1 440 . 18 1 1 A 47 47 ARG H H 47 8.493 7.640 0.853 1
1 441 . 18 1 1 A 47 47 ARG HA H 47 3.754 3.993 -0.239 1
1 448 . 18 1 1 A 47 47 ARG C C 47 177.880 178.859 -0.979 1
1 449 . 18 1 1 A 47 47 ARG CA C 47 60.123 58.612 1.511 1
1 450 . 18 1 1 A 47 47 ARG CB C 47 30.355 30.046 0.309 1
1 453 . 18 1 1 A 47 47 ARG N N 47 122.143 120.556 1.587 1
1 454 . 18 1 1 A 48 48 ILE H H 48 8.219 7.449 0.770 1
1 455 . 18 1 1 A 48 48 ILE HA H 48 3.475 3.650 -0.175 1
1 465 . 18 1 1 A 48 48 ILE C C 48 178.026 177.877 0.149 1
1 466 . 18 1 1 A 48 48 ILE CA C 48 66.105 65.447 0.658 1
1 467 . 18 1 1 A 48 48 ILE CB C 48 38.440 38.276 0.164 1
1 471 . 18 1 1 A 48 48 ILE N N 48 119.888 120.432 -0.544 1
1 472 . 18 1 1 A 49 49 ASP H H 49 7.775 8.454 -0.679 1
1 473 . 18 1 1 A 49 49 ASP HA H 49 4.406 4.275 0.131 1
1 476 . 18 1 1 A 49 49 ASP C C 49 178.900 178.168 0.732 1
1 477 . 18 1 1 A 49 49 ASP CA C 49 57.380 57.445 -0.065 1
1 478 . 18 1 1 A 49 49 ASP CB C 49 41.523 41.362 0.161 1
1 479 . 18 1 1 A 49 49 ASP N N 49 119.245 120.407 -1.162 1
1 480 . 18 1 1 A 50 50 LEU H H 50 8.344 7.851 0.493 1
1 481 . 18 1 1 A 50 50 LEU HA H 50 4.090 4.057 0.033 1
1 491 . 18 1 1 A 50 50 LEU C C 50 178.705 178.221 0.484 1
1 492 . 18 1 1 A 50 50 LEU CA C 50 57.651 58.217 -0.566 1
1 493 . 18 1 1 A 50 50 LEU CB C 50 42.526 42.001 0.525 1
1 497 . 18 1 1 A 50 50 LEU N N 50 121.649 120.529 1.120 1
1 498 . 18 1 1 A 51 51 ALA H H 51 8.513 8.271 0.242 1
1 499 . 18 1 1 A 51 51 ALA HA H 51 3.611 3.963 -0.352 1
1 503 . 18 1 1 A 51 51 ALA C C 51 179.749 179.544 0.205 1
1 504 . 18 1 1 A 51 51 ALA CA C 51 56.139 54.928 1.211 1
1 505 . 18 1 1 A 51 51 ALA CB C 51 17.519 18.418 -0.899 1
1 506 . 18 1 1 A 51 51 ALA N N 51 120.902 120.264 0.638 1
1 507 . 18 1 1 A 52 52 GLU H H 52 8.285 7.637 0.648 1
1 508 . 18 1 1 A 52 52 GLU HA H 52 4.097 4.157 -0.060 1
1 513 . 18 1 1 A 52 52 GLU C C 52 180.114 179.112 1.002 1
1 514 . 18 1 1 A 52 52 GLU CA C 52 59.307 58.890 0.417 1
1 515 . 18 1 1 A 52 52 GLU CB C 52 29.408 29.311 0.097 1
1 517 . 18 1 1 A 52 52 GLU N N 52 116.933 118.218 -1.285 1
1 518 . 18 1 1 A 53 53 SER H H 53 8.229 8.223 0.006 1
1 519 . 18 1 1 A 53 53 SER HA H 53 4.251 4.219 0.032 1
1 522 . 18 1 1 A 53 53 SER C C 53 176.059 176.318 -0.259 1
1 523 . 18 1 1 A 53 53 SER CA C 53 61.347 61.384 -0.037 1
1 524 . 18 1 1 A 53 53 SER CB C 53 63.235 63.094 0.141 1
1 525 . 18 1 1 A 53 53 SER N N 53 114.615 115.976 -1.361 1
1 526 . 18 1 1 A 54 54 LEU H H 54 7.675 7.521 0.154 1
1 527 . 18 1 1 A 54 54 LEU HA H 54 4.513 4.354 0.159 1
1 537 . 18 1 1 A 54 54 LEU C C 54 177.516 177.244 0.272 1
1 538 . 18 1 1 A 54 54 LEU CA C 54 54.422 55.425 -1.003 1
1 539 . 18 1 1 A 54 54 LEU CB C 54 43.880 42.748 1.132 1
1 543 . 18 1 1 A 54 54 LEU N N 54 117.401 118.617 -1.216 1
1 544 . 18 1 1 A 55 55 GLY H H 55 7.941 8.191 -0.250 1
1 545 . 18 1 1 A 55 55 GLY HA2 H 55 3.982 3.925 0.057 1
1 546 . 18 1 1 A 55 55 GLY HA3 H 55 4.026 3.926 0.100 1
1 547 . 18 1 1 A 55 55 GLY C C 55 174.360 174.411 -0.051 1
1 548 . 18 1 1 A 55 55 GLY CA C 55 46.728 46.130 0.598 1
1 549 . 18 1 1 A 55 55 GLY N N 55 111.061 106.452 4.609 1
1 550 . 18 1 1 A 56 56 LEU H H 56 8.190 8.169 0.021 1
1 551 . 18 1 1 A 56 56 LEU HA H 56 4.803 4.778 0.025 1
1 561 . 18 1 1 A 56 56 LEU C C 56 175.914 175.483 0.431 1
1 562 . 18 1 1 A 56 56 LEU CA C 56 52.510 53.445 -0.935 1
1 563 . 18 1 1 A 56 56 LEU CB C 56 47.484 43.413 4.071 1
1 567 . 18 1 1 A 56 56 LEU N N 56 119.967 120.914 -0.947 1
1 568 . 18 1 1 A 57 57 SER H H 57 9.037 8.578 0.459 1
1 569 . 18 1 1 A 57 57 SER HA H 57 4.423 4.677 -0.254 1
1 572 . 18 1 1 A 57 57 SER C C 57 176.618 175.507 1.111 1
1 573 . 18 1 1 A 57 57 SER CA C 57 56.189 56.486 -0.297 1
1 574 . 18 1 1 A 57 57 SER CB C 57 65.579 64.548 1.031 1
1 575 . 18 1 1 A 57 57 SER N N 57 115.098 116.009 -0.911 1
1 576 . 18 1 1 A 58 58 GLN HA H 58 3.741 3.929 -0.188 1
1 583 . 18 1 1 A 58 58 GLN C C 58 177.904 178.150 -0.246 1
1 584 . 18 1 1 A 58 58 GLN CA C 58 60.504 59.265 1.239 1
1 585 . 18 1 1 A 58 58 GLN CB C 58 28.365 28.414 -0.049 1
1 588 . 18 1 1 A 59 59 LEU H H 59 8.207 8.158 0.049 1
1 589 . 18 1 1 A 59 59 LEU HA H 59 4.192 4.040 0.152 1
1 599 . 18 1 1 A 59 59 LEU C C 59 179.871 178.694 1.177 1
1 600 . 18 1 1 A 59 59 LEU CA C 59 57.878 58.155 -0.277 1
1 601 . 18 1 1 A 59 59 LEU CB C 59 41.747 41.632 0.115 1
1 605 . 18 1 1 A 59 59 LEU N N 59 120.246 121.676 -1.430 1
1 606 . 18 1 1 A 60 60 GLN H H 60 8.125 8.431 -0.306 1
1 607 . 18 1 1 A 60 60 GLN HA H 60 4.214 4.162 0.052 1
1 614 . 18 1 1 A 60 60 GLN C C 60 179.434 178.864 0.570 1
1 615 . 18 1 1 A 60 60 GLN CA C 60 59.530 59.205 0.325 1
1 616 . 18 1 1 A 60 60 GLN CB C 60 29.651 28.617 1.034 1
1 618 . 18 1 1 A 60 60 GLN N N 60 120.637 117.762 2.875 1
1 620 . 18 1 1 A 61 61 VAL H H 61 7.717 8.157 -0.440 1
1 621 . 18 1 1 A 61 61 VAL HA H 61 3.673 3.788 -0.115 1
1 629 . 18 1 1 A 61 61 VAL C C 61 176.982 177.884 -0.902 1
1 630 . 18 1 1 A 61 61 VAL CA C 61 67.670 67.186 0.484 1
1 631 . 18 1 1 A 61 61 VAL CB C 61 31.899 31.458 0.441 1
1 634 . 18 1 1 A 61 61 VAL N N 61 118.389 120.111 -1.722 1
1 635 . 18 1 1 A 62 62 LYS H H 62 8.578 7.947 0.631 1
1 636 . 18 1 1 A 62 62 LYS HA H 62 4.423 3.951 0.472 1
1 644 . 18 1 1 A 62 62 LYS C C 62 179.749 178.773 0.976 1
1 645 . 18 1 1 A 62 62 LYS CA C 62 59.821 59.971 -0.150 1
1 646 . 18 1 1 A 62 62 LYS CB C 62 33.793 32.633 1.160 1
1 650 . 18 1 1 A 62 62 LYS N N 62 120.540 120.514 0.026 1
1 651 . 18 1 1 A 63 63 THR H H 63 8.722 8.453 0.269 1
1 652 . 18 1 1 A 63 63 THR HA H 63 4.007 3.985 0.022 1
1 657 . 18 1 1 A 63 63 THR C C 63 176.059 176.685 -0.626 1
1 658 . 18 1 1 A 63 63 THR CA C 63 66.527 67.091 -0.564 1
1 659 . 18 1 1 A 63 63 THR CB C 63 69.236 68.612 0.624 1
1 661 . 18 1 1 A 63 63 THR N N 63 115.962 114.422 1.540 1
1 662 . 18 1 1 A 64 64 TRP H H 64 8.506 8.754 -0.248 1
1 663 . 18 1 1 A 64 64 TRP HA H 64 4.064 4.237 -0.173 1
1 672 . 18 1 1 A 64 64 TRP C C 64 179.264 178.053 1.211 1
1 673 . 18 1 1 A 64 64 TRP CA C 64 63.070 61.167 1.903 1
1 674 . 18 1 1 A 64 64 TRP CB C 64 29.048 29.692 -0.644 1
1 680 . 18 1 1 A 64 64 TRP N N 64 123.609 121.199 2.410 1
1 682 . 18 1 1 A 65 65 TYR H H 65 9.152 8.631 0.521 1
1 683 . 18 1 1 A 65 65 TYR HA H 65 3.660 4.351 -0.691 1
1 690 . 18 1 1 A 65 65 TYR C C 65 178.535 178.199 0.336 1
1 691 . 18 1 1 A 65 65 TYR CA C 65 63.749 61.911 1.838 1
1 692 . 18 1 1 A 65 65 TYR CB C 65 39.082 38.464 0.618 1
1 697 . 18 1 1 A 65 65 TYR N N 65 121.400 118.537 2.863 1
1 698 . 18 1 1 A 66 66 GLN H H 66 7.981 8.004 -0.023 1
1 699 . 18 1 1 A 66 66 GLN HA H 66 4.036 4.070 -0.034 1
1 706 . 18 1 1 A 66 66 GLN C C 66 179.045 178.384 0.661 1
1 707 . 18 1 1 A 66 66 GLN CA C 66 59.255 58.979 0.276 1
1 708 . 18 1 1 A 66 66 GLN CB C 66 28.207 28.729 -0.522 1
1 710 . 18 1 1 A 66 66 GLN N N 66 116.821 119.650 -2.829 1
1 712 . 18 1 1 A 67 67 ASN H H 67 7.862 8.153 -0.291 1
1 713 . 18 1 1 A 67 67 ASN HA H 67 4.367 4.465 -0.098 1
1 718 . 18 1 1 A 67 67 ASN C C 67 177.759 178.445 -0.686 1
1 719 . 18 1 1 A 67 67 ASN CA C 67 55.852 55.861 -0.009 1
1 720 . 18 1 1 A 67 67 ASN CB C 67 38.119 37.690 0.429 1
1 721 . 18 1 1 A 67 67 ASN N N 67 118.257 117.533 0.724 1
1 723 . 18 1 1 A 68 68 ARG H H 68 8.533 7.892 0.641 1
1 724 . 18 1 1 A 68 68 ARG HA H 68 3.430 3.632 -0.202 1
1 732 . 18 1 1 A 68 68 ARG C C 68 179.992 179.072 0.920 1
1 733 . 18 1 1 A 68 68 ARG CA C 68 56.391 59.617 -3.226 1
1 734 . 18 1 1 A 68 68 ARG CB C 68 27.959 29.096 -1.137 1
1 737 . 18 1 1 A 68 68 ARG N N 68 123.922 119.917 4.005 1
1 739 . 18 1 1 A 69 69 ARG H H 69 8.226 8.128 0.098 1
1 740 . 18 1 1 A 69 69 ARG HA H 69 4.357 4.340 0.017 1
1 747 . 18 1 1 A 69 69 ARG C C 69 178.535 178.848 -0.313 1
1 748 . 18 1 1 A 69 69 ARG CA C 69 60.681 59.368 1.313 1
1 749 . 18 1 1 A 69 69 ARG CB C 69 31.938 30.203 1.735 1
1 752 . 18 1 1 A 69 69 ARG N N 69 118.839 119.292 -0.453 1
1 753 . 18 1 1 A 70 70 MET H H 70 7.480 7.890 -0.410 1
1 754 . 18 1 1 A 70 70 MET HA H 70 4.287 4.071 0.216 1
1 762 . 18 1 1 A 70 70 MET C C 70 178.098 178.549 -0.451 1
1 763 . 18 1 1 A 70 70 MET CA C 70 58.381 59.033 -0.652 1
1 764 . 18 1 1 A 70 70 MET CB C 70 32.011 32.128 -0.117 1
1 767 . 18 1 1 A 70 70 MET N N 70 118.164 119.393 -1.229 1
1 768 . 18 1 1 A 71 71 LYS H H 71 7.298 7.615 -0.317 1
1 769 . 18 1 1 A 71 71 LYS HA H 71 4.086 3.970 0.116 1
1 778 . 18 1 1 A 71 71 LYS C C 71 177.831 178.344 -0.513 1
1 779 . 18 1 1 A 71 71 LYS CA C 71 58.324 59.149 -0.825 1
1 780 . 18 1 1 A 71 71 LYS CB C 71 32.732 32.170 0.562 1
1 784 . 18 1 1 A 71 71 LYS N N 71 118.798 119.535 -0.737 1
1 785 . 18 1 1 A 72 72 TRP H H 72 7.952 8.279 -0.327 1
1 786 . 18 1 1 A 72 72 TRP HA H 72 4.721 4.225 0.496 1
1 795 . 18 1 1 A 72 72 TRP C C 72 177.152 177.909 -0.757 1
1 796 . 18 1 1 A 72 72 TRP CA C 72 58.506 60.746 -2.240 1
1 797 . 18 1 1 A 72 72 TRP CB C 72 29.602 29.486 0.116 1
1 803 . 18 1 1 A 72 72 TRP N N 72 121.455 121.662 -0.207 1
1 805 . 18 1 1 A 73 73 LYS H H 73 8.241 8.446 -0.205 1
1 806 . 18 1 1 A 73 73 LYS HA H 73 3.781 3.169 0.612 1
1 815 . 18 1 1 A 73 73 LYS C C 73 176.957 176.866 0.091 1
1 816 . 18 1 1 A 73 73 LYS CA C 73 57.074 59.214 -2.140 1
1 817 . 18 1 1 A 73 73 LYS CB C 73 32.567 32.100 0.467 1
1 821 . 18 1 1 A 73 73 LYS N N 73 120.065 117.254 2.811 1
1 822 . 18 1 1 A 74 74 LYS H H 74 7.705 7.128 0.577 1
1 823 . 18 1 1 A 74 74 LYS HA H 74 4.154 4.654 -0.500 1
1 830 . 18 1 1 A 74 74 LYS C C 74 176.836 175.502 1.334 1
1 831 . 18 1 1 A 74 74 LYS CA C 74 57.028 55.507 1.521 1
1 832 . 18 1 1 A 74 74 LYS CB C 74 32.402 33.931 -1.529 1
1 836 . 18 1 1 A 74 74 LYS N N 74 120.036 119.690 0.346 1
1 837 . 18 1 1 A 75 75 SER H H 75 7.986 8.844 -0.858 1
1 838 . 18 1 1 A 75 75 SER HA H 75 4.470 5.192 -0.722 1
1 841 . 18 1 1 A 75 75 SER C C 75 174.530 172.857 1.673 1
1 842 . 18 1 1 A 75 75 SER CA C 75 58.786 56.405 2.381 1
1 843 . 18 1 1 A 75 75 SER CB C 75 63.975 65.895 -1.920 1
1 844 . 18 1 1 A 75 75 SER N N 75 115.488 120.265 -4.777 1
1 845 . 18 1 1 A 76 76 GLY H H 76 8.040 8.295 -0.255 1
1 846 . 18 1 1 A 76 76 GLY HA2 H 76 4.076 4.184 -0.108 1
1 847 . 18 1 1 A 76 76 GLY HA3 H 76 4.099 4.189 -0.090 1
1 848 . 18 1 1 A 76 76 GLY C C 76 171.835 172.452 -0.617 1
