data_10290_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 10290
_Entry.PDB_ID 2DJN
_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 8 8 ARG HA H 8 4.360 5.210 -0.850 1
1 8 . 1 1 1 A 8 8 ARG C C 8 176.260 174.622 1.638 1
1 9 . 1 1 1 A 8 8 ARG CA C 8 55.966 55.022 0.944 1
1 10 . 1 1 1 A 8 8 ARG CB C 8 30.838 33.409 -2.571 1
1 13 . 1 1 1 A 9 9 LYS H H 9 8.400 8.853 -0.453 1
1 14 . 1 1 1 A 9 9 LYS C C 9 174.555 175.933 -1.378 1
1 15 . 1 1 1 A 9 9 LYS CA C 9 54.274 54.061 0.213 1
1 16 . 1 1 1 A 9 9 LYS CB C 9 32.440 35.672 -3.232 1
1 17 . 1 1 1 A 9 9 LYS N N 9 124.470 125.129 -0.659 1
1 18 . 1 1 1 A 10 10 PRO HA H 10 4.441 4.400 0.041 1
1 25 . 1 1 1 A 10 10 PRO C C 10 176.789 176.954 -0.165 1
1 26 . 1 1 1 A 10 10 PRO CA C 10 63.088 64.828 -1.740 1
1 27 . 1 1 1 A 10 10 PRO CB C 10 32.156 32.067 0.089 1
1 30 . 1 1 1 A 11 11 ARG H H 11 8.471 7.923 0.548 1
1 31 . 1 1 1 A 11 11 ARG HA H 11 4.370 4.368 0.002 1
1 36 . 1 1 1 A 11 11 ARG C C 11 176.400 175.316 1.084 1
1 37 . 1 1 1 A 11 11 ARG CA C 11 56.439 55.406 1.033 1
1 38 . 1 1 1 A 11 11 ARG CB C 11 30.710 29.964 0.746 1
1 40 . 1 1 1 A 11 11 ARG N N 11 121.881 117.408 4.473 1
1 41 . 1 1 1 A 12 12 THR HA H 12 4.270 4.221 0.049 1
1 46 . 1 1 1 A 12 12 THR C C 12 173.737 176.121 -2.384 1
1 47 . 1 1 1 A 12 12 THR CA C 12 62.101 64.064 -1.963 1
1 48 . 1 1 1 A 12 12 THR CB C 12 69.896 69.939 -0.043 1
1 50 . 1 1 1 A 13 13 ILE H H 13 8.215 8.726 -0.511 1
1 51 . 1 1 1 A 13 13 ILE HA H 13 4.063 3.844 0.219 1
1 61 . 1 1 1 A 13 13 ILE C C 13 175.361 175.684 -0.323 1
1 62 . 1 1 1 A 13 13 ILE CA C 13 61.109 63.687 -2.578 1
1 63 . 1 1 1 A 13 13 ILE CB C 13 38.748 38.235 0.513 1
1 67 . 1 1 1 A 13 13 ILE N N 13 124.648 124.609 0.039 1
1 68 . 1 1 1 A 14 14 TYR H H 14 7.928 7.813 0.115 1
1 69 . 1 1 1 A 14 14 TYR HA H 14 4.923 5.254 -0.331 1
1 76 . 1 1 1 A 14 14 TYR C C 14 176.009 175.074 0.935 1
1 77 . 1 1 1 A 14 14 TYR CA C 14 56.425 56.866 -0.441 1
1 78 . 1 1 1 A 14 14 TYR CB C 14 39.984 42.374 -2.390 1
1 83 . 1 1 1 A 14 14 TYR N N 14 122.287 120.056 2.231 1
1 84 . 1 1 1 A 15 15 SER H H 15 9.368 8.614 0.754 1
1 85 . 1 1 1 A 15 15 SER HA H 15 4.639 4.730 -0.091 1
1 88 . 1 1 1 A 15 15 SER C C 15 175.065 175.813 -0.748 1
1 89 . 1 1 1 A 15 15 SER CA C 15 56.918 58.520 -1.602 1
1 90 . 1 1 1 A 15 15 SER CB C 15 65.646 63.904 1.742 1
1 91 . 1 1 1 A 15 15 SER N N 15 119.482 118.428 1.054 1
1 92 . 1 1 1 A 16 16 SER HA H 16 4.181 4.125 0.056 1
1 95 . 1 1 1 A 16 16 SER CA C 16 62.192 61.545 0.647 1
1 96 . 1 1 1 A 16 16 SER CB C 16 62.188 62.444 -0.256 1
1 97 . 1 1 1 A 17 17 PHE H H 17 7.815 8.083 -0.268 1
1 98 . 1 1 1 A 17 17 PHE HA H 17 4.313 4.114 0.199 1
1 106 . 1 1 1 A 17 17 PHE C C 17 177.979 178.110 -0.131 1
1 107 . 1 1 1 A 17 17 PHE CA C 17 60.981 61.457 -0.476 1
1 108 . 1 1 1 A 17 17 PHE CB C 17 39.519 39.310 0.209 1
1 114 . 1 1 1 A 17 17 PHE N N 17 119.320 123.846 -4.526 1
1 115 . 1 1 1 A 18 18 GLN H H 18 7.816 8.076 -0.260 1
1 116 . 1 1 1 A 18 18 GLN HA H 18 3.720 3.397 0.323 1
1 123 . 1 1 1 A 18 18 GLN C C 18 177.456 178.551 -1.095 1
1 124 . 1 1 1 A 18 18 GLN CA C 18 58.902 58.514 0.388 1
1 125 . 1 1 1 A 18 18 GLN CB C 18 28.118 28.416 -0.298 1
1 127 . 1 1 1 A 18 18 GLN N N 18 119.339 117.989 1.350 1
1 129 . 1 1 1 A 19 19 LEU H H 19 8.583 8.265 0.318 1
1 130 . 1 1 1 A 19 19 LEU HA H 19 3.570 3.628 -0.058 1
1 140 . 1 1 1 A 19 19 LEU C C 19 178.761 178.688 0.073 1
1 141 . 1 1 1 A 19 19 LEU CA C 19 57.837 57.970 -0.133 1
1 142 . 1 1 1 A 19 19 LEU CB C 19 41.883 42.120 -0.237 1
1 146 . 1 1 1 A 19 19 LEU N N 19 117.368 120.256 -2.888 1
1 147 . 1 1 1 A 20 20 ALA H H 20 7.918 8.576 -0.658 1
1 148 . 1 1 1 A 20 20 ALA HA H 20 4.019 4.013 0.006 1
1 152 . 1 1 1 A 20 20 ALA C C 20 180.256 180.110 0.146 1
1 153 . 1 1 1 A 20 20 ALA CA C 20 54.944 55.624 -0.680 1
1 154 . 1 1 1 A 20 20 ALA CB C 20 17.731 18.632 -0.901 1
1 155 . 1 1 1 A 20 20 ALA N N 20 120.010 120.917 -0.907 1
1 156 . 1 1 1 A 21 21 ALA H H 21 7.313 7.496 -0.183 1
1 157 . 1 1 1 A 21 21 ALA HA H 21 3.945 4.071 -0.126 1
1 161 . 1 1 1 A 21 21 ALA C C 21 181.088 179.671 1.417 1
1 162 . 1 1 1 A 21 21 ALA CA C 21 54.749 54.984 -0.235 1
1 163 . 1 1 1 A 21 21 ALA CB C 21 19.723 17.865 1.858 1
1 164 . 1 1 1 A 21 21 ALA N N 21 120.493 120.150 0.343 1
1 165 . 1 1 1 A 22 22 LEU H H 22 8.049 7.933 0.116 1
1 166 . 1 1 1 A 22 22 LEU HA H 22 3.507 3.668 -0.161 1
1 176 . 1 1 1 A 22 22 LEU C C 22 177.768 178.618 -0.850 1
1 177 . 1 1 1 A 22 22 LEU CA C 22 58.418 57.681 0.737 1
1 178 . 1 1 1 A 22 22 LEU CB C 22 38.280 41.074 -2.794 1
1 182 . 1 1 1 A 22 22 LEU N N 22 121.618 118.536 3.082 1
1 183 . 1 1 1 A 23 23 GLN H H 23 8.047 8.401 -0.354 1
1 184 . 1 1 1 A 23 23 GLN HA H 23 4.042 4.105 -0.063 1
1 191 . 1 1 1 A 23 23 GLN C C 23 178.945 178.743 0.202 1
1 192 . 1 1 1 A 23 23 GLN CA C 23 59.172 59.338 -0.166 1
1 193 . 1 1 1 A 23 23 GLN CB C 23 28.225 28.585 -0.360 1
1 195 . 1 1 1 A 23 23 GLN N N 23 117.012 117.093 -0.081 1
1 197 . 1 1 1 A 24 24 ARG H H 24 7.956 7.965 -0.009 1
1 198 . 1 1 1 A 24 24 ARG HA H 24 4.098 4.168 -0.070 1
1 205 . 1 1 1 A 24 24 ARG C C 24 179.440 178.572 0.868 1
1 206 . 1 1 1 A 24 24 ARG CA C 24 59.443 59.117 0.326 1
1 207 . 1 1 1 A 24 24 ARG CB C 24 30.290 29.977 0.313 1
1 210 . 1 1 1 A 24 24 ARG N N 24 118.511 119.165 -0.654 1
1 211 . 1 1 1 A 25 25 ARG H H 25 7.768 8.094 -0.326 1
1 212 . 1 1 1 A 25 25 ARG HA H 25 4.380 4.202 0.178 1
1 219 . 1 1 1 A 25 25 ARG C C 25 177.933 178.838 -0.905 1
1 220 . 1 1 1 A 25 25 ARG CA C 25 56.993 58.417 -1.424 1
1 221 . 1 1 1 A 25 25 ARG CB C 25 28.118 30.223 -2.105 1
1 224 . 1 1 1 A 25 25 ARG N N 25 119.018 120.046 -1.028 1
1 225 . 1 1 1 A 26 26 PHE H H 26 8.739 8.379 0.360 1
1 226 . 1 1 1 A 26 26 PHE HA H 26 4.680 4.380 0.300 1
1 234 . 1 1 1 A 26 26 PHE C C 26 175.842 177.346 -1.504 1
1 235 . 1 1 1 A 26 26 PHE CA C 26 60.339 61.238 -0.899 1
1 236 . 1 1 1 A 26 26 PHE CB C 26 39.477 38.832 0.645 1
1 242 . 1 1 1 A 26 26 PHE N N 26 121.838 120.701 1.137 1
1 243 . 1 1 1 A 27 27 GLN H H 27 7.712 8.319 -0.607 1
1 244 . 1 1 1 A 27 27 GLN HA H 27 3.979 4.246 -0.267 1
1 251 . 1 1 1 A 27 27 GLN C C 27 177.336 177.896 -0.560 1
1 252 . 1 1 1 A 27 27 GLN CA C 27 57.877 58.427 -0.550 1
1 253 . 1 1 1 A 27 27 GLN CB C 27 28.809 28.657 0.152 1
1 255 . 1 1 1 A 27 27 GLN N N 27 113.533 117.422 -3.889 1
1 257 . 1 1 1 A 28 28 LYS H H 28 7.469 7.594 -0.125 1
1 258 . 1 1 1 A 28 28 LYS HA H 28 4.316 4.259 0.057 1
1 267 . 1 1 1 A 28 28 LYS C C 28 177.011 176.672 0.339 1
1 268 . 1 1 1 A 28 28 LYS CA C 28 57.805 58.141 -0.336 1
1 269 . 1 1 1 A 28 28 LYS CB C 28 33.639 33.056 0.583 1
1 273 . 1 1 1 A 28 28 LYS N N 28 117.851 117.521 0.330 1
1 274 . 1 1 1 A 29 29 THR H H 29 8.373 7.290 1.083 1
1 275 . 1 1 1 A 29 29 THR HA H 29 4.457 4.490 -0.033 1
1 280 . 1 1 1 A 29 29 THR C C 29 171.650 173.378 -1.728 1
1 281 . 1 1 1 A 29 29 THR CA C 29 59.598 60.353 -0.755 1
1 282 . 1 1 1 A 29 29 THR CB C 29 70.546 70.637 -0.091 1
1 284 . 1 1 1 A 29 29 THR N N 29 113.944 109.063 4.881 1
1 285 . 1 1 1 A 30 30 GLN H H 30 8.210 8.454 -0.244 1
1 286 . 1 1 1 A 30 30 GLN HA H 30 3.863 3.692 0.171 1
1 293 . 1 1 1 A 30 30 GLN C C 30 174.111 175.811 -1.700 1
1 294 . 1 1 1 A 30 30 GLN CA C 30 56.868 57.742 -0.874 1
1 295 . 1 1 1 A 30 30 GLN CB C 30 27.841 29.707 -1.866 1
1 297 . 1 1 1 A 30 30 GLN N N 30 121.138 124.017 -2.879 1
1 299 . 1 1 1 A 31 31 TYR H H 31 7.532 7.568 -0.036 1
1 300 . 1 1 1 A 31 31 TYR HA H 31 4.700 5.126 -0.426 1
1 307 . 1 1 1 A 31 31 TYR C C 31 174.485 175.152 -0.667 1
1 308 . 1 1 1 A 31 31 TYR CA C 31 56.954 57.160 -0.206 1
1 309 . 1 1 1 A 31 31 TYR CB C 31 41.374 40.965 0.409 1
1 314 . 1 1 1 A 31 31 TYR N N 31 114.987 116.868 -1.881 1
1 315 . 1 1 1 A 32 32 LEU H H 32 8.382 8.687 -0.305 1
1 316 . 1 1 1 A 32 32 LEU HA H 32 4.486 4.780 -0.294 1
1 326 . 1 1 1 A 32 32 LEU C C 32 176.526 176.754 -0.228 1
1 327 . 1 1 1 A 32 32 LEU CA C 32 53.216 53.473 -0.257 1
1 328 . 1 1 1 A 32 32 LEU CB C 32 44.134 44.694 -0.560 1
1 332 . 1 1 1 A 32 32 LEU N N 32 123.429 122.695 0.734 1
1 333 . 1 1 1 A 33 33 ALA H H 33 8.805 8.784 0.021 1
1 334 . 1 1 1 A 33 33 ALA HA H 33 4.469 4.399 0.070 1
1 338 . 1 1 1 A 33 33 ALA C C 33 178.230 177.617 0.613 1
1 339 . 1 1 1 A 33 33 ALA CA C 33 51.183 52.065 -0.882 1
1 340 . 1 1 1 A 33 33 ALA CB C 33 19.852 20.142 -0.290 1
1 341 . 1 1 1 A 33 33 ALA N N 33 126.131 127.858 -1.727 1
1 342 . 1 1 1 A 34 34 LEU H H 34 8.898 8.792 0.106 1
1 343 . 1 1 1 A 34 34 LEU HA H 34 4.088 4.066 0.022 1
1 353 . 1 1 1 A 34 34 LEU C C 34 178.245 175.363 2.882 1
1 354 . 1 1 1 A 34 34 LEU CA C 34 60.712 59.456 1.256 1
1 355 . 1 1 1 A 34 34 LEU CB C 34 39.135 40.666 -1.531 1
1 359 . 1 1 1 A 34 34 LEU N N 34 122.061 120.611 1.450 1
1 360 . 1 1 1 A 35 35 PRO HA H 35 4.378 4.387 -0.009 1
1 367 . 1 1 1 A 35 35 PRO C C 35 179.888 178.696 1.192 1
1 368 . 1 1 1 A 35 35 PRO CA C 35 65.894 65.151 0.743 1
1 369 . 1 1 1 A 35 35 PRO CB C 35 30.618 31.224 -0.606 1
1 372 . 1 1 1 A 36 36 GLU H H 36 6.984 8.509 -1.525 1
1 373 . 1 1 1 A 36 36 GLU HA H 36 4.192 4.060 0.132 1
1 378 . 1 1 1 A 36 36 GLU C C 36 179.230 179.476 -0.246 1
1 379 . 1 1 1 A 36 36 GLU CA C 36 58.631 59.633 -1.002 1
1 380 . 1 1 1 A 36 36 GLU CB C 36 30.290 29.416 0.874 1
1 382 . 1 1 1 A 36 36 GLU N N 36 116.910 117.524 -0.614 1
1 383 . 1 1 1 A 37 37 ARG H H 37 8.489 8.204 0.285 1
1 384 . 1 1 1 A 37 37 ARG HA H 37 3.741 3.892 -0.151 1
1 391 . 1 1 1 A 37 37 ARG C C 37 177.835 178.354 -0.519 1
1 392 . 1 1 1 A 37 37 ARG CA C 37 60.076 58.615 1.461 1
1 393 . 1 1 1 A 37 37 ARG CB C 37 30.775 29.664 1.111 1
1 396 . 1 1 1 A 37 37 ARG N N 37 121.545 120.500 1.045 1
1 397 . 1 1 1 A 38 38 ALA H H 38 8.308 7.791 0.517 1
1 398 . 1 1 1 A 38 38 ALA HA H 38 3.941 4.026 -0.085 1
1 402 . 1 1 1 A 38 38 ALA C C 38 180.311 179.782 0.529 1
1 403 . 1 1 1 A 38 38 ALA CA C 38 55.446 54.803 0.643 1
1 404 . 1 1 1 A 38 38 ALA CB C 38 18.082 18.222 -0.140 1
1 405 . 1 1 1 A 38 38 ALA N N 38 120.571 121.571 -1.000 1
1 406 . 1 1 1 A 39 39 GLU H H 39 7.819 8.147 -0.328 1
1 407 . 1 1 1 A 39 39 GLU HA H 39 4.125 4.055 0.070 1
1 412 . 1 1 1 A 39 39 GLU C C 39 178.851 179.133 -0.282 1
1 413 . 1 1 1 A 39 39 GLU CA C 39 59.257 59.304 -0.047 1
1 414 . 1 1 1 A 39 39 GLU CB C 39 29.806 29.234 0.572 1
1 416 . 1 1 1 A 39 39 GLU N N 39 119.614 119.006 0.608 1
1 417 . 1 1 1 A 40 40 LEU H H 40 8.251 8.248 0.003 1
1 418 . 1 1 1 A 40 40 LEU HA H 40 4.149 4.044 0.105 1
1 428 . 1 1 1 A 40 40 LEU C C 40 178.939 179.327 -0.388 1
1 429 . 1 1 1 A 40 40 LEU CA C 40 57.625 57.749 -0.124 1
1 430 . 1 1 1 A 40 40 LEU CB C 40 42.239 40.957 1.282 1
1 434 . 1 1 1 A 40 40 LEU N N 40 121.912 120.410 1.502 1
1 435 . 1 1 1 A 41 41 ALA H H 41 8.449 7.567 0.882 1
1 436 . 1 1 1 A 41 41 ALA HA H 41 3.629 4.067 -0.438 1
1 440 . 1 1 1 A 41 41 ALA C C 41 179.199 180.226 -1.027 1
1 441 . 1 1 1 A 41 41 ALA CA C 41 56.202 55.063 1.139 1
1 442 . 1 1 1 A 41 41 ALA CB C 41 17.819 18.239 -0.420 1
1 443 . 1 1 1 A 41 41 ALA N N 41 120.020 122.089 -2.069 1
1 444 . 1 1 1 A 42 42 ALA H H 42 7.800 8.302 -0.502 1
1 445 . 1 1 1 A 42 42 ALA HA H 42 4.240 4.196 0.044 1
1 449 . 1 1 1 A 42 42 ALA C C 42 181.146 179.089 2.057 1
1 450 . 1 1 1 A 42 42 ALA CA C 42 54.991 54.863 0.128 1
1 451 . 1 1 1 A 42 42 ALA CB C 42 17.983 18.604 -0.621 1
1 452 . 1 1 1 A 42 42 ALA N N 42 118.414 120.528 -2.114 1
1 453 . 1 1 1 A 43 43 SER H H 43 8.172 8.064 0.108 1
1 454 . 1 1 1 A 43 43 SER HA H 43 4.314 4.342 -0.028 1
1 457 . 1 1 1 A 43 43 SER C C 43 175.817 177.301 -1.484 1
1 458 . 1 1 1 A 43 43 SER CA C 43 61.138 61.376 -0.238 1
1 459 . 1 1 1 A 43 43 SER CB C 43 63.341 63.210 0.131 1
1 460 . 1 1 1 A 43 43 SER N N 43 113.508 113.942 -0.434 1
1 461 . 1 1 1 A 44 44 LEU H H 44 7.701 7.899 -0.198 1
1 462 . 1 1 1 A 44 44 LEU HA H 44 4.662 4.125 0.537 1
1 472 . 1 1 1 A 44 44 LEU C C 44 177.588 176.991 0.597 1
1 473 . 1 1 1 A 44 44 LEU CA C 44 54.556 55.409 -0.853 1
1 474 . 1 1 1 A 44 44 LEU CB C 44 44.134 42.335 1.799 1
1 478 . 1 1 1 A 44 44 LEU N N 44 117.384 119.489 -2.105 1
1 479 . 1 1 1 A 45 45 GLY H H 45 7.971 8.038 -0.067 1
1 480 . 1 1 1 A 45 45 GLY HA2 H 45 4.130 3.965 0.165 1
1 481 . 1 1 1 A 45 45 GLY HA3 H 45 3.991 3.996 -0.005 1
1 482 . 1 1 1 A 45 45 GLY C C 45 174.538 174.323 0.215 1
1 483 . 1 1 1 A 45 45 GLY CA C 45 46.623 45.699 0.924 1
1 484 . 1 1 1 A 45 45 GLY N N 45 110.156 106.589 3.567 1
1 485 . 1 1 1 A 46 46 LEU H H 46 8.012 8.007 0.005 1
1 486 . 1 1 1 A 46 46 LEU HA H 46 4.914 4.768 0.146 1
1 496 . 1 1 1 A 46 46 LEU C C 46 176.613 175.557 1.056 1
1 497 . 1 1 1 A 46 46 LEU CA C 46 52.652 53.550 -0.898 1
1 498 . 1 1 1 A 46 46 LEU CB C 46 46.882 42.797 4.085 1