1 849 . 18 1 1 A 76 76 GLY CA C 76 44.789 44.638 0.151 1
1 850 . 18 1 1 A 76 76 GLY N N 76 110.454 110.776 -0.322 1
1 851 . 18 1 1 A 77 77 PRO HA H 77 4.456 4.819 -0.363 1
1 856 . 18 1 1 A 77 77 PRO CA C 77 63.323 62.504 0.819 1
1 857 . 18 1 1 A 77 77 PRO CB C 77 32.209 30.524 1.685 1
1 860 . 18 1 1 A 79 79 SER HA H 79 4.506 4.773 -0.267 1
1 863 . 18 1 1 A 79 79 SER C C 79 173.947 174.277 -0.330 1
1 864 . 18 1 1 A 79 79 SER CA C 79 58.433 57.808 0.625 1
1 865 . 18 1 1 A 79 79 SER CB C 79 63.960 64.769 -0.809 1
1 1 . 19 1 1 A 7 7 GLY HA2 H 7 4.014 4.111 -0.097 1
1 2 . 19 1 1 A 7 7 GLY HA3 H 7 4.014 4.115 -0.101 1
1 3 . 19 1 1 A 7 7 GLY C C 7 174.578 171.657 2.921 1
1 4 . 19 1 1 A 7 7 GLY CA C 7 45.445 44.510 0.935 1
1 5 . 19 1 1 A 8 8 GLY H H 8 8.219 8.408 -0.189 1
1 6 . 19 1 1 A 8 8 GLY HA2 H 8 3.959 4.388 -0.429 1
1 7 . 19 1 1 A 8 8 GLY HA3 H 8 3.959 4.391 -0.432 1
1 8 . 19 1 1 A 8 8 GLY C C 8 173.898 171.841 2.057 1
1 9 . 19 1 1 A 8 8 GLY CA C 8 44.923 45.747 -0.824 1
1 10 . 19 1 1 A 8 8 GLY N N 8 108.655 108.753 -0.098 1
1 11 . 19 1 1 A 9 9 GLU H H 9 8.378 8.513 -0.135 1
1 12 . 19 1 1 A 9 9 GLU HA H 9 4.586 4.808 -0.222 1
1 16 . 19 1 1 A 9 9 GLU C C 9 175.015 174.012 1.003 1
1 17 . 19 1 1 A 9 9 GLU CA C 9 54.661 53.190 1.471 1
1 18 . 19 1 1 A 9 9 GLU CB C 9 29.534 31.216 -1.682 1
1 20 . 19 1 1 A 9 9 GLU N N 9 121.838 120.746 1.092 1
1 21 . 19 1 1 A 10 10 PRO HA H 10 4.428 4.587 -0.159 1
1 28 . 19 1 1 A 10 10 PRO C C 10 177.856 175.885 1.971 1
1 29 . 19 1 1 A 10 10 PRO CA C 10 63.767 62.416 1.351 1
1 30 . 19 1 1 A 10 10 PRO CB C 10 32.080 33.369 -1.289 1
1 33 . 19 1 1 A 11 11 GLY H H 11 8.556 8.328 0.228 1
1 34 . 19 1 1 A 11 11 GLY HA2 H 11 3.997 4.148 -0.151 1
1 35 . 19 1 1 A 11 11 GLY HA3 H 11 3.997 4.152 -0.155 1
1 36 . 19 1 1 A 11 11 GLY C C 11 174.724 173.766 0.958 1
1 37 . 19 1 1 A 11 11 GLY CA C 11 45.529 44.828 0.701 1
1 38 . 19 1 1 A 11 11 GLY N N 11 108.931 106.871 2.060 1
1 39 . 19 1 1 A 12 12 THR H H 12 7.973 8.758 -0.785 1
1 40 . 19 1 1 A 12 12 THR HA H 12 4.306 4.267 0.039 1
1 45 . 19 1 1 A 12 12 THR C C 12 174.942 174.600 0.342 1
1 46 . 19 1 1 A 12 12 THR CA C 12 62.240 63.374 -1.134 1
1 47 . 19 1 1 A 12 12 THR CB C 12 69.882 69.524 0.358 1
1 49 . 19 1 1 A 12 12 THR N N 12 113.454 120.026 -6.572 1
1 50 . 19 1 1 A 13 13 LYS H H 13 8.313 8.536 -0.223 1
1 51 . 19 1 1 A 13 13 LYS HA H 13 4.281 4.977 -0.696 1
1 58 . 19 1 1 A 13 13 LYS C C 13 176.520 175.645 0.875 1
1 59 . 19 1 1 A 13 13 LYS CA C 13 56.565 55.166 1.399 1
1 60 . 19 1 1 A 13 13 LYS CB C 13 32.590 35.833 -3.243 1
1 64 . 19 1 1 A 13 13 LYS N N 13 123.479 122.527 0.952 1
1 65 . 19 1 1 A 14 14 ALA H H 14 8.192 8.728 -0.536 1
1 66 . 19 1 1 A 14 14 ALA HA H 14 4.272 4.319 -0.047 1
1 70 . 19 1 1 A 14 14 ALA C C 14 177.807 177.565 0.242 1
1 71 . 19 1 1 A 14 14 ALA CA C 14 52.581 54.130 -1.549 1
1 72 . 19 1 1 A 14 14 ALA CB C 14 19.258 18.933 0.325 1
1 73 . 19 1 1 A 14 14 ALA N N 14 124.692 122.664 2.028 1
1 74 . 19 1 1 A 15 15 LYS H H 15 8.264 7.609 0.655 1
1 75 . 19 1 1 A 15 15 LYS HA H 15 4.296 4.711 -0.415 1
1 81 . 19 1 1 A 15 15 LYS C C 15 176.812 174.088 2.724 1
1 82 . 19 1 1 A 15 15 LYS CA C 15 56.403 55.324 1.079 1
1 83 . 19 1 1 A 15 15 LYS CB C 15 32.979 36.197 -3.218 1
1 87 . 19 1 1 A 15 15 LYS N N 15 120.979 110.631 10.348 1
1 88 . 19 1 1 A 16 16 LYS H H 16 8.330 8.612 -0.282 1
1 89 . 19 1 1 A 16 16 LYS HA H 16 4.289 5.130 -0.841 1
1 93 . 19 1 1 A 16 16 LYS C C 16 177.103 175.792 1.311 1
1 94 . 19 1 1 A 16 16 LYS CB C 16 33.072 35.868 -2.796 1
1 98 . 19 1 1 A 16 16 LYS N N 16 122.581 120.854 1.727 1
1 99 . 19 1 1 A 22 22 THR HA H 22 4.294 5.300 -1.006 1
1 104 . 19 1 1 A 22 22 THR C C 22 174.020 173.163 0.857 1
1 105 . 19 1 1 A 22 22 THR CA C 22 61.928 60.058 1.870 1
1 106 . 19 1 1 A 22 22 THR CB C 22 69.730 71.517 -1.787 1
1 108 . 19 1 1 A 23 23 VAL H H 23 8.087 8.584 -0.497 1
1 109 . 19 1 1 A 23 23 VAL HA H 23 4.112 4.645 -0.533 1
1 117 . 19 1 1 A 23 23 VAL C C 23 175.646 174.989 0.657 1
1 118 . 19 1 1 A 23 23 VAL CA C 23 62.011 60.881 1.130 1
1 119 . 19 1 1 A 23 23 VAL CB C 23 33.060 33.203 -0.143 1
1 122 . 19 1 1 A 23 23 VAL N N 23 123.252 124.379 -1.127 1
1 123 . 19 1 1 A 24 24 PHE H H 24 8.220 9.290 -1.070 1
1 124 . 19 1 1 A 24 24 PHE HA H 24 4.976 5.063 -0.087 1
1 132 . 19 1 1 A 24 24 PHE C C 24 176.739 175.136 1.603 1
1 133 . 19 1 1 A 24 24 PHE CA C 24 56.389 56.692 -0.303 1
1 134 . 19 1 1 A 24 24 PHE CB C 24 40.492 42.498 -2.006 1
1 140 . 19 1 1 A 24 24 PHE N N 24 123.332 127.278 -3.946 1
1 141 . 19 1 1 A 25 25 THR H H 25 9.003 8.329 0.674 1
1 142 . 19 1 1 A 25 25 THR HA H 25 4.470 4.854 -0.384 1
1 147 . 19 1 1 A 25 25 THR C C 25 175.209 176.333 -1.124 1
1 148 . 19 1 1 A 25 25 THR CA C 25 60.598 60.072 0.526 1
1 149 . 19 1 1 A 25 25 THR CB C 25 70.801 71.662 -0.861 1
1 151 . 19 1 1 A 25 25 THR N N 25 113.078 113.248 -0.170 1
1 152 . 19 1 1 A 26 26 GLU H H 26 8.991 9.064 -0.073 1
1 153 . 19 1 1 A 26 26 GLU HA H 26 4.036 4.041 -0.005 1
1 158 . 19 1 1 A 26 26 GLU C C 26 179.118 178.714 0.404 1
1 159 . 19 1 1 A 26 26 GLU CA C 26 60.222 59.494 0.728 1
1 160 . 19 1 1 A 26 26 GLU CB C 26 29.271 29.392 -0.121 1
1 162 . 19 1 1 A 26 26 GLU N N 26 120.978 121.379 -0.401 1
1 163 . 19 1 1 A 27 27 LEU H H 27 8.120 8.002 0.118 1
1 164 . 19 1 1 A 27 27 LEU HA H 27 4.117 4.046 0.071 1
1 174 . 19 1 1 A 27 27 LEU C C 27 180.623 178.782 1.841 1
1 175 . 19 1 1 A 27 27 LEU CA C 27 58.187 58.048 0.139 1
1 176 . 19 1 1 A 27 27 LEU CB C 27 42.220 41.842 0.378 1
1 180 . 19 1 1 A 27 27 LEU N N 27 118.897 121.701 -2.804 1
1 181 . 19 1 1 A 28 28 GLN H H 28 7.733 8.100 -0.367 1
1 182 . 19 1 1 A 28 28 GLN HA H 28 3.864 3.947 -0.083 1
1 189 . 19 1 1 A 28 28 GLN C C 28 177.492 179.014 -1.522 1
1 190 . 19 1 1 A 28 28 GLN CA C 28 59.212 58.785 0.427 1
1 191 . 19 1 1 A 28 28 GLN CB C 28 27.740 28.287 -0.547 1
1 193 . 19 1 1 A 28 28 GLN N N 28 119.947 117.617 2.330 1
1 195 . 19 1 1 A 29 29 LEU H H 29 8.336 8.226 0.110 1
1 196 . 19 1 1 A 29 29 LEU HA H 29 3.665 3.716 -0.051 1
1 206 . 19 1 1 A 29 29 LEU C C 29 179.118 178.699 0.419 1
1 207 . 19 1 1 A 29 29 LEU CA C 29 58.068 57.721 0.347 1
1 208 . 19 1 1 A 29 29 LEU CB C 29 41.582 41.454 0.128 1
1 212 . 19 1 1 A 29 29 LEU N N 29 118.154 119.582 -1.428 1
1 213 . 19 1 1 A 30 30 MET H H 30 8.282 8.096 0.186 1
1 214 . 19 1 1 A 30 30 MET HA H 30 4.118 4.046 0.072 1
1 222 . 19 1 1 A 30 30 MET C C 30 179.070 178.870 0.200 1
1 223 . 19 1 1 A 30 30 MET CA C 30 58.583 58.730 -0.147 1
1 224 . 19 1 1 A 30 30 MET CB C 30 32.665 32.288 0.377 1
1 227 . 19 1 1 A 30 30 MET N N 30 117.314 118.705 -1.391 1
1 228 . 19 1 1 A 31 31 GLY H H 31 7.904 8.103 -0.199 1
1 229 . 19 1 1 A 31 31 GLY HA2 H 31 3.787 3.568 0.219 1
1 230 . 19 1 1 A 31 31 GLY HA3 H 31 3.631 3.592 0.039 1
1 231 . 19 1 1 A 31 31 GLY C C 31 176.618 175.680 0.938 1
1 232 . 19 1 1 A 31 31 GLY CA C 31 47.231 47.249 -0.018 1
1 233 . 19 1 1 A 31 31 GLY N N 31 107.053 107.268 -0.215 1
1 234 . 19 1 1 A 32 32 LEU H H 32 7.982 8.292 -0.310 1
1 235 . 19 1 1 A 32 32 LEU HA H 32 3.577 3.906 -0.329 1
1 245 . 19 1 1 A 32 32 LEU C C 32 177.564 179.337 -1.773 1
1 246 . 19 1 1 A 32 32 LEU CA C 32 58.318 57.672 0.646 1
1 247 . 19 1 1 A 32 32 LEU CB C 32 38.280 40.898 -2.618 1
1 251 . 19 1 1 A 32 32 LEU N N 32 125.323 122.500 2.823 1
1 252 . 19 1 1 A 33 33 GLU H H 33 8.054 8.248 -0.194 1
1 253 . 19 1 1 A 33 33 GLU HA H 33 4.283 4.163 0.120 1
1 258 . 19 1 1 A 33 33 GLU C C 33 180.041 179.475 0.566 1
1 259 . 19 1 1 A 33 33 GLU CA C 33 59.157 59.730 -0.573 1
1 260 . 19 1 1 A 33 33 GLU CB C 33 29.155 29.487 -0.332 1
1 262 . 19 1 1 A 33 33 GLU N N 33 118.448 117.830 0.618 1
1 263 . 19 1 1 A 34 34 LYS H H 34 8.229 7.672 0.557 1
1 264 . 19 1 1 A 34 34 LYS HA H 34 4.099 4.020 0.079 1
1 271 . 19 1 1 A 34 34 LYS C C 34 179.822 179.145 0.677 1
1 272 . 19 1 1 A 34 34 LYS CA C 34 58.789 59.602 -0.813 1
1 273 . 19 1 1 A 34 34 LYS CB C 34 32.073 32.158 -0.085 1
1 277 . 19 1 1 A 34 34 LYS N N 34 118.230 121.297 -3.067 1
1 278 . 19 1 1 A 35 35 ARG H H 35 7.560 8.129 -0.569 1
1 279 . 19 1 1 A 35 35 ARG HA H 35 4.190 4.097 0.093 1
1 286 . 19 1 1 A 35 35 ARG C C 35 178.001 179.129 -1.128 1
1 287 . 19 1 1 A 35 35 ARG CA C 35 57.095 59.445 -2.350 1
1 288 . 19 1 1 A 35 35 ARG CB C 35 28.882 30.292 -1.410 1
1 291 . 19 1 1 A 35 35 ARG N N 35 120.162 118.950 1.212 1
1 292 . 19 1 1 A 36 36 PHE H H 36 8.810 8.792 0.018 1
1 293 . 19 1 1 A 36 36 PHE HA H 36 4.227 4.026 0.201 1
1 301 . 19 1 1 A 36 36 PHE C C 36 176.520 177.762 -1.242 1
1 302 . 19 1 1 A 36 36 PHE CA C 36 60.886 61.185 -0.299 1
1 303 . 19 1 1 A 36 36 PHE CB C 36 39.333 38.921 0.412 1
1 309 . 19 1 1 A 36 36 PHE N N 36 122.860 120.932 1.928 1
1 310 . 19 1 1 A 37 37 GLU H H 37 7.772 8.887 -1.115 1
1 311 . 19 1 1 A 37 37 GLU HA H 37 3.701 4.151 -0.450 1
1 316 . 19 1 1 A 37 37 GLU C C 37 177.297 179.000 -1.703 1
1 317 . 19 1 1 A 37 37 GLU CA C 37 59.036 59.319 -0.283 1
1 318 . 19 1 1 A 37 37 GLU CB C 37 29.981 29.401 0.580 1
1 320 . 19 1 1 A 37 37 GLU N N 37 116.313 118.087 -1.774 1
1 321 . 19 1 1 A 38 38 LYS H H 38 7.005 7.690 -0.685 1
1 322 . 19 1 1 A 38 38 LYS HA H 38 4.280 4.141 0.139 1
1 329 . 19 1 1 A 38 38 LYS C C 38 177.079 177.114 -0.035 1
1 330 . 19 1 1 A 38 38 LYS CA C 38 56.741 58.819 -2.078 1
1 331 . 19 1 1 A 38 38 LYS CB C 38 34.301 32.593 1.708 1
1 335 . 19 1 1 A 38 38 LYS N N 38 114.632 118.525 -3.893 1
1 336 . 19 1 1 A 39 39 GLN H H 39 8.641 8.073 0.568 1
1 337 . 19 1 1 A 39 39 GLN HA H 39 4.509 4.507 0.002 1
1 344 . 19 1 1 A 39 39 GLN C C 39 173.340 175.822 -2.482 1
1 345 . 19 1 1 A 39 39 GLN CA C 39 55.527 54.806 0.721 1
1 346 . 19 1 1 A 39 39 GLN CB C 39 31.827 30.107 1.720 1
1 348 . 19 1 1 A 39 39 GLN N N 39 120.830 117.747 3.083 1
1 350 . 19 1 1 A 40 40 LYS H H 40 8.474 8.421 0.053 1
1 351 . 19 1 1 A 40 40 LYS HA H 40 3.598 3.249 0.349 1
1 360 . 19 1 1 A 40 40 LYS C C 40 174.530 175.970 -1.440 1
1 361 . 19 1 1 A 40 40 LYS CA C 40 56.459 59.189 -2.730 1
1 362 . 19 1 1 A 40 40 LYS CB C 40 32.276 32.081 0.195 1
1 366 . 19 1 1 A 40 40 LYS N N 40 125.122 126.313 -1.191 1
1 367 . 19 1 1 A 41 41 TYR H H 41 7.513 7.841 -0.328 1
1 368 . 19 1 1 A 41 41 TYR HA H 41 4.537 5.248 -0.711 1