1 502 . 1 1 1 A 46 46 LEU N N 46 119.755 121.500 -1.745 1
1 503 . 1 1 1 A 47 47 THR H H 47 8.846 8.364 0.482 1
1 504 . 1 1 1 A 47 47 THR HA H 47 4.681 4.847 -0.166 1
1 509 . 1 1 1 A 47 47 THR C C 47 176.869 175.391 1.478 1
1 510 . 1 1 1 A 47 47 THR CA C 47 60.326 59.504 0.822 1
1 511 . 1 1 1 A 47 47 THR CB C 47 70.720 70.890 -0.170 1
1 513 . 1 1 1 A 47 47 THR N N 47 109.908 114.080 -4.172 1
1 514 . 1 1 1 A 48 48 GLN H H 48 9.324 9.051 0.273 1
1 515 . 1 1 1 A 48 48 GLN HA H 48 3.708 3.963 -0.255 1
1 522 . 1 1 1 A 48 48 GLN C C 48 178.548 178.026 0.522 1
1 523 . 1 1 1 A 48 48 GLN CA C 48 60.839 59.223 1.616 1
1 524 . 1 1 1 A 48 48 GLN CB C 48 27.998 28.207 -0.209 1
1 526 . 1 1 1 A 48 48 GLN N N 48 120.589 127.075 -6.486 1
1 528 . 1 1 1 A 49 49 THR H H 49 8.172 7.844 0.328 1
1 529 . 1 1 1 A 49 49 THR HA H 49 3.908 4.055 -0.147 1
1 534 . 1 1 1 A 49 49 THR CA C 49 66.920 65.997 0.923 1
1 535 . 1 1 1 A 49 49 THR CB C 49 68.671 68.664 0.007 1
1 537 . 1 1 1 A 49 49 THR N N 49 115.925 117.605 -1.680 1
1 538 . 1 1 1 A 50 50 GLN H H 50 8.005 8.053 -0.048 1
1 539 . 1 1 1 A 50 50 GLN HA H 50 4.049 4.385 -0.336 1
1 546 . 1 1 1 A 50 50 GLN C C 50 180.191 178.268 1.923 1
1 547 . 1 1 1 A 50 50 GLN CA C 50 59.633 58.138 1.495 1
1 548 . 1 1 1 A 50 50 GLN CB C 50 28.965 29.552 -0.587 1
1 550 . 1 1 1 A 50 50 GLN N N 50 120.680 120.215 0.465 1
1 552 . 1 1 1 A 51 51 VAL H H 51 7.759 8.110 -0.351 1
1 553 . 1 1 1 A 51 51 VAL HA H 51 3.754 3.838 -0.084 1
1 561 . 1 1 1 A 51 51 VAL C C 51 176.534 178.337 -1.803 1
1 562 . 1 1 1 A 51 51 VAL CA C 51 67.618 66.406 1.212 1
1 563 . 1 1 1 A 51 51 VAL CB C 51 32.052 31.523 0.529 1
1 566 . 1 1 1 A 51 51 VAL N N 51 119.814 120.411 -0.597 1
1 567 . 1 1 1 A 52 52 LYS H H 52 8.504 7.762 0.742 1
1 568 . 1 1 1 A 52 52 LYS HA H 52 4.301 4.095 0.206 1
1 577 . 1 1 1 A 52 52 LYS C C 52 179.918 179.529 0.389 1
1 578 . 1 1 1 A 52 52 LYS CA C 52 60.046 59.205 0.841 1
1 579 . 1 1 1 A 52 52 LYS CB C 52 33.392 32.447 0.945 1
1 583 . 1 1 1 A 52 52 LYS N N 52 121.422 119.690 1.732 1
1 584 . 1 1 1 A 53 53 ILE H H 53 8.775 8.119 0.656 1
1 585 . 1 1 1 A 53 53 ILE HA H 53 3.866 3.821 0.045 1
1 595 . 1 1 1 A 53 53 ILE C C 53 177.447 178.653 -1.206 1
1 596 . 1 1 1 A 53 53 ILE CA C 53 64.285 64.451 -0.166 1
1 597 . 1 1 1 A 53 53 ILE CB C 53 38.066 36.778 1.288 1
1 601 . 1 1 1 A 53 53 ILE N N 53 119.411 119.658 -0.247 1
1 602 . 1 1 1 A 54 54 TRP H H 54 8.052 8.113 -0.061 1
1 603 . 1 1 1 A 54 54 TRP HA H 54 4.005 4.167 -0.162 1
1 612 . 1 1 1 A 54 54 TRP C C 54 179.712 178.399 1.313 1
1 613 . 1 1 1 A 54 54 TRP CA C 54 63.406 61.659 1.747 1
1 614 . 1 1 1 A 54 54 TRP CB C 54 28.935 29.229 -0.294 1
1 620 . 1 1 1 A 54 54 TRP N N 54 122.233 123.182 -0.949 1
1 622 . 1 1 1 A 55 55 PHE H H 55 8.720 8.338 0.382 1
1 623 . 1 1 1 A 55 55 PHE HA H 55 3.786 4.562 -0.776 1
1 631 . 1 1 1 A 55 55 PHE C C 55 177.753 178.136 -0.383 1
1 632 . 1 1 1 A 55 55 PHE CA C 55 63.194 61.967 1.227 1
1 633 . 1 1 1 A 55 55 PHE CB C 55 39.739 38.401 1.338 1
1 639 . 1 1 1 A 55 55 PHE N N 55 118.671 117.878 0.793 1
1 640 . 1 1 1 A 56 56 GLN H H 56 8.294 8.626 -0.332 1
1 641 . 1 1 1 A 56 56 GLN HA H 56 3.952 3.917 0.035 1
1 648 . 1 1 1 A 56 56 GLN C C 56 179.029 177.966 1.063 1
1 649 . 1 1 1 A 56 56 GLN CA C 56 59.414 58.614 0.800 1
1 650 . 1 1 1 A 56 56 GLN CB C 56 28.724 28.330 0.394 1
1 652 . 1 1 1 A 56 56 GLN N N 56 118.357 120.866 -2.509 1
1 654 . 1 1 1 A 57 57 ASN H H 57 8.580 8.243 0.337 1
1 655 . 1 1 1 A 57 57 ASN HA H 57 4.315 4.302 0.013 1
1 660 . 1 1 1 A 57 57 ASN C C 57 177.717 177.511 0.206 1
1 661 . 1 1 1 A 57 57 ASN CA C 57 55.541 56.425 -0.884 1
1 662 . 1 1 1 A 57 57 ASN CB C 57 37.796 37.880 -0.084 1
1 663 . 1 1 1 A 57 57 ASN N N 57 118.858 117.918 0.940 1
1 665 . 1 1 1 A 58 58 LYS H H 58 7.761 7.476 0.285 1
1 666 . 1 1 1 A 58 58 LYS HA H 58 3.416 3.512 -0.096 1
1 675 . 1 1 1 A 58 58 LYS C C 58 178.937 178.415 0.522 1
1 676 . 1 1 1 A 58 58 LYS CA C 58 57.292 59.538 -2.246 1
1 677 . 1 1 1 A 58 58 LYS CB C 58 30.746 31.725 -0.979 1
1 681 . 1 1 1 A 58 58 LYS N N 58 122.418 119.932 2.486 1
1 682 . 1 1 1 A 59 59 ARG H H 59 7.965 7.887 0.078 1
1 683 . 1 1 1 A 59 59 ARG HA H 59 4.078 4.155 -0.077 1
1 690 . 1 1 1 A 59 59 ARG C C 59 178.804 178.830 -0.026 1
1 691 . 1 1 1 A 59 59 ARG CA C 59 60.056 59.807 0.249 1
1 692 . 1 1 1 A 59 59 ARG CB C 59 31.573 29.828 1.745 1
1 695 . 1 1 1 A 59 59 ARG N N 59 116.992 118.331 -1.339 1
1 696 . 1 1 1 A 60 60 SER H H 60 7.733 8.098 -0.365 1
1 697 . 1 1 1 A 60 60 SER HA H 60 4.308 4.258 0.050 1
1 700 . 1 1 1 A 60 60 SER C C 60 175.262 175.412 -0.150 1
1 701 . 1 1 1 A 60 60 SER CA C 60 60.550 60.990 -0.440 1
1 702 . 1 1 1 A 60 60 SER CB C 60 63.304 63.054 0.250 1
1 703 . 1 1 1 A 60 60 SER N N 60 113.717 114.626 -0.909 1
1 704 . 1 1 1 A 61 61 LYS H H 61 7.622 7.545 0.077 1
1 705 . 1 1 1 A 61 61 LYS HA H 61 4.218 4.511 -0.293 1
1 714 . 1 1 1 A 61 61 LYS C C 61 177.402 175.559 1.843 1
1 715 . 1 1 1 A 61 61 LYS CA C 61 56.989 55.083 1.906 1
1 716 . 1 1 1 A 61 61 LYS CB C 61 32.486 31.893 0.593 1
1 720 . 1 1 1 A 61 61 LYS N N 61 121.107 116.919 4.188 1
1 721 . 1 1 1 A 62 62 ILE H H 62 7.632 7.269 0.363 1
1 722 . 1 1 1 A 62 62 ILE HA H 62 4.074 3.950 0.124 1
1 732 . 1 1 1 A 62 62 ILE C C 62 176.614 177.898 -1.284 1
1 733 . 1 1 1 A 62 62 ILE CA C 62 61.960 61.676 0.284 1
1 734 . 1 1 1 A 62 62 ILE CB C 62 38.231 37.015 1.216 1
1 738 . 1 1 1 A 62 62 ILE N N 62 119.268 120.593 -1.325 1
1 739 . 1 1 1 A 63 63 LYS H H 63 8.100 8.365 -0.265 1
1 740 . 1 1 1 A 63 63 LYS HA H 63 4.304 4.024 0.280 1
1 747 . 1 1 1 A 63 63 LYS C C 63 176.623 176.577 0.046 1
1 748 . 1 1 1 A 63 63 LYS CA C 63 56.672 59.108 -2.436 1
1 749 . 1 1 1 A 63 63 LYS CB C 63 32.898 31.871 1.027 1
1 753 . 1 1 1 A 63 63 LYS N N 63 124.673 126.857 -2.184 1
1 754 . 1 1 1 A 64 64 LYS H H 64 8.272 7.548 0.724 1
1 755 . 1 1 1 A 64 64 LYS C C 64 176.619 175.831 0.788 1
1 756 . 1 1 1 A 64 64 LYS CA C 64 56.531 56.483 0.048 1
1 757 . 1 1 1 A 64 64 LYS CB C 64 33.017 33.079 -0.062 1
1 758 . 1 1 1 A 64 64 LYS N N 64 122.722 121.622 1.100 1
1 759 . 1 1 1 A 65 65 SER HA H 65 4.533 4.886 -0.353 1
1 762 . 1 1 1 A 65 65 SER C C 65 174.501 174.123 0.378 1
1 763 . 1 1 1 A 65 65 SER CA C 65 58.364 58.043 0.321 1
1 764 . 1 1 1 A 65 65 SER CB C 65 64.210 63.865 0.345 1
1 765 . 1 1 1 A 66 66 GLY H H 66 8.264 8.327 -0.063 1
1 766 . 1 1 1 A 66 66 GLY C C 66 171.884 174.321 -2.437 1
1 767 . 1 1 1 A 66 66 GLY CA C 66 44.719 45.855 -1.136 1
1 768 . 1 1 1 A 66 66 GLY N N 66 110.727 113.478 -2.751 1
1 772 . 1 1 1 A 67 67 PRO CA C 67 63.385 64.525 -1.140 1
1 773 . 1 1 1 A 67 67 PRO CB C 67 32.419 31.542 0.877 1
1 1 . 2 1 1 A 8 8 ARG HA H 8 4.360 4.232 0.128 1
1 8 . 2 1 1 A 8 8 ARG C C 8 176.260 175.878 0.382 1
1 9 . 2 1 1 A 8 8 ARG CA C 8 55.966 56.330 -0.364 1
1 10 . 2 1 1 A 8 8 ARG CB C 8 30.838 30.642 0.196 1
1 13 . 2 1 1 A 9 9 LYS H H 9 8.400 8.783 -0.383 1
1 14 . 2 1 1 A 9 9 LYS C C 9 174.555 175.904 -1.349 1
1 15 . 2 1 1 A 9 9 LYS CA C 9 54.274 55.019 -0.745 1
1 16 . 2 1 1 A 9 9 LYS CB C 9 32.440 34.919 -2.479 1
1 17 . 2 1 1 A 9 9 LYS N N 9 124.470 118.472 5.998 1
1 18 . 2 1 1 A 10 10 PRO HA H 10 4.441 4.444 -0.003 1
1 25 . 2 1 1 A 10 10 PRO C C 10 176.789 176.586 0.203 1
1 26 . 2 1 1 A 10 10 PRO CA C 10 63.088 65.116 -2.028 1
1 27 . 2 1 1 A 10 10 PRO CB C 10 32.156 32.019 0.137 1
1 30 . 2 1 1 A 11 11 ARG H H 11 8.471 7.962 0.509 1
1 31 . 2 1 1 A 11 11 ARG HA H 11 4.370 4.848 -0.478 1
1 36 . 2 1 1 A 11 11 ARG C C 11 176.400 175.699 0.701 1
1 37 . 2 1 1 A 11 11 ARG CA C 11 56.439 54.489 1.950 1
1 38 . 2 1 1 A 11 11 ARG CB C 11 30.710 33.567 -2.857 1
1 40 . 2 1 1 A 11 11 ARG N N 11 121.881 118.017 3.864 1
1 41 . 2 1 1 A 12 12 THR HA H 12 4.270 4.478 -0.208 1
1 46 . 2 1 1 A 12 12 THR C C 12 173.737 176.217 -2.480 1
1 47 . 2 1 1 A 12 12 THR CA C 12 62.101 63.030 -0.929 1
1 48 . 2 1 1 A 12 12 THR CB C 12 69.896 69.448 0.448 1
1 50 . 2 1 1 A 13 13 ILE H H 13 8.215 8.698 -0.483 1
1 51 . 2 1 1 A 13 13 ILE HA H 13 4.063 3.827 0.236 1
1 61 . 2 1 1 A 13 13 ILE C C 13 175.361 175.767 -0.406 1
1 62 . 2 1 1 A 13 13 ILE CA C 13 61.109 63.699 -2.590 1
1 63 . 2 1 1 A 13 13 ILE CB C 13 38.748 38.157 0.591 1
1 67 . 2 1 1 A 13 13 ILE N N 13 124.648 123.693 0.955 1
1 68 . 2 1 1 A 14 14 TYR H H 14 7.928 7.809 0.119 1
1 69 . 2 1 1 A 14 14 TYR HA H 14 4.923 5.258 -0.335 1
1 76 . 2 1 1 A 14 14 TYR C C 14 176.009 175.026 0.983 1
1 77 . 2 1 1 A 14 14 TYR CA C 14 56.425 56.697 -0.272 1
1 78 . 2 1 1 A 14 14 TYR CB C 14 39.984 42.626 -2.642 1
1 83 . 2 1 1 A 14 14 TYR N N 14 122.287 119.961 2.326 1
1 84 . 2 1 1 A 15 15 SER H H 15 9.368 8.716 0.652 1
1 85 . 2 1 1 A 15 15 SER HA H 15 4.639 4.700 -0.061 1
1 88 . 2 1 1 A 15 15 SER C C 15 175.065 175.767 -0.702 1
1 89 . 2 1 1 A 15 15 SER CA C 15 56.918 58.235 -1.317 1
1 90 . 2 1 1 A 15 15 SER CB C 15 65.646 63.809 1.837 1
1 91 . 2 1 1 A 15 15 SER N N 15 119.482 118.277 1.205 1
1 92 . 2 1 1 A 16 16 SER HA H 16 4.181 4.139 0.042 1
1 95 . 2 1 1 A 16 16 SER CA C 16 62.192 61.861 0.331 1
1 96 . 2 1 1 A 16 16 SER CB C 16 62.188 62.539 -0.351 1
1 97 . 2 1 1 A 17 17 PHE H H 17 7.815 8.207 -0.392 1
1 98 . 2 1 1 A 17 17 PHE HA H 17 4.313 4.054 0.259 1
1 106 . 2 1 1 A 17 17 PHE C C 17 177.979 177.180 0.799 1
1 107 . 2 1 1 A 17 17 PHE CA C 17 60.981 61.578 -0.597 1
1 108 . 2 1 1 A 17 17 PHE CB C 17 39.519 39.464 0.055 1
1 114 . 2 1 1 A 17 17 PHE N N 17 119.320 123.205 -3.885 1
1 115 . 2 1 1 A 18 18 GLN H H 18 7.816 8.629 -0.813 1
1 116 . 2 1 1 A 18 18 GLN HA H 18 3.720 3.975 -0.255 1
1 123 . 2 1 1 A 18 18 GLN C C 18 177.456 178.692 -1.236 1
1 124 . 2 1 1 A 18 18 GLN CA C 18 58.902 58.928 -0.026 1
1 125 . 2 1 1 A 18 18 GLN CB C 18 28.118 28.225 -0.107 1
1 127 . 2 1 1 A 18 18 GLN N N 18 119.339 118.352 0.987 1
1 129 . 2 1 1 A 19 19 LEU H H 19 8.583 8.294 0.289 1
1 130 . 2 1 1 A 19 19 LEU HA H 19 3.570 3.718 -0.148 1
1 140 . 2 1 1 A 19 19 LEU C C 19 178.761 178.655 0.106 1
1 141 . 2 1 1 A 19 19 LEU CA C 19 57.837 57.978 -0.141 1
1 142 . 2 1 1 A 19 19 LEU CB C 19 41.883 42.119 -0.236 1
1 146 . 2 1 1 A 19 19 LEU N N 19 117.368 120.503 -3.135 1
1 147 . 2 1 1 A 20 20 ALA H H 20 7.918 8.733 -0.815 1
1 148 . 2 1 1 A 20 20 ALA HA H 20 4.019 3.986 0.033 1
1 152 . 2 1 1 A 20 20 ALA C C 20 180.256 179.795 0.461 1
1 153 . 2 1 1 A 20 20 ALA CA C 20 54.944 55.681 -0.737 1
1 154 . 2 1 1 A 20 20 ALA CB C 20 17.731 18.618 -0.887 1
1 155 . 2 1 1 A 20 20 ALA N N 20 120.010 120.907 -0.897 1
1 156 . 2 1 1 A 21 21 ALA H H 21 7.313 7.464 -0.151 1
1 157 . 2 1 1 A 21 21 ALA HA H 21 3.945 4.028 -0.083 1
1 161 . 2 1 1 A 21 21 ALA C C 21 181.088 179.400 1.688 1
1 162 . 2 1 1 A 21 21 ALA CA C 21 54.749 54.861 -0.112 1
1 163 . 2 1 1 A 21 21 ALA CB C 21 19.723 18.224 1.499 1
1 164 . 2 1 1 A 21 21 ALA N N 21 120.493 120.233 0.260 1
1 165 . 2 1 1 A 22 22 LEU H H 22 8.049 8.111 -0.062 1
1 166 . 2 1 1 A 22 22 LEU HA H 22 3.507 3.710 -0.203 1
1 176 . 2 1 1 A 22 22 LEU C C 22 177.768 178.686 -0.918 1
1 177 . 2 1 1 A 22 22 LEU CA C 22 58.418 57.733 0.685 1
1 178 . 2 1 1 A 22 22 LEU CB C 22 38.280 41.121 -2.841 1
1 182 . 2 1 1 A 22 22 LEU N N 22 121.618 118.838 2.780 1
1 183 . 2 1 1 A 23 23 GLN H H 23 8.047 8.251 -0.204 1
1 184 . 2 1 1 A 23 23 GLN HA H 23 4.042 4.057 -0.015 1
1 191 . 2 1 1 A 23 23 GLN C C 23 178.945 178.904 0.041 1
1 192 . 2 1 1 A 23 23 GLN CA C 23 59.172 59.382 -0.210 1
1 193 . 2 1 1 A 23 23 GLN CB C 23 28.225 28.409 -0.184 1
1 195 . 2 1 1 A 23 23 GLN N N 23 117.012 117.130 -0.118 1
1 197 . 2 1 1 A 24 24 ARG H H 24 7.956 7.909 0.047 1
1 198 . 2 1 1 A 24 24 ARG HA H 24 4.098 4.015 0.083 1
1 205 . 2 1 1 A 24 24 ARG C C 24 179.440 178.278 1.162 1
1 206 . 2 1 1 A 24 24 ARG CA C 24 59.443 59.011 0.432 1
1 207 . 2 1 1 A 24 24 ARG CB C 24 30.290 29.839 0.451 1
1 210 . 2 1 1 A 24 24 ARG N N 24 118.511 120.227 -1.716 1
1 211 . 2 1 1 A 25 25 ARG H H 25 7.768 7.746 0.022 1
1 212 . 2 1 1 A 25 25 ARG HA H 25 4.380 4.159 0.221 1
1 219 . 2 1 1 A 25 25 ARG C C 25 177.933 178.964 -1.031 1
1 220 . 2 1 1 A 25 25 ARG CA C 25 56.993 58.481 -1.488 1
1 221 . 2 1 1 A 25 25 ARG CB C 25 28.118 30.076 -1.958 1
1 224 . 2 1 1 A 25 25 ARG N N 25 119.018 119.027 -0.009 1
1 225 . 2 1 1 A 26 26 PHE H H 26 8.739 8.479 0.260 1
1 226 . 2 1 1 A 26 26 PHE HA H 26 4.680 4.286 0.394 1
1 234 . 2 1 1 A 26 26 PHE C C 26 175.842 177.995 -2.153 1
1 235 . 2 1 1 A 26 26 PHE CA C 26 60.339 61.422 -1.083 1
1 236 . 2 1 1 A 26 26 PHE CB C 26 39.477 39.078 0.399 1
1 242 . 2 1 1 A 26 26 PHE N N 26 121.838 120.566 1.272 1
1 243 . 2 1 1 A 27 27 GLN H H 27 7.712 8.806 -1.094 1
1 244 . 2 1 1 A 27 27 GLN HA H 27 3.979 3.836 0.143 1
1 251 . 2 1 1 A 27 27 GLN C C 27 177.336 178.247 -0.911 1
1 252 . 2 1 1 A 27 27 GLN CA C 27 57.877 58.424 -0.547 1
1 253 . 2 1 1 A 27 27 GLN CB C 27 28.809 28.193 0.616 1
1 255 . 2 1 1 A 27 27 GLN N N 27 113.533 117.162 -3.629 1
1 257 . 2 1 1 A 28 28 LYS H H 28 7.469 7.709 -0.240 1
1 258 . 2 1 1 A 28 28 LYS HA H 28 4.316 4.112 0.204 1
1 267 . 2 1 1 A 28 28 LYS C C 28 177.011 175.944 1.067 1
1 268 . 2 1 1 A 28 28 LYS CA C 28 57.805 58.572 -0.767 1
1 269 . 2 1 1 A 28 28 LYS CB C 28 33.639 33.761 -0.122 1
1 273 . 2 1 1 A 28 28 LYS N N 28 117.851 120.096 -2.245 1
1 274 . 2 1 1 A 29 29 THR H H 29 8.373 7.638 0.735 1
1 275 . 2 1 1 A 29 29 THR HA H 29 4.457 4.623 -0.166 1
1 280 . 2 1 1 A 29 29 THR C C 29 171.650 174.183 -2.533 1
1 281 . 2 1 1 A 29 29 THR CA C 29 59.598 60.267 -0.669 1
1 282 . 2 1 1 A 29 29 THR CB C 29 70.546 71.160 -0.614 1
1 284 . 2 1 1 A 29 29 THR N N 29 113.944 111.835 2.109 1
1 285 . 2 1 1 A 30 30 GLN H H 30 8.210 8.473 -0.263 1
1 286 . 2 1 1 A 30 30 GLN HA H 30 3.863 4.378 -0.515 1
1 293 . 2 1 1 A 30 30 GLN C C 30 174.111 176.137 -2.026 1
1 294 . 2 1 1 A 30 30 GLN CA C 30 56.868 58.584 -1.716 1
1 295 . 2 1 1 A 30 30 GLN CB C 30 27.841 29.629 -1.788 1
1 297 . 2 1 1 A 30 30 GLN N N 30 121.138 125.629 -4.491 1
1 299 . 2 1 1 A 31 31 TYR H H 31 7.532 8.102 -0.570 1
1 300 . 2 1 1 A 31 31 TYR HA H 31 4.700 5.280 -0.580 1
1 307 . 2 1 1 A 31 31 TYR C C 31 174.485 174.302 0.183 1
1 308 . 2 1 1 A 31 31 TYR CA C 31 56.954 56.593 0.361 1
1 309 . 2 1 1 A 31 31 TYR CB C 31 41.374 41.045 0.329 1
1 314 . 2 1 1 A 31 31 TYR N N 31 114.987 116.685 -1.698 1
1 315 . 2 1 1 A 32 32 LEU H H 32 8.382 8.883 -0.501 1
1 316 . 2 1 1 A 32 32 LEU HA H 32 4.486 4.935 -0.449 1
1 326 . 2 1 1 A 32 32 LEU C C 32 176.526 176.461 0.065 1
1 327 . 2 1 1 A 32 32 LEU CA C 32 53.216 53.120 0.096 1
1 328 . 2 1 1 A 32 32 LEU CB C 32 44.134 43.291 0.843 1
1 332 . 2 1 1 A 32 32 LEU N N 32 123.429 124.664 -1.235 1
1 333 . 2 1 1 A 33 33 ALA H H 33 8.805 8.750 0.055 1
1 334 . 2 1 1 A 33 33 ALA HA H 33 4.469 4.397 0.072 1
1 338 . 2 1 1 A 33 33 ALA C C 33 178.230 177.636 0.594 1
1 339 . 2 1 1 A 33 33 ALA CA C 33 51.183 52.260 -1.077 1
1 340 . 2 1 1 A 33 33 ALA CB C 33 19.852 20.387 -0.535 1
1 341 . 2 1 1 A 33 33 ALA N N 33 126.131 127.470 -1.339 1
1 342 . 2 1 1 A 34 34 LEU H H 34 8.898 8.707 0.191 1
1 343 . 2 1 1 A 34 34 LEU HA H 34 4.088 4.040 0.048 1
1 353 . 2 1 1 A 34 34 LEU C C 34 178.245 175.483 2.762 1
1 354 . 2 1 1 A 34 34 LEU CA C 34 60.712 59.538 1.174 1
1 355 . 2 1 1 A 34 34 LEU CB C 34 39.135 40.636 -1.501 1
1 359 . 2 1 1 A 34 34 LEU N N 34 122.061 120.656 1.405 1
1 360 . 2 1 1 A 35 35 PRO HA H 35 4.378 4.327 0.051 1
1 367 . 2 1 1 A 35 35 PRO C C 35 179.888 179.167 0.721 1
1 368 . 2 1 1 A 35 35 PRO CA C 35 65.894 65.409 0.485 1
1 369 . 2 1 1 A 35 35 PRO CB C 35 30.618 30.676 -0.058 1
1 372 . 2 1 1 A 36 36 GLU H H 36 6.984 8.473 -1.489 1
1 373 . 2 1 1 A 36 36 GLU HA H 36 4.192 4.033 0.159 1
1 378 . 2 1 1 A 36 36 GLU C C 36 179.230 179.473 -0.243 1
1 379 . 2 1 1 A 36 36 GLU CA C 36 58.631 59.950 -1.319 1
1 380 . 2 1 1 A 36 36 GLU CB C 36 30.290 28.887 1.403 1
1 382 . 2 1 1 A 36 36 GLU N N 36 116.910 118.034 -1.124 1
1 383 . 2 1 1 A 37 37 ARG H H 37 8.489 8.205 0.284 1
1 384 . 2 1 1 A 37 37 ARG HA H 37 3.741 3.951 -0.210 1
1 391 . 2 1 1 A 37 37 ARG C C 37 177.835 178.144 -0.309 1
1 392 . 2 1 1 A 37 37 ARG CA C 37 60.076 58.659 1.417 1
1 393 . 2 1 1 A 37 37 ARG CB C 37 30.775 29.448 1.327 1
1 396 . 2 1 1 A 37 37 ARG N N 37 121.545 120.481 1.064 1
1 397 . 2 1 1 A 38 38 ALA H H 38 8.308 7.739 0.569 1
1 398 . 2 1 1 A 38 38 ALA HA H 38 3.941 4.014 -0.073 1
1 402 . 2 1 1 A 38 38 ALA C C 38 180.311 180.155 0.156 1
1 403 . 2 1 1 A 38 38 ALA CA C 38 55.446 55.189 0.257 1
1 404 . 2 1 1 A 38 38 ALA CB C 38 18.082 17.973 0.109 1
1 405 . 2 1 1 A 38 38 ALA N N 38 120.571 121.640 -1.069 1
1 406 . 2 1 1 A 39 39 GLU H H 39 7.819 8.023 -0.204 1
1 407 . 2 1 1 A 39 39 GLU HA H 39 4.125 3.974 0.151 1
1 412 . 2 1 1 A 39 39 GLU C C 39 178.851 179.285 -0.434 1
1 413 . 2 1 1 A 39 39 GLU CA C 39 59.257 59.489 -0.232 1
1 414 . 2 1 1 A 39 39 GLU CB C 39 29.806 29.427 0.379 1
1 416 . 2 1 1 A 39 39 GLU N N 39 119.614 118.505 1.109 1
1 417 . 2 1 1 A 40 40 LEU H H 40 8.251 8.249 0.002 1
1 418 . 2 1 1 A 40 40 LEU HA H 40 4.149 4.017 0.132 1
1 428 . 2 1 1 A 40 40 LEU C C 40 178.939 179.447 -0.508 1
1 429 . 2 1 1 A 40 40 LEU CA C 40 57.625 57.863 -0.238 1
1 430 . 2 1 1 A 40 40 LEU CB C 40 42.239 41.662 0.577 1
1 434 . 2 1 1 A 40 40 LEU N N 40 121.912 120.421 1.491 1
1 435 . 2 1 1 A 41 41 ALA H H 41 8.449 7.941 0.508 1
1 436 . 2 1 1 A 41 41 ALA HA H 41 3.629 4.112 -0.483 1
1 440 . 2 1 1 A 41 41 ALA C C 41 179.199 179.441 -0.242 1
1 441 . 2 1 1 A 41 41 ALA CA C 41 56.202 54.682 1.520 1
1 442 . 2 1 1 A 41 41 ALA CB C 41 17.819 18.034 -0.215 1
1 443 . 2 1 1 A 41 41 ALA N N 41 120.020 122.157 -2.137 1
1 444 . 2 1 1 A 42 42 ALA H H 42 7.800 7.965 -0.165 1
1 445 . 2 1 1 A 42 42 ALA HA H 42 4.240 4.222 0.018 1
1 449 . 2 1 1 A 42 42 ALA C C 42 181.146 179.464 1.682 1
1 450 . 2 1 1 A 42 42 ALA CA C 42 54.991 55.057 -0.066 1
1 451 . 2 1 1 A 42 42 ALA CB C 42 17.983 18.743 -0.760 1
1 452 . 2 1 1 A 42 42 ALA N N 42 118.414 120.197 -1.783 1
1 453 . 2 1 1 A 43 43 SER H H 43 8.172 8.420 -0.248 1
1 454 . 2 1 1 A 43 43 SER HA H 43 4.314 4.222 0.092 1
1 457 . 2 1 1 A 43 43 SER C C 43 175.817 176.382 -0.565 1
1 458 . 2 1 1 A 43 43 SER CA C 43 61.138 62.737 -1.599 1
1 459 . 2 1 1 A 43 43 SER CB C 43 63.341 63.231 0.110 1
1 460 . 2 1 1 A 43 43 SER N N 43 113.508 114.142 -0.634 1
1 461 . 2 1 1 A 44 44 LEU H H 44 7.701 7.779 -0.078 1
1 462 . 2 1 1 A 44 44 LEU HA H 44 4.662 4.503 0.159 1
1 472 . 2 1 1 A 44 44 LEU C C 44 177.588 177.001 0.587 1
1 473 . 2 1 1 A 44 44 LEU CA C 44 54.556 55.507 -0.951 1
1 474 . 2 1 1 A 44 44 LEU CB C 44 44.134 42.500 1.634 1
1 478 . 2 1 1 A 44 44 LEU N N 44 117.384 119.022 -1.638 1
1 479 . 2 1 1 A 45 45 GLY H H 45 7.971 8.065 -0.094 1
1 480 . 2 1 1 A 45 45 GLY HA2 H 45 4.130 3.925 0.205 1
1 481 . 2 1 1 A 45 45 GLY HA3 H 45 3.991 3.931 0.060 1
1 482 . 2 1 1 A 45 45 GLY C C 45 174.538 174.325 0.213 1
1 483 . 2 1 1 A 45 45 GLY CA C 45 46.623 46.061 0.562 1
1 484 . 2 1 1 A 45 45 GLY N N 45 110.156 107.510 2.646 1
1 485 . 2 1 1 A 46 46 LEU H H 46 8.012 7.982 0.030 1
1 486 . 2 1 1 A 46 46 LEU HA H 46 4.914 4.780 0.134 1
1 496 . 2 1 1 A 46 46 LEU C C 46 176.613 175.679 0.934 1
1 497 . 2 1 1 A 46 46 LEU CA C 46 52.652 53.549 -0.897 1
1 498 . 2 1 1 A 46 46 LEU CB C 46 46.882 42.833 4.049 1
1 502 . 2 1 1 A 46 46 LEU N N 46 119.755 121.515 -1.760 1
1 503 . 2 1 1 A 47 47 THR H H 47 8.846 8.376 0.470 1
1 504 . 2 1 1 A 47 47 THR HA H 47 4.681 4.849 -0.168 1
1 509 . 2 1 1 A 47 47 THR C C 47 176.869 175.480 1.389 1
1 510 . 2 1 1 A 47 47 THR CA C 47 60.326 59.386 0.940 1
1 511 . 2 1 1 A 47 47 THR CB C 47 70.720 70.673 0.047 1
1 513 . 2 1 1 A 47 47 THR N N 47 109.908 114.127 -4.219 1
1 514 . 2 1 1 A 48 48 GLN H H 48 9.324 9.149 0.175 1
1 515 . 2 1 1 A 48 48 GLN HA H 48 3.708 3.939 -0.231 1
1 522 . 2 1 1 A 48 48 GLN C C 48 178.548 177.723 0.825 1
1 523 . 2 1 1 A 48 48 GLN CA C 48 60.839 59.709 1.130 1
1 524 . 2 1 1 A 48 48 GLN CB C 48 27.998 28.244 -0.246 1
1 526 . 2 1 1 A 48 48 GLN N N 48 120.589 127.459 -6.870 1
1 528 . 2 1 1 A 49 49 THR H H 49 8.172 8.165 0.007 1
1 529 . 2 1 1 A 49 49 THR HA H 49 3.908 4.006 -0.098 1
1 534 . 2 1 1 A 49 49 THR CA C 49 66.920 66.008 0.912 1
1 535 . 2 1 1 A 49 49 THR CB C 49 68.671 68.344 0.327 1
1 537 . 2 1 1 A 49 49 THR N N 49 115.925 117.939 -2.014 1
1 538 . 2 1 1 A 50 50 GLN H H 50 8.005 8.317 -0.312 1
1 539 . 2 1 1 A 50 50 GLN HA H 50 4.049 4.353 -0.304 1
1 546 . 2 1 1 A 50 50 GLN C C 50 180.191 178.156 2.035 1
1 547 . 2 1 1 A 50 50 GLN CA C 50 59.633 58.454 1.179 1
1 548 . 2 1 1 A 50 50 GLN CB C 50 28.965 29.460 -0.495 1
1 550 . 2 1 1 A 50 50 GLN N N 50 120.680 120.223 0.457 1
1 552 . 2 1 1 A 51 51 VAL H H 51 7.759 8.291 -0.532 1
1 553 . 2 1 1 A 51 51 VAL HA H 51 3.754 3.810 -0.056 1
1 561 . 2 1 1 A 51 51 VAL C C 51 176.534 178.416 -1.882 1
1 562 . 2 1 1 A 51 51 VAL CA C 51 67.618 66.585 1.033 1
1 563 . 2 1 1 A 51 51 VAL CB C 51 32.052 31.543 0.509 1
1 566 . 2 1 1 A 51 51 VAL N N 51 119.814 120.369 -0.555 1
1 567 . 2 1 1 A 52 52 LYS H H 52 8.504 8.226 0.278 1
1 568 . 2 1 1 A 52 52 LYS HA H 52 4.301 4.058 0.243 1
1 577 . 2 1 1 A 52 52 LYS C C 52 179.918 179.720 0.198 1
1 578 . 2 1 1 A 52 52 LYS CA C 52 60.046 59.322 0.724 1
1 579 . 2 1 1 A 52 52 LYS CB C 52 33.392 32.412 0.980 1
1 583 . 2 1 1 A 52 52 LYS N N 52 121.422 119.344 2.078 1
1 584 . 2 1 1 A 53 53 ILE H H 53 8.775 8.067 0.708 1
1 585 . 2 1 1 A 53 53 ILE HA H 53 3.866 3.694 0.172 1
1 595 . 2 1 1 A 53 53 ILE C C 53 177.447 178.384 -0.937 1
1 596 . 2 1 1 A 53 53 ILE CA C 53 64.285 65.177 -0.892 1
1 597 . 2 1 1 A 53 53 ILE CB C 53 38.066 37.721 0.345 1
1 601 . 2 1 1 A 53 53 ILE N N 53 119.411 119.602 -0.191 1
1 602 . 2 1 1 A 54 54 TRP H H 54 8.052 8.270 -0.218 1
1 603 . 2 1 1 A 54 54 TRP HA H 54 4.005 4.144 -0.139 1
1 612 . 2 1 1 A 54 54 TRP C C 54 179.712 178.178 1.534 1
1 613 . 2 1 1 A 54 54 TRP CA C 54 63.406 61.283 2.123 1
1 614 . 2 1 1 A 54 54 TRP CB C 54 28.935 29.227 -0.292 1
1 620 . 2 1 1 A 54 54 TRP N N 54 122.233 121.861 0.372 1
1 622 . 2 1 1 A 55 55 PHE H H 55 8.720 8.004 0.716 1
1 623 . 2 1 1 A 55 55 PHE HA H 55 3.786 4.146 -0.360 1
1 631 . 2 1 1 A 55 55 PHE C C 55 177.753 177.879 -0.126 1
1 632 . 2 1 1 A 55 55 PHE CA C 55 63.194 61.537 1.657 1
1 633 . 2 1 1 A 55 55 PHE CB C 55 39.739 38.643 1.096 1
1 639 . 2 1 1 A 55 55 PHE N N 55 118.671 117.542 1.129 1
1 640 . 2 1 1 A 56 56 GLN H H 56 8.294 8.439 -0.145 1
1 641 . 2 1 1 A 56 56 GLN HA H 56 3.952 3.881 0.071 1
1 648 . 2 1 1 A 56 56 GLN C C 56 179.029 178.093 0.936 1
1 649 . 2 1 1 A 56 56 GLN CA C 56 59.414 58.574 0.840 1
1 650 . 2 1 1 A 56 56 GLN CB C 56 28.724 28.784 -0.060 1
1 652 . 2 1 1 A 56 56 GLN N N 56 118.357 120.880 -2.523 1
1 654 . 2 1 1 A 57 57 ASN H H 57 8.580 8.368 0.212 1
1 655 . 2 1 1 A 57 57 ASN HA H 57 4.315 4.322 -0.007 1
1 660 . 2 1 1 A 57 57 ASN C C 57 177.717 177.351 0.366 1
1 661 . 2 1 1 A 57 57 ASN CA C 57 55.541 56.194 -0.653 1
1 662 . 2 1 1 A 57 57 ASN CB C 57 37.796 38.175 -0.379 1
1 663 . 2 1 1 A 57 57 ASN N N 57 118.858 118.289 0.569 1
1 665 . 2 1 1 A 58 58 LYS H H 58 7.761 7.246 0.515 1
1 666 . 2 1 1 A 58 58 LYS HA H 58 3.416 3.580 -0.164 1
1 675 . 2 1 1 A 58 58 LYS C C 58 178.937 178.453 0.484 1
1 676 . 2 1 1 A 58 58 LYS CA C 58 57.292 59.834 -2.542 1
1 677 . 2 1 1 A 58 58 LYS CB C 58 30.746 31.676 -0.930 1
1 681 . 2 1 1 A 58 58 LYS N N 58 122.418 118.832 3.586 1
1 682 . 2 1 1 A 59 59 ARG H H 59 7.965 7.890 0.075 1
1 683 . 2 1 1 A 59 59 ARG HA H 59 4.078 4.206 -0.128 1
1 690 . 2 1 1 A 59 59 ARG C C 59 178.804 179.135 -0.331 1
1 691 . 2 1 1 A 59 59 ARG CA C 59 60.056 59.979 0.077 1
1 692 . 2 1 1 A 59 59 ARG CB C 59 31.573 29.985 1.588 1
1 695 . 2 1 1 A 59 59 ARG N N 59 116.992 118.349 -1.357 1
1 696 . 2 1 1 A 60 60 SER H H 60 7.733 8.238 -0.505 1
1 697 . 2 1 1 A 60 60 SER HA H 60 4.308 4.220 0.088 1
1 700 . 2 1 1 A 60 60 SER C C 60 175.262 176.423 -1.161 1
1 701 . 2 1 1 A 60 60 SER CA C 60 60.550 61.167 -0.617 1
1 702 . 2 1 1 A 60 60 SER CB C 60 63.304 62.849 0.455 1
1 703 . 2 1 1 A 60 60 SER N N 60 113.717 115.057 -1.340 1
1 704 . 2 1 1 A 61 61 LYS H H 61 7.622 7.975 -0.353 1
1 705 . 2 1 1 A 61 61 LYS HA H 61 4.218 4.289 -0.071 1
1 714 . 2 1 1 A 61 61 LYS C C 61 177.402 176.640 0.762 1
1 715 . 2 1 1 A 61 61 LYS CA C 61 56.989 57.115 -0.126 1
1 716 . 2 1 1 A 61 61 LYS CB C 61 32.486 32.331 0.155 1
1 720 . 2 1 1 A 61 61 LYS N N 61 121.107 118.109 2.998 1
1 721 . 2 1 1 A 62 62 ILE H H 62 7.632 7.336 0.296 1
1 722 . 2 1 1 A 62 62 ILE HA H 62 4.074 4.275 -0.201 1
1 732 . 2 1 1 A 62 62 ILE C C 62 176.614 176.723 -0.109 1
1 733 . 2 1 1 A 62 62 ILE CA C 62 61.960 60.386 1.574 1
1 734 . 2 1 1 A 62 62 ILE CB C 62 38.231 37.550 0.681 1
1 738 . 2 1 1 A 62 62 ILE N N 62 119.268 120.806 -1.538 1
1 739 . 2 1 1 A 63 63 LYS H H 63 8.100 8.883 -0.783 1
1 740 . 2 1 1 A 63 63 LYS HA H 63 4.304 3.935 0.369 1
1 747 . 2 1 1 A 63 63 LYS C C 63 176.623 175.922 0.701 1
1 748 . 2 1 1 A 63 63 LYS CA C 63 56.672 57.315 -0.643 1
1 749 . 2 1 1 A 63 63 LYS CB C 63 32.898 31.052 1.846 1
1 753 . 2 1 1 A 63 63 LYS N N 63 124.673 126.298 -1.625 1
1 754 . 2 1 1 A 64 64 LYS H H 64 8.272 7.740 0.532 1
1 755 . 2 1 1 A 64 64 LYS C C 64 176.619 175.899 0.720 1
1 756 . 2 1 1 A 64 64 LYS CA C 64 56.531 55.684 0.847 1
1 757 . 2 1 1 A 64 64 LYS CB C 64 33.017 34.068 -1.051 1
1 758 . 2 1 1 A 64 64 LYS N N 64 122.722 121.121 1.601 1
1 759 . 2 1 1 A 65 65 SER HA H 65 4.533 4.343 0.190 1