1 375 . 19 1 1 A 41 41 TYR C C 41 174.700 174.756 -0.056 1
1 376 . 19 1 1 A 41 41 TYR CA C 41 56.743 56.190 0.553 1
1 377 . 19 1 1 A 41 41 TYR CB C 41 41.274 42.592 -1.318 1
1 382 . 19 1 1 A 41 41 TYR N N 41 113.703 115.560 -1.857 1
1 383 . 19 1 1 A 42 42 LEU H H 42 8.544 8.892 -0.348 1
1 384 . 19 1 1 A 42 42 LEU HA H 42 4.610 4.841 -0.231 1
1 394 . 19 1 1 A 42 42 LEU C C 42 177.273 176.384 0.889 1
1 395 . 19 1 1 A 42 42 LEU CA C 42 53.408 53.288 0.120 1
1 396 . 19 1 1 A 42 42 LEU CB C 42 44.040 45.449 -1.409 1
1 400 . 19 1 1 A 42 42 LEU N N 42 123.003 121.904 1.099 1
1 401 . 19 1 1 A 43 43 SER H H 43 8.651 8.784 -0.133 1
1 402 . 19 1 1 A 43 43 SER HA H 43 4.621 4.493 0.128 1
1 405 . 19 1 1 A 43 43 SER C C 43 174.530 175.888 -1.358 1
1 406 . 19 1 1 A 43 43 SER CA C 43 57.053 58.827 -1.774 1
1 407 . 19 1 1 A 43 43 SER CB C 43 64.786 64.351 0.435 1
1 408 . 19 1 1 A 43 43 SER N N 43 118.850 119.663 -0.813 1
1 409 . 19 1 1 A 44 44 THR H H 44 9.159 8.832 0.327 1
1 410 . 19 1 1 A 44 44 THR HA H 44 4.428 3.989 0.439 1
1 415 . 19 1 1 A 44 44 THR C C 44 175.428 173.478 1.950 1
1 416 . 19 1 1 A 44 44 THR CA C 44 66.563 67.659 -1.096 1
1 417 . 19 1 1 A 44 44 THR CB C 44 69.210 67.623 1.587 1
1 419 . 19 1 1 A 44 44 THR N N 44 117.903 117.227 0.676 1
1 420 . 19 1 1 A 45 45 PRO HA H 45 4.188 4.307 -0.119 1
1 427 . 19 1 1 A 45 45 PRO C C 45 179.312 178.735 0.577 1
1 428 . 19 1 1 A 45 45 PRO CA C 45 66.163 65.577 0.586 1
1 429 . 19 1 1 A 45 45 PRO CB C 45 30.975 30.669 0.306 1
1 432 . 19 1 1 A 46 46 ASP H H 46 7.289 8.277 -0.988 1
1 433 . 19 1 1 A 46 46 ASP HA H 46 4.387 4.327 0.060 1
1 436 . 19 1 1 A 46 46 ASP C C 46 178.390 178.710 -0.320 1
1 437 . 19 1 1 A 46 46 ASP CA C 46 56.974 57.466 -0.492 1
1 438 . 19 1 1 A 46 46 ASP CB C 46 41.498 40.456 1.042 1
1 439 . 19 1 1 A 46 46 ASP N N 46 117.060 117.908 -0.848 1
1 440 . 19 1 1 A 47 47 ARG H H 47 8.493 8.174 0.319 1
1 441 . 19 1 1 A 47 47 ARG HA H 47 3.754 4.012 -0.258 1
1 448 . 19 1 1 A 47 47 ARG C C 47 177.880 178.626 -0.746 1
1 449 . 19 1 1 A 47 47 ARG CA C 47 60.123 58.943 1.180 1
1 450 . 19 1 1 A 47 47 ARG CB C 47 30.355 29.847 0.508 1
1 453 . 19 1 1 A 47 47 ARG N N 47 122.143 120.604 1.539 1
1 454 . 19 1 1 A 48 48 ILE H H 48 8.219 7.786 0.433 1
1 455 . 19 1 1 A 48 48 ILE HA H 48 3.475 3.553 -0.078 1
1 465 . 19 1 1 A 48 48 ILE C C 48 178.026 177.745 0.281 1
1 466 . 19 1 1 A 48 48 ILE CA C 48 66.105 65.433 0.672 1
1 467 . 19 1 1 A 48 48 ILE CB C 48 38.440 38.046 0.394 1
1 471 . 19 1 1 A 48 48 ILE N N 48 119.888 119.820 0.068 1
1 472 . 19 1 1 A 49 49 ASP H H 49 7.775 8.243 -0.468 1
1 473 . 19 1 1 A 49 49 ASP HA H 49 4.406 4.277 0.129 1
1 476 . 19 1 1 A 49 49 ASP C C 49 178.900 177.968 0.932 1
1 477 . 19 1 1 A 49 49 ASP CA C 49 57.380 57.422 -0.042 1
1 478 . 19 1 1 A 49 49 ASP CB C 49 41.523 41.218 0.305 1
1 479 . 19 1 1 A 49 49 ASP N N 49 119.245 120.284 -1.039 1
1 480 . 19 1 1 A 50 50 LEU H H 50 8.344 7.985 0.359 1
1 481 . 19 1 1 A 50 50 LEU HA H 50 4.090 4.001 0.089 1
1 491 . 19 1 1 A 50 50 LEU C C 50 178.705 178.324 0.381 1
1 492 . 19 1 1 A 50 50 LEU CA C 50 57.651 58.369 -0.718 1
1 493 . 19 1 1 A 50 50 LEU CB C 50 42.526 42.046 0.480 1
1 497 . 19 1 1 A 50 50 LEU N N 50 121.649 120.416 1.233 1
1 498 . 19 1 1 A 51 51 ALA H H 51 8.513 8.361 0.152 1
1 499 . 19 1 1 A 51 51 ALA HA H 51 3.611 3.990 -0.379 1
1 503 . 19 1 1 A 51 51 ALA C C 51 179.749 179.642 0.107 1
1 504 . 19 1 1 A 51 51 ALA CA C 51 56.139 55.216 0.923 1
1 505 . 19 1 1 A 51 51 ALA CB C 51 17.519 18.374 -0.855 1
1 506 . 19 1 1 A 51 51 ALA N N 51 120.902 120.137 0.765 1
1 507 . 19 1 1 A 52 52 GLU H H 52 8.285 7.694 0.591 1
1 508 . 19 1 1 A 52 52 GLU HA H 52 4.097 4.058 0.039 1
1 513 . 19 1 1 A 52 52 GLU C C 52 180.114 178.782 1.332 1
1 514 . 19 1 1 A 52 52 GLU CA C 52 59.307 59.415 -0.108 1
1 515 . 19 1 1 A 52 52 GLU CB C 52 29.408 29.847 -0.439 1
1 517 . 19 1 1 A 52 52 GLU N N 52 116.933 118.451 -1.518 1
1 518 . 19 1 1 A 53 53 SER H H 53 8.229 7.950 0.279 1
1 519 . 19 1 1 A 53 53 SER HA H 53 4.251 4.125 0.126 1
1 522 . 19 1 1 A 53 53 SER C C 53 176.059 177.081 -1.022 1
1 523 . 19 1 1 A 53 53 SER CA C 53 61.347 61.738 -0.391 1
1 524 . 19 1 1 A 53 53 SER CB C 53 63.235 63.084 0.151 1
1 525 . 19 1 1 A 53 53 SER N N 53 114.615 115.792 -1.177 1
1 526 . 19 1 1 A 54 54 LEU H H 54 7.675 7.571 0.104 1
1 527 . 19 1 1 A 54 54 LEU HA H 54 4.513 4.274 0.239 1
1 537 . 19 1 1 A 54 54 LEU C C 54 177.516 177.064 0.452 1
1 538 . 19 1 1 A 54 54 LEU CA C 54 54.422 55.302 -0.880 1
1 539 . 19 1 1 A 54 54 LEU CB C 54 43.880 42.655 1.225 1
1 543 . 19 1 1 A 54 54 LEU N N 54 117.401 118.614 -1.213 1
1 544 . 19 1 1 A 55 55 GLY H H 55 7.941 7.743 0.198 1
1 545 . 19 1 1 A 55 55 GLY HA2 H 55 3.982 3.936 0.046 1
1 546 . 19 1 1 A 55 55 GLY HA3 H 55 4.026 3.937 0.089 1
1 547 . 19 1 1 A 55 55 GLY C C 55 174.360 174.274 0.086 1
1 548 . 19 1 1 A 55 55 GLY CA C 55 46.728 44.900 1.828 1
1 549 . 19 1 1 A 55 55 GLY N N 55 111.061 105.788 5.273 1
1 550 . 19 1 1 A 56 56 LEU H H 56 8.190 7.779 0.411 1
1 551 . 19 1 1 A 56 56 LEU HA H 56 4.803 4.475 0.328 1
1 561 . 19 1 1 A 56 56 LEU C C 56 175.914 175.624 0.290 1
1 562 . 19 1 1 A 56 56 LEU CA C 56 52.510 54.501 -1.991 1
1 563 . 19 1 1 A 56 56 LEU CB C 56 47.484 42.552 4.932 1
1 567 . 19 1 1 A 56 56 LEU N N 56 119.967 123.056 -3.089 1
1 568 . 19 1 1 A 57 57 SER H H 57 9.037 8.810 0.227 1
1 569 . 19 1 1 A 57 57 SER HA H 57 4.423 4.868 -0.445 1
1 572 . 19 1 1 A 57 57 SER C C 57 176.618 175.324 1.294 1
1 573 . 19 1 1 A 57 57 SER CA C 57 56.189 57.504 -1.315 1
1 574 . 19 1 1 A 57 57 SER CB C 57 65.579 65.298 0.281 1
1 575 . 19 1 1 A 57 57 SER N N 57 115.098 116.579 -1.481 1
1 576 . 19 1 1 A 58 58 GLN HA H 58 3.741 3.939 -0.198 1
1 583 . 19 1 1 A 58 58 GLN C C 58 177.904 178.064 -0.160 1
1 584 . 19 1 1 A 58 58 GLN CA C 58 60.504 59.268 1.236 1
1 585 . 19 1 1 A 58 58 GLN CB C 58 28.365 28.384 -0.019 1
1 588 . 19 1 1 A 59 59 LEU H H 59 8.207 8.197 0.010 1
1 589 . 19 1 1 A 59 59 LEU HA H 59 4.192 4.039 0.153 1
1 599 . 19 1 1 A 59 59 LEU C C 59 179.871 178.615 1.256 1
1 600 . 19 1 1 A 59 59 LEU CA C 59 57.878 58.523 -0.645 1
1 601 . 19 1 1 A 59 59 LEU CB C 59 41.747 41.809 -0.062 1
1 605 . 19 1 1 A 59 59 LEU N N 59 120.246 121.820 -1.574 1
1 606 . 19 1 1 A 60 60 GLN H H 60 8.125 8.207 -0.082 1
1 607 . 19 1 1 A 60 60 GLN HA H 60 4.214 4.173 0.041 1
1 614 . 19 1 1 A 60 60 GLN C C 60 179.434 178.854 0.580 1
1 615 . 19 1 1 A 60 60 GLN CA C 60 59.530 59.383 0.147 1
1 616 . 19 1 1 A 60 60 GLN CB C 60 29.651 28.509 1.142 1
1 618 . 19 1 1 A 60 60 GLN N N 60 120.637 117.903 2.734 1
1 620 . 19 1 1 A 61 61 VAL H H 61 7.717 7.616 0.101 1
1 621 . 19 1 1 A 61 61 VAL HA H 61 3.673 3.788 -0.115 1
1 629 . 19 1 1 A 61 61 VAL C C 61 176.982 177.856 -0.874 1
1 630 . 19 1 1 A 61 61 VAL CA C 61 67.670 67.124 0.546 1
1 631 . 19 1 1 A 61 61 VAL CB C 61 31.899 31.437 0.462 1
1 634 . 19 1 1 A 61 61 VAL N N 61 118.389 120.090 -1.701 1
1 635 . 19 1 1 A 62 62 LYS H H 62 8.578 8.029 0.549 1
1 636 . 19 1 1 A 62 62 LYS HA H 62 4.423 4.052 0.371 1
1 644 . 19 1 1 A 62 62 LYS C C 62 179.749 178.963 0.786 1
1 645 . 19 1 1 A 62 62 LYS CA C 62 59.821 59.918 -0.097 1
1 646 . 19 1 1 A 62 62 LYS CB C 62 33.793 32.539 1.254 1
1 650 . 19 1 1 A 62 62 LYS N N 62 120.540 120.539 0.001 1
1 651 . 19 1 1 A 63 63 THR H H 63 8.722 8.478 0.244 1
1 652 . 19 1 1 A 63 63 THR HA H 63 4.007 4.000 0.007 1
1 657 . 19 1 1 A 63 63 THR C C 63 176.059 176.651 -0.592 1
1 658 . 19 1 1 A 63 63 THR CA C 63 66.527 67.098 -0.571 1
1 659 . 19 1 1 A 63 63 THR CB C 63 69.236 68.652 0.584 1
1 661 . 19 1 1 A 63 63 THR N N 63 115.962 114.484 1.478 1
1 662 . 19 1 1 A 64 64 TRP H H 64 8.506 8.757 -0.251 1
1 663 . 19 1 1 A 64 64 TRP HA H 64 4.064 4.223 -0.159 1
1 672 . 19 1 1 A 64 64 TRP C C 64 179.264 178.063 1.201 1
1 673 . 19 1 1 A 64 64 TRP CA C 64 63.070 61.200 1.870 1
1 674 . 19 1 1 A 64 64 TRP CB C 64 29.048 29.655 -0.607 1
1 680 . 19 1 1 A 64 64 TRP N N 64 123.609 121.172 2.437 1
1 682 . 19 1 1 A 65 65 TYR H H 65 9.152 8.902 0.250 1
1 683 . 19 1 1 A 65 65 TYR HA H 65 3.660 4.365 -0.705 1
1 690 . 19 1 1 A 65 65 TYR C C 65 178.535 178.267 0.268 1
1 691 . 19 1 1 A 65 65 TYR CA C 65 63.749 61.651 2.098 1
1 692 . 19 1 1 A 65 65 TYR CB C 65 39.082 38.515 0.567 1
1 697 . 19 1 1 A 65 65 TYR N N 65 121.400 118.598 2.802 1
1 698 . 19 1 1 A 66 66 GLN H H 66 7.981 8.163 -0.182 1
1 699 . 19 1 1 A 66 66 GLN HA H 66 4.036 4.048 -0.012 1
1 706 . 19 1 1 A 66 66 GLN C C 66 179.045 178.598 0.447 1
1 707 . 19 1 1 A 66 66 GLN CA C 66 59.255 59.103 0.152 1
1 708 . 19 1 1 A 66 66 GLN CB C 66 28.207 28.540 -0.333 1
1 710 . 19 1 1 A 66 66 GLN N N 66 116.821 119.364 -2.543 1
1 712 . 19 1 1 A 67 67 ASN H H 67 7.862 7.921 -0.059 1
1 713 . 19 1 1 A 67 67 ASN HA H 67 4.367 4.453 -0.086 1
1 718 . 19 1 1 A 67 67 ASN C C 67 177.759 177.929 -0.170 1
1 719 . 19 1 1 A 67 67 ASN CA C 67 55.852 56.048 -0.196 1
1 720 . 19 1 1 A 67 67 ASN CB C 67 38.119 38.084 0.035 1
1 721 . 19 1 1 A 67 67 ASN N N 67 118.257 118.152 0.105 1
1 723 . 19 1 1 A 68 68 ARG H H 68 8.533 8.144 0.389 1
1 724 . 19 1 1 A 68 68 ARG HA H 68 3.430 3.468 -0.038 1
1 732 . 19 1 1 A 68 68 ARG C C 68 179.992 178.914 1.078 1
1 733 . 19 1 1 A 68 68 ARG CA C 68 56.391 59.538 -3.147 1
1 734 . 19 1 1 A 68 68 ARG CB C 68 27.959 28.886 -0.927 1
1 737 . 19 1 1 A 68 68 ARG N N 68 123.922 118.926 4.996 1
1 739 . 19 1 1 A 69 69 ARG H H 69 8.226 8.451 -0.225 1
1 740 . 19 1 1 A 69 69 ARG HA H 69 4.357 4.254 0.103 1
1 747 . 19 1 1 A 69 69 ARG C C 69 178.535 178.957 -0.422 1
1 748 . 19 1 1 A 69 69 ARG CA C 69 60.681 59.512 1.169 1
1 749 . 19 1 1 A 69 69 ARG CB C 69 31.938 30.093 1.845 1
1 752 . 19 1 1 A 69 69 ARG N N 69 118.839 119.349 -0.510 1
1 753 . 19 1 1 A 70 70 MET H H 70 7.480 7.993 -0.513 1
1 754 . 19 1 1 A 70 70 MET HA H 70 4.287 4.091 0.196 1
1 762 . 19 1 1 A 70 70 MET C C 70 178.098 178.971 -0.873 1
1 763 . 19 1 1 A 70 70 MET CA C 70 58.381 58.999 -0.618 1
1 764 . 19 1 1 A 70 70 MET CB C 70 32.011 32.286 -0.275 1
1 767 . 19 1 1 A 70 70 MET N N 70 118.164 119.336 -1.172 1
1 768 . 19 1 1 A 71 71 LYS H H 71 7.298 8.035 -0.737 1
1 769 . 19 1 1 A 71 71 LYS HA H 71 4.086 4.001 0.085 1
1 778 . 19 1 1 A 71 71 LYS C C 71 177.831 179.086 -1.255 1
1 779 . 19 1 1 A 71 71 LYS CA C 71 58.324 59.139 -0.815 1
1 780 . 19 1 1 A 71 71 LYS CB C 71 32.732 32.136 0.596 1
1 784 . 19 1 1 A 71 71 LYS N N 71 118.798 118.548 0.250 1
1 785 . 19 1 1 A 72 72 TRP H H 72 7.952 8.040 -0.088 1
1 786 . 19 1 1 A 72 72 TRP HA H 72 4.721 4.251 0.470 1
1 795 . 19 1 1 A 72 72 TRP C C 72 177.152 175.677 1.475 1
1 796 . 19 1 1 A 72 72 TRP CA C 72 58.506 60.830 -2.324 1
1 797 . 19 1 1 A 72 72 TRP CB C 72 29.602 29.854 -0.252 1
1 803 . 19 1 1 A 72 72 TRP N N 72 121.455 122.316 -0.861 1
1 805 . 19 1 1 A 73 73 LYS H H 73 8.241 8.136 0.105 1
1 806 . 19 1 1 A 73 73 LYS HA H 73 3.781 3.727 0.054 1
1 815 . 19 1 1 A 73 73 LYS C C 73 176.957 176.110 0.847 1
1 816 . 19 1 1 A 73 73 LYS CA C 73 57.074 55.529 1.545 1
1 817 . 19 1 1 A 73 73 LYS CB C 73 32.567 33.363 -0.796 1
1 821 . 19 1 1 A 73 73 LYS N N 73 120.065 115.453 4.612 1
1 822 . 19 1 1 A 74 74 LYS H H 74 7.705 8.824 -1.119 1
1 823 . 19 1 1 A 74 74 LYS HA H 74 4.154 3.819 0.335 1
1 830 . 19 1 1 A 74 74 LYS C C 74 176.836 174.960 1.876 1
1 831 . 19 1 1 A 74 74 LYS CA C 74 57.028 57.121 -0.093 1
1 832 . 19 1 1 A 74 74 LYS CB C 74 32.402 31.257 1.145 1
1 836 . 19 1 1 A 74 74 LYS N N 74 120.036 119.737 0.299 1
1 837 . 19 1 1 A 75 75 SER H H 75 7.986 7.293 0.693 1
1 838 . 19 1 1 A 75 75 SER HA H 75 4.470 4.996 -0.526 1
1 841 . 19 1 1 A 75 75 SER C C 75 174.530 173.492 1.038 1
1 842 . 19 1 1 A 75 75 SER CA C 75 58.786 57.283 1.503 1
1 843 . 19 1 1 A 75 75 SER CB C 75 63.975 65.326 -1.351 1
1 844 . 19 1 1 A 75 75 SER N N 75 115.488 113.490 1.998 1
1 845 . 19 1 1 A 76 76 GLY H H 76 8.040 8.330 -0.290 1
1 846 . 19 1 1 A 76 76 GLY HA2 H 76 4.076 4.086 -0.010 1
1 847 . 19 1 1 A 76 76 GLY HA3 H 76 4.099 4.097 0.002 1
1 848 . 19 1 1 A 76 76 GLY C C 76 171.835 174.067 -2.232 1
1 849 . 19 1 1 A 76 76 GLY CA C 76 44.789 46.091 -1.302 1
1 850 . 19 1 1 A 76 76 GLY N N 76 110.454 111.853 -1.399 1
1 851 . 19 1 1 A 77 77 PRO HA H 77 4.456 4.355 0.101 1
1 856 . 19 1 1 A 77 77 PRO CA C 77 63.323 64.144 -0.821 1
1 857 . 19 1 1 A 77 77 PRO CB C 77 32.209 31.880 0.329 1
1 860 . 19 1 1 A 79 79 SER HA H 79 4.506 4.768 -0.262 1
1 863 . 19 1 1 A 79 79 SER C C 79 173.947 174.280 -0.333 1
1 864 . 19 1 1 A 79 79 SER CA C 79 58.433 56.682 1.751 1
1 865 . 19 1 1 A 79 79 SER CB C 79 63.960 64.178 -0.218 1
1 1 . 20 1 1 A 7 7 GLY HA2 H 7 4.014 4.155 -0.141 1
1 2 . 20 1 1 A 7 7 GLY HA3 H 7 4.014 4.155 -0.141 1
1 3 . 20 1 1 A 7 7 GLY C C 7 174.578 171.757 2.821 1
1 4 . 20 1 1 A 7 7 GLY CA C 7 45.445 45.764 -0.319 1
1 5 . 20 1 1 A 8 8 GLY H H 8 8.219 8.375 -0.156 1
1 6 . 20 1 1 A 8 8 GLY HA2 H 8 3.959 4.186 -0.227 1
1 7 . 20 1 1 A 8 8 GLY HA3 H 8 3.959 4.186 -0.227 1
1 8 . 20 1 1 A 8 8 GLY C C 8 173.898 172.201 1.697 1
1 9 . 20 1 1 A 8 8 GLY CA C 8 44.923 45.471 -0.548 1
1 10 . 20 1 1 A 8 8 GLY N N 8 108.655 106.590 2.065 1
1 11 . 20 1 1 A 9 9 GLU H H 9 8.378 8.709 -0.331 1
1 12 . 20 1 1 A 9 9 GLU HA H 9 4.586 4.780 -0.194 1
1 16 . 20 1 1 A 9 9 GLU C C 9 175.015 173.944 1.071 1
1 17 . 20 1 1 A 9 9 GLU CA C 9 54.661 53.144 1.517 1
1 18 . 20 1 1 A 9 9 GLU CB C 9 29.534 31.566 -2.032 1
1 20 . 20 1 1 A 9 9 GLU N N 9 121.838 124.008 -2.170 1
1 21 . 20 1 1 A 10 10 PRO HA H 10 4.428 4.553 -0.125 1
1 28 . 20 1 1 A 10 10 PRO C C 10 177.856 176.239 1.617 1
1 29 . 20 1 1 A 10 10 PRO CA C 10 63.767 63.123 0.644 1
1 30 . 20 1 1 A 10 10 PRO CB C 10 32.080 33.159 -1.079 1
1 33 . 20 1 1 A 11 11 GLY H H 11 8.556 8.073 0.483 1
1 34 . 20 1 1 A 11 11 GLY HA2 H 11 3.997 4.149 -0.152 1
1 35 . 20 1 1 A 11 11 GLY HA3 H 11 3.997 4.149 -0.152 1
1 36 . 20 1 1 A 11 11 GLY C C 11 174.724 171.876 2.848 1
1 37 . 20 1 1 A 11 11 GLY CA C 11 45.529 45.681 -0.152 1
1 38 . 20 1 1 A 11 11 GLY N N 11 108.931 107.076 1.855 1
1 39 . 20 1 1 A 12 12 THR H H 12 7.973 8.779 -0.806 1
1 40 . 20 1 1 A 12 12 THR HA H 12 4.306 4.909 -0.603 1
1 45 . 20 1 1 A 12 12 THR C C 12 174.942 172.760 2.182 1
1 46 . 20 1 1 A 12 12 THR CA C 12 62.240 61.522 0.718 1
1 47 . 20 1 1 A 12 12 THR CB C 12 69.882 71.030 -1.148 1
1 49 . 20 1 1 A 12 12 THR N N 12 113.454 117.968 -4.514 1
1 50 . 20 1 1 A 13 13 LYS H H 13 8.313 8.875 -0.562 1
1 51 . 20 1 1 A 13 13 LYS HA H 13 4.281 5.097 -0.816 1
1 58 . 20 1 1 A 13 13 LYS C C 13 176.520 175.650 0.870 1
1 59 . 20 1 1 A 13 13 LYS CA C 13 56.565 54.765 1.800 1
1 60 . 20 1 1 A 13 13 LYS CB C 13 32.590 35.211 -2.621 1
1 64 . 20 1 1 A 13 13 LYS N N 13 123.479 128.453 -4.974 1
1 65 . 20 1 1 A 14 14 ALA H H 14 8.192 8.588 -0.396 1
1 66 . 20 1 1 A 14 14 ALA HA H 14 4.272 4.910 -0.638 1
1 70 . 20 1 1 A 14 14 ALA C C 14 177.807 175.673 2.134 1
1 71 . 20 1 1 A 14 14 ALA CA C 14 52.581 52.288 0.293 1
1 72 . 20 1 1 A 14 14 ALA CB C 14 19.258 20.795 -1.537 1
1 73 . 20 1 1 A 14 14 ALA N N 14 124.692 123.622 1.070 1
1 74 . 20 1 1 A 15 15 LYS H H 15 8.264 8.710 -0.446 1
1 75 . 20 1 1 A 15 15 LYS HA H 15 4.296 4.950 -0.654 1
1 81 . 20 1 1 A 15 15 LYS C C 15 176.812 176.449 0.363 1
1 82 . 20 1 1 A 15 15 LYS CA C 15 56.403 54.497 1.906 1
1 83 . 20 1 1 A 15 15 LYS CB C 15 32.979 35.318 -2.339 1
1 87 . 20 1 1 A 15 15 LYS N N 15 120.979 121.855 -0.876 1
1 88 . 20 1 1 A 16 16 LYS H H 16 8.330 8.931 -0.601 1
1 89 . 20 1 1 A 16 16 LYS HA H 16 4.289 4.338 -0.049 1
1 93 . 20 1 1 A 16 16 LYS C C 16 177.103 177.467 -0.364 1
1 94 . 20 1 1 A 16 16 LYS CB C 16 33.072 32.898 0.174 1
1 98 . 20 1 1 A 16 16 LYS N N 16 122.581 120.014 2.567 1
1 99 . 20 1 1 A 22 22 THR HA H 22 4.294 4.897 -0.603 1
1 104 . 20 1 1 A 22 22 THR C C 22 174.020 174.537 -0.517 1
1 105 . 20 1 1 A 22 22 THR CA C 22 61.928 59.492 2.436 1
1 106 . 20 1 1 A 22 22 THR CB C 22 69.730 71.795 -2.065 1
1 108 . 20 1 1 A 23 23 VAL H H 23 8.087 8.366 -0.279 1
1 109 . 20 1 1 A 23 23 VAL HA H 23 4.112 4.287 -0.175 1
1 117 . 20 1 1 A 23 23 VAL C C 23 175.646 175.775 -0.129 1
1 118 . 20 1 1 A 23 23 VAL CA C 23 62.011 61.709 0.302 1
1 119 . 20 1 1 A 23 23 VAL CB C 23 33.060 31.631 1.429 1
1 122 . 20 1 1 A 23 23 VAL N N 23 123.252 116.525 6.727 1
1 123 . 20 1 1 A 24 24 PHE H H 24 8.220 8.015 0.205 1
1 124 . 20 1 1 A 24 24 PHE HA H 24 4.976 4.790 0.186 1
1 132 . 20 1 1 A 24 24 PHE C C 24 176.739 175.737 1.002 1
1 133 . 20 1 1 A 24 24 PHE CA C 24 56.389 57.679 -1.290 1
1 134 . 20 1 1 A 24 24 PHE CB C 24 40.492 40.384 0.108 1
1 140 . 20 1 1 A 24 24 PHE N N 24 123.332 123.462 -0.130 1
1 141 . 20 1 1 A 25 25 THR H H 25 9.003 8.790 0.213 1
1 142 . 20 1 1 A 25 25 THR HA H 25 4.470 4.786 -0.316 1
1 147 . 20 1 1 A 25 25 THR C C 25 175.209 176.143 -0.934 1
1 148 . 20 1 1 A 25 25 THR CA C 25 60.598 60.663 -0.065 1
1 149 . 20 1 1 A 25 25 THR CB C 25 70.801 70.650 0.151 1
1 151 . 20 1 1 A 25 25 THR N N 25 113.078 115.188 -2.110 1
1 152 . 20 1 1 A 26 26 GLU H H 26 8.991 9.043 -0.052 1
1 153 . 20 1 1 A 26 26 GLU HA H 26 4.036 3.972 0.064 1
1 158 . 20 1 1 A 26 26 GLU C C 26 179.118 178.807 0.311 1
1 159 . 20 1 1 A 26 26 GLU CA C 26 60.222 59.520 0.702 1
1 160 . 20 1 1 A 26 26 GLU CB C 26 29.271 29.220 0.051 1
1 162 . 20 1 1 A 26 26 GLU N N 26 120.978 122.565 -1.587 1
1 163 . 20 1 1 A 27 27 LEU H H 27 8.120 7.958 0.162 1
1 164 . 20 1 1 A 27 27 LEU HA H 27 4.117 4.060 0.057 1
1 174 . 20 1 1 A 27 27 LEU C C 27 180.623 178.910 1.713 1
1 175 . 20 1 1 A 27 27 LEU CA C 27 58.187 57.964 0.223 1
1 176 . 20 1 1 A 27 27 LEU CB C 27 42.220 41.807 0.413 1
1 180 . 20 1 1 A 27 27 LEU N N 27 118.897 121.360 -2.463 1
1 181 . 20 1 1 A 28 28 GLN H H 28 7.733 7.919 -0.186 1
1 182 . 20 1 1 A 28 28 GLN HA H 28 3.864 4.089 -0.225 1
1 189 . 20 1 1 A 28 28 GLN C C 28 177.492 178.813 -1.321 1
1 190 . 20 1 1 A 28 28 GLN CA C 28 59.212 58.589 0.623 1
1 191 . 20 1 1 A 28 28 GLN CB C 28 27.740 28.312 -0.572 1
1 193 . 20 1 1 A 28 28 GLN N N 28 119.947 117.983 1.964 1
1 195 . 20 1 1 A 29 29 LEU H H 29 8.336 8.432 -0.096 1
1 196 . 20 1 1 A 29 29 LEU HA H 29 3.665 3.731 -0.066 1
1 206 . 20 1 1 A 29 29 LEU C C 29 179.118 178.790 0.328 1
1 207 . 20 1 1 A 29 29 LEU CA C 29 58.068 57.793 0.275 1
1 208 . 20 1 1 A 29 29 LEU CB C 29 41.582 41.501 0.081 1
1 212 . 20 1 1 A 29 29 LEU N N 29 118.154 119.731 -1.577 1
1 213 . 20 1 1 A 30 30 MET H H 30 8.282 8.081 0.201 1
1 214 . 20 1 1 A 30 30 MET HA H 30 4.118 4.023 0.095 1
1 222 . 20 1 1 A 30 30 MET C C 30 179.070 178.847 0.223 1
1 223 . 20 1 1 A 30 30 MET CA C 30 58.583 58.677 -0.094 1
1 224 . 20 1 1 A 30 30 MET CB C 30 32.665 32.234 0.431 1
1 227 . 20 1 1 A 30 30 MET N N 30 117.314 118.643 -1.329 1
1 228 . 20 1 1 A 31 31 GLY H H 31 7.904 7.889 0.015 1
1 229 . 20 1 1 A 31 31 GLY HA2 H 31 3.787 3.559 0.228 1
1 230 . 20 1 1 A 31 31 GLY HA3 H 31 3.631 3.575 0.056 1
1 231 . 20 1 1 A 31 31 GLY C C 31 176.618 175.752 0.866 1
1 232 . 20 1 1 A 31 31 GLY CA C 31 47.231 47.207 0.024 1
1 233 . 20 1 1 A 31 31 GLY N N 31 107.053 107.442 -0.389 1
1 234 . 20 1 1 A 32 32 LEU H H 32 7.982 8.138 -0.156 1
1 235 . 20 1 1 A 32 32 LEU HA H 32 3.577 3.768 -0.191 1
1 245 . 20 1 1 A 32 32 LEU C C 32 177.564 178.984 -1.420 1
1 246 . 20 1 1 A 32 32 LEU CA C 32 58.318 57.496 0.822 1
1 247 . 20 1 1 A 32 32 LEU CB C 32 38.280 40.732 -2.452 1
1 251 . 20 1 1 A 32 32 LEU N N 32 125.323 122.235 3.088 1
1 252 . 20 1 1 A 33 33 GLU H H 33 8.054 8.092 -0.038 1
1 253 . 20 1 1 A 33 33 GLU HA H 33 4.283 3.987 0.296 1
1 258 . 20 1 1 A 33 33 GLU C C 33 180.041 179.279 0.762 1
1 259 . 20 1 1 A 33 33 GLU CA C 33 59.157 59.609 -0.452 1
1 260 . 20 1 1 A 33 33 GLU CB C 33 29.155 29.300 -0.145 1
1 262 . 20 1 1 A 33 33 GLU N N 33 118.448 117.256 1.192 1
1 263 . 20 1 1 A 34 34 LYS H H 34 8.229 7.823 0.406 1
1 264 . 20 1 1 A 34 34 LYS HA H 34 4.099 4.008 0.091 1
1 271 . 20 1 1 A 34 34 LYS C C 34 179.822 178.923 0.899 1
1 272 . 20 1 1 A 34 34 LYS CA C 34 58.789 59.606 -0.817 1
1 273 . 20 1 1 A 34 34 LYS CB C 34 32.073 32.629 -0.556 1
1 277 . 20 1 1 A 34 34 LYS N N 34 118.230 121.087 -2.857 1
1 278 . 20 1 1 A 35 35 ARG H H 35 7.560 8.057 -0.497 1
1 279 . 20 1 1 A 35 35 ARG HA H 35 4.190 4.061 0.129 1
1 286 . 20 1 1 A 35 35 ARG C C 35 178.001 178.666 -0.665 1
1 287 . 20 1 1 A 35 35 ARG CA C 35 57.095 59.791 -2.696 1
1 288 . 20 1 1 A 35 35 ARG CB C 35 28.882 30.209 -1.327 1