1 762 . 2 1 1 A 65 65 SER C C 65 174.501 174.955 -0.454 1
1 763 . 2 1 1 A 65 65 SER CA C 65 58.364 59.670 -1.306 1
1 764 . 2 1 1 A 65 65 SER CB C 65 64.210 62.596 1.614 1
1 765 . 2 1 1 A 66 66 GLY H H 66 8.264 8.627 -0.363 1
1 766 . 2 1 1 A 66 66 GLY C C 66 171.884 174.630 -2.746 1
1 767 . 2 1 1 A 66 66 GLY CA C 66 44.719 45.394 -0.675 1
1 768 . 2 1 1 A 66 66 GLY N N 66 110.727 112.912 -2.185 1
1 772 . 2 1 1 A 67 67 PRO CA C 67 63.385 64.948 -1.563 1
1 773 . 2 1 1 A 67 67 PRO CB C 67 32.419 31.906 0.513 1
1 1 . 3 1 1 A 8 8 ARG HA H 8 4.360 4.464 -0.104 1
1 8 . 3 1 1 A 8 8 ARG C C 8 176.260 175.884 0.376 1
1 9 . 3 1 1 A 8 8 ARG CA C 8 55.966 55.582 0.384 1
1 10 . 3 1 1 A 8 8 ARG CB C 8 30.838 29.828 1.010 1
1 13 . 3 1 1 A 9 9 LYS H H 9 8.400 7.628 0.772 1
1 14 . 3 1 1 A 9 9 LYS C C 9 174.555 175.834 -1.279 1
1 15 . 3 1 1 A 9 9 LYS CA C 9 54.274 53.294 0.980 1
1 16 . 3 1 1 A 9 9 LYS CB C 9 32.440 34.431 -1.991 1
1 17 . 3 1 1 A 9 9 LYS N N 9 124.470 116.243 8.227 1
1 18 . 3 1 1 A 10 10 PRO HA H 10 4.441 4.492 -0.051 1
1 25 . 3 1 1 A 10 10 PRO C C 10 176.789 177.438 -0.649 1
1 26 . 3 1 1 A 10 10 PRO CA C 10 63.088 63.883 -0.795 1
1 27 . 3 1 1 A 10 10 PRO CB C 10 32.156 31.864 0.292 1
1 30 . 3 1 1 A 11 11 ARG H H 11 8.471 8.113 0.358 1
1 31 . 3 1 1 A 11 11 ARG HA H 11 4.370 3.970 0.400 1
1 36 . 3 1 1 A 11 11 ARG C C 11 176.400 174.686 1.714 1
1 37 . 3 1 1 A 11 11 ARG CA C 11 56.439 57.085 -0.646 1
1 38 . 3 1 1 A 11 11 ARG CB C 11 30.710 28.944 1.766 1
1 40 . 3 1 1 A 11 11 ARG N N 11 121.881 118.124 3.757 1
1 41 . 3 1 1 A 12 12 THR HA H 12 4.270 4.842 -0.572 1
1 46 . 3 1 1 A 12 12 THR C C 12 173.737 174.813 -1.076 1
1 47 . 3 1 1 A 12 12 THR CA C 12 62.101 60.864 1.237 1
1 48 . 3 1 1 A 12 12 THR CB C 12 69.896 72.653 -2.757 1
1 50 . 3 1 1 A 13 13 ILE H H 13 8.215 8.303 -0.088 1
1 51 . 3 1 1 A 13 13 ILE HA H 13 4.063 3.875 0.188 1
1 61 . 3 1 1 A 13 13 ILE C C 13 175.361 175.675 -0.314 1
1 62 . 3 1 1 A 13 13 ILE CA C 13 61.109 63.535 -2.426 1
1 63 . 3 1 1 A 13 13 ILE CB C 13 38.748 38.163 0.585 1
1 67 . 3 1 1 A 13 13 ILE N N 13 124.648 123.752 0.896 1
1 68 . 3 1 1 A 14 14 TYR H H 14 7.928 7.769 0.159 1
1 69 . 3 1 1 A 14 14 TYR HA H 14 4.923 5.252 -0.329 1
1 76 . 3 1 1 A 14 14 TYR C C 14 176.009 174.994 1.015 1
1 77 . 3 1 1 A 14 14 TYR CA C 14 56.425 56.779 -0.354 1
1 78 . 3 1 1 A 14 14 TYR CB C 14 39.984 42.622 -2.638 1
1 83 . 3 1 1 A 14 14 TYR N N 14 122.287 120.095 2.192 1
1 84 . 3 1 1 A 15 15 SER H H 15 9.368 8.186 1.182 1
1 85 . 3 1 1 A 15 15 SER HA H 15 4.639 4.663 -0.024 1
1 88 . 3 1 1 A 15 15 SER C C 15 175.065 175.715 -0.650 1
1 89 . 3 1 1 A 15 15 SER CA C 15 56.918 58.573 -1.655 1
1 90 . 3 1 1 A 15 15 SER CB C 15 65.646 63.718 1.928 1
1 91 . 3 1 1 A 15 15 SER N N 15 119.482 118.321 1.161 1
1 92 . 3 1 1 A 16 16 SER HA H 16 4.181 4.098 0.083 1
1 95 . 3 1 1 A 16 16 SER CA C 16 62.192 61.884 0.308 1
1 96 . 3 1 1 A 16 16 SER CB C 16 62.188 62.441 -0.253 1
1 97 . 3 1 1 A 17 17 PHE H H 17 7.815 8.075 -0.260 1
1 98 . 3 1 1 A 17 17 PHE HA H 17 4.313 4.153 0.160 1
1 106 . 3 1 1 A 17 17 PHE C C 17 177.979 178.072 -0.093 1
1 107 . 3 1 1 A 17 17 PHE CA C 17 60.981 61.674 -0.693 1
1 108 . 3 1 1 A 17 17 PHE CB C 17 39.519 39.204 0.315 1
1 114 . 3 1 1 A 17 17 PHE N N 17 119.320 123.729 -4.409 1
1 115 . 3 1 1 A 18 18 GLN H H 18 7.816 8.158 -0.342 1
1 116 . 3 1 1 A 18 18 GLN HA H 18 3.720 3.689 0.031 1
1 123 . 3 1 1 A 18 18 GLN C C 18 177.456 178.861 -1.405 1
1 124 . 3 1 1 A 18 18 GLN CA C 18 58.902 58.619 0.283 1
1 125 . 3 1 1 A 18 18 GLN CB C 18 28.118 28.174 -0.056 1
1 127 . 3 1 1 A 18 18 GLN N N 18 119.339 118.434 0.905 1
1 129 . 3 1 1 A 19 19 LEU H H 19 8.583 8.302 0.281 1
1 130 . 3 1 1 A 19 19 LEU HA H 19 3.570 3.776 -0.206 1
1 140 . 3 1 1 A 19 19 LEU C C 19 178.761 178.555 0.206 1
1 141 . 3 1 1 A 19 19 LEU CA C 19 57.837 57.708 0.129 1
1 142 . 3 1 1 A 19 19 LEU CB C 19 41.883 41.789 0.094 1
1 146 . 3 1 1 A 19 19 LEU N N 19 117.368 120.710 -3.342 1
1 147 . 3 1 1 A 20 20 ALA H H 20 7.918 8.654 -0.736 1
1 148 . 3 1 1 A 20 20 ALA HA H 20 4.019 3.950 0.069 1
1 152 . 3 1 1 A 20 20 ALA C C 20 180.256 179.380 0.876 1
1 153 . 3 1 1 A 20 20 ALA CA C 20 54.944 55.550 -0.606 1
1 154 . 3 1 1 A 20 20 ALA CB C 20 17.731 18.606 -0.875 1
1 155 . 3 1 1 A 20 20 ALA N N 20 120.010 121.036 -1.026 1
1 156 . 3 1 1 A 21 21 ALA H H 21 7.313 7.209 0.104 1
1 157 . 3 1 1 A 21 21 ALA HA H 21 3.945 4.025 -0.080 1
1 161 . 3 1 1 A 21 21 ALA C C 21 181.088 179.404 1.684 1
1 162 . 3 1 1 A 21 21 ALA CA C 21 54.749 54.837 -0.088 1
1 163 . 3 1 1 A 21 21 ALA CB C 21 19.723 18.304 1.419 1
1 164 . 3 1 1 A 21 21 ALA N N 21 120.493 120.845 -0.352 1
1 165 . 3 1 1 A 22 22 LEU H H 22 8.049 7.982 0.067 1
1 166 . 3 1 1 A 22 22 LEU HA H 22 3.507 3.639 -0.132 1
1 176 . 3 1 1 A 22 22 LEU C C 22 177.768 178.831 -1.063 1
1 177 . 3 1 1 A 22 22 LEU CA C 22 58.418 57.693 0.725 1
1 178 . 3 1 1 A 22 22 LEU CB C 22 38.280 40.958 -2.678 1
1 182 . 3 1 1 A 22 22 LEU N N 22 121.618 118.703 2.915 1
1 183 . 3 1 1 A 23 23 GLN H H 23 8.047 8.570 -0.523 1
1 184 . 3 1 1 A 23 23 GLN HA H 23 4.042 4.218 -0.176 1
1 191 . 3 1 1 A 23 23 GLN C C 23 178.945 178.029 0.916 1
1 192 . 3 1 1 A 23 23 GLN CA C 23 59.172 59.223 -0.051 1
1 193 . 3 1 1 A 23 23 GLN CB C 23 28.225 28.491 -0.266 1
1 195 . 3 1 1 A 23 23 GLN N N 23 117.012 116.964 0.048 1
1 197 . 3 1 1 A 24 24 ARG H H 24 7.956 7.832 0.124 1
1 198 . 3 1 1 A 24 24 ARG HA H 24 4.098 4.100 -0.002 1
1 205 . 3 1 1 A 24 24 ARG C C 24 179.440 178.395 1.045 1
1 206 . 3 1 1 A 24 24 ARG CA C 24 59.443 59.028 0.415 1
1 207 . 3 1 1 A 24 24 ARG CB C 24 30.290 29.752 0.538 1
1 210 . 3 1 1 A 24 24 ARG N N 24 118.511 121.053 -2.542 1
1 211 . 3 1 1 A 25 25 ARG H H 25 7.768 7.883 -0.115 1
1 212 . 3 1 1 A 25 25 ARG HA H 25 4.380 4.136 0.244 1
1 219 . 3 1 1 A 25 25 ARG C C 25 177.933 178.493 -0.560 1
1 220 . 3 1 1 A 25 25 ARG CA C 25 56.993 58.954 -1.961 1
1 221 . 3 1 1 A 25 25 ARG CB C 25 28.118 30.059 -1.941 1
1 224 . 3 1 1 A 25 25 ARG N N 25 119.018 119.552 -0.534 1
1 225 . 3 1 1 A 26 26 PHE H H 26 8.739 8.507 0.232 1
1 226 . 3 1 1 A 26 26 PHE HA H 26 4.680 4.249 0.431 1
1 234 . 3 1 1 A 26 26 PHE C C 26 175.842 177.235 -1.393 1
1 235 . 3 1 1 A 26 26 PHE CA C 26 60.339 61.654 -1.315 1
1 236 . 3 1 1 A 26 26 PHE CB C 26 39.477 39.142 0.335 1
1 242 . 3 1 1 A 26 26 PHE N N 26 121.838 120.411 1.427 1
1 243 . 3 1 1 A 27 27 GLN H H 27 7.712 8.327 -0.615 1
1 244 . 3 1 1 A 27 27 GLN HA H 27 3.979 3.732 0.247 1
1 251 . 3 1 1 A 27 27 GLN C C 27 177.336 178.467 -1.131 1
1 252 . 3 1 1 A 27 27 GLN CA C 27 57.877 59.291 -1.414 1
1 253 . 3 1 1 A 27 27 GLN CB C 27 28.809 28.140 0.669 1
1 255 . 3 1 1 A 27 27 GLN N N 27 113.533 118.167 -4.634 1
1 257 . 3 1 1 A 28 28 LYS H H 28 7.469 7.722 -0.253 1
1 258 . 3 1 1 A 28 28 LYS HA H 28 4.316 4.109 0.207 1
1 267 . 3 1 1 A 28 28 LYS C C 28 177.011 176.167 0.844 1
1 268 . 3 1 1 A 28 28 LYS CA C 28 57.805 58.971 -1.166 1
1 269 . 3 1 1 A 28 28 LYS CB C 28 33.639 33.006 0.633 1
1 273 . 3 1 1 A 28 28 LYS N N 28 117.851 119.935 -2.084 1
1 274 . 3 1 1 A 29 29 THR H H 29 8.373 7.473 0.900 1
1 275 . 3 1 1 A 29 29 THR HA H 29 4.457 4.585 -0.128 1
1 280 . 3 1 1 A 29 29 THR C C 29 171.650 173.543 -1.893 1
1 281 . 3 1 1 A 29 29 THR CA C 29 59.598 60.398 -0.800 1
1 282 . 3 1 1 A 29 29 THR CB C 29 70.546 70.799 -0.253 1
1 284 . 3 1 1 A 29 29 THR N N 29 113.944 111.590 2.354 1
1 285 . 3 1 1 A 30 30 GLN H H 30 8.210 8.585 -0.375 1
1 286 . 3 1 1 A 30 30 GLN HA H 30 3.863 4.281 -0.418 1
1 293 . 3 1 1 A 30 30 GLN C C 30 174.111 175.783 -1.672 1
1 294 . 3 1 1 A 30 30 GLN CA C 30 56.868 57.728 -0.860 1
1 295 . 3 1 1 A 30 30 GLN CB C 30 27.841 29.842 -2.001 1
1 297 . 3 1 1 A 30 30 GLN N N 30 121.138 124.714 -3.576 1
1 299 . 3 1 1 A 31 31 TYR H H 31 7.532 7.534 -0.002 1
1 300 . 3 1 1 A 31 31 TYR HA H 31 4.700 5.301 -0.601 1
1 307 . 3 1 1 A 31 31 TYR C C 31 174.485 174.615 -0.130 1
1 308 . 3 1 1 A 31 31 TYR CA C 31 56.954 56.297 0.657 1
1 309 . 3 1 1 A 31 31 TYR CB C 31 41.374 41.464 -0.090 1
1 314 . 3 1 1 A 31 31 TYR N N 31 114.987 117.613 -2.626 1
1 315 . 3 1 1 A 32 32 LEU H H 32 8.382 8.799 -0.417 1
1 316 . 3 1 1 A 32 32 LEU HA H 32 4.486 4.942 -0.456 1
1 326 . 3 1 1 A 32 32 LEU C C 32 176.526 176.796 -0.270 1
1 327 . 3 1 1 A 32 32 LEU CA C 32 53.216 53.518 -0.302 1
1 328 . 3 1 1 A 32 32 LEU CB C 32 44.134 44.064 0.070 1
1 332 . 3 1 1 A 32 32 LEU N N 32 123.429 124.542 -1.113 1
1 333 . 3 1 1 A 33 33 ALA H H 33 8.805 8.694 0.111 1
1 334 . 3 1 1 A 33 33 ALA HA H 33 4.469 4.542 -0.073 1
1 338 . 3 1 1 A 33 33 ALA C C 33 178.230 177.735 0.495 1
1 339 . 3 1 1 A 33 33 ALA CA C 33 51.183 51.478 -0.295 1
1 340 . 3 1 1 A 33 33 ALA CB C 33 19.852 19.819 0.033 1
1 341 . 3 1 1 A 33 33 ALA N N 33 126.131 124.922 1.209 1
1 342 . 3 1 1 A 34 34 LEU H H 34 8.898 8.700 0.198 1
1 343 . 3 1 1 A 34 34 LEU HA H 34 4.088 4.041 0.047 1
1 353 . 3 1 1 A 34 34 LEU C C 34 178.245 175.676 2.569 1
1 354 . 3 1 1 A 34 34 LEU CA C 34 60.712 59.529 1.183 1
1 355 . 3 1 1 A 34 34 LEU CB C 34 39.135 40.653 -1.518 1
1 359 . 3 1 1 A 34 34 LEU N N 34 122.061 119.910 2.151 1
1 360 . 3 1 1 A 35 35 PRO HA H 35 4.378 4.258 0.120 1
1 367 . 3 1 1 A 35 35 PRO C C 35 179.888 179.108 0.780 1
1 368 . 3 1 1 A 35 35 PRO CA C 35 65.894 66.353 -0.459 1
1 369 . 3 1 1 A 35 35 PRO CB C 35 30.618 30.699 -0.081 1
1 372 . 3 1 1 A 36 36 GLU H H 36 6.984 8.476 -1.492 1
1 373 . 3 1 1 A 36 36 GLU HA H 36 4.192 4.039 0.153 1
1 378 . 3 1 1 A 36 36 GLU C C 36 179.230 178.914 0.316 1
1 379 . 3 1 1 A 36 36 GLU CA C 36 58.631 59.812 -1.181 1
1 380 . 3 1 1 A 36 36 GLU CB C 36 30.290 29.237 1.053 1
1 382 . 3 1 1 A 36 36 GLU N N 36 116.910 117.711 -0.801 1
1 383 . 3 1 1 A 37 37 ARG H H 37 8.489 8.130 0.359 1
1 384 . 3 1 1 A 37 37 ARG HA H 37 3.741 3.949 -0.208 1
1 391 . 3 1 1 A 37 37 ARG C C 37 177.835 178.051 -0.216 1
1 392 . 3 1 1 A 37 37 ARG CA C 37 60.076 58.703 1.373 1
1 393 . 3 1 1 A 37 37 ARG CB C 37 30.775 29.660 1.115 1
1 396 . 3 1 1 A 37 37 ARG N N 37 121.545 120.244 1.301 1
1 397 . 3 1 1 A 38 38 ALA H H 38 8.308 7.820 0.488 1
1 398 . 3 1 1 A 38 38 ALA HA H 38 3.941 4.033 -0.092 1
1 402 . 3 1 1 A 38 38 ALA C C 38 180.311 179.989 0.322 1
1 403 . 3 1 1 A 38 38 ALA CA C 38 55.446 55.051 0.395 1
1 404 . 3 1 1 A 38 38 ALA CB C 38 18.082 18.337 -0.255 1
1 405 . 3 1 1 A 38 38 ALA N N 38 120.571 121.316 -0.745 1
1 406 . 3 1 1 A 39 39 GLU H H 39 7.819 8.483 -0.664 1
1 407 . 3 1 1 A 39 39 GLU HA H 39 4.125 3.998 0.127 1
1 412 . 3 1 1 A 39 39 GLU C C 39 178.851 179.355 -0.504 1
1 413 . 3 1 1 A 39 39 GLU CA C 39 59.257 59.392 -0.135 1
1 414 . 3 1 1 A 39 39 GLU CB C 39 29.806 29.453 0.353 1
1 416 . 3 1 1 A 39 39 GLU N N 39 119.614 118.500 1.114 1
1 417 . 3 1 1 A 40 40 LEU H H 40 8.251 8.193 0.058 1
1 418 . 3 1 1 A 40 40 LEU HA H 40 4.149 4.033 0.116 1
1 428 . 3 1 1 A 40 40 LEU C C 40 178.939 179.264 -0.325 1
1 429 . 3 1 1 A 40 40 LEU CA C 40 57.625 57.742 -0.117 1
1 430 . 3 1 1 A 40 40 LEU CB C 40 42.239 40.828 1.411 1
1 434 . 3 1 1 A 40 40 LEU N N 40 121.912 120.246 1.666 1
1 435 . 3 1 1 A 41 41 ALA H H 41 8.449 7.543 0.906 1
1 436 . 3 1 1 A 41 41 ALA HA H 41 3.629 4.141 -0.512 1
1 440 . 3 1 1 A 41 41 ALA C C 41 179.199 179.012 0.187 1
1 441 . 3 1 1 A 41 41 ALA CA C 41 56.202 54.272 1.930 1
1 442 . 3 1 1 A 41 41 ALA CB C 41 17.819 18.084 -0.265 1
1 443 . 3 1 1 A 41 41 ALA N N 41 120.020 121.880 -1.860 1
1 444 . 3 1 1 A 42 42 ALA H H 42 7.800 7.847 -0.047 1
1 445 . 3 1 1 A 42 42 ALA HA H 42 4.240 4.297 -0.057 1
1 449 . 3 1 1 A 42 42 ALA C C 42 181.146 179.775 1.371 1
1 450 . 3 1 1 A 42 42 ALA CA C 42 54.991 54.471 0.520 1
1 451 . 3 1 1 A 42 42 ALA CB C 42 17.983 19.118 -1.135 1
1 452 . 3 1 1 A 42 42 ALA N N 42 118.414 119.987 -1.573 1
1 453 . 3 1 1 A 43 43 SER H H 43 8.172 8.363 -0.191 1
1 454 . 3 1 1 A 43 43 SER HA H 43 4.314 4.295 0.019 1
1 457 . 3 1 1 A 43 43 SER C C 43 175.817 176.338 -0.521 1
1 458 . 3 1 1 A 43 43 SER CA C 43 61.138 62.359 -1.221 1
1 459 . 3 1 1 A 43 43 SER CB C 43 63.341 63.539 -0.198 1
1 460 . 3 1 1 A 43 43 SER N N 43 113.508 114.741 -1.233 1
1 461 . 3 1 1 A 44 44 LEU H H 44 7.701 7.683 0.018 1
1 462 . 3 1 1 A 44 44 LEU HA H 44 4.662 4.060 0.602 1
1 472 . 3 1 1 A 44 44 LEU C C 44 177.588 177.008 0.580 1
1 473 . 3 1 1 A 44 44 LEU CA C 44 54.556 55.559 -1.003 1
1 474 . 3 1 1 A 44 44 LEU CB C 44 44.134 42.406 1.728 1
1 478 . 3 1 1 A 44 44 LEU N N 44 117.384 118.243 -0.859 1
1 479 . 3 1 1 A 45 45 GLY H H 45 7.971 7.953 0.018 1
1 480 . 3 1 1 A 45 45 GLY HA2 H 45 4.130 3.952 0.178 1
1 481 . 3 1 1 A 45 45 GLY HA3 H 45 3.991 3.977 0.014 1
1 482 . 3 1 1 A 45 45 GLY C C 45 174.538 174.346 0.192 1
1 483 . 3 1 1 A 45 45 GLY CA C 45 46.623 45.715 0.908 1