1 291 . 20 1 1 A 35 35 ARG N N 35 120.162 118.498 1.664 1
1 292 . 20 1 1 A 36 36 PHE H H 36 8.810 8.231 0.579 1
1 293 . 20 1 1 A 36 36 PHE HA H 36 4.227 4.275 -0.048 1
1 301 . 20 1 1 A 36 36 PHE C C 36 176.520 177.107 -0.587 1
1 302 . 20 1 1 A 36 36 PHE CA C 36 60.886 61.784 -0.898 1
1 303 . 20 1 1 A 36 36 PHE CB C 36 39.333 39.288 0.045 1
1 309 . 20 1 1 A 36 36 PHE N N 36 122.860 120.266 2.594 1
1 310 . 20 1 1 A 37 37 GLU H H 37 7.772 8.934 -1.162 1
1 311 . 20 1 1 A 37 37 GLU HA H 37 3.701 4.185 -0.484 1
1 316 . 20 1 1 A 37 37 GLU C C 37 177.297 178.396 -1.099 1
1 317 . 20 1 1 A 37 37 GLU CA C 37 59.036 59.139 -0.103 1
1 318 . 20 1 1 A 37 37 GLU CB C 37 29.981 28.981 1.000 1
1 320 . 20 1 1 A 37 37 GLU N N 37 116.313 118.154 -1.841 1
1 321 . 20 1 1 A 38 38 LYS H H 38 7.005 7.347 -0.342 1
1 322 . 20 1 1 A 38 38 LYS HA H 38 4.280 4.237 0.043 1
1 329 . 20 1 1 A 38 38 LYS C C 38 177.079 176.611 0.468 1
1 330 . 20 1 1 A 38 38 LYS CA C 38 56.741 57.805 -1.064 1
1 331 . 20 1 1 A 38 38 LYS CB C 38 34.301 33.456 0.845 1
1 335 . 20 1 1 A 38 38 LYS N N 38 114.632 117.419 -2.787 1
1 336 . 20 1 1 A 39 39 GLN H H 39 8.641 7.778 0.863 1
1 337 . 20 1 1 A 39 39 GLN HA H 39 4.509 4.665 -0.156 1
1 344 . 20 1 1 A 39 39 GLN C C 39 173.340 175.909 -2.569 1
1 345 . 20 1 1 A 39 39 GLN CA C 39 55.527 54.199 1.328 1
1 346 . 20 1 1 A 39 39 GLN CB C 39 31.827 31.378 0.449 1
1 348 . 20 1 1 A 39 39 GLN N N 39 120.830 114.896 5.934 1
1 350 . 20 1 1 A 40 40 LYS H H 40 8.474 8.465 0.009 1
1 351 . 20 1 1 A 40 40 LYS HA H 40 3.598 3.092 0.506 1
1 360 . 20 1 1 A 40 40 LYS C C 40 174.530 175.517 -0.987 1
1 361 . 20 1 1 A 40 40 LYS CA C 40 56.459 57.851 -1.392 1
1 362 . 20 1 1 A 40 40 LYS CB C 40 32.276 32.285 -0.009 1
1 366 . 20 1 1 A 40 40 LYS N N 40 125.122 122.493 2.629 1
1 367 . 20 1 1 A 41 41 TYR H H 41 7.513 7.515 -0.002 1
1 368 . 20 1 1 A 41 41 TYR HA H 41 4.537 5.203 -0.666 1
1 375 . 20 1 1 A 41 41 TYR C C 41 174.700 174.325 0.375 1
1 376 . 20 1 1 A 41 41 TYR CA C 41 56.743 56.444 0.299 1
1 377 . 20 1 1 A 41 41 TYR CB C 41 41.274 43.337 -2.063 1
1 382 . 20 1 1 A 41 41 TYR N N 41 113.703 117.242 -3.539 1
1 383 . 20 1 1 A 42 42 LEU H H 42 8.544 8.809 -0.265 1
1 384 . 20 1 1 A 42 42 LEU HA H 42 4.610 4.822 -0.212 1
1 394 . 20 1 1 A 42 42 LEU C C 42 177.273 176.485 0.788 1
1 395 . 20 1 1 A 42 42 LEU CA C 42 53.408 53.538 -0.130 1
1 396 . 20 1 1 A 42 42 LEU CB C 42 44.040 45.840 -1.800 1
1 400 . 20 1 1 A 42 42 LEU N N 42 123.003 120.986 2.017 1
1 401 . 20 1 1 A 43 43 SER H H 43 8.651 8.533 0.118 1
1 402 . 20 1 1 A 43 43 SER HA H 43 4.621 4.517 0.104 1
1 405 . 20 1 1 A 43 43 SER C C 43 174.530 175.781 -1.251 1
1 406 . 20 1 1 A 43 43 SER CA C 43 57.053 58.861 -1.808 1
1 407 . 20 1 1 A 43 43 SER CB C 43 64.786 64.519 0.267 1
1 408 . 20 1 1 A 43 43 SER N N 43 118.850 118.287 0.563 1
1 409 . 20 1 1 A 44 44 THR H H 44 9.159 8.772 0.387 1
1 410 . 20 1 1 A 44 44 THR HA H 44 4.428 3.996 0.432 1
1 415 . 20 1 1 A 44 44 THR C C 44 175.428 173.721 1.707 1
1 416 . 20 1 1 A 44 44 THR CA C 44 66.563 67.462 -0.899 1
1 417 . 20 1 1 A 44 44 THR CB C 44 69.210 67.326 1.884 1
1 419 . 20 1 1 A 44 44 THR N N 44 117.903 116.826 1.077 1
1 420 . 20 1 1 A 45 45 PRO HA H 45 4.188 4.350 -0.162 1
1 427 . 20 1 1 A 45 45 PRO C C 45 179.312 178.381 0.931 1
1 428 . 20 1 1 A 45 45 PRO CA C 45 66.163 64.927 1.236 1
1 429 . 20 1 1 A 45 45 PRO CB C 45 30.975 31.248 -0.273 1
1 432 . 20 1 1 A 46 46 ASP H H 46 7.289 8.166 -0.877 1
1 433 . 20 1 1 A 46 46 ASP HA H 46 4.387 4.391 -0.004 1
1 436 . 20 1 1 A 46 46 ASP C C 46 178.390 178.272 0.118 1
1 437 . 20 1 1 A 46 46 ASP CA C 46 56.974 57.186 -0.212 1
1 438 . 20 1 1 A 46 46 ASP CB C 46 41.498 40.822 0.676 1
1 439 . 20 1 1 A 46 46 ASP N N 46 117.060 118.212 -1.152 1
1 440 . 20 1 1 A 47 47 ARG H H 47 8.493 7.475 1.018 1
1 441 . 20 1 1 A 47 47 ARG HA H 47 3.754 3.991 -0.237 1
1 448 . 20 1 1 A 47 47 ARG C C 47 177.880 178.762 -0.882 1
1 449 . 20 1 1 A 47 47 ARG CA C 47 60.123 58.786 1.337 1
1 450 . 20 1 1 A 47 47 ARG CB C 47 30.355 30.049 0.306 1
1 453 . 20 1 1 A 47 47 ARG N N 47 122.143 118.884 3.259 1
1 454 . 20 1 1 A 48 48 ILE H H 48 8.219 7.998 0.221 1
1 455 . 20 1 1 A 48 48 ILE HA H 48 3.475 3.614 -0.139 1
1 465 . 20 1 1 A 48 48 ILE C C 48 178.026 177.685 0.341 1
1 466 . 20 1 1 A 48 48 ILE CA C 48 66.105 65.493 0.612 1
1 467 . 20 1 1 A 48 48 ILE CB C 48 38.440 38.108 0.332 1
1 471 . 20 1 1 A 48 48 ILE N N 48 119.888 120.135 -0.247 1
1 472 . 20 1 1 A 49 49 ASP H H 49 7.775 8.271 -0.496 1
1 473 . 20 1 1 A 49 49 ASP HA H 49 4.406 4.290 0.116 1
1 476 . 20 1 1 A 49 49 ASP C C 49 178.900 178.103 0.797 1
1 477 . 20 1 1 A 49 49 ASP CA C 49 57.380 57.479 -0.099 1
1 478 . 20 1 1 A 49 49 ASP CB C 49 41.523 41.611 -0.088 1
1 479 . 20 1 1 A 49 49 ASP N N 49 119.245 120.359 -1.114 1
1 480 . 20 1 1 A 50 50 LEU H H 50 8.344 8.133 0.211 1
1 481 . 20 1 1 A 50 50 LEU HA H 50 4.090 3.999 0.091 1
1 491 . 20 1 1 A 50 50 LEU C C 50 178.705 178.318 0.387 1
1 492 . 20 1 1 A 50 50 LEU CA C 50 57.651 58.158 -0.507 1
1 493 . 20 1 1 A 50 50 LEU CB C 50 42.526 41.927 0.599 1
1 497 . 20 1 1 A 50 50 LEU N N 50 121.649 120.462 1.187 1
1 498 . 20 1 1 A 51 51 ALA H H 51 8.513 8.377 0.136 1
1 499 . 20 1 1 A 51 51 ALA HA H 51 3.611 3.986 -0.375 1
1 503 . 20 1 1 A 51 51 ALA C C 51 179.749 179.827 -0.078 1
1 504 . 20 1 1 A 51 51 ALA CA C 51 56.139 55.197 0.942 1
1 505 . 20 1 1 A 51 51 ALA CB C 51 17.519 18.262 -0.743 1
1 506 . 20 1 1 A 51 51 ALA N N 51 120.902 120.254 0.648 1
1 507 . 20 1 1 A 52 52 GLU H H 52 8.285 7.854 0.431 1
1 508 . 20 1 1 A 52 52 GLU HA H 52 4.097 4.060 0.037 1
1 513 . 20 1 1 A 52 52 GLU C C 52 180.114 179.306 0.808 1
1 514 . 20 1 1 A 52 52 GLU CA C 52 59.307 59.211 0.096 1
1 515 . 20 1 1 A 52 52 GLU CB C 52 29.408 29.775 -0.367 1
1 517 . 20 1 1 A 52 52 GLU N N 52 116.933 118.519 -1.586 1
1 518 . 20 1 1 A 53 53 SER H H 53 8.229 8.259 -0.030 1
1 519 . 20 1 1 A 53 53 SER HA H 53 4.251 4.090 0.161 1
1 522 . 20 1 1 A 53 53 SER C C 53 176.059 175.972 0.087 1
1 523 . 20 1 1 A 53 53 SER CA C 53 61.347 62.355 -1.008 1
1 524 . 20 1 1 A 53 53 SER CB C 53 63.235 63.128 0.107 1
1 525 . 20 1 1 A 53 53 SER N N 53 114.615 117.031 -2.416 1
1 526 . 20 1 1 A 54 54 LEU H H 54 7.675 7.617 0.058 1
1 527 . 20 1 1 A 54 54 LEU HA H 54 4.513 4.261 0.252 1
1 537 . 20 1 1 A 54 54 LEU C C 54 177.516 176.947 0.569 1
1 538 . 20 1 1 A 54 54 LEU CA C 54 54.422 55.295 -0.873 1
1 539 . 20 1 1 A 54 54 LEU CB C 54 43.880 42.736 1.144 1
1 543 . 20 1 1 A 54 54 LEU N N 54 117.401 117.730 -0.329 1
1 544 . 20 1 1 A 55 55 GLY H H 55 7.941 7.781 0.160 1
1 545 . 20 1 1 A 55 55 GLY HA2 H 55 3.982 3.937 0.045 1
1 546 . 20 1 1 A 55 55 GLY HA3 H 55 4.026 3.939 0.087 1
1 547 . 20 1 1 A 55 55 GLY C C 55 174.360 174.520 -0.160 1
1 548 . 20 1 1 A 55 55 GLY CA C 55 46.728 45.313 1.415 1
1 549 . 20 1 1 A 55 55 GLY N N 55 111.061 106.068 4.993 1
1 550 . 20 1 1 A 56 56 LEU H H 56 8.190 8.082 0.108 1
1 551 . 20 1 1 A 56 56 LEU HA H 56 4.803 4.685 0.118 1
1 561 . 20 1 1 A 56 56 LEU C C 56 175.914 176.057 -0.143 1
1 562 . 20 1 1 A 56 56 LEU CA C 56 52.510 53.906 -1.396 1
1 563 . 20 1 1 A 56 56 LEU CB C 56 47.484 42.470 5.014 1
1 567 . 20 1 1 A 56 56 LEU N N 56 119.967 122.475 -2.508 1
1 568 . 20 1 1 A 57 57 SER H H 57 9.037 8.996 0.041 1
1 569 . 20 1 1 A 57 57 SER HA H 57 4.423 4.872 -0.449 1
1 572 . 20 1 1 A 57 57 SER C C 57 176.618 175.173 1.445 1
1 573 . 20 1 1 A 57 57 SER CA C 57 56.189 57.627 -1.438 1
1 574 . 20 1 1 A 57 57 SER CB C 57 65.579 65.050 0.529 1
1 575 . 20 1 1 A 57 57 SER N N 57 115.098 117.327 -2.229 1
1 576 . 20 1 1 A 58 58 GLN HA H 58 3.741 3.965 -0.224 1
1 583 . 20 1 1 A 58 58 GLN C C 58 177.904 178.178 -0.274 1
1 584 . 20 1 1 A 58 58 GLN CA C 58 60.504 59.274 1.230 1
1 585 . 20 1 1 A 58 58 GLN CB C 58 28.365 28.403 -0.038 1
1 588 . 20 1 1 A 59 59 LEU H H 59 8.207 8.251 -0.044 1
1 589 . 20 1 1 A 59 59 LEU HA H 59 4.192 4.075 0.117 1
1 599 . 20 1 1 A 59 59 LEU C C 59 179.871 178.685 1.186 1
1 600 . 20 1 1 A 59 59 LEU CA C 59 57.878 58.514 -0.636 1
1 601 . 20 1 1 A 59 59 LEU CB C 59 41.747 41.516 0.231 1
1 605 . 20 1 1 A 59 59 LEU N N 59 120.246 121.964 -1.718 1
1 606 . 20 1 1 A 60 60 GLN H H 60 8.125 8.455 -0.330 1
1 607 . 20 1 1 A 60 60 GLN HA H 60 4.214 4.272 -0.058 1
1 614 . 20 1 1 A 60 60 GLN C C 60 179.434 178.935 0.499 1
1 615 . 20 1 1 A 60 60 GLN CA C 60 59.530 58.936 0.594 1
1 616 . 20 1 1 A 60 60 GLN CB C 60 29.651 28.787 0.864 1
1 618 . 20 1 1 A 60 60 GLN N N 60 120.637 117.932 2.705 1
1 620 . 20 1 1 A 61 61 VAL H H 61 7.717 8.171 -0.454 1
1 621 . 20 1 1 A 61 61 VAL HA H 61 3.673 3.739 -0.066 1
1 629 . 20 1 1 A 61 61 VAL C C 61 176.982 177.956 -0.974 1
1 630 . 20 1 1 A 61 61 VAL CA C 61 67.670 67.101 0.569 1
1 631 . 20 1 1 A 61 61 VAL CB C 61 31.899 31.503 0.396 1
1 634 . 20 1 1 A 61 61 VAL N N 61 118.389 120.154 -1.765 1
1 635 . 20 1 1 A 62 62 LYS H H 62 8.578 8.258 0.320 1
1 636 . 20 1 1 A 62 62 LYS HA H 62 4.423 4.095 0.328 1
1 644 . 20 1 1 A 62 62 LYS C C 62 179.749 179.024 0.725 1
1 645 . 20 1 1 A 62 62 LYS CA C 62 59.821 59.821 0.000 1
1 646 . 20 1 1 A 62 62 LYS CB C 62 33.793 32.503 1.290 1
1 650 . 20 1 1 A 62 62 LYS N N 62 120.540 120.544 -0.004 1
1 651 . 20 1 1 A 63 63 THR H H 63 8.722 8.575 0.147 1
1 652 . 20 1 1 A 63 63 THR HA H 63 4.007 4.010 -0.003 1
1 657 . 20 1 1 A 63 63 THR C C 63 176.059 176.680 -0.621 1
1 658 . 20 1 1 A 63 63 THR CA C 63 66.527 67.015 -0.488 1
1 659 . 20 1 1 A 63 63 THR CB C 63 69.236 68.641 0.595 1
1 661 . 20 1 1 A 63 63 THR N N 63 115.962 114.521 1.441 1
1 662 . 20 1 1 A 64 64 TRP H H 64 8.506 8.756 -0.250 1
1 663 . 20 1 1 A 64 64 TRP HA H 64 4.064 4.193 -0.129 1
1 672 . 20 1 1 A 64 64 TRP C C 64 179.264 177.974 1.290 1
1 673 . 20 1 1 A 64 64 TRP CA C 64 63.070 61.126 1.944 1
1 674 . 20 1 1 A 64 64 TRP CB C 64 29.048 29.652 -0.604 1
1 680 . 20 1 1 A 64 64 TRP N N 64 123.609 121.318 2.291 1
1 682 . 20 1 1 A 65 65 TYR H H 65 9.152 8.869 0.283 1
1 683 . 20 1 1 A 65 65 TYR HA H 65 3.660 4.571 -0.911 1
1 690 . 20 1 1 A 65 65 TYR C C 65 178.535 178.605 -0.070 1
1 691 . 20 1 1 A 65 65 TYR CA C 65 63.749 61.893 1.856 1
1 692 . 20 1 1 A 65 65 TYR CB C 65 39.082 38.417 0.665 1