1 484 . 3 1 1 A 45 45 GLY N N 45 110.156 106.333 3.823 1
1 485 . 3 1 1 A 46 46 LEU H H 46 8.012 8.006 0.006 1
1 486 . 3 1 1 A 46 46 LEU HA H 46 4.914 4.773 0.141 1
1 496 . 3 1 1 A 46 46 LEU C C 46 176.613 175.546 1.067 1
1 497 . 3 1 1 A 46 46 LEU CA C 46 52.652 53.473 -0.821 1
1 498 . 3 1 1 A 46 46 LEU CB C 46 46.882 42.641 4.241 1
1 502 . 3 1 1 A 46 46 LEU N N 46 119.755 121.657 -1.902 1
1 503 . 3 1 1 A 47 47 THR H H 47 8.846 8.309 0.537 1
1 504 . 3 1 1 A 47 47 THR HA H 47 4.681 4.829 -0.148 1
1 509 . 3 1 1 A 47 47 THR C C 47 176.869 175.497 1.372 1
1 510 . 3 1 1 A 47 47 THR CA C 47 60.326 59.610 0.716 1
1 511 . 3 1 1 A 47 47 THR CB C 47 70.720 70.928 -0.208 1
1 513 . 3 1 1 A 47 47 THR N N 47 109.908 113.991 -4.083 1
1 514 . 3 1 1 A 48 48 GLN H H 48 9.324 9.019 0.305 1
1 515 . 3 1 1 A 48 48 GLN HA H 48 3.708 3.938 -0.230 1
1 522 . 3 1 1 A 48 48 GLN C C 48 178.548 177.953 0.595 1
1 523 . 3 1 1 A 48 48 GLN CA C 48 60.839 59.301 1.538 1
1 524 . 3 1 1 A 48 48 GLN CB C 48 27.998 28.156 -0.158 1
1 526 . 3 1 1 A 48 48 GLN N N 48 120.589 127.407 -6.818 1
1 528 . 3 1 1 A 49 49 THR H H 49 8.172 7.724 0.448 1
1 529 . 3 1 1 A 49 49 THR HA H 49 3.908 4.115 -0.207 1
1 534 . 3 1 1 A 49 49 THR CA C 49 66.920 65.630 1.290 1
1 535 . 3 1 1 A 49 49 THR CB C 49 68.671 68.644 0.027 1
1 537 . 3 1 1 A 49 49 THR N N 49 115.925 117.593 -1.668 1
1 538 . 3 1 1 A 50 50 GLN H H 50 8.005 8.251 -0.246 1
1 539 . 3 1 1 A 50 50 GLN HA H 50 4.049 4.344 -0.295 1
1 546 . 3 1 1 A 50 50 GLN C C 50 180.191 178.093 2.098 1
1 547 . 3 1 1 A 50 50 GLN CA C 50 59.633 58.336 1.297 1
1 548 . 3 1 1 A 50 50 GLN CB C 50 28.965 29.387 -0.422 1
1 550 . 3 1 1 A 50 50 GLN N N 50 120.680 120.311 0.369 1
1 552 . 3 1 1 A 51 51 VAL H H 51 7.759 8.131 -0.372 1
1 553 . 3 1 1 A 51 51 VAL HA H 51 3.754 3.765 -0.011 1
1 561 . 3 1 1 A 51 51 VAL C C 51 176.534 178.522 -1.988 1
1 562 . 3 1 1 A 51 51 VAL CA C 51 67.618 66.636 0.982 1
1 563 . 3 1 1 A 51 51 VAL CB C 51 32.052 31.616 0.436 1
1 566 . 3 1 1 A 51 51 VAL N N 51 119.814 120.634 -0.820 1
1 567 . 3 1 1 A 52 52 LYS H H 52 8.504 7.636 0.868 1
1 568 . 3 1 1 A 52 52 LYS HA H 52 4.301 4.014 0.287 1
1 577 . 3 1 1 A 52 52 LYS C C 52 179.918 179.827 0.091 1
1 578 . 3 1 1 A 52 52 LYS CA C 52 60.046 59.404 0.642 1
1 579 . 3 1 1 A 52 52 LYS CB C 52 33.392 32.355 1.037 1
1 583 . 3 1 1 A 52 52 LYS N N 52 121.422 119.179 2.243 1
1 584 . 3 1 1 A 53 53 ILE H H 53 8.775 8.148 0.627 1
1 585 . 3 1 1 A 53 53 ILE HA H 53 3.866 3.736 0.130 1
1 595 . 3 1 1 A 53 53 ILE C C 53 177.447 178.519 -1.072 1
1 596 . 3 1 1 A 53 53 ILE CA C 53 64.285 65.227 -0.942 1
1 597 . 3 1 1 A 53 53 ILE CB C 53 38.066 37.448 0.618 1
1 601 . 3 1 1 A 53 53 ILE N N 53 119.411 120.174 -0.763 1
1 602 . 3 1 1 A 54 54 TRP H H 54 8.052 8.311 -0.259 1
1 603 . 3 1 1 A 54 54 TRP HA H 54 4.005 4.159 -0.154 1
1 612 . 3 1 1 A 54 54 TRP C C 54 179.712 178.161 1.551 1
1 613 . 3 1 1 A 54 54 TRP CA C 54 63.406 61.415 1.991 1
1 614 . 3 1 1 A 54 54 TRP CB C 54 28.935 29.512 -0.577 1
1 620 . 3 1 1 A 54 54 TRP N N 54 122.233 122.119 0.114 1
1 622 . 3 1 1 A 55 55 PHE H H 55 8.720 8.342 0.378 1
1 623 . 3 1 1 A 55 55 PHE HA H 55 3.786 4.089 -0.303 1
1 631 . 3 1 1 A 55 55 PHE C C 55 177.753 178.015 -0.262 1
1 632 . 3 1 1 A 55 55 PHE CA C 55 63.194 62.254 0.940 1
1 633 . 3 1 1 A 55 55 PHE CB C 55 39.739 38.703 1.036 1
1 639 . 3 1 1 A 55 55 PHE N N 55 118.671 118.104 0.567 1
1 640 . 3 1 1 A 56 56 GLN H H 56 8.294 8.546 -0.252 1
1 641 . 3 1 1 A 56 56 GLN HA H 56 3.952 3.912 0.040 1
1 648 . 3 1 1 A 56 56 GLN C C 56 179.029 178.115 0.914 1
1 649 . 3 1 1 A 56 56 GLN CA C 56 59.414 58.714 0.700 1
1 650 . 3 1 1 A 56 56 GLN CB C 56 28.724 28.555 0.169 1
1 652 . 3 1 1 A 56 56 GLN N N 56 118.357 120.107 -1.750 1
1 654 . 3 1 1 A 57 57 ASN H H 57 8.580 8.356 0.224 1
1 655 . 3 1 1 A 57 57 ASN HA H 57 4.315 4.313 0.002 1
1 660 . 3 1 1 A 57 57 ASN C C 57 177.717 177.649 0.068 1
1 661 . 3 1 1 A 57 57 ASN CA C 57 55.541 56.285 -0.744 1
1 662 . 3 1 1 A 57 57 ASN CB C 57 37.796 37.984 -0.188 1
1 663 . 3 1 1 A 57 57 ASN N N 57 118.858 118.345 0.513 1
1 665 . 3 1 1 A 58 58 LYS H H 58 7.761 7.473 0.288 1
1 666 . 3 1 1 A 58 58 LYS HA H 58 3.416 3.540 -0.124 1
1 675 . 3 1 1 A 58 58 LYS C C 58 178.937 178.457 0.480 1
1 676 . 3 1 1 A 58 58 LYS CA C 58 57.292 59.243 -1.951 1
1 677 . 3 1 1 A 58 58 LYS CB C 58 30.746 31.402 -0.656 1
1 681 . 3 1 1 A 58 58 LYS N N 58 122.418 120.051 2.367 1
1 682 . 3 1 1 A 59 59 ARG H H 59 7.965 7.926 0.039 1
1 683 . 3 1 1 A 59 59 ARG HA H 59 4.078 4.183 -0.105 1
1 690 . 3 1 1 A 59 59 ARG C C 59 178.804 179.280 -0.476 1
1 691 . 3 1 1 A 59 59 ARG CA C 59 60.056 59.815 0.241 1
1 692 . 3 1 1 A 59 59 ARG CB C 59 31.573 30.107 1.466 1
1 695 . 3 1 1 A 59 59 ARG N N 59 116.992 119.092 -2.100 1
1 696 . 3 1 1 A 60 60 SER H H 60 7.733 7.963 -0.230 1
1 697 . 3 1 1 A 60 60 SER HA H 60 4.308 4.297 0.011 1
1 700 . 3 1 1 A 60 60 SER C C 60 175.262 175.193 0.069 1
1 701 . 3 1 1 A 60 60 SER CA C 60 60.550 60.893 -0.343 1
1 702 . 3 1 1 A 60 60 SER CB C 60 63.304 62.926 0.378 1
1 703 . 3 1 1 A 60 60 SER N N 60 113.717 114.840 -1.123 1
1 704 . 3 1 1 A 61 61 LYS H H 61 7.622 7.779 -0.157 1
1 705 . 3 1 1 A 61 61 LYS HA H 61 4.218 4.386 -0.168 1
1 714 . 3 1 1 A 61 61 LYS C C 61 177.402 174.635 2.767 1
1 715 . 3 1 1 A 61 61 LYS CA C 61 56.989 55.486 1.503 1
1 716 . 3 1 1 A 61 61 LYS CB C 61 32.486 30.997 1.489 1
1 720 . 3 1 1 A 61 61 LYS N N 61 121.107 119.312 1.795 1
1 721 . 3 1 1 A 62 62 ILE H H 62 7.632 8.275 -0.643 1
1 722 . 3 1 1 A 62 62 ILE HA H 62 4.074 4.542 -0.468 1
1 732 . 3 1 1 A 62 62 ILE C C 62 176.614 176.029 0.585 1
1 733 . 3 1 1 A 62 62 ILE CA C 62 61.960 59.806 2.154 1
1 734 . 3 1 1 A 62 62 ILE CB C 62 38.231 40.965 -2.734 1
1 738 . 3 1 1 A 62 62 ILE N N 62 119.268 121.326 -2.058 1
1 739 . 3 1 1 A 63 63 LYS H H 63 8.100 8.863 -0.763 1
1 740 . 3 1 1 A 63 63 LYS HA H 63 4.304 3.915 0.389 1
1 747 . 3 1 1 A 63 63 LYS C C 63 176.623 175.176 1.447 1
1 748 . 3 1 1 A 63 63 LYS CA C 63 56.672 57.327 -0.655 1
1 749 . 3 1 1 A 63 63 LYS CB C 63 32.898 31.099 1.799 1
1 753 . 3 1 1 A 63 63 LYS N N 63 124.673 125.965 -1.292 1
1 754 . 3 1 1 A 64 64 LYS H H 64 8.272 7.842 0.430 1
1 755 . 3 1 1 A 64 64 LYS C C 64 176.619 176.236 0.383 1
1 756 . 3 1 1 A 64 64 LYS CA C 64 56.531 54.957 1.574 1
1 757 . 3 1 1 A 64 64 LYS CB C 64 33.017 33.750 -0.733 1
1 758 . 3 1 1 A 64 64 LYS N N 64 122.722 119.514 3.208 1
1 759 . 3 1 1 A 65 65 SER HA H 65 4.533 4.628 -0.095 1
1 762 . 3 1 1 A 65 65 SER C C 65 174.501 174.503 -0.002 1
1 763 . 3 1 1 A 65 65 SER CA C 65 58.364 58.864 -0.500 1
1 764 . 3 1 1 A 65 65 SER CB C 65 64.210 62.914 1.296 1
1 765 . 3 1 1 A 66 66 GLY H H 66 8.264 8.733 -0.469 1
1 766 . 3 1 1 A 66 66 GLY C C 66 171.884 174.269 -2.385 1
1 767 . 3 1 1 A 66 66 GLY CA C 66 44.719 43.706 1.013 1
1 768 . 3 1 1 A 66 66 GLY N N 66 110.727 114.307 -3.580 1
1 772 . 3 1 1 A 67 67 PRO CA C 67 63.385 64.230 -0.845 1
1 773 . 3 1 1 A 67 67 PRO CB C 67 32.419 31.823 0.596 1
1 1 . 4 1 1 A 8 8 ARG HA H 8 4.360 5.061 -0.701 1
1 8 . 4 1 1 A 8 8 ARG C C 8 176.260 174.803 1.457 1
1 9 . 4 1 1 A 8 8 ARG CA C 8 55.966 54.767 1.199 1
1 10 . 4 1 1 A 8 8 ARG CB C 8 30.838 33.141 -2.303 1
1 13 . 4 1 1 A 9 9 LYS H H 9 8.400 8.624 -0.224 1
1 14 . 4 1 1 A 9 9 LYS C C 9 174.555 176.168 -1.613 1
1 15 . 4 1 1 A 9 9 LYS CA C 9 54.274 52.989 1.285 1
1 16 . 4 1 1 A 9 9 LYS CB C 9 32.440 33.908 -1.468 1
1 17 . 4 1 1 A 9 9 LYS N N 9 124.470 125.550 -1.080 1
1 18 . 4 1 1 A 10 10 PRO HA H 10 4.441 4.485 -0.044 1
1 25 . 4 1 1 A 10 10 PRO C C 10 176.789 176.283 0.506 1
1 26 . 4 1 1 A 10 10 PRO CA C 10 63.088 64.286 -1.198 1
1 27 . 4 1 1 A 10 10 PRO CB C 10 32.156 32.265 -0.109 1
1 30 . 4 1 1 A 11 11 ARG H H 11 8.471 7.608 0.863 1
1 31 . 4 1 1 A 11 11 ARG HA H 11 4.370 4.981 -0.611 1
1 36 . 4 1 1 A 11 11 ARG C C 11 176.400 174.424 1.976 1
1 37 . 4 1 1 A 11 11 ARG CA C 11 56.439 55.317 1.122 1
1 38 . 4 1 1 A 11 11 ARG CB C 11 30.710 33.392 -2.682 1
1 40 . 4 1 1 A 11 11 ARG N N 11 121.881 116.804 5.077 1
1 41 . 4 1 1 A 12 12 THR HA H 12 4.270 4.805 -0.535 1
1 46 . 4 1 1 A 12 12 THR C C 12 173.737 175.412 -1.675 1
1 47 . 4 1 1 A 12 12 THR CA C 12 62.101 61.141 0.960 1
1 48 . 4 1 1 A 12 12 THR CB C 12 69.896 71.605 -1.709 1
1 50 . 4 1 1 A 13 13 ILE H H 13 8.215 8.383 -0.168 1
1 51 . 4 1 1 A 13 13 ILE HA H 13 4.063 3.867 0.196 1
1 61 . 4 1 1 A 13 13 ILE C C 13 175.361 175.884 -0.523 1
1 62 . 4 1 1 A 13 13 ILE CA C 13 61.109 63.637 -2.528 1
1 63 . 4 1 1 A 13 13 ILE CB C 13 38.748 38.265 0.483 1
1 67 . 4 1 1 A 13 13 ILE N N 13 124.648 123.133 1.515 1
1 68 . 4 1 1 A 14 14 TYR H H 14 7.928 7.798 0.130 1
1 69 . 4 1 1 A 14 14 TYR HA H 14 4.923 5.271 -0.348 1
1 76 . 4 1 1 A 14 14 TYR C C 14 176.009 175.030 0.979 1
1 77 . 4 1 1 A 14 14 TYR CA C 14 56.425 56.807 -0.382 1
1 78 . 4 1 1 A 14 14 TYR CB C 14 39.984 42.536 -2.552 1
1 83 . 4 1 1 A 14 14 TYR N N 14 122.287 120.031 2.256 1
1 84 . 4 1 1 A 15 15 SER H H 15 9.368 8.633 0.735 1
1 85 . 4 1 1 A 15 15 SER HA H 15 4.639 4.662 -0.023 1
1 88 . 4 1 1 A 15 15 SER C C 15 175.065 175.588 -0.523 1
1 89 . 4 1 1 A 15 15 SER CA C 15 56.918 58.596 -1.678 1
1 90 . 4 1 1 A 15 15 SER CB C 15 65.646 63.668 1.978 1
1 91 . 4 1 1 A 15 15 SER N N 15 119.482 118.372 1.110 1
1 92 . 4 1 1 A 16 16 SER HA H 16 4.181 4.095 0.086 1
1 95 . 4 1 1 A 16 16 SER CA C 16 62.192 61.968 0.224 1
1 96 . 4 1 1 A 16 16 SER CB C 16 62.188 62.392 -0.204 1
1 97 . 4 1 1 A 17 17 PHE H H 17 7.815 8.079 -0.264 1
1 98 . 4 1 1 A 17 17 PHE HA H 17 4.313 4.126 0.187 1
1 106 . 4 1 1 A 17 17 PHE C C 17 177.979 178.092 -0.113 1
1 107 . 4 1 1 A 17 17 PHE CA C 17 60.981 61.252 -0.271 1
1 108 . 4 1 1 A 17 17 PHE CB C 17 39.519 39.073 0.446 1
1 114 . 4 1 1 A 17 17 PHE N N 17 119.320 124.115 -4.795 1
1 115 . 4 1 1 A 18 18 GLN H H 18 7.816 8.319 -0.503 1
1 116 . 4 1 1 A 18 18 GLN HA H 18 3.720 3.770 -0.050 1
1 123 . 4 1 1 A 18 18 GLN C C 18 177.456 178.868 -1.412 1
1 124 . 4 1 1 A 18 18 GLN CA C 18 58.902 58.652 0.250 1
1 125 . 4 1 1 A 18 18 GLN CB C 18 28.118 28.378 -0.260 1
1 127 . 4 1 1 A 18 18 GLN N N 18 119.339 118.142 1.197 1
1 129 . 4 1 1 A 19 19 LEU H H 19 8.583 8.339 0.244 1
1 130 . 4 1 1 A 19 19 LEU HA H 19 3.570 3.781 -0.211 1
1 140 . 4 1 1 A 19 19 LEU C C 19 178.761 178.557 0.204 1
1 141 . 4 1 1 A 19 19 LEU CA C 19 57.837 57.809 0.028 1
1 142 . 4 1 1 A 19 19 LEU CB C 19 41.883 42.220 -0.337 1
1 146 . 4 1 1 A 19 19 LEU N N 19 117.368 120.746 -3.378 1
1 147 . 4 1 1 A 20 20 ALA H H 20 7.918 8.648 -0.730 1
1 148 . 4 1 1 A 20 20 ALA HA H 20 4.019 3.979 0.040 1
1 152 . 4 1 1 A 20 20 ALA C C 20 180.256 179.434 0.822 1
1 153 . 4 1 1 A 20 20 ALA CA C 20 54.944 55.533 -0.589 1
1 154 . 4 1 1 A 20 20 ALA CB C 20 17.731 18.746 -1.015 1
1 155 . 4 1 1 A 20 20 ALA N N 20 120.010 120.984 -0.974 1
1 156 . 4 1 1 A 21 21 ALA H H 21 7.313 7.190 0.123 1
1 157 . 4 1 1 A 21 21 ALA HA H 21 3.945 3.973 -0.028 1
1 161 . 4 1 1 A 21 21 ALA C C 21 181.088 179.328 1.760 1
1 162 . 4 1 1 A 21 21 ALA CA C 21 54.749 54.825 -0.076 1
1 163 . 4 1 1 A 21 21 ALA CB C 21 19.723 18.387 1.336 1
1 164 . 4 1 1 A 21 21 ALA N N 21 120.493 120.648 -0.155 1
1 165 . 4 1 1 A 22 22 LEU H H 22 8.049 7.926 0.123 1
1 166 . 4 1 1 A 22 22 LEU HA H 22 3.507 3.645 -0.138 1
1 176 . 4 1 1 A 22 22 LEU C C 22 177.768 178.623 -0.855 1
1 177 . 4 1 1 A 22 22 LEU CA C 22 58.418 57.764 0.654 1
1 178 . 4 1 1 A 22 22 LEU CB C 22 38.280 40.754 -2.474 1
1 182 . 4 1 1 A 22 22 LEU N N 22 121.618 118.200 3.418 1
1 183 . 4 1 1 A 23 23 GLN H H 23 8.047 8.381 -0.334 1
1 184 . 4 1 1 A 23 23 GLN HA H 23 4.042 4.107 -0.065 1
1 191 . 4 1 1 A 23 23 GLN C C 23 178.945 178.847 0.098 1
1 192 . 4 1 1 A 23 23 GLN CA C 23 59.172 59.369 -0.197 1
1 193 . 4 1 1 A 23 23 GLN CB C 23 28.225 28.429 -0.204 1
1 195 . 4 1 1 A 23 23 GLN N N 23 117.012 117.113 -0.101 1
1 197 . 4 1 1 A 24 24 ARG H H 24 7.956 7.538 0.418 1
1 198 . 4 1 1 A 24 24 ARG HA H 24 4.098 4.114 -0.016 1
1 205 . 4 1 1 A 24 24 ARG C C 24 179.440 178.521 0.919 1
1 206 . 4 1 1 A 24 24 ARG CA C 24 59.443 59.152 0.291 1
1 207 . 4 1 1 A 24 24 ARG CB C 24 30.290 29.882 0.408 1
1 210 . 4 1 1 A 24 24 ARG N N 24 118.511 119.182 -0.671 1
1 211 . 4 1 1 A 25 25 ARG H H 25 7.768 7.945 -0.177 1
1 212 . 4 1 1 A 25 25 ARG HA H 25 4.380 4.132 0.248 1
1 219 . 4 1 1 A 25 25 ARG C C 25 177.933 178.825 -0.892 1
1 220 . 4 1 1 A 25 25 ARG CA C 25 56.993 58.535 -1.542 1
1 221 . 4 1 1 A 25 25 ARG CB C 25 28.118 30.023 -1.905 1
1 224 . 4 1 1 A 25 25 ARG N N 25 119.018 120.123 -1.105 1
1 225 . 4 1 1 A 26 26 PHE H H 26 8.739 8.171 0.568 1
1 226 . 4 1 1 A 26 26 PHE HA H 26 4.680 4.269 0.411 1
1 234 . 4 1 1 A 26 26 PHE C C 26 175.842 177.627 -1.785 1
1 235 . 4 1 1 A 26 26 PHE CA C 26 60.339 61.380 -1.041 1
1 236 . 4 1 1 A 26 26 PHE CB C 26 39.477 39.107 0.370 1
1 242 . 4 1 1 A 26 26 PHE N N 26 121.838 120.630 1.208 1
1 243 . 4 1 1 A 27 27 GLN H H 27 7.712 7.876 -0.164 1
1 244 . 4 1 1 A 27 27 GLN HA H 27 3.979 3.639 0.340 1
1 251 . 4 1 1 A 27 27 GLN C C 27 177.336 178.440 -1.104 1
1 252 . 4 1 1 A 27 27 GLN CA C 27 57.877 59.254 -1.377 1
1 253 . 4 1 1 A 27 27 GLN CB C 27 28.809 28.037 0.772 1
1 255 . 4 1 1 A 27 27 GLN N N 27 113.533 118.427 -4.894 1
1 257 . 4 1 1 A 28 28 LYS H H 28 7.469 7.634 -0.165 1
1 258 . 4 1 1 A 28 28 LYS HA H 28 4.316 4.091 0.225 1
1 267 . 4 1 1 A 28 28 LYS C C 28 177.011 176.289 0.722 1
1 268 . 4 1 1 A 28 28 LYS CA C 28 57.805 58.979 -1.174 1
1 269 . 4 1 1 A 28 28 LYS CB C 28 33.639 32.301 1.338 1
1 273 . 4 1 1 A 28 28 LYS N N 28 117.851 119.303 -1.452 1
1 274 . 4 1 1 A 29 29 THR H H 29 8.373 7.556 0.817 1
1 275 . 4 1 1 A 29 29 THR HA H 29 4.457 4.639 -0.182 1
1 280 . 4 1 1 A 29 29 THR C C 29 171.650 173.142 -1.492 1
1 281 . 4 1 1 A 29 29 THR CA C 29 59.598 59.808 -0.210 1
1 282 . 4 1 1 A 29 29 THR CB C 29 70.546 70.945 -0.399 1
1 284 . 4 1 1 A 29 29 THR N N 29 113.944 110.485 3.459 1
1 285 . 4 1 1 A 30 30 GLN H H 30 8.210 8.615 -0.405 1
1 286 . 4 1 1 A 30 30 GLN HA H 30 3.863 4.181 -0.318 1
1 293 . 4 1 1 A 30 30 GLN C C 30 174.111 175.628 -1.517 1
1 294 . 4 1 1 A 30 30 GLN CA C 30 56.868 57.182 -0.314 1
1 295 . 4 1 1 A 30 30 GLN CB C 30 27.841 29.874 -2.033 1
1 297 . 4 1 1 A 30 30 GLN N N 30 121.138 123.050 -1.912 1
1 299 . 4 1 1 A 31 31 TYR H H 31 7.532 7.332 0.200 1
1 300 . 4 1 1 A 31 31 TYR HA H 31 4.700 5.310 -0.610 1
1 307 . 4 1 1 A 31 31 TYR C C 31 174.485 174.738 -0.253 1
1 308 . 4 1 1 A 31 31 TYR CA C 31 56.954 56.944 0.010 1
1 309 . 4 1 1 A 31 31 TYR CB C 31 41.374 41.487 -0.113 1
1 314 . 4 1 1 A 31 31 TYR N N 31 114.987 116.354 -1.367 1
1 315 . 4 1 1 A 32 32 LEU H H 32 8.382 8.835 -0.453 1
1 316 . 4 1 1 A 32 32 LEU HA H 32 4.486 5.010 -0.524 1
1 326 . 4 1 1 A 32 32 LEU C C 32 176.526 176.514 0.012 1
1 327 . 4 1 1 A 32 32 LEU CA C 32 53.216 53.303 -0.087 1
1 328 . 4 1 1 A 32 32 LEU CB C 32 44.134 45.180 -1.046 1
1 332 . 4 1 1 A 32 32 LEU N N 32 123.429 121.474 1.955 1
1 333 . 4 1 1 A 33 33 ALA H H 33 8.805 8.813 -0.008 1
1 334 . 4 1 1 A 33 33 ALA HA H 33 4.469 4.403 0.066 1
1 338 . 4 1 1 A 33 33 ALA C C 33 178.230 177.759 0.471 1
1 339 . 4 1 1 A 33 33 ALA CA C 33 51.183 51.972 -0.789 1
1 340 . 4 1 1 A 33 33 ALA CB C 33 19.852 20.013 -0.161 1
1 341 . 4 1 1 A 33 33 ALA N N 33 126.131 125.479 0.652 1
1 342 . 4 1 1 A 34 34 LEU H H 34 8.898 8.741 0.157 1
1 343 . 4 1 1 A 34 34 LEU HA H 34 4.088 4.066 0.022 1
1 353 . 4 1 1 A 34 34 LEU C C 34 178.245 175.497 2.748 1
1 354 . 4 1 1 A 34 34 LEU CA C 34 60.712 59.496 1.216 1
1 355 . 4 1 1 A 34 34 LEU CB C 34 39.135 40.665 -1.530 1
1 359 . 4 1 1 A 34 34 LEU N N 34 122.061 120.543 1.518 1
1 360 . 4 1 1 A 35 35 PRO HA H 35 4.378 4.338 0.040 1
1 367 . 4 1 1 A 35 35 PRO C C 35 179.888 179.086 0.802 1
1 368 . 4 1 1 A 35 35 PRO CA C 35 65.894 65.356 0.538 1
1 369 . 4 1 1 A 35 35 PRO CB C 35 30.618 30.784 -0.166 1
1 372 . 4 1 1 A 36 36 GLU H H 36 6.984 8.406 -1.422 1
1 373 . 4 1 1 A 36 36 GLU HA H 36 4.192 4.043 0.149 1
1 378 . 4 1 1 A 36 36 GLU C C 36 179.230 179.219 0.011 1
1 379 . 4 1 1 A 36 36 GLU CA C 36 58.631 59.986 -1.355 1
1 380 . 4 1 1 A 36 36 GLU CB C 36 30.290 29.028 1.262 1
1 382 . 4 1 1 A 36 36 GLU N N 36 116.910 118.228 -1.318 1
1 383 . 4 1 1 A 37 37 ARG H H 37 8.489 8.024 0.465 1
1 384 . 4 1 1 A 37 37 ARG HA H 37 3.741 3.835 -0.094 1
1 391 . 4 1 1 A 37 37 ARG C C 37 177.835 178.015 -0.180 1
1 392 . 4 1 1 A 37 37 ARG CA C 37 60.076 59.126 0.950 1
1 393 . 4 1 1 A 37 37 ARG CB C 37 30.775 29.954 0.821 1
1 396 . 4 1 1 A 37 37 ARG N N 37 121.545 120.727 0.818 1
1 397 . 4 1 1 A 38 38 ALA H H 38 8.308 7.785 0.523 1
1 398 . 4 1 1 A 38 38 ALA HA H 38 3.941 4.045 -0.104 1
1 402 . 4 1 1 A 38 38 ALA C C 38 180.311 180.207 0.104 1
1 403 . 4 1 1 A 38 38 ALA CA C 38 55.446 55.295 0.151 1
1 404 . 4 1 1 A 38 38 ALA CB C 38 18.082 18.306 -0.224 1
1 405 . 4 1 1 A 38 38 ALA N N 38 120.571 121.323 -0.752 1
1 406 . 4 1 1 A 39 39 GLU H H 39 7.819 8.011 -0.192 1
1 407 . 4 1 1 A 39 39 GLU HA H 39 4.125 3.964 0.161 1
1 412 . 4 1 1 A 39 39 GLU C C 39 178.851 179.282 -0.431 1
1 413 . 4 1 1 A 39 39 GLU CA C 39 59.257 59.444 -0.187 1
1 414 . 4 1 1 A 39 39 GLU CB C 39 29.806 29.467 0.339 1
1 416 . 4 1 1 A 39 39 GLU N N 39 119.614 118.749 0.865 1
1 417 . 4 1 1 A 40 40 LEU H H 40 8.251 7.700 0.551 1
1 418 . 4 1 1 A 40 40 LEU HA H 40 4.149 4.041 0.108 1
1 428 . 4 1 1 A 40 40 LEU C C 40 178.939 179.000 -0.061 1
1 429 . 4 1 1 A 40 40 LEU CA C 40 57.625 57.813 -0.188 1
1 430 . 4 1 1 A 40 40 LEU CB C 40 42.239 41.256 0.983 1
1 434 . 4 1 1 A 40 40 LEU N N 40 121.912 120.508 1.404 1
1 435 . 4 1 1 A 41 41 ALA H H 41 8.449 8.317 0.132 1
1 436 . 4 1 1 A 41 41 ALA HA H 41 3.629 4.051 -0.422 1
1 440 . 4 1 1 A 41 41 ALA C C 41 179.199 180.065 -0.866 1
1 441 . 4 1 1 A 41 41 ALA CA C 41 56.202 55.248 0.954 1
1 442 . 4 1 1 A 41 41 ALA CB C 41 17.819 17.992 -0.173 1
1 443 . 4 1 1 A 41 41 ALA N N 41 120.020 121.811 -1.791 1
1 444 . 4 1 1 A 42 42 ALA H H 42 7.800 8.378 -0.578 1
1 445 . 4 1 1 A 42 42 ALA HA H 42 4.240 4.180 0.060 1
1 449 . 4 1 1 A 42 42 ALA C C 42 181.146 179.297 1.849 1
1 450 . 4 1 1 A 42 42 ALA CA C 42 54.991 55.205 -0.214 1
1 451 . 4 1 1 A 42 42 ALA CB C 42 17.983 18.431 -0.448 1
1 452 . 4 1 1 A 42 42 ALA N N 42 118.414 120.258 -1.844 1
1 453 . 4 1 1 A 43 43 SER H H 43 8.172 8.415 -0.243 1
1 454 . 4 1 1 A 43 43 SER HA H 43 4.314 4.222 0.092 1
1 457 . 4 1 1 A 43 43 SER C C 43 175.817 176.404 -0.587 1
1 458 . 4 1 1 A 43 43 SER CA C 43 61.138 62.769 -1.631 1
1 459 . 4 1 1 A 43 43 SER CB C 43 63.341 63.194 0.147 1
1 460 . 4 1 1 A 43 43 SER N N 43 113.508 114.417 -0.909 1
1 461 . 4 1 1 A 44 44 LEU H H 44 7.701 8.028 -0.327 1
1 462 . 4 1 1 A 44 44 LEU HA H 44 4.662 4.415 0.247 1
1 472 . 4 1 1 A 44 44 LEU C C 44 177.588 177.050 0.538 1
1 473 . 4 1 1 A 44 44 LEU CA C 44 54.556 55.526 -0.970 1
1 474 . 4 1 1 A 44 44 LEU CB C 44 44.134 42.552 1.582 1
1 478 . 4 1 1 A 44 44 LEU N N 44 117.384 118.461 -1.077 1
1 479 . 4 1 1 A 45 45 GLY H H 45 7.971 8.075 -0.104 1
1 480 . 4 1 1 A 45 45 GLY HA2 H 45 4.130 3.945 0.185 1
1 481 . 4 1 1 A 45 45 GLY HA3 H 45 3.991 3.960 0.031 1
1 482 . 4 1 1 A 45 45 GLY C C 45 174.538 174.360 0.178 1
1 483 . 4 1 1 A 45 45 GLY CA C 45 46.623 45.822 0.801 1
1 484 . 4 1 1 A 45 45 GLY N N 45 110.156 107.068 3.088 1
1 485 . 4 1 1 A 46 46 LEU H H 46 8.012 7.928 0.084 1
1 486 . 4 1 1 A 46 46 LEU HA H 46 4.914 4.801 0.113 1
1 496 . 4 1 1 A 46 46 LEU C C 46 176.613 175.606 1.007 1
1 497 . 4 1 1 A 46 46 LEU CA C 46 52.652 53.460 -0.808 1
1 498 . 4 1 1 A 46 46 LEU CB C 46 46.882 42.890 3.992 1
1 502 . 4 1 1 A 46 46 LEU N N 46 119.755 121.552 -1.797 1
1 503 . 4 1 1 A 47 47 THR H H 47 8.846 8.335 0.511 1
1 504 . 4 1 1 A 47 47 THR HA H 47 4.681 4.792 -0.111 1
1 509 . 4 1 1 A 47 47 THR C C 47 176.869 175.364 1.505 1
1 510 . 4 1 1 A 47 47 THR CA C 47 60.326 59.705 0.621 1
1 511 . 4 1 1 A 47 47 THR CB C 47 70.720 71.058 -0.338 1
1 513 . 4 1 1 A 47 47 THR N N 47 109.908 114.076 -4.168 1
1 514 . 4 1 1 A 48 48 GLN H H 48 9.324 9.007 0.317 1
1 515 . 4 1 1 A 48 48 GLN HA H 48 3.708 4.040 -0.332 1
1 522 . 4 1 1 A 48 48 GLN C C 48 178.548 177.781 0.767 1
1 523 . 4 1 1 A 48 48 GLN CA C 48 60.839 58.968 1.871 1
1 524 . 4 1 1 A 48 48 GLN CB C 48 27.998 28.137 -0.139 1
1 526 . 4 1 1 A 48 48 GLN N N 48 120.589 126.532 -5.943 1
1 528 . 4 1 1 A 49 49 THR H H 49 8.172 7.599 0.573 1
1 529 . 4 1 1 A 49 49 THR HA H 49 3.908 4.252 -0.344 1
1 534 . 4 1 1 A 49 49 THR CA C 49 66.920 64.987 1.933 1
1 535 . 4 1 1 A 49 49 THR CB C 49 68.671 68.665 0.006 1
1 537 . 4 1 1 A 49 49 THR N N 49 115.925 116.188 -0.263 1
1 538 . 4 1 1 A 50 50 GLN H H 50 8.005 8.177 -0.172 1
1 539 . 4 1 1 A 50 50 GLN HA H 50 4.049 4.530 -0.481 1
1 546 . 4 1 1 A 50 50 GLN C C 50 180.191 178.013 2.178 1
1 547 . 4 1 1 A 50 50 GLN CA C 50 59.633 57.621 2.012 1
1 548 . 4 1 1 A 50 50 GLN CB C 50 28.965 29.916 -0.951 1
1 550 . 4 1 1 A 50 50 GLN N N 50 120.680 120.018 0.662 1
1 552 . 4 1 1 A 51 51 VAL H H 51 7.759 7.929 -0.170 1
1 553 . 4 1 1 A 51 51 VAL HA H 51 3.754 3.765 -0.011 1
1 561 . 4 1 1 A 51 51 VAL C C 51 176.534 178.172 -1.638 1
1 562 . 4 1 1 A 51 51 VAL CA C 51 67.618 66.541 1.077 1
1 563 . 4 1 1 A 51 51 VAL CB C 51 32.052 31.179 0.873 1
1 566 . 4 1 1 A 51 51 VAL N N 51 119.814 120.658 -0.844 1
1 567 . 4 1 1 A 52 52 LYS H H 52 8.504 7.564 0.940 1
1 568 . 4 1 1 A 52 52 LYS HA H 52 4.301 4.157 0.144 1
1 577 . 4 1 1 A 52 52 LYS C C 52 179.918 179.987 -0.069 1
1 578 . 4 1 1 A 52 52 LYS CA C 52 60.046 59.344 0.702 1
1 579 . 4 1 1 A 52 52 LYS CB C 52 33.392 32.487 0.905 1
1 583 . 4 1 1 A 52 52 LYS N N 52 121.422 119.772 1.650 1
1 584 . 4 1 1 A 53 53 ILE H H 53 8.775 8.123 0.652 1
1 585 . 4 1 1 A 53 53 ILE HA H 53 3.866 3.782 0.084 1
1 595 . 4 1 1 A 53 53 ILE C C 53 177.447 178.691 -1.244 1
1 596 . 4 1 1 A 53 53 ILE CA C 53 64.285 65.177 -0.892 1
1 597 . 4 1 1 A 53 53 ILE CB C 53 38.066 37.770 0.296 1
1 601 . 4 1 1 A 53 53 ILE N N 53 119.411 119.540 -0.129 1
1 602 . 4 1 1 A 54 54 TRP H H 54 8.052 8.022 0.030 1
1 603 . 4 1 1 A 54 54 TRP HA H 54 4.005 4.198 -0.193 1
1 612 . 4 1 1 A 54 54 TRP C C 54 179.712 178.295 1.417 1
1 613 . 4 1 1 A 54 54 TRP CA C 54 63.406 61.215 2.191 1
1 614 . 4 1 1 A 54 54 TRP CB C 54 28.935 29.376 -0.441 1
1 620 . 4 1 1 A 54 54 TRP N N 54 122.233 121.872 0.361 1
1 622 . 4 1 1 A 55 55 PHE H H 55 8.720 8.181 0.539 1
1 623 . 4 1 1 A 55 55 PHE HA H 55 3.786 4.345 -0.559 1
1 631 . 4 1 1 A 55 55 PHE C C 55 177.753 178.025 -0.272 1
1 632 . 4 1 1 A 55 55 PHE CA C 55 63.194 61.893 1.301 1
1 633 . 4 1 1 A 55 55 PHE CB C 55 39.739 38.568 1.171 1
1 639 . 4 1 1 A 55 55 PHE N N 55 118.671 118.499 0.172 1
1 640 . 4 1 1 A 56 56 GLN H H 56 8.294 8.302 -0.008 1
1 641 . 4 1 1 A 56 56 GLN HA H 56 3.952 4.091 -0.139 1
1 648 . 4 1 1 A 56 56 GLN C C 56 179.029 178.036 0.993 1
1 649 . 4 1 1 A 56 56 GLN CA C 56 59.414 58.952 0.462 1
1 650 . 4 1 1 A 56 56 GLN CB C 56 28.724 28.875 -0.151 1
1 652 . 4 1 1 A 56 56 GLN N N 56 118.357 119.166 -0.809 1
1 654 . 4 1 1 A 57 57 ASN H H 57 8.580 8.279 0.301 1
1 655 . 4 1 1 A 57 57 ASN HA H 57 4.315 4.284 0.031 1
1 660 . 4 1 1 A 57 57 ASN C C 57 177.717 177.766 -0.049 1
1 661 . 4 1 1 A 57 57 ASN CA C 57 55.541 56.287 -0.746 1
1 662 . 4 1 1 A 57 57 ASN CB C 57 37.796 37.627 0.169 1
1 663 . 4 1 1 A 57 57 ASN N N 57 118.858 117.147 1.711 1
1 665 . 4 1 1 A 58 58 LYS H H 58 7.761 7.496 0.265 1
1 666 . 4 1 1 A 58 58 LYS HA H 58 3.416 3.452 -0.036 1
1 675 . 4 1 1 A 58 58 LYS C C 58 178.937 178.597 0.340 1
1 676 . 4 1 1 A 58 58 LYS CA C 58 57.292 59.159 -1.867 1
1 677 . 4 1 1 A 58 58 LYS CB C 58 30.746 31.481 -0.735 1
1 681 . 4 1 1 A 58 58 LYS N N 58 122.418 120.518 1.900 1
1 682 . 4 1 1 A 59 59 ARG H H 59 7.965 8.057 -0.092 1
1 683 . 4 1 1 A 59 59 ARG HA H 59 4.078 4.132 -0.054 1
1 690 . 4 1 1 A 59 59 ARG C C 59 178.804 179.410 -0.606 1
1 691 . 4 1 1 A 59 59 ARG CA C 59 60.056 59.857 0.199 1
1 692 . 4 1 1 A 59 59 ARG CB C 59 31.573 29.960 1.613 1
1 695 . 4 1 1 A 59 59 ARG N N 59 116.992 119.238 -2.246 1
1 696 . 4 1 1 A 60 60 SER H H 60 7.733 7.672 0.061 1
1 697 . 4 1 1 A 60 60 SER HA H 60 4.308 4.137 0.171 1
1 700 . 4 1 1 A 60 60 SER C C 60 175.262 177.392 -2.130 1
1 701 . 4 1 1 A 60 60 SER CA C 60 60.550 61.520 -0.970 1
1 702 . 4 1 1 A 60 60 SER CB C 60 63.304 62.829 0.475 1
1 703 . 4 1 1 A 60 60 SER N N 60 113.717 115.261 -1.544 1
1 704 . 4 1 1 A 61 61 LYS H H 61 7.622 7.543 0.079 1
1 705 . 4 1 1 A 61 61 LYS HA H 61 4.218 4.100 0.118 1
1 714 . 4 1 1 A 61 61 LYS C C 61 177.402 177.599 -0.197 1
1 715 . 4 1 1 A 61 61 LYS CA C 61 56.989 58.645 -1.656 1
1 716 . 4 1 1 A 61 61 LYS CB C 61 32.486 31.460 1.026 1
1 720 . 4 1 1 A 61 61 LYS N N 61 121.107 119.862 1.245 1
1 721 . 4 1 1 A 62 62 ILE H H 62 7.632 7.271 0.361 1
1 722 . 4 1 1 A 62 62 ILE HA H 62 4.074 3.981 0.093 1
1 732 . 4 1 1 A 62 62 ILE C C 62 176.614 175.545 1.069 1
1 733 . 4 1 1 A 62 62 ILE CA C 62 61.960 62.247 -0.287 1
1 734 . 4 1 1 A 62 62 ILE CB C 62 38.231 37.964 0.267 1
1 738 . 4 1 1 A 62 62 ILE N N 62 119.268 121.703 -2.435 1
1 739 . 4 1 1 A 63 63 LYS H H 63 8.100 8.229 -0.129 1
1 740 . 4 1 1 A 63 63 LYS HA H 63 4.304 4.651 -0.347 1
1 747 . 4 1 1 A 63 63 LYS C C 63 176.623 176.149 0.474 1
1 748 . 4 1 1 A 63 63 LYS CA C 63 56.672 55.737 0.935 1
1 749 . 4 1 1 A 63 63 LYS CB C 63 32.898 33.575 -0.677 1
1 753 . 4 1 1 A 63 63 LYS N N 63 124.673 126.078 -1.405 1