1 697 . 20 1 1 A 65 65 TYR N N 65 121.400 118.919 2.481 1
1 698 . 20 1 1 A 66 66 GLN H H 66 7.981 8.416 -0.435 1
1 699 . 20 1 1 A 66 66 GLN HA H 66 4.036 3.948 0.088 1
1 706 . 20 1 1 A 66 66 GLN C C 66 179.045 179.041 0.004 1
1 707 . 20 1 1 A 66 66 GLN CA C 66 59.255 59.292 -0.037 1
1 708 . 20 1 1 A 66 66 GLN CB C 66 28.207 28.091 0.116 1
1 710 . 20 1 1 A 66 66 GLN N N 66 116.821 118.888 -2.067 1
1 712 . 20 1 1 A 67 67 ASN H H 67 7.862 8.685 -0.823 1
1 713 . 20 1 1 A 67 67 ASN HA H 67 4.367 4.496 -0.129 1
1 718 . 20 1 1 A 67 67 ASN C C 67 177.759 177.729 0.030 1
1 719 . 20 1 1 A 67 67 ASN CA C 67 55.852 55.663 0.189 1
1 720 . 20 1 1 A 67 67 ASN CB C 67 38.119 37.970 0.149 1
1 721 . 20 1 1 A 67 67 ASN N N 67 118.257 117.594 0.663 1
1 723 . 20 1 1 A 68 68 ARG H H 68 8.533 8.063 0.470 1
1 724 . 20 1 1 A 68 68 ARG HA H 68 3.430 3.807 -0.377 1
1 732 . 20 1 1 A 68 68 ARG C C 68 179.992 178.851 1.141 1
1 733 . 20 1 1 A 68 68 ARG CA C 68 56.391 58.876 -2.485 1
1 734 . 20 1 1 A 68 68 ARG CB C 68 27.959 29.740 -1.781 1
1 737 . 20 1 1 A 68 68 ARG N N 68 123.922 120.151 3.771 1
1 739 . 20 1 1 A 69 69 ARG H H 69 8.226 8.547 -0.321 1
1 740 . 20 1 1 A 69 69 ARG HA H 69 4.357 4.268 0.089 1
1 747 . 20 1 1 A 69 69 ARG C C 69 178.535 178.653 -0.118 1
1 748 . 20 1 1 A 69 69 ARG CA C 69 60.681 59.341 1.340 1
1 749 . 20 1 1 A 69 69 ARG CB C 69 31.938 30.226 1.712 1
1 752 . 20 1 1 A 69 69 ARG N N 69 118.839 119.658 -0.819 1
1 753 . 20 1 1 A 70 70 MET H H 70 7.480 8.244 -0.764 1
1 754 . 20 1 1 A 70 70 MET HA H 70 4.287 4.278 0.009 1
1 762 . 20 1 1 A 70 70 MET C C 70 178.098 178.420 -0.322 1
1 763 . 20 1 1 A 70 70 MET CA C 70 58.381 58.662 -0.281 1
1 764 . 20 1 1 A 70 70 MET CB C 70 32.011 32.561 -0.550 1
1 767 . 20 1 1 A 70 70 MET N N 70 118.164 118.130 0.034 1
1 768 . 20 1 1 A 71 71 LYS H H 71 7.298 7.597 -0.299 1
1 769 . 20 1 1 A 71 71 LYS HA H 71 4.086 4.038 0.048 1
1 778 . 20 1 1 A 71 71 LYS C C 71 177.831 179.137 -1.306 1
1 779 . 20 1 1 A 71 71 LYS CA C 71 58.324 58.852 -0.528 1
1 780 . 20 1 1 A 71 71 LYS CB C 71 32.732 31.924 0.808 1
1 784 . 20 1 1 A 71 71 LYS N N 71 118.798 120.313 -1.515 1
1 785 . 20 1 1 A 72 72 TRP H H 72 7.952 8.438 -0.486 1
1 786 . 20 1 1 A 72 72 TRP HA H 72 4.721 4.287 0.434 1
1 795 . 20 1 1 A 72 72 TRP C C 72 177.152 178.026 -0.874 1
1 796 . 20 1 1 A 72 72 TRP CA C 72 58.506 60.908 -2.402 1
1 797 . 20 1 1 A 72 72 TRP CB C 72 29.602 29.595 0.007 1
1 803 . 20 1 1 A 72 72 TRP N N 72 121.455 121.867 -0.412 1
1 805 . 20 1 1 A 73 73 LYS H H 73 8.241 8.842 -0.601 1
1 806 . 20 1 1 A 73 73 LYS HA H 73 3.781 3.196 0.585 1
1 815 . 20 1 1 A 73 73 LYS C C 73 176.957 176.285 0.672 1
1 816 . 20 1 1 A 73 73 LYS CA C 73 57.074 58.322 -1.248 1
1 817 . 20 1 1 A 73 73 LYS CB C 73 32.567 32.024 0.543 1
1 821 . 20 1 1 A 73 73 LYS N N 73 120.065 117.438 2.627 1
1 822 . 20 1 1 A 74 74 LYS H H 74 7.705 7.071 0.634 1
1 823 . 20 1 1 A 74 74 LYS HA H 74 4.154 4.422 -0.268 1
1 830 . 20 1 1 A 74 74 LYS C C 74 176.836 174.949 1.887 1
1 831 . 20 1 1 A 74 74 LYS CA C 74 57.028 54.934 2.094 1
1 832 . 20 1 1 A 74 74 LYS CB C 74 32.402 32.648 -0.246 1
1 836 . 20 1 1 A 74 74 LYS N N 74 120.036 120.817 -0.781 1
1 837 . 20 1 1 A 75 75 SER H H 75 7.986 8.795 -0.809 1
1 838 . 20 1 1 A 75 75 SER HA H 75 4.470 4.879 -0.409 1
1 841 . 20 1 1 A 75 75 SER C C 75 174.530 174.436 0.094 1
1 842 . 20 1 1 A 75 75 SER CA C 75 58.786 56.928 1.858 1
1 843 . 20 1 1 A 75 75 SER CB C 75 63.975 63.829 0.146 1
1 844 . 20 1 1 A 75 75 SER N N 75 115.488 122.469 -6.981 1
1 845 . 20 1 1 A 76 76 GLY H H 76 8.040 8.712 -0.672 1
1 846 . 20 1 1 A 76 76 GLY HA2 H 76 4.076 4.033 0.043 1
1 847 . 20 1 1 A 76 76 GLY HA3 H 76 4.099 4.038 0.061 1
1 848 . 20 1 1 A 76 76 GLY C C 76 171.835 174.012 -2.177 1
1 849 . 20 1 1 A 76 76 GLY CA C 76 44.789 44.357 0.432 1
1 850 . 20 1 1 A 76 76 GLY N N 76 110.454 115.177 -4.723 1
1 851 . 20 1 1 A 77 77 PRO HA H 77 4.456 4.408 0.048 1
1 856 . 20 1 1 A 77 77 PRO CA C 77 63.323 64.510 -1.187 1
1 857 . 20 1 1 A 77 77 PRO CB C 77 32.209 31.989 0.220 1
1 860 . 20 1 1 A 79 79 SER HA H 79 4.506 5.219 -0.713 1
1 863 . 20 1 1 A 79 79 SER C C 79 173.947 173.635 0.312 1
1 864 . 20 1 1 A 79 79 SER CA C 79 58.433 56.595 1.838 1
1 865 . 20 1 1 A 79 79 SER CB C 79 63.960 66.283 -2.323 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 66 1.222 1
2 1 1 1 "RMS(OBS, PRED)" CA 66 1.260 1
3 1 1 1 "RMS(OBS, PRED)" CB 61 1.479 1
4 1 1 1 "RMS(OBS, PRED)" H 60 0.530 1
5 1 1 1 "RMS(OBS, PRED)" HA 73 0.363 1
6 1 1 1 "RMS(OBS, PRED)" N 60 2.484 1
7 1 2 1 "RMS(OBS, PRED)" C 66 1.061 1
8 1 2 1 "RMS(OBS, PRED)" CA 66 1.168 1
9 1 2 1 "RMS(OBS, PRED)" CB 61 1.380 1
10 1 2 1 "RMS(OBS, PRED)" H 60 0.415 1
11 1 2 1 "RMS(OBS, PRED)" HA 73 0.249 1
12 1 2 1 "RMS(OBS, PRED)" N 60 2.208 1
13 1 3 1 "RMS(OBS, PRED)" C 66 1.264 1
14 1 3 1 "RMS(OBS, PRED)" CA 66 1.146 1
15 1 3 1 "RMS(OBS, PRED)" CB 61 1.323 1
16 1 3 1 "RMS(OBS, PRED)" H 60 0.453 1
17 1 3 1 "RMS(OBS, PRED)" HA 73 0.316 1
18 1 3 1 "RMS(OBS, PRED)" N 60 2.220 1
19 1 4 1 "RMS(OBS, PRED)" C 66 1.159 1
20 1 4 1 "RMS(OBS, PRED)" CA 66 1.214 1
21 1 4 1 "RMS(OBS, PRED)" CB 61 1.311 1
22 1 4 1 "RMS(OBS, PRED)" H 60 0.477 1
23 1 4 1 "RMS(OBS, PRED)" HA 73 0.273 1
24 1 4 1 "RMS(OBS, PRED)" N 60 2.391 1
25 1 5 1 "RMS(OBS, PRED)" C 66 0.994 1
26 1 5 1 "RMS(OBS, PRED)" CA 66 1.099 1
27 1 5 1 "RMS(OBS, PRED)" CB 61 1.248 1
28 1 5 1 "RMS(OBS, PRED)" H 60 0.433 1
29 1 5 1 "RMS(OBS, PRED)" HA 73 0.272 1
30 1 5 1 "RMS(OBS, PRED)" N 60 2.458 1
31 1 6 1 "RMS(OBS, PRED)" C 66 1.113 1
32 1 6 1 "RMS(OBS, PRED)" CA 66 1.131 1
33 1 6 1 "RMS(OBS, PRED)" CB 61 1.295 1
34 1 6 1 "RMS(OBS, PRED)" H 60 0.413 1
35 1 6 1 "RMS(OBS, PRED)" HA 73 0.315 1
36 1 6 1 "RMS(OBS, PRED)" N 60 2.014 1
37 1 7 1 "RMS(OBS, PRED)" C 66 1.138 1
38 1 7 1 "RMS(OBS, PRED)" CA 66 1.186 1
39 1 7 1 "RMS(OBS, PRED)" CB 61 1.194 1
40 1 7 1 "RMS(OBS, PRED)" H 60 0.435 1
41 1 7 1 "RMS(OBS, PRED)" HA 73 0.290 1
42 1 7 1 "RMS(OBS, PRED)" N 60 2.568 1
43 1 8 1 "RMS(OBS, PRED)" C 66 1.054 1
44 1 8 1 "RMS(OBS, PRED)" CA 66 1.097 1
45 1 8 1 "RMS(OBS, PRED)" CB 61 1.297 1
46 1 8 1 "RMS(OBS, PRED)" H 60 0.430 1
47 1 8 1 "RMS(OBS, PRED)" HA 73 0.294 1
48 1 8 1 "RMS(OBS, PRED)" N 60 2.361 1
49 1 9 1 "RMS(OBS, PRED)" C 66 1.158 1
50 1 9 1 "RMS(OBS, PRED)" CA 66 1.202 1
51 1 9 1 "RMS(OBS, PRED)" CB 61 1.310 1
52 1 9 1 "RMS(OBS, PRED)" H 60 0.473 1
53 1 9 1 "RMS(OBS, PRED)" HA 73 0.290 1
54 1 9 1 "RMS(OBS, PRED)" N 60 2.735 1
55 1 10 1 "RMS(OBS, PRED)" C 66 1.052 1
56 1 10 1 "RMS(OBS, PRED)" CA 66 1.120 1
57 1 10 1 "RMS(OBS, PRED)" CB 61 1.445 1
58 1 10 1 "RMS(OBS, PRED)" H 60 0.393 1
59 1 10 1 "RMS(OBS, PRED)" HA 73 0.295 1
60 1 10 1 "RMS(OBS, PRED)" N 60 2.004 1
61 1 11 1 "RMS(OBS, PRED)" C 66 1.136 1
62 1 11 1 "RMS(OBS, PRED)" CA 66 1.235 1
63 1 11 1 "RMS(OBS, PRED)" CB 61 1.382 1
64 1 11 1 "RMS(OBS, PRED)" H 60 0.433 1
65 1 11 1 "RMS(OBS, PRED)" HA 73 0.338 1
66 1 11 1 "RMS(OBS, PRED)" N 60 2.289 1
67 1 12 1 "RMS(OBS, PRED)" C 66 1.150 1
68 1 12 1 "RMS(OBS, PRED)" CA 66 1.172 1
69 1 12 1 "RMS(OBS, PRED)" CB 61 1.460 1
70 1 12 1 "RMS(OBS, PRED)" H 60 0.423 1
71 1 12 1 "RMS(OBS, PRED)" HA 73 0.290 1
72 1 12 1 "RMS(OBS, PRED)" N 60 2.181 1
73 1 13 1 "RMS(OBS, PRED)" C 66 1.048 1
74 1 13 1 "RMS(OBS, PRED)" CA 66 1.157 1
75 1 13 1 "RMS(OBS, PRED)" CB 61 1.322 1
76 1 13 1 "RMS(OBS, PRED)" H 60 0.487 1
77 1 13 1 "RMS(OBS, PRED)" HA 73 0.280 1
78 1 13 1 "RMS(OBS, PRED)" N 60 2.729 1
79 1 14 1 "RMS(OBS, PRED)" C 66 1.136 1
80 1 14 1 "RMS(OBS, PRED)" CA 66 1.173 1
81 1 14 1 "RMS(OBS, PRED)" CB 61 1.466 1
82 1 14 1 "RMS(OBS, PRED)" H 60 0.480 1
83 1 14 1 "RMS(OBS, PRED)" HA 73 0.327 1
84 1 14 1 "RMS(OBS, PRED)" N 60 2.210 1
85 1 15 1 "RMS(OBS, PRED)" C 66 1.202 1
86 1 15 1 "RMS(OBS, PRED)" CA 66 1.150 1
87 1 15 1 "RMS(OBS, PRED)" CB 61 1.370 1
88 1 15 1 "RMS(OBS, PRED)" H 60 0.464 1
89 1 15 1 "RMS(OBS, PRED)" HA 73 0.284 1
90 1 15 1 "RMS(OBS, PRED)" N 60 2.427 1
91 1 16 1 "RMS(OBS, PRED)" C 66 1.105 1
92 1 16 1 "RMS(OBS, PRED)" CA 66 1.211 1
93 1 16 1 "RMS(OBS, PRED)" CB 61 1.307 1
94 1 16 1 "RMS(OBS, PRED)" H 60 0.410 1
95 1 16 1 "RMS(OBS, PRED)" HA 73 0.312 1
96 1 16 1 "RMS(OBS, PRED)" N 60 2.272 1
97 1 17 1 "RMS(OBS, PRED)" C 66 1.184 1
98 1 17 1 "RMS(OBS, PRED)" CA 66 1.187 1
99 1 17 1 "RMS(OBS, PRED)" CB 61 1.407 1
100 1 17 1 "RMS(OBS, PRED)" H 60 0.466 1
101 1 17 1 "RMS(OBS, PRED)" HA 73 0.326 1
102 1 17 1 "RMS(OBS, PRED)" N 60 2.137 1
103 1 18 1 "RMS(OBS, PRED)" C 66 1.124 1
104 1 18 1 "RMS(OBS, PRED)" CA 66 1.245 1
105 1 18 1 "RMS(OBS, PRED)" CB 61 1.358 1
106 1 18 1 "RMS(OBS, PRED)" H 60 0.436 1
107 1 18 1 "RMS(OBS, PRED)" HA 73 0.334 1
108 1 18 1 "RMS(OBS, PRED)" N 60 2.033 1
109 1 19 1 "RMS(OBS, PRED)" C 66 1.199 1
110 1 19 1 "RMS(OBS, PRED)" CA 66 1.209 1
111 1 19 1 "RMS(OBS, PRED)" CB 61 1.326 1
112 1 19 1 "RMS(OBS, PRED)" H 60 0.461 1
113 1 19 1 "RMS(OBS, PRED)" HA 73 0.308 1
114 1 19 1 "RMS(OBS, PRED)" N 60 2.594 1
115 1 20 1 "RMS(OBS, PRED)" C 66 1.130 1
116 1 20 1 "RMS(OBS, PRED)" CA 66 1.172 1
117 1 20 1 "RMS(OBS, PRED)" CB 61 1.257 1
118 1 20 1 "RMS(OBS, PRED)" H 60 0.460 1
119 1 20 1 "RMS(OBS, PRED)" HA 73 0.316 1
120 1 20 1 "RMS(OBS, PRED)" N 60 2.667 1
stop_
save_
save_delta_chem_shifts_average
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average
_Entity_delta_chem_shifts.Conformer_type "average"
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 A 7 7 GLY HA2 H 7 4.014 4.227 -0.213 2
1 2 . 1 1 A 7 7 GLY HA3 H 7 4.014 4.228 -0.214 2
1 3 . 1 1 A 7 7 GLY C C 7 174.578 172.848 1.730 2
1 4 . 1 1 A 7 7 GLY CA C 7 45.445 45.449 -0.004 2
1 5 . 1 1 A 8 8 GLY H H 8 8.219 8.419 -0.200 2
1 6 . 1 1 A 8 8 GLY HA2 H 8 3.959 4.210 -0.251 2
1 7 . 1 1 A 8 8 GLY HA3 H 8 3.959 4.211 -0.252 2
1 8 . 1 1 A 8 8 GLY C C 8 173.898 172.593 1.305 2
1 9 . 1 1 A 8 8 GLY CA C 8 44.923 45.559 -0.636 2
1 10 . 1 1 A 8 8 GLY N N 8 108.655 108.911 -0.256 2
1 11 . 1 1 A 9 9 GLU H H 9 8.378 8.602 -0.224 2
1 12 . 1 1 A 9 9 GLU HA H 9 4.586 4.706 -0.120 2
1 16 . 1 1 A 9 9 GLU C C 9 175.015 174.440 0.575 2
1 17 . 1 1 A 9 9 GLU CA C 9 54.661 54.282 0.379 2
1 18 . 1 1 A 9 9 GLU CB C 9 29.534 31.231 -1.697 2