1 754 . 4 1 1 A 64 64 LYS H H 64 8.272 8.411 -0.139 1
1 755 . 4 1 1 A 64 64 LYS C C 64 176.619 175.784 0.835 1
1 756 . 4 1 1 A 64 64 LYS CA C 64 56.531 56.625 -0.094 1
1 757 . 4 1 1 A 64 64 LYS CB C 64 33.017 32.614 0.403 1
1 758 . 4 1 1 A 64 64 LYS N N 64 122.722 121.323 1.399 1
1 759 . 4 1 1 A 65 65 SER HA H 65 4.533 4.728 -0.195 1
1 762 . 4 1 1 A 65 65 SER C C 65 174.501 173.704 0.797 1
1 763 . 4 1 1 A 65 65 SER CA C 65 58.364 58.758 -0.394 1
1 764 . 4 1 1 A 65 65 SER CB C 65 64.210 63.609 0.601 1
1 765 . 4 1 1 A 66 66 GLY H H 66 8.264 8.484 -0.220 1
1 766 . 4 1 1 A 66 66 GLY C C 66 171.884 173.940 -2.056 1
1 767 . 4 1 1 A 66 66 GLY CA C 66 44.719 44.844 -0.125 1
1 768 . 4 1 1 A 66 66 GLY N N 66 110.727 113.337 -2.610 1
1 772 . 4 1 1 A 67 67 PRO CA C 67 63.385 64.837 -1.452 1
1 773 . 4 1 1 A 67 67 PRO CB C 67 32.419 32.003 0.416 1
1 1 . 5 1 1 A 8 8 ARG HA H 8 4.360 4.724 -0.364 1
1 8 . 5 1 1 A 8 8 ARG C C 8 176.260 174.841 1.419 1
1 9 . 5 1 1 A 8 8 ARG CA C 8 55.966 55.027 0.939 1
1 10 . 5 1 1 A 8 8 ARG CB C 8 30.838 30.885 -0.047 1
1 13 . 5 1 1 A 9 9 LYS H H 9 8.400 8.279 0.121 1
1 14 . 5 1 1 A 9 9 LYS C C 9 174.555 176.260 -1.705 1
1 15 . 5 1 1 A 9 9 LYS CA C 9 54.274 53.223 1.051 1
1 16 . 5 1 1 A 9 9 LYS CB C 9 32.440 35.063 -2.623 1
1 17 . 5 1 1 A 9 9 LYS N N 9 124.470 125.254 -0.784 1
1 18 . 5 1 1 A 10 10 PRO HA H 10 4.441 4.490 -0.049 1
1 25 . 5 1 1 A 10 10 PRO C C 10 176.789 176.004 0.785 1
1 26 . 5 1 1 A 10 10 PRO CA C 10 63.088 64.122 -1.034 1
1 27 . 5 1 1 A 10 10 PRO CB C 10 32.156 31.776 0.380 1
1 30 . 5 1 1 A 11 11 ARG H H 11 8.471 7.609 0.862 1
1 31 . 5 1 1 A 11 11 ARG HA H 11 4.370 4.922 -0.552 1
1 36 . 5 1 1 A 11 11 ARG C C 11 176.400 175.238 1.162 1
1 37 . 5 1 1 A 11 11 ARG CA C 11 56.439 55.039 1.400 1
1 38 . 5 1 1 A 11 11 ARG CB C 11 30.710 33.060 -2.350 1
1 40 . 5 1 1 A 11 11 ARG N N 11 121.881 117.864 4.017 1
1 41 . 5 1 1 A 12 12 THR HA H 12 4.270 4.578 -0.308 1
1 46 . 5 1 1 A 12 12 THR C C 12 173.737 176.283 -2.546 1
1 47 . 5 1 1 A 12 12 THR CA C 12 62.101 62.927 -0.826 1
1 48 . 5 1 1 A 12 12 THR CB C 12 69.896 69.814 0.082 1
1 50 . 5 1 1 A 13 13 ILE H H 13 8.215 8.645 -0.430 1
1 51 . 5 1 1 A 13 13 ILE HA H 13 4.063 3.855 0.208 1
1 61 . 5 1 1 A 13 13 ILE C C 13 175.361 175.838 -0.477 1
1 62 . 5 1 1 A 13 13 ILE CA C 13 61.109 63.727 -2.618 1
1 63 . 5 1 1 A 13 13 ILE CB C 13 38.748 38.079 0.669 1
1 67 . 5 1 1 A 13 13 ILE N N 13 124.648 124.163 0.485 1
1 68 . 5 1 1 A 14 14 TYR H H 14 7.928 7.815 0.113 1
1 69 . 5 1 1 A 14 14 TYR HA H 14 4.923 5.279 -0.356 1
1 76 . 5 1 1 A 14 14 TYR C C 14 176.009 175.308 0.701 1
1 77 . 5 1 1 A 14 14 TYR CA C 14 56.425 56.796 -0.371 1
1 78 . 5 1 1 A 14 14 TYR CB C 14 39.984 42.682 -2.698 1
1 83 . 5 1 1 A 14 14 TYR N N 14 122.287 119.957 2.330 1
1 84 . 5 1 1 A 15 15 SER H H 15 9.368 8.887 0.481 1
1 85 . 5 1 1 A 15 15 SER HA H 15 4.639 4.588 0.051 1
1 88 . 5 1 1 A 15 15 SER C C 15 175.065 176.051 -0.986 1
1 89 . 5 1 1 A 15 15 SER CA C 15 56.918 58.483 -1.565 1
1 90 . 5 1 1 A 15 15 SER CB C 15 65.646 64.093 1.553 1
1 91 . 5 1 1 A 15 15 SER N N 15 119.482 121.501 -2.019 1
1 92 . 5 1 1 A 16 16 SER HA H 16 4.181 4.131 0.050 1
1 95 . 5 1 1 A 16 16 SER CA C 16 62.192 62.017 0.175 1
1 96 . 5 1 1 A 16 16 SER CB C 16 62.188 62.502 -0.314 1
1 97 . 5 1 1 A 17 17 PHE H H 17 7.815 8.232 -0.417 1
1 98 . 5 1 1 A 17 17 PHE HA H 17 4.313 4.123 0.190 1
1 106 . 5 1 1 A 17 17 PHE C C 17 177.979 178.021 -0.042 1
1 107 . 5 1 1 A 17 17 PHE CA C 17 60.981 61.328 -0.347 1
1 108 . 5 1 1 A 17 17 PHE CB C 17 39.519 39.188 0.331 1
1 114 . 5 1 1 A 17 17 PHE N N 17 119.320 123.779 -4.459 1
1 115 . 5 1 1 A 18 18 GLN H H 18 7.816 8.310 -0.494 1
1 116 . 5 1 1 A 18 18 GLN HA H 18 3.720 3.903 -0.183 1
1 123 . 5 1 1 A 18 18 GLN C C 18 177.456 179.069 -1.613 1
1 124 . 5 1 1 A 18 18 GLN CA C 18 58.902 58.862 0.040 1
1 125 . 5 1 1 A 18 18 GLN CB C 18 28.118 28.495 -0.377 1
1 127 . 5 1 1 A 18 18 GLN N N 18 119.339 118.218 1.121 1
1 129 . 5 1 1 A 19 19 LEU H H 19 8.583 8.456 0.127 1
1 130 . 5 1 1 A 19 19 LEU HA H 19 3.570 3.782 -0.212 1
1 140 . 5 1 1 A 19 19 LEU C C 19 178.761 178.658 0.103 1
1 141 . 5 1 1 A 19 19 LEU CA C 19 57.837 57.861 -0.024 1
1 142 . 5 1 1 A 19 19 LEU CB C 19 41.883 42.149 -0.266 1
1 146 . 5 1 1 A 19 19 LEU N N 19 117.368 120.893 -3.525 1
1 147 . 5 1 1 A 20 20 ALA H H 20 7.918 8.770 -0.852 1
1 148 . 5 1 1 A 20 20 ALA HA H 20 4.019 4.003 0.016 1
1 152 . 5 1 1 A 20 20 ALA C C 20 180.256 179.745 0.511 1
1 153 . 5 1 1 A 20 20 ALA CA C 20 54.944 55.744 -0.800 1
1 154 . 5 1 1 A 20 20 ALA CB C 20 17.731 18.706 -0.975 1
1 155 . 5 1 1 A 20 20 ALA N N 20 120.010 120.900 -0.890 1
1 156 . 5 1 1 A 21 21 ALA H H 21 7.313 7.255 0.058 1
1 157 . 5 1 1 A 21 21 ALA HA H 21 3.945 3.997 -0.052 1
1 161 . 5 1 1 A 21 21 ALA C C 21 181.088 179.366 1.722 1
1 162 . 5 1 1 A 21 21 ALA CA C 21 54.749 54.878 -0.129 1
1 163 . 5 1 1 A 21 21 ALA CB C 21 19.723 18.224 1.499 1
1 164 . 5 1 1 A 21 21 ALA N N 21 120.493 120.447 0.046 1
1 165 . 5 1 1 A 22 22 LEU H H 22 8.049 7.999 0.050 1
1 166 . 5 1 1 A 22 22 LEU HA H 22 3.507 3.608 -0.101 1
1 176 . 5 1 1 A 22 22 LEU C C 22 177.768 178.576 -0.808 1
1 177 . 5 1 1 A 22 22 LEU CA C 22 58.418 57.507 0.911 1
1 178 . 5 1 1 A 22 22 LEU CB C 22 38.280 40.793 -2.513 1
1 182 . 5 1 1 A 22 22 LEU N N 22 121.618 118.318 3.300 1
1 183 . 5 1 1 A 23 23 GLN H H 23 8.047 8.290 -0.243 1
1 184 . 5 1 1 A 23 23 GLN HA H 23 4.042 4.153 -0.111 1
1 191 . 5 1 1 A 23 23 GLN C C 23 178.945 178.790 0.155 1
1 192 . 5 1 1 A 23 23 GLN CA C 23 59.172 59.316 -0.144 1
1 193 . 5 1 1 A 23 23 GLN CB C 23 28.225 28.273 -0.048 1
1 195 . 5 1 1 A 23 23 GLN N N 23 117.012 116.952 0.060 1
1 197 . 5 1 1 A 24 24 ARG H H 24 7.956 7.733 0.223 1
1 198 . 5 1 1 A 24 24 ARG HA H 24 4.098 4.001 0.097 1
1 205 . 5 1 1 A 24 24 ARG C C 24 179.440 178.399 1.041 1
1 206 . 5 1 1 A 24 24 ARG CA C 24 59.443 58.910 0.533 1
1 207 . 5 1 1 A 24 24 ARG CB C 24 30.290 29.935 0.355 1
1 210 . 5 1 1 A 24 24 ARG N N 24 118.511 120.307 -1.796 1
1 211 . 5 1 1 A 25 25 ARG H H 25 7.768 7.794 -0.026 1
1 212 . 5 1 1 A 25 25 ARG HA H 25 4.380 4.142 0.238 1
1 219 . 5 1 1 A 25 25 ARG C C 25 177.933 178.463 -0.530 1
1 220 . 5 1 1 A 25 25 ARG CA C 25 56.993 58.811 -1.818 1
1 221 . 5 1 1 A 25 25 ARG CB C 25 28.118 29.972 -1.854 1
1 224 . 5 1 1 A 25 25 ARG N N 25 119.018 119.200 -0.182 1
1 225 . 5 1 1 A 26 26 PHE H H 26 8.739 8.173 0.566 1
1 226 . 5 1 1 A 26 26 PHE HA H 26 4.680 4.147 0.533 1
1 234 . 5 1 1 A 26 26 PHE C C 26 175.842 177.772 -1.930 1
1 235 . 5 1 1 A 26 26 PHE CA C 26 60.339 61.988 -1.649 1
1 236 . 5 1 1 A 26 26 PHE CB C 26 39.477 39.307 0.170 1
1 242 . 5 1 1 A 26 26 PHE N N 26 121.838 120.515 1.323 1
1 243 . 5 1 1 A 27 27 GLN H H 27 7.712 8.198 -0.486 1
1 244 . 5 1 1 A 27 27 GLN HA H 27 3.979 3.870 0.109 1
1 251 . 5 1 1 A 27 27 GLN C C 27 177.336 178.101 -0.765 1
1 252 . 5 1 1 A 27 27 GLN CA C 27 57.877 58.709 -0.832 1
1 253 . 5 1 1 A 27 27 GLN CB C 27 28.809 28.216 0.593 1
1 255 . 5 1 1 A 27 27 GLN N N 27 113.533 117.455 -3.922 1
1 257 . 5 1 1 A 28 28 LYS H H 28 7.469 7.518 -0.049 1
1 258 . 5 1 1 A 28 28 LYS HA H 28 4.316 4.136 0.180 1
1 267 . 5 1 1 A 28 28 LYS C C 28 177.011 176.701 0.310 1
1 268 . 5 1 1 A 28 28 LYS CA C 28 57.805 58.940 -1.135 1
1 269 . 5 1 1 A 28 28 LYS CB C 28 33.639 32.742 0.897 1
1 273 . 5 1 1 A 28 28 LYS N N 28 117.851 117.953 -0.102 1
1 274 . 5 1 1 A 29 29 THR H H 29 8.373 7.720 0.653 1
1 275 . 5 1 1 A 29 29 THR HA H 29 4.457 4.605 -0.148 1
1 280 . 5 1 1 A 29 29 THR C C 29 171.650 174.134 -2.484 1
1 281 . 5 1 1 A 29 29 THR CA C 29 59.598 60.251 -0.653 1
1 282 . 5 1 1 A 29 29 THR CB C 29 70.546 70.908 -0.362 1
1 284 . 5 1 1 A 29 29 THR N N 29 113.944 109.612 4.332 1
1 285 . 5 1 1 A 30 30 GLN H H 30 8.210 8.520 -0.310 1
1 286 . 5 1 1 A 30 30 GLN HA H 30 3.863 4.284 -0.421 1
1 293 . 5 1 1 A 30 30 GLN C C 30 174.111 175.811 -1.700 1
1 294 . 5 1 1 A 30 30 GLN CA C 30 56.868 58.644 -1.776 1
1 295 . 5 1 1 A 30 30 GLN CB C 30 27.841 29.616 -1.775 1
1 297 . 5 1 1 A 30 30 GLN N N 30 121.138 125.149 -4.011 1
1 299 . 5 1 1 A 31 31 TYR H H 31 7.532 7.687 -0.155 1
1 300 . 5 1 1 A 31 31 TYR HA H 31 4.700 5.235 -0.535 1
1 307 . 5 1 1 A 31 31 TYR C C 31 174.485 175.040 -0.555 1
1 308 . 5 1 1 A 31 31 TYR CA C 31 56.954 57.220 -0.266 1
1 309 . 5 1 1 A 31 31 TYR CB C 31 41.374 41.152 0.222 1
1 314 . 5 1 1 A 31 31 TYR N N 31 114.987 116.570 -1.583 1
1 315 . 5 1 1 A 32 32 LEU H H 32 8.382 8.726 -0.344 1
1 316 . 5 1 1 A 32 32 LEU HA H 32 4.486 4.919 -0.433 1
1 326 . 5 1 1 A 32 32 LEU C C 32 176.526 176.429 0.097 1
1 327 . 5 1 1 A 32 32 LEU CA C 32 53.216 53.229 -0.013 1
1 328 . 5 1 1 A 32 32 LEU CB C 32 44.134 45.147 -1.013 1
1 332 . 5 1 1 A 32 32 LEU N N 32 123.429 121.529 1.900 1
1 333 . 5 1 1 A 33 33 ALA H H 33 8.805 8.844 -0.039 1
1 334 . 5 1 1 A 33 33 ALA HA H 33 4.469 4.395 0.074 1
1 338 . 5 1 1 A 33 33 ALA C C 33 178.230 177.686 0.544 1
1 339 . 5 1 1 A 33 33 ALA CA C 33 51.183 52.022 -0.839 1
1 340 . 5 1 1 A 33 33 ALA CB C 33 19.852 20.172 -0.320 1
1 341 . 5 1 1 A 33 33 ALA N N 33 126.131 125.894 0.237 1
1 342 . 5 1 1 A 34 34 LEU H H 34 8.898 8.738 0.160 1
1 343 . 5 1 1 A 34 34 LEU HA H 34 4.088 4.052 0.036 1
1 353 . 5 1 1 A 34 34 LEU C C 34 178.245 175.461 2.784 1
1 354 . 5 1 1 A 34 34 LEU CA C 34 60.712 59.515 1.197 1
1 355 . 5 1 1 A 34 34 LEU CB C 34 39.135 40.591 -1.456 1
1 359 . 5 1 1 A 34 34 LEU N N 34 122.061 120.574 1.487 1
1 360 . 5 1 1 A 35 35 PRO HA H 35 4.378 4.341 0.037 1
1 367 . 5 1 1 A 35 35 PRO C C 35 179.888 179.157 0.731 1
1 368 . 5 1 1 A 35 35 PRO CA C 35 65.894 65.281 0.613 1
1 369 . 5 1 1 A 35 35 PRO CB C 35 30.618 30.921 -0.303 1
1 372 . 5 1 1 A 36 36 GLU H H 36 6.984 8.451 -1.467 1
1 373 . 5 1 1 A 36 36 GLU HA H 36 4.192 4.034 0.158 1
1 378 . 5 1 1 A 36 36 GLU C C 36 179.230 179.430 -0.200 1
1 379 . 5 1 1 A 36 36 GLU CA C 36 58.631 59.913 -1.282 1
1 380 . 5 1 1 A 36 36 GLU CB C 36 30.290 28.969 1.321 1
1 382 . 5 1 1 A 36 36 GLU N N 36 116.910 118.153 -1.243 1
1 383 . 5 1 1 A 37 37 ARG H H 37 8.489 8.188 0.301 1
1 384 . 5 1 1 A 37 37 ARG HA H 37 3.741 3.950 -0.209 1
1 391 . 5 1 1 A 37 37 ARG C C 37 177.835 178.316 -0.481 1
1 392 . 5 1 1 A 37 37 ARG CA C 37 60.076 58.713 1.363 1
1 393 . 5 1 1 A 37 37 ARG CB C 37 30.775 29.542 1.233 1
1 396 . 5 1 1 A 37 37 ARG N N 37 121.545 120.487 1.058 1
1 397 . 5 1 1 A 38 38 ALA H H 38 8.308 7.850 0.458 1
1 398 . 5 1 1 A 38 38 ALA HA H 38 3.941 4.024 -0.083 1
1 402 . 5 1 1 A 38 38 ALA C C 38 180.311 179.382 0.929 1
1 403 . 5 1 1 A 38 38 ALA CA C 38 55.446 55.100 0.346 1
1 404 . 5 1 1 A 38 38 ALA CB C 38 18.082 18.276 -0.194 1
1 405 . 5 1 1 A 38 38 ALA N N 38 120.571 121.484 -0.913 1
1 406 . 5 1 1 A 39 39 GLU H H 39 7.819 7.864 -0.045 1
1 407 . 5 1 1 A 39 39 GLU HA H 39 4.125 4.062 0.063 1
1 412 . 5 1 1 A 39 39 GLU C C 39 178.851 179.243 -0.392 1
1 413 . 5 1 1 A 39 39 GLU CA C 39 59.257 59.401 -0.144 1
1 414 . 5 1 1 A 39 39 GLU CB C 39 29.806 29.332 0.474 1
1 416 . 5 1 1 A 39 39 GLU N N 39 119.614 119.059 0.555 1
1 417 . 5 1 1 A 40 40 LEU H H 40 8.251 8.237 0.014 1
1 418 . 5 1 1 A 40 40 LEU HA H 40 4.149 4.023 0.126 1
1 428 . 5 1 1 A 40 40 LEU C C 40 178.939 179.369 -0.430 1
1 429 . 5 1 1 A 40 40 LEU CA C 40 57.625 57.786 -0.161 1
1 430 . 5 1 1 A 40 40 LEU CB C 40 42.239 40.899 1.340 1
1 434 . 5 1 1 A 40 40 LEU N N 40 121.912 120.258 1.654 1
1 435 . 5 1 1 A 41 41 ALA H H 41 8.449 7.542 0.907 1
1 436 . 5 1 1 A 41 41 ALA HA H 41 3.629 4.109 -0.480 1
1 440 . 5 1 1 A 41 41 ALA C C 41 179.199 179.535 -0.336 1
1 441 . 5 1 1 A 41 41 ALA CA C 41 56.202 54.969 1.233 1
1 442 . 5 1 1 A 41 41 ALA CB C 41 17.819 18.243 -0.424 1
1 443 . 5 1 1 A 41 41 ALA N N 41 120.020 122.144 -2.124 1
1 444 . 5 1 1 A 42 42 ALA H H 42 7.800 7.843 -0.043 1
1 445 . 5 1 1 A 42 42 ALA HA H 42 4.240 4.207 0.033 1
1 449 . 5 1 1 A 42 42 ALA C C 42 181.146 179.202 1.944 1
1 450 . 5 1 1 A 42 42 ALA CA C 42 54.991 55.110 -0.119 1
1 451 . 5 1 1 A 42 42 ALA CB C 42 17.983 18.714 -0.731 1
1 452 . 5 1 1 A 42 42 ALA N N 42 118.414 120.253 -1.839 1
1 453 . 5 1 1 A 43 43 SER H H 43 8.172 8.421 -0.249 1
1 454 . 5 1 1 A 43 43 SER HA H 43 4.314 4.195 0.119 1
1 457 . 5 1 1 A 43 43 SER C C 43 175.817 176.334 -0.517 1
1 458 . 5 1 1 A 43 43 SER CA C 43 61.138 62.451 -1.313 1
1 459 . 5 1 1 A 43 43 SER CB C 43 63.341 63.224 0.117 1
1 460 . 5 1 1 A 43 43 SER N N 43 113.508 114.159 -0.651 1
1 461 . 5 1 1 A 44 44 LEU H H 44 7.701 7.745 -0.044 1
1 462 . 5 1 1 A 44 44 LEU HA H 44 4.662 4.462 0.200 1
1 472 . 5 1 1 A 44 44 LEU C C 44 177.588 177.006 0.582 1
1 473 . 5 1 1 A 44 44 LEU CA C 44 54.556 55.543 -0.987 1
1 474 . 5 1 1 A 44 44 LEU CB C 44 44.134 42.575 1.559 1