1 20 . 1 1 A 9 9 GLU N N 9 121.838 120.063 1.775 2
1 21 . 1 1 A 10 10 PRO HA H 10 4.428 4.517 -0.089 2
1 28 . 1 1 A 10 10 PRO C C 10 177.856 176.341 1.515 2
1 29 . 1 1 A 10 10 PRO CA C 10 63.767 62.842 0.925 2
1 30 . 1 1 A 10 10 PRO CB C 10 32.080 32.990 -0.910 2
1 33 . 1 1 A 11 11 GLY H H 11 8.556 8.271 0.285 2
1 34 . 1 1 A 11 11 GLY HA2 H 11 3.997 4.120 -0.123 2
1 35 . 1 1 A 11 11 GLY HA3 H 11 3.997 4.122 -0.125 2
1 36 . 1 1 A 11 11 GLY C C 11 174.724 172.787 1.937 2
1 37 . 1 1 A 11 11 GLY CA C 11 45.529 45.420 0.109 2
1 38 . 1 1 A 11 11 GLY N N 11 108.931 107.493 1.438 2
1 39 . 1 1 A 12 12 THR H H 12 7.973 8.489 -0.516 2
1 40 . 1 1 A 12 12 THR HA H 12 4.306 4.856 -0.550 2
1 45 . 1 1 A 12 12 THR C C 12 174.942 173.417 1.525 2
1 46 . 1 1 A 12 12 THR CA C 12 62.240 61.163 1.077 2
1 47 . 1 1 A 12 12 THR CB C 12 69.882 70.836 -0.954 2
1 49 . 1 1 A 12 12 THR N N 12 113.454 114.774 -1.320 2
1 50 . 1 1 A 13 13 LYS H H 13 8.313 8.626 -0.313 2
1 51 . 1 1 A 13 13 LYS HA H 13 4.281 4.757 -0.476 2
1 58 . 1 1 A 13 13 LYS C C 13 176.520 175.404 1.116 2
1 59 . 1 1 A 13 13 LYS CA C 13 56.565 55.910 0.655 2
1 60 . 1 1 A 13 13 LYS CB C 13 32.590 34.613 -2.023 2
1 64 . 1 1 A 13 13 LYS N N 13 123.479 123.574 -0.095 2
1 65 . 1 1 A 14 14 ALA H H 14 8.192 8.459 -0.267 2
1 66 . 1 1 A 14 14 ALA HA H 14 4.272 4.685 -0.413 2
1 70 . 1 1 A 14 14 ALA C C 14 177.807 176.263 1.544 2
1 71 . 1 1 A 14 14 ALA CA C 14 52.581 52.005 0.576 2
1 72 . 1 1 A 14 14 ALA CB C 14 19.258 21.114 -1.856 2
1 73 . 1 1 A 14 14 ALA N N 14 124.692 123.947 0.745 2
1 74 . 1 1 A 15 15 LYS H H 15 8.264 8.493 -0.229 2
1 75 . 1 1 A 15 15 LYS HA H 15 4.296 4.716 -0.420 2
1 81 . 1 1 A 15 15 LYS C C 15 176.812 175.527 1.285 2
1 82 . 1 1 A 15 15 LYS CA C 15 56.403 55.348 1.055 2
1 83 . 1 1 A 15 15 LYS CB C 15 32.979 34.508 -1.529 2
1 87 . 1 1 A 15 15 LYS N N 15 120.979 119.663 1.316 2
1 88 . 1 1 A 16 16 LYS H H 16 8.330 8.621 -0.291 2
1 89 . 1 1 A 16 16 LYS HA H 16 4.289 4.573 -0.284 2
1 93 . 1 1 A 16 16 LYS C C 16 177.103 176.507 0.596 2
1 94 . 1 1 A 16 16 LYS CB C 16 33.072 34.124 -1.052 2
1 98 . 1 1 A 16 16 LYS N N 16 122.581 122.598 -0.017 2
1 99 . 1 1 A 22 22 THR HA H 22 4.294 4.707 -0.413 2
1 104 . 1 1 A 22 22 THR C C 22 174.020 173.946 0.074 2
1 105 . 1 1 A 22 22 THR CA C 22 61.928 61.059 0.869 2
1 106 . 1 1 A 22 22 THR CB C 22 69.730 70.555 -0.825 2
1 108 . 1 1 A 23 23 VAL H H 23 8.087 8.631 -0.544 2
1 109 . 1 1 A 23 23 VAL HA H 23 4.112 4.507 -0.395 2
1 117 . 1 1 A 23 23 VAL C C 23 175.646 174.850 0.796 2
1 118 . 1 1 A 23 23 VAL CA C 23 62.011 60.872 1.139 2
1 119 . 1 1 A 23 23 VAL CB C 23 33.060 32.920 0.140 2
1 122 . 1 1 A 23 23 VAL N N 23 123.252 123.877 -0.625 2
1 123 . 1 1 A 24 24 PHE H H 24 8.220 8.456 -0.236 2
1 124 . 1 1 A 24 24 PHE HA H 24 4.976 5.073 -0.097 2
1 132 . 1 1 A 24 24 PHE C C 24 176.739 175.602 1.137 2
1 133 . 1 1 A 24 24 PHE CA C 24 56.389 56.897 -0.508 2
1 134 . 1 1 A 24 24 PHE CB C 24 40.492 41.054 -0.562 2
1 140 . 1 1 A 24 24 PHE N N 24 123.332 123.866 -0.534 2
1 141 . 1 1 A 25 25 THR H H 25 9.003 8.780 0.223 2
1 142 . 1 1 A 25 25 THR HA H 25 4.470 4.764 -0.294 2
1 147 . 1 1 A 25 25 THR C C 25 175.209 176.128 -0.919 2
1 148 . 1 1 A 25 25 THR CA C 25 60.598 60.425 0.173 2
1 149 . 1 1 A 25 25 THR CB C 25 70.801 71.041 -0.240 2
1 151 . 1 1 A 25 25 THR N N 25 113.078 114.514 -1.436 2
1 152 . 1 1 A 26 26 GLU H H 26 8.991 9.031 -0.040 2
1 153 . 1 1 A 26 26 GLU HA H 26 4.036 3.981 0.055 2
1 158 . 1 1 A 26 26 GLU C C 26 179.118 178.767 0.351 2
1 159 . 1 1 A 26 26 GLU CA C 26 60.222 59.620 0.602 2
1 160 . 1 1 A 26 26 GLU CB C 26 29.271 29.287 -0.016 2
1 162 . 1 1 A 26 26 GLU N N 26 120.978 122.547 -1.569 2
1 163 . 1 1 A 27 27 LEU H H 27 8.120 8.029 0.091 2
1 164 . 1 1 A 27 27 LEU HA H 27 4.117 4.027 0.090 2
1 174 . 1 1 A 27 27 LEU C C 27 180.623 178.756 1.867 2
1 175 . 1 1 A 27 27 LEU CA C 27 58.187 58.139 0.048 2
1 176 . 1 1 A 27 27 LEU CB C 27 42.220 41.884 0.336 2
1 180 . 1 1 A 27 27 LEU N N 27 118.897 121.378 -2.481 2
1 181 . 1 1 A 28 28 GLN H H 28 7.733 7.988 -0.255 2
1 182 . 1 1 A 28 28 GLN HA H 28 3.864 3.970 -0.106 2
1 189 . 1 1 A 28 28 GLN C C 28 177.492 178.845 -1.353 2
1 190 . 1 1 A 28 28 GLN CA C 28 59.212 58.746 0.465 2
1 191 . 1 1 A 28 28 GLN CB C 28 27.740 28.225 -0.485 2
1 193 . 1 1 A 28 28 GLN N N 28 119.947 117.795 2.152 2
1 195 . 1 1 A 29 29 LEU H H 29 8.336 8.409 -0.073 2
1 196 . 1 1 A 29 29 LEU HA H 29 3.665 3.742 -0.077 2
1 206 . 1 1 A 29 29 LEU C C 29 179.118 178.693 0.425 2
1 207 . 1 1 A 29 29 LEU CA C 29 58.068 57.754 0.314 2
1 208 . 1 1 A 29 29 LEU CB C 29 41.582 41.486 0.096 2
1 212 . 1 1 A 29 29 LEU N N 29 118.154 119.853 -1.699 2
1 213 . 1 1 A 30 30 MET H H 30 8.282 8.265 0.017 2
1 214 . 1 1 A 30 30 MET HA H 30 4.118 4.054 0.064 2
1 222 . 1 1 A 30 30 MET C C 30 179.070 178.778 0.292 2
1 223 . 1 1 A 30 30 MET CA C 30 58.583 58.641 -0.058 2
1 224 . 1 1 A 30 30 MET CB C 30 32.665 32.254 0.411 2
1 227 . 1 1 A 30 30 MET N N 30 117.314 118.685 -1.371 2
1 228 . 1 1 A 31 31 GLY H H 31 7.904 8.132 -0.228 2
1 229 . 1 1 A 31 31 GLY HA2 H 31 3.787 3.624 0.163 2
1 230 . 1 1 A 31 31 GLY HA3 H 31 3.631 3.644 -0.013 2
1 231 . 1 1 A 31 31 GLY C C 31 176.618 175.530 1.088 2
1 232 . 1 1 A 31 31 GLY CA C 31 47.231 47.214 0.017 2
1 233 . 1 1 A 31 31 GLY N N 31 107.053 107.028 0.025 2
1 234 . 1 1 A 32 32 LEU H H 32 7.982 8.280 -0.298 2
1 235 . 1 1 A 32 32 LEU HA H 32 3.577 3.851 -0.274 2
1 245 . 1 1 A 32 32 LEU C C 32 177.564 179.266 -1.702 2
1 246 . 1 1 A 32 32 LEU CA C 32 58.318 57.526 0.792 2
1 247 . 1 1 A 32 32 LEU CB C 32 38.280 40.706 -2.426 2
1 251 . 1 1 A 32 32 LEU N N 32 125.323 122.427 2.896 2
1 252 . 1 1 A 33 33 GLU H H 33 8.054 8.140 -0.086 2
1 253 . 1 1 A 33 33 GLU HA H 33 4.283 4.108 0.175 2
1 258 . 1 1 A 33 33 GLU C C 33 180.041 179.398 0.643 2
1 259 . 1 1 A 33 33 GLU CA C 33 59.157 59.719 -0.562 2
1 260 . 1 1 A 33 33 GLU CB C 33 29.155 29.397 -0.242 2
1 262 . 1 1 A 33 33 GLU N N 33 118.448 117.844 0.604 2
1 263 . 1 1 A 34 34 LYS H H 34 8.229 7.741 0.488 2
1 264 . 1 1 A 34 34 LYS HA H 34 4.099 4.006 0.093 2
1 271 . 1 1 A 34 34 LYS C C 34 179.822 179.019 0.803 2
1 272 . 1 1 A 34 34 LYS CA C 34 58.789 59.638 -0.849 2
1 273 . 1 1 A 34 34 LYS CB C 34 32.073 32.374 -0.301 2
1 277 . 1 1 A 34 34 LYS N N 34 118.230 121.097 -2.867 2
1 278 . 1 1 A 35 35 ARG H H 35 7.560 7.936 -0.376 2
1 279 . 1 1 A 35 35 ARG HA H 35 4.190 4.078 0.112 2
1 286 . 1 1 A 35 35 ARG C C 35 178.001 178.809 -0.808 2
1 287 . 1 1 A 35 35 ARG CA C 35 57.095 59.445 -2.350 2
1 288 . 1 1 A 35 35 ARG CB C 35 28.882 30.154 -1.272 2
1 291 . 1 1 A 35 35 ARG N N 35 120.162 118.654 1.508 2
1 292 . 1 1 A 36 36 PHE H H 36 8.810 8.354 0.456 2
1 293 . 1 1 A 36 36 PHE HA H 36 4.227 3.997 0.231 2
1 301 . 1 1 A 36 36 PHE C C 36 176.520 177.261 -0.741 2
1 302 . 1 1 A 36 36 PHE CA C 36 60.886 61.419 -0.533 2
1 303 . 1 1 A 36 36 PHE CB C 36 39.333 38.891 0.442 2
1 309 . 1 1 A 36 36 PHE N N 36 122.860 120.651 2.209 2
1 310 . 1 1 A 37 37 GLU H H 37 7.772 8.543 -0.771 2
1 311 . 1 1 A 37 37 GLU HA H 37 3.701 4.024 -0.323 2
1 316 . 1 1 A 37 37 GLU C C 37 177.297 179.029 -1.732 2
1 317 . 1 1 A 37 37 GLU CA C 37 59.036 59.661 -0.625 2
1 318 . 1 1 A 37 37 GLU CB C 37 29.981 29.245 0.736 2
1 320 . 1 1 A 37 37 GLU N N 37 116.313 117.805 -1.492 2
1 321 . 1 1 A 38 38 LYS H H 38 7.005 7.733 -0.728 2
1 322 . 1 1 A 38 38 LYS HA H 38 4.280 4.139 0.141 2
1 329 . 1 1 A 38 38 LYS C C 38 177.079 176.835 0.244 2
1 330 . 1 1 A 38 38 LYS CA C 38 56.741 59.080 -2.339 2
1 331 . 1 1 A 38 38 LYS CB C 38 34.301 32.525 1.776 2
1 335 . 1 1 A 38 38 LYS N N 38 114.632 119.496 -4.864 2
1 336 . 1 1 A 39 39 GLN H H 39 8.641 8.143 0.498 2
1 337 . 1 1 A 39 39 GLN HA H 39 4.509 4.470 0.039 2
1 344 . 1 1 A 39 39 GLN C C 39 173.340 175.744 -2.404 2
1 345 . 1 1 A 39 39 GLN CA C 39 55.527 54.478 1.049 2
1 346 . 1 1 A 39 39 GLN CB C 39 31.827 29.690 2.137 2
1 348 . 1 1 A 39 39 GLN N N 39 120.830 117.779 3.051 2
1 350 . 1 1 A 40 40 LYS H H 40 8.474 8.297 0.177 2
1 351 . 1 1 A 40 40 LYS HA H 40 3.598 3.114 0.484 2
1 360 . 1 1 A 40 40 LYS C C 40 174.530 175.734 -1.204 2
1 361 . 1 1 A 40 40 LYS CA C 40 56.459 58.619 -2.160 2
1 362 . 1 1 A 40 40 LYS CB C 40 32.276 31.634 0.642 2
1 366 . 1 1 A 40 40 LYS N N 40 125.122 125.509 -0.387 2
1 367 . 1 1 A 41 41 TYR H H 41 7.513 7.516 -0.003 2
1 368 . 1 1 A 41 41 TYR HA H 41 4.537 5.192 -0.655 2
1 375 . 1 1 A 41 41 TYR C C 41 174.700 174.725 -0.025 2
1 376 . 1 1 A 41 41 TYR CA C 41 56.743 56.497 0.246 2
1 377 . 1 1 A 41 41 TYR CB C 41 41.274 42.172 -0.898 2
1 382 . 1 1 A 41 41 TYR N N 41 113.703 116.028 -2.325 2
1 383 . 1 1 A 42 42 LEU H H 42 8.544 8.770 -0.226 2
1 384 . 1 1 A 42 42 LEU HA H 42 4.610 4.676 -0.066 2
1 394 . 1 1 A 42 42 LEU C C 42 177.273 176.427 0.846 2
1 395 . 1 1 A 42 42 LEU CA C 42 53.408 53.920 -0.512 2
1 396 . 1 1 A 42 42 LEU CB C 42 44.040 44.050 -0.010 2
1 400 . 1 1 A 42 42 LEU N N 42 123.003 123.528 -0.525 2
1 401 . 1 1 A 43 43 SER H H 43 8.651 8.725 -0.074 2
1 402 . 1 1 A 43 43 SER HA H 43 4.621 4.550 0.071 2
1 405 . 1 1 A 43 43 SER C C 43 174.530 175.628 -1.098 2
1 406 . 1 1 A 43 43 SER CA C 43 57.053 58.371 -1.318 2
1 407 . 1 1 A 43 43 SER CB C 43 64.786 64.346 0.440 2
1 408 . 1 1 A 43 43 SER N N 43 118.850 118.453 0.397 2
1 409 . 1 1 A 44 44 THR H H 44 9.159 8.827 0.332 2
1 410 . 1 1 A 44 44 THR HA H 44 4.428 3.996 0.432 2
1 415 . 1 1 A 44 44 THR C C 44 175.428 173.565 1.863 2
1 416 . 1 1 A 44 44 THR CA C 44 66.563 67.635 -1.072 2
1 417 . 1 1 A 44 44 THR CB C 44 69.210 67.578 1.632 2
1 419 . 1 1 A 44 44 THR N N 44 117.903 118.747 -0.844 2
1 420 . 1 1 A 45 45 PRO HA H 45 4.188 4.300 -0.112 2
1 427 . 1 1 A 45 45 PRO C C 45 179.312 178.705 0.607 2
1 428 . 1 1 A 45 45 PRO CA C 45 66.163 66.070 0.093 2
1 429 . 1 1 A 45 45 PRO CB C 45 30.975 30.628 0.347 2
1 432 . 1 1 A 46 46 ASP H H 46 7.289 8.328 -1.039 2
1 433 . 1 1 A 46 46 ASP HA H 46 4.387 4.319 0.067 2
1 436 . 1 1 A 46 46 ASP C C 46 178.390 178.641 -0.251 2
1 437 . 1 1 A 46 46 ASP CA C 46 56.974 57.488 -0.514 2
1 438 . 1 1 A 46 46 ASP CB C 46 41.498 40.355 1.143 2
1 439 . 1 1 A 46 46 ASP N N 46 117.060 117.630 -0.570 2
1 440 . 1 1 A 47 47 ARG H H 47 8.493 7.877 0.616 2
1 441 . 1 1 A 47 47 ARG HA H 47 3.754 3.997 -0.243 2
1 448 . 1 1 A 47 47 ARG C C 47 177.880 178.687 -0.807 2
1 449 . 1 1 A 47 47 ARG CA C 47 60.123 58.738 1.385 2
1 450 . 1 1 A 47 47 ARG CB C 47 30.355 29.960 0.395 2
1 453 . 1 1 A 47 47 ARG N N 47 122.143 120.070 2.073 2
1 454 . 1 1 A 48 48 ILE H H 48 8.219 7.767 0.452 2
1 455 . 1 1 A 48 48 ILE HA H 48 3.475 3.596 -0.121 2
1 465 . 1 1 A 48 48 ILE C C 48 178.026 177.735 0.291 2
1 466 . 1 1 A 48 48 ILE CA C 48 66.105 65.408 0.697 2
1 467 . 1 1 A 48 48 ILE CB C 48 38.440 38.006 0.434 2
1 471 . 1 1 A 48 48 ILE N N 48 119.888 120.193 -0.305 2
1 472 . 1 1 A 49 49 ASP H H 49 7.775 8.293 -0.517 2
1 473 . 1 1 A 49 49 ASP HA H 49 4.406 4.293 0.113 2
1 476 . 1 1 A 49 49 ASP C C 49 178.900 178.169 0.731 2
1 477 . 1 1 A 49 49 ASP CA C 49 57.380 57.479 -0.099 2
1 478 . 1 1 A 49 49 ASP CB C 49 41.523 41.275 0.248 2
1 479 . 1 1 A 49 49 ASP N N 49 119.245 120.443 -1.198 2
1 480 . 1 1 A 50 50 LEU H H 50 8.344 7.931 0.413 2
1 481 . 1 1 A 50 50 LEU HA H 50 4.090 4.038 0.052 2
1 491 . 1 1 A 50 50 LEU C C 50 178.705 178.269 0.436 2
1 492 . 1 1 A 50 50 LEU CA C 50 57.651 58.174 -0.523 2
1 493 . 1 1 A 50 50 LEU CB C 50 42.526 41.960 0.566 2
1 497 . 1 1 A 50 50 LEU N N 50 121.649 120.432 1.217 2
1 498 . 1 1 A 51 51 ALA H H 51 8.513 8.347 0.166 2
1 499 . 1 1 A 51 51 ALA HA H 51 3.611 3.969 -0.358 2
1 503 . 1 1 A 51 51 ALA C C 51 179.749 179.550 0.199 2
1 504 . 1 1 A 51 51 ALA CA C 51 56.139 54.992 1.147 2
1 505 . 1 1 A 51 51 ALA CB C 51 17.519 18.406 -0.887 2
1 506 . 1 1 A 51 51 ALA N N 51 120.902 120.308 0.594 2
1 507 . 1 1 A 52 52 GLU H H 52 8.285 7.693 0.592 2
1 508 . 1 1 A 52 52 GLU HA H 52 4.097 4.130 -0.033 2
1 513 . 1 1 A 52 52 GLU C C 52 180.114 179.156 0.958 2
1 514 . 1 1 A 52 52 GLU CA C 52 59.307 59.004 0.303 2
1 515 . 1 1 A 52 52 GLU CB C 52 29.408 29.447 -0.038 2
1 517 . 1 1 A 52 52 GLU N N 52 116.933 118.367 -1.434 2
1 518 . 1 1 A 53 53 SER H H 53 8.229 8.189 0.040 2
1 519 . 1 1 A 53 53 SER HA H 53 4.251 4.181 0.070 2
1 522 . 1 1 A 53 53 SER C C 53 176.059 176.240 -0.181 2
1 523 . 1 1 A 53 53 SER CA C 53 61.347 61.872 -0.525 2
1 524 . 1 1 A 53 53 SER CB C 53 63.235 63.032 0.203 2
1 525 . 1 1 A 53 53 SER N N 53 114.615 116.765 -2.150 2
1 526 . 1 1 A 54 54 LEU H H 54 7.675 7.630 0.045 2
1 527 . 1 1 A 54 54 LEU HA H 54 4.513 4.296 0.217 2
1 537 . 1 1 A 54 54 LEU C C 54 177.516 177.121 0.395 2
1 538 . 1 1 A 54 54 LEU CA C 54 54.422 55.395 -0.973 2
1 539 . 1 1 A 54 54 LEU CB C 54 43.880 42.745 1.135 2
1 543 . 1 1 A 54 54 LEU N N 54 117.401 118.184 -0.783 2
1 544 . 1 1 A 55 55 GLY H H 55 7.941 8.016 -0.075 2
1 545 . 1 1 A 55 55 GLY HA2 H 55 3.982 3.936 0.046 2
1 546 . 1 1 A 55 55 GLY HA3 H 55 4.026 3.937 0.089 2
1 547 . 1 1 A 55 55 GLY C C 55 174.360 174.418 -0.058 2
1 548 . 1 1 A 55 55 GLY CA C 55 46.728 45.528 1.200 2
1 549 . 1 1 A 55 55 GLY N N 55 111.061 106.296 4.765 2
1 550 . 1 1 A 56 56 LEU H H 56 8.190 7.996 0.194 2
1 551 . 1 1 A 56 56 LEU HA H 56 4.803 4.686 0.117 2
1 561 . 1 1 A 56 56 LEU C C 56 175.914 175.833 0.081 2
1 562 . 1 1 A 56 56 LEU CA C 56 52.510 53.836 -1.326 2
1 563 . 1 1 A 56 56 LEU CB C 56 47.484 42.884 4.600 2
1 567 . 1 1 A 56 56 LEU N N 56 119.967 121.919 -1.952 2
1 568 . 1 1 A 57 57 SER H H 57 9.037 8.823 0.214 2
1 569 . 1 1 A 57 57 SER HA H 57 4.423 4.758 -0.335 2
1 572 . 1 1 A 57 57 SER C C 57 176.618 175.406 1.212 2
1 573 . 1 1 A 57 57 SER CA C 57 56.189 57.331 -1.142 2
1 574 . 1 1 A 57 57 SER CB C 57 65.579 64.708 0.871 2
1 575 . 1 1 A 57 57 SER N N 57 115.098 116.945 -1.847 2
1 576 . 1 1 A 58 58 GLN HA H 58 3.741 3.959 -0.218 2
1 583 . 1 1 A 58 58 GLN C C 58 177.904 178.160 -0.256 2
1 584 . 1 1 A 58 58 GLN CA C 58 60.504 59.126 1.378 2
1 585 . 1 1 A 58 58 GLN CB C 58 28.365 28.301 0.064 2
1 588 . 1 1 A 59 59 LEU H H 59 8.207 8.118 0.089 2
1 589 . 1 1 A 59 59 LEU HA H 59 4.192 4.081 0.111 2
1 599 . 1 1 A 59 59 LEU C C 59 179.871 178.738 1.133 2
1 600 . 1 1 A 59 59 LEU CA C 59 57.878 58.074 -0.196 2
1 601 . 1 1 A 59 59 LEU CB C 59 41.747 41.739 0.008 2
1 605 . 1 1 A 59 59 LEU N N 59 120.246 121.681 -1.435 2
1 606 . 1 1 A 60 60 GLN H H 60 8.125 8.455 -0.330 2
1 607 . 1 1 A 60 60 GLN HA H 60 4.214 4.205 0.009 2
1 614 . 1 1 A 60 60 GLN C C 60 179.434 178.795 0.639 2
1 615 . 1 1 A 60 60 GLN CA C 60 59.530 59.038 0.492 2
1 616 . 1 1 A 60 60 GLN CB C 60 29.651 28.650 1.001 2
1 618 . 1 1 A 60 60 GLN N N 60 120.637 118.051 2.586 2
1 620 . 1 1 A 61 61 VAL H H 61 7.717 7.988 -0.271 2
1 621 . 1 1 A 61 61 VAL HA H 61 3.673 3.795 -0.122 2
1 629 . 1 1 A 61 61 VAL C C 61 176.982 177.936 -0.954 2
1 630 . 1 1 A 61 61 VAL CA C 61 67.670 67.085 0.585 2
1 631 . 1 1 A 61 61 VAL CB C 61 31.899 31.496 0.403 2
1 634 . 1 1 A 61 61 VAL N N 61 118.389 120.146 -1.757 2
1 635 . 1 1 A 62 62 LYS H H 62 8.578 7.979 0.599 2
1 636 . 1 1 A 62 62 LYS HA H 62 4.423 4.054 0.369 2
1 644 . 1 1 A 62 62 LYS C C 62 179.749 178.940 0.809 2
1 645 . 1 1 A 62 62 LYS CA C 62 59.821 59.911 -0.090 2
1 646 . 1 1 A 62 62 LYS CB C 62 33.793 32.559 1.234 2
1 650 . 1 1 A 62 62 LYS N N 62 120.540 120.467 0.073 2
1 651 . 1 1 A 63 63 THR H H 63 8.722 8.526 0.196 2
1 652 . 1 1 A 63 63 THR HA H 63 4.007 4.007 -0.000 2
1 657 . 1 1 A 63 63 THR C C 63 176.059 176.656 -0.597 2
1 658 . 1 1 A 63 63 THR CA C 63 66.527 67.044 -0.517 2
1 659 . 1 1 A 63 63 THR CB C 63 69.236 68.684 0.552 2
1 661 . 1 1 A 63 63 THR N N 63 115.962 114.582 1.380 2
1 662 . 1 1 A 64 64 TRP H H 64 8.506 8.763 -0.257 2
1 663 . 1 1 A 64 64 TRP HA H 64 4.064 4.222 -0.158 2
1 672 . 1 1 A 64 64 TRP C C 64 179.264 178.062 1.202 2
1 673 . 1 1 A 64 64 TRP CA C 64 63.070 61.155 1.915 2
1 674 . 1 1 A 64 64 TRP CB C 64 29.048 29.694 -0.646 2
1 680 . 1 1 A 64 64 TRP N N 64 123.609 121.241 2.368 2
1 682 . 1 1 A 65 65 TYR H H 65 9.152 8.812 0.340 2
1 683 . 1 1 A 65 65 TYR HA H 65 3.660 4.502 -0.842 2
1 690 . 1 1 A 65 65 TYR C C 65 178.535 178.429 0.106 2
1 691 . 1 1 A 65 65 TYR CA C 65 63.749 61.827 1.922 2
1 692 . 1 1 A 65 65 TYR CB C 65 39.082 38.588 0.494 2
1 697 . 1 1 A 65 65 TYR N N 65 121.400 118.726 2.674 2
1 698 . 1 1 A 66 66 GLN H H 66 7.981 8.234 -0.253 2
1 699 . 1 1 A 66 66 GLN HA H 66 4.036 4.076 -0.040 2
1 706 . 1 1 A 66 66 GLN C C 66 179.045 178.639 0.406 2
1 707 . 1 1 A 66 66 GLN CA C 66 59.255 59.249 0.006 2
1 708 . 1 1 A 66 66 GLN CB C 66 28.207 28.461 -0.254 2
1 710 . 1 1 A 66 66 GLN N N 66 116.821 119.327 -2.506 2
1 712 . 1 1 A 67 67 ASN H H 67 7.862 8.265 -0.403 2
1 713 . 1 1 A 67 67 ASN HA H 67 4.367 4.456 -0.089 2
1 718 . 1 1 A 67 67 ASN C C 67 177.759 177.918 -0.159 2
1 719 . 1 1 A 67 67 ASN CA C 67 55.852 56.021 -0.169 2
1 720 . 1 1 A 67 67 ASN CB C 67 38.119 37.861 0.258 2
1 721 . 1 1 A 67 67 ASN N N 67 118.257 117.864 0.393 2
1 723 . 1 1 A 68 68 ARG H H 68 8.533 7.976 0.557 2
1 724 . 1 1 A 68 68 ARG HA H 68 3.430 3.698 -0.268 2
1 732 . 1 1 A 68 68 ARG C C 68 179.992 178.873 1.119 2
1 733 . 1 1 A 68 68 ARG CA C 68 56.391 59.069 -2.678 2
1 734 . 1 1 A 68 68 ARG CB C 68 27.959 29.319 -1.359 2
1 737 . 1 1 A 68 68 ARG N N 68 123.922 119.151 4.771 2
1 739 . 1 1 A 69 69 ARG H H 69 8.226 8.304 -0.078 2
1 740 . 1 1 A 69 69 ARG HA H 69 4.357 4.363 -0.006 2
1 747 . 1 1 A 69 69 ARG C C 69 178.535 179.154 -0.619 2
1 748 . 1 1 A 69 69 ARG CA C 69 60.681 59.527 1.154 2
1 749 . 1 1 A 69 69 ARG CB C 69 31.938 30.204 1.734 2
1 752 . 1 1 A 69 69 ARG N N 69 118.839 119.446 -0.607 2
1 753 . 1 1 A 70 70 MET H H 70 7.480 8.068 -0.588 2
1 754 . 1 1 A 70 70 MET HA H 70 4.287 4.123 0.164 2
1 762 . 1 1 A 70 70 MET C C 70 178.098 178.527 -0.429 2
1 763 . 1 1 A 70 70 MET CA C 70 58.381 59.060 -0.679 2
1 764 . 1 1 A 70 70 MET CB C 70 32.011 32.462 -0.451 2
1 767 . 1 1 A 70 70 MET N N 70 118.164 119.519 -1.355 2
1 768 . 1 1 A 71 71 LYS H H 71 7.298 7.736 -0.438 2
1 769 . 1 1 A 71 71 LYS HA H 71 4.086 4.042 0.044 2
1 778 . 1 1 A 71 71 LYS C C 71 177.831 178.740 -0.909 2
1 779 . 1 1 A 71 71 LYS CA C 71 58.324 58.808 -0.484 2
1 780 . 1 1 A 71 71 LYS CB C 71 32.732 32.175 0.557 2
1 784 . 1 1 A 71 71 LYS N N 71 118.798 119.397 -0.599 2
1 785 . 1 1 A 72 72 TRP H H 72 7.952 8.308 -0.356 2
1 786 . 1 1 A 72 72 TRP HA H 72 4.721 4.216 0.505 2
1 795 . 1 1 A 72 72 TRP C C 72 177.152 177.086 0.066 2
1 796 . 1 1 A 72 72 TRP CA C 72 58.506 60.576 -2.070 2
1 797 . 1 1 A 72 72 TRP CB C 72 29.602 29.718 -0.116 2
1 803 . 1 1 A 72 72 TRP N N 72 121.455 122.188 -0.733 2
1 805 . 1 1 A 73 73 LYS H H 73 8.241 8.134 0.107 2
1 806 . 1 1 A 73 73 LYS HA H 73 3.781 3.555 0.226 2
1 815 . 1 1 A 73 73 LYS C C 73 176.957 176.233 0.724 2
1 816 . 1 1 A 73 73 LYS CA C 73 57.074 56.624 0.450 2
1 817 . 1 1 A 73 73 LYS CB C 73 32.567 32.687 -0.120 2
1 821 . 1 1 A 73 73 LYS N N 73 120.065 118.278 1.787 2
1 822 . 1 1 A 74 74 LYS H H 74 7.705 8.104 -0.399 2
1 823 . 1 1 A 74 74 LYS HA H 74 4.154 4.400 -0.246 2
1 830 . 1 1 A 74 74 LYS C C 74 176.836 175.766 1.070 2
1 831 . 1 1 A 74 74 LYS CA C 74 57.028 56.063 0.965 2
1 832 . 1 1 A 74 74 LYS CB C 74 32.402 33.135 -0.733 2
1 836 . 1 1 A 74 74 LYS N N 74 120.036 122.444 -2.408 2
1 837 . 1 1 A 75 75 SER H H 75 7.986 8.403 -0.417 2
1 838 . 1 1 A 75 75 SER HA H 75 4.470 4.710 -0.240 2
1 841 . 1 1 A 75 75 SER C C 75 174.530 173.853 0.677 2
1 842 . 1 1 A 75 75 SER CA C 75 58.786 57.709 1.077 2
1 843 . 1 1 A 75 75 SER CB C 75 63.975 64.199 -0.224 2
1 844 . 1 1 A 75 75 SER N N 75 115.488 117.837 -2.349 2
1 845 . 1 1 A 76 76 GLY H H 76 8.040 8.280 -0.240 2
1 846 . 1 1 A 76 76 GLY HA2 H 76 4.076 4.074 0.002 2
1 847 . 1 1 A 76 76 GLY HA3 H 76 4.099 4.079 0.020 2
1 848 . 1 1 A 76 76 GLY C C 76 171.835 173.923 -2.088 2
1 849 . 1 1 A 76 76 GLY CA C 76 44.789 45.536 -0.747 2
1 850 . 1 1 A 76 76 GLY N N 76 110.454 111.214 -0.760 2
1 851 . 1 1 A 77 77 PRO HA H 77 4.456 4.487 -0.031 2
1 856 . 1 1 A 77 77 PRO CA C 77 63.323 63.673 -0.350 2
1 857 . 1 1 A 77 77 PRO CB C 77 32.209 31.861 0.348 2
1 860 . 1 1 A 79 79 SER HA H 79 4.506 4.732 -0.226 2
1 863 . 1 1 A 79 79 SER C C 79 173.947 174.395 -0.448 2
1 864 . 1 1 A 79 79 SER CA C 79 58.433 57.825 0.608 2
1 865 . 1 1 A 79 79 SER CB C 79 63.960 64.923 -0.963 2
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