1 478 . 5 1 1 A 44 44 LEU N N 44 117.384 118.522 -1.138 1
1 479 . 5 1 1 A 45 45 GLY H H 45 7.971 8.306 -0.335 1
1 480 . 5 1 1 A 45 45 GLY HA2 H 45 4.130 3.949 0.181 1
1 481 . 5 1 1 A 45 45 GLY HA3 H 45 3.991 3.958 0.033 1
1 482 . 5 1 1 A 45 45 GLY C C 45 174.538 174.392 0.146 1
1 483 . 5 1 1 A 45 45 GLY CA C 45 46.623 46.061 0.562 1
1 484 . 5 1 1 A 45 45 GLY N N 45 110.156 107.583 2.573 1
1 485 . 5 1 1 A 46 46 LEU H H 46 8.012 7.844 0.168 1
1 486 . 5 1 1 A 46 46 LEU HA H 46 4.914 4.838 0.076 1
1 496 . 5 1 1 A 46 46 LEU C C 46 176.613 175.351 1.262 1
1 497 . 5 1 1 A 46 46 LEU CA C 46 52.652 53.317 -0.665 1
1 498 . 5 1 1 A 46 46 LEU CB C 46 46.882 43.476 3.406 1
1 502 . 5 1 1 A 46 46 LEU N N 46 119.755 120.977 -1.222 1
1 503 . 5 1 1 A 47 47 THR H H 47 8.846 8.350 0.496 1
1 504 . 5 1 1 A 47 47 THR HA H 47 4.681 4.840 -0.159 1
1 509 . 5 1 1 A 47 47 THR C C 47 176.869 175.526 1.343 1
1 510 . 5 1 1 A 47 47 THR CA C 47 60.326 59.631 0.695 1
1 511 . 5 1 1 A 47 47 THR CB C 47 70.720 70.960 -0.240 1
1 513 . 5 1 1 A 47 47 THR N N 47 109.908 114.120 -4.212 1
1 514 . 5 1 1 A 48 48 GLN H H 48 9.324 9.011 0.313 1
1 515 . 5 1 1 A 48 48 GLN HA H 48 3.708 3.963 -0.255 1
1 522 . 5 1 1 A 48 48 GLN C C 48 178.548 177.915 0.633 1
1 523 . 5 1 1 A 48 48 GLN CA C 48 60.839 59.172 1.667 1
1 524 . 5 1 1 A 48 48 GLN CB C 48 27.998 28.185 -0.187 1
1 526 . 5 1 1 A 48 48 GLN N N 48 120.589 127.386 -6.797 1
1 528 . 5 1 1 A 49 49 THR H H 49 8.172 7.319 0.853 1
1 529 . 5 1 1 A 49 49 THR HA H 49 3.908 4.111 -0.203 1
1 534 . 5 1 1 A 49 49 THR CA C 49 66.920 65.503 1.417 1
1 535 . 5 1 1 A 49 49 THR CB C 49 68.671 68.608 0.063 1
1 537 . 5 1 1 A 49 49 THR N N 49 115.925 117.292 -1.367 1
1 538 . 5 1 1 A 50 50 GLN H H 50 8.005 8.250 -0.245 1
1 539 . 5 1 1 A 50 50 GLN HA H 50 4.049 4.481 -0.432 1
1 546 . 5 1 1 A 50 50 GLN C C 50 180.191 178.122 2.069 1
1 547 . 5 1 1 A 50 50 GLN CA C 50 59.633 57.799 1.834 1
1 548 . 5 1 1 A 50 50 GLN CB C 50 28.965 29.725 -0.760 1
1 550 . 5 1 1 A 50 50 GLN N N 50 120.680 120.227 0.453 1
1 552 . 5 1 1 A 51 51 VAL H H 51 7.759 7.913 -0.154 1
1 553 . 5 1 1 A 51 51 VAL HA H 51 3.754 3.793 -0.039 1
1 561 . 5 1 1 A 51 51 VAL C C 51 176.534 178.223 -1.689 1
1 562 . 5 1 1 A 51 51 VAL CA C 51 67.618 66.660 0.958 1
1 563 . 5 1 1 A 51 51 VAL CB C 51 32.052 31.337 0.715 1
1 566 . 5 1 1 A 51 51 VAL N N 51 119.814 120.402 -0.588 1
1 567 . 5 1 1 A 52 52 LYS H H 52 8.504 7.788 0.716 1
1 568 . 5 1 1 A 52 52 LYS HA H 52 4.301 4.022 0.279 1
1 577 . 5 1 1 A 52 52 LYS C C 52 179.918 179.696 0.222 1
1 578 . 5 1 1 A 52 52 LYS CA C 52 60.046 59.622 0.424 1
1 579 . 5 1 1 A 52 52 LYS CB C 52 33.392 32.259 1.133 1
1 583 . 5 1 1 A 52 52 LYS N N 52 121.422 118.943 2.479 1
1 584 . 5 1 1 A 53 53 ILE H H 53 8.775 8.067 0.708 1
1 585 . 5 1 1 A 53 53 ILE HA H 53 3.866 3.756 0.110 1
1 595 . 5 1 1 A 53 53 ILE C C 53 177.447 178.445 -0.998 1
1 596 . 5 1 1 A 53 53 ILE CA C 53 64.285 65.093 -0.808 1
1 597 . 5 1 1 A 53 53 ILE CB C 53 38.066 37.839 0.227 1
1 601 . 5 1 1 A 53 53 ILE N N 53 119.411 119.643 -0.232 1
1 602 . 5 1 1 A 54 54 TRP H H 54 8.052 8.094 -0.042 1
1 603 . 5 1 1 A 54 54 TRP HA H 54 4.005 4.073 -0.068 1
1 612 . 5 1 1 A 54 54 TRP C C 54 179.712 178.407 1.305 1
1 613 . 5 1 1 A 54 54 TRP CA C 54 63.406 61.197 2.209 1
1 614 . 5 1 1 A 54 54 TRP CB C 54 28.935 29.432 -0.497 1
1 620 . 5 1 1 A 54 54 TRP N N 54 122.233 121.496 0.737 1
1 622 . 5 1 1 A 55 55 PHE H H 55 8.720 8.039 0.681 1
1 623 . 5 1 1 A 55 55 PHE HA H 55 3.786 4.404 -0.618 1
1 631 . 5 1 1 A 55 55 PHE C C 55 177.753 178.100 -0.347 1
1 632 . 5 1 1 A 55 55 PHE CA C 55 63.194 61.724 1.470 1
1 633 . 5 1 1 A 55 55 PHE CB C 55 39.739 38.999 0.740 1
1 639 . 5 1 1 A 55 55 PHE N N 55 118.671 117.370 1.301 1
1 640 . 5 1 1 A 56 56 GLN H H 56 8.294 8.391 -0.097 1
1 641 . 5 1 1 A 56 56 GLN HA H 56 3.952 3.923 0.029 1
1 648 . 5 1 1 A 56 56 GLN C C 56 179.029 177.895 1.134 1
1 649 . 5 1 1 A 56 56 GLN CA C 56 59.414 58.783 0.631 1
1 650 . 5 1 1 A 56 56 GLN CB C 56 28.724 28.560 0.164 1
1 652 . 5 1 1 A 56 56 GLN N N 56 118.357 119.794 -1.437 1
1 654 . 5 1 1 A 57 57 ASN H H 57 8.580 8.379 0.201 1
1 655 . 5 1 1 A 57 57 ASN HA H 57 4.315 4.286 0.029 1
1 660 . 5 1 1 A 57 57 ASN C C 57 177.717 177.356 0.361 1
1 661 . 5 1 1 A 57 57 ASN CA C 57 55.541 56.408 -0.867 1
1 662 . 5 1 1 A 57 57 ASN CB C 57 37.796 38.042 -0.246 1
1 663 . 5 1 1 A 57 57 ASN N N 57 118.858 117.804 1.054 1
1 665 . 5 1 1 A 58 58 LYS H H 58 7.761 7.201 0.560 1
1 666 . 5 1 1 A 58 58 LYS HA H 58 3.416 3.510 -0.094 1
1 675 . 5 1 1 A 58 58 LYS C C 58 178.937 178.768 0.169 1
1 676 . 5 1 1 A 58 58 LYS CA C 58 57.292 59.621 -2.329 1
1 677 . 5 1 1 A 58 58 LYS CB C 58 30.746 31.543 -0.797 1
1 681 . 5 1 1 A 58 58 LYS N N 58 122.418 119.259 3.159 1
1 682 . 5 1 1 A 59 59 ARG H H 59 7.965 8.014 -0.049 1
1 683 . 5 1 1 A 59 59 ARG HA H 59 4.078 4.121 -0.043 1
1 690 . 5 1 1 A 59 59 ARG C C 59 178.804 178.761 0.043 1
1 691 . 5 1 1 A 59 59 ARG CA C 59 60.056 59.835 0.221 1
1 692 . 5 1 1 A 59 59 ARG CB C 59 31.573 29.791 1.782 1
1 695 . 5 1 1 A 59 59 ARG N N 59 116.992 119.071 -2.079 1
1 696 . 5 1 1 A 60 60 SER H H 60 7.733 8.524 -0.791 1
1 697 . 5 1 1 A 60 60 SER HA H 60 4.308 4.109 0.199 1
1 700 . 5 1 1 A 60 60 SER C C 60 175.262 176.774 -1.512 1
1 701 . 5 1 1 A 60 60 SER CA C 60 60.550 61.358 -0.808 1
1 702 . 5 1 1 A 60 60 SER CB C 60 63.304 62.247 1.057 1
1 703 . 5 1 1 A 60 60 SER N N 60 113.717 113.984 -0.267 1
1 704 . 5 1 1 A 61 61 LYS H H 61 7.622 7.718 -0.096 1
1 705 . 5 1 1 A 61 61 LYS HA H 61 4.218 4.003 0.215 1
1 714 . 5 1 1 A 61 61 LYS C C 61 177.402 177.505 -0.103 1
1 715 . 5 1 1 A 61 61 LYS CA C 61 56.989 59.002 -2.013 1
1 716 . 5 1 1 A 61 61 LYS CB C 61 32.486 31.823 0.663 1
1 720 . 5 1 1 A 61 61 LYS N N 61 121.107 121.337 -0.230 1
1 721 . 5 1 1 A 62 62 ILE H H 62 7.632 7.414 0.218 1
1 722 . 5 1 1 A 62 62 ILE HA H 62 4.074 4.051 0.023 1
1 732 . 5 1 1 A 62 62 ILE C C 62 176.614 178.176 -1.562 1
1 733 . 5 1 1 A 62 62 ILE CA C 62 61.960 62.468 -0.508 1
1 734 . 5 1 1 A 62 62 ILE CB C 62 38.231 38.125 0.106 1
1 738 . 5 1 1 A 62 62 ILE N N 62 119.268 118.243 1.025 1
1 739 . 5 1 1 A 63 63 LYS H H 63 8.100 8.449 -0.349 1
1 740 . 5 1 1 A 63 63 LYS HA H 63 4.304 4.057 0.247 1
1 747 . 5 1 1 A 63 63 LYS C C 63 176.623 177.193 -0.570 1
1 748 . 5 1 1 A 63 63 LYS CA C 63 56.672 59.199 -2.527 1
1 749 . 5 1 1 A 63 63 LYS CB C 63 32.898 31.970 0.928 1
1 753 . 5 1 1 A 63 63 LYS N N 63 124.673 127.510 -2.837 1
1 754 . 5 1 1 A 64 64 LYS H H 64 8.272 7.770 0.502 1
1 755 . 5 1 1 A 64 64 LYS C C 64 176.619 175.974 0.645 1
1 756 . 5 1 1 A 64 64 LYS CA C 64 56.531 56.714 -0.183 1
1 757 . 5 1 1 A 64 64 LYS CB C 64 33.017 32.852 0.165 1
1 758 . 5 1 1 A 64 64 LYS N N 64 122.722 121.084 1.638 1
1 759 . 5 1 1 A 65 65 SER HA H 65 4.533 5.034 -0.501 1
1 762 . 5 1 1 A 65 65 SER C C 65 174.501 174.172 0.329 1
1 763 . 5 1 1 A 65 65 SER CA C 65 58.364 57.938 0.426 1
1 764 . 5 1 1 A 65 65 SER CB C 65 64.210 64.517 -0.307 1
1 765 . 5 1 1 A 66 66 GLY H H 66 8.264 8.511 -0.247 1
1 766 . 5 1 1 A 66 66 GLY C C 66 171.884 172.707 -0.823 1
1 767 . 5 1 1 A 66 66 GLY CA C 66 44.719 43.831 0.888 1
1 768 . 5 1 1 A 66 66 GLY N N 66 110.727 112.203 -1.476 1
1 772 . 5 1 1 A 67 67 PRO CA C 67 63.385 62.843 0.542 1
1 773 . 5 1 1 A 67 67 PRO CB C 67 32.419 31.356 1.063 1
1 1 . 6 1 1 A 8 8 ARG HA H 8 4.360 4.643 -0.283 1
1 8 . 6 1 1 A 8 8 ARG C C 8 176.260 175.288 0.972 1
1 9 . 6 1 1 A 8 8 ARG CA C 8 55.966 54.872 1.094 1
1 10 . 6 1 1 A 8 8 ARG CB C 8 30.838 31.312 -0.474 1
1 13 . 6 1 1 A 9 9 LYS H H 9 8.400 8.676 -0.276 1
1 14 . 6 1 1 A 9 9 LYS C C 9 174.555 174.038 0.517 1
1 15 . 6 1 1 A 9 9 LYS CA C 9 54.274 52.744 1.530 1
1 16 . 6 1 1 A 9 9 LYS CB C 9 32.440 34.306 -1.866 1
1 17 . 6 1 1 A 9 9 LYS N N 9 124.470 123.982 0.488 1
1 18 . 6 1 1 A 10 10 PRO HA H 10 4.441 4.382 0.059 1
1 25 . 6 1 1 A 10 10 PRO C C 10 176.789 177.429 -0.640 1
1 26 . 6 1 1 A 10 10 PRO CA C 10 63.088 63.420 -0.332 1
1 27 . 6 1 1 A 10 10 PRO CB C 10 32.156 32.217 -0.061 1
1 30 . 6 1 1 A 11 11 ARG H H 11 8.471 8.952 -0.481 1
1 31 . 6 1 1 A 11 11 ARG HA H 11 4.370 3.968 0.402 1
1 36 . 6 1 1 A 11 11 ARG C C 11 176.400 175.167 1.233 1
1 37 . 6 1 1 A 11 11 ARG CA C 11 56.439 56.973 -0.534 1
1 38 . 6 1 1 A 11 11 ARG CB C 11 30.710 28.770 1.940 1
1 40 . 6 1 1 A 11 11 ARG N N 11 121.881 121.454 0.427 1
1 41 . 6 1 1 A 12 12 THR HA H 12 4.270 4.317 -0.047 1
1 46 . 6 1 1 A 12 12 THR C C 12 173.737 176.083 -2.346 1
1 47 . 6 1 1 A 12 12 THR CA C 12 62.101 63.689 -1.588 1
1 48 . 6 1 1 A 12 12 THR CB C 12 69.896 69.509 0.387 1
1 50 . 6 1 1 A 13 13 ILE H H 13 8.215 8.679 -0.464 1
1 51 . 6 1 1 A 13 13 ILE HA H 13 4.063 3.814 0.249 1
1 61 . 6 1 1 A 13 13 ILE C C 13 175.361 175.775 -0.414 1
1 62 . 6 1 1 A 13 13 ILE CA C 13 61.109 63.684 -2.575 1
1 63 . 6 1 1 A 13 13 ILE CB C 13 38.748 38.109 0.639 1
1 67 . 6 1 1 A 13 13 ILE N N 13 124.648 124.058 0.590 1
1 68 . 6 1 1 A 14 14 TYR H H 14 7.928 7.896 0.032 1
1 69 . 6 1 1 A 14 14 TYR HA H 14 4.923 5.279 -0.356 1
1 76 . 6 1 1 A 14 14 TYR C C 14 176.009 175.133 0.876 1
1 77 . 6 1 1 A 14 14 TYR CA C 14 56.425 56.946 -0.521 1
1 78 . 6 1 1 A 14 14 TYR CB C 14 39.984 42.598 -2.614 1
1 83 . 6 1 1 A 14 14 TYR N N 14 122.287 119.772 2.515 1
1 84 . 6 1 1 A 15 15 SER H H 15 9.368 8.264 1.104 1
1 85 . 6 1 1 A 15 15 SER HA H 15 4.639 4.578 0.061 1
1 88 . 6 1 1 A 15 15 SER C C 15 175.065 175.671 -0.606 1
1 89 . 6 1 1 A 15 15 SER CA C 15 56.918 58.527 -1.609 1
1 90 . 6 1 1 A 15 15 SER CB C 15 65.646 63.508 2.138 1
1 91 . 6 1 1 A 15 15 SER N N 15 119.482 118.748 0.734 1
1 92 . 6 1 1 A 16 16 SER HA H 16 4.181 4.107 0.074 1
1 95 . 6 1 1 A 16 16 SER CA C 16 62.192 62.422 -0.230 1
1 96 . 6 1 1 A 16 16 SER CB C 16 62.188 62.416 -0.228 1
1 97 . 6 1 1 A 17 17 PHE H H 17 7.815 8.210 -0.395 1
1 98 . 6 1 1 A 17 17 PHE HA H 17 4.313 4.071 0.242 1
1 106 . 6 1 1 A 17 17 PHE C C 17 177.979 178.091 -0.112 1
1 107 . 6 1 1 A 17 17 PHE CA C 17 60.981 61.752 -0.771 1
1 108 . 6 1 1 A 17 17 PHE CB C 17 39.519 39.432 0.087 1
1 114 . 6 1 1 A 17 17 PHE N N 17 119.320 122.650 -3.330 1
1 115 . 6 1 1 A 18 18 GLN H H 18 7.816 8.215 -0.399 1
1 116 . 6 1 1 A 18 18 GLN HA H 18 3.720 3.771 -0.051 1
1 123 . 6 1 1 A 18 18 GLN C C 18 177.456 179.024 -1.568 1
1 124 . 6 1 1 A 18 18 GLN CA C 18 58.902 58.747 0.155 1
1 125 . 6 1 1 A 18 18 GLN CB C 18 28.118 28.476 -0.358 1
1 127 . 6 1 1 A 18 18 GLN N N 18 119.339 118.191 1.148 1
1 129 . 6 1 1 A 19 19 LEU H H 19 8.583 8.402 0.181 1
1 130 . 6 1 1 A 19 19 LEU HA H 19 3.570 3.766 -0.196 1
1 140 . 6 1 1 A 19 19 LEU C C 19 178.761 178.653 0.108 1
1 141 . 6 1 1 A 19 19 LEU CA C 19 57.837 57.767 0.070 1
1 142 . 6 1 1 A 19 19 LEU CB C 19 41.883 42.238 -0.355 1
1 146 . 6 1 1 A 19 19 LEU N N 19 117.368 120.843 -3.475 1
1 147 . 6 1 1 A 20 20 ALA H H 20 7.918 8.661 -0.743 1
1 148 . 6 1 1 A 20 20 ALA HA H 20 4.019 3.996 0.023 1
1 152 . 6 1 1 A 20 20 ALA C C 20 180.256 179.704 0.552 1
1 153 . 6 1 1 A 20 20 ALA CA C 20 54.944 55.646 -0.702 1
1 154 . 6 1 1 A 20 20 ALA CB C 20 17.731 18.748 -1.017 1
1 155 . 6 1 1 A 20 20 ALA N N 20 120.010 120.867 -0.857 1
1 156 . 6 1 1 A 21 21 ALA H H 21 7.313 7.207 0.106 1
1 157 . 6 1 1 A 21 21 ALA HA H 21 3.945 3.980 -0.035 1
1 161 . 6 1 1 A 21 21 ALA C C 21 181.088 179.461 1.627 1
1 162 . 6 1 1 A 21 21 ALA CA C 21 54.749 54.808 -0.059 1
1 163 . 6 1 1 A 21 21 ALA CB C 21 19.723 18.399 1.324 1
1 164 . 6 1 1 A 21 21 ALA N N 21 120.493 120.442 0.051 1
1 165 . 6 1 1 A 22 22 LEU H H 22 8.049 7.932 0.117 1
1 166 . 6 1 1 A 22 22 LEU HA H 22 3.507 3.606 -0.099 1
1 176 . 6 1 1 A 22 22 LEU C C 22 177.768 178.682 -0.914 1
1 177 . 6 1 1 A 22 22 LEU CA C 22 58.418 57.736 0.682 1
1 178 . 6 1 1 A 22 22 LEU CB C 22 38.280 40.702 -2.422 1
1 182 . 6 1 1 A 22 22 LEU N N 22 121.618 118.129 3.489 1
1 183 . 6 1 1 A 23 23 GLN H H 23 8.047 8.365 -0.318 1
1 184 . 6 1 1 A 23 23 GLN HA H 23 4.042 4.102 -0.060 1
1 191 . 6 1 1 A 23 23 GLN C C 23 178.945 178.839 0.106 1
1 192 . 6 1 1 A 23 23 GLN CA C 23 59.172 59.310 -0.138 1
1 193 . 6 1 1 A 23 23 GLN CB C 23 28.225 28.358 -0.133 1
1 195 . 6 1 1 A 23 23 GLN N N 23 117.012 117.194 -0.182 1
1 197 . 6 1 1 A 24 24 ARG H H 24 7.956 7.800 0.156 1
1 198 . 6 1 1 A 24 24 ARG HA H 24 4.098 3.985 0.113 1
1 205 . 6 1 1 A 24 24 ARG C C 24 179.440 178.952 0.488 1
1 206 . 6 1 1 A 24 24 ARG CA C 24 59.443 59.547 -0.104 1
1 207 . 6 1 1 A 24 24 ARG CB C 24 30.290 30.105 0.185 1
1 210 . 6 1 1 A 24 24 ARG N N 24 118.511 120.317 -1.806 1
1 211 . 6 1 1 A 25 25 ARG H H 25 7.768 7.848 -0.080 1
1 212 . 6 1 1 A 25 25 ARG HA H 25 4.380 4.093 0.287 1
1 219 . 6 1 1 A 25 25 ARG C C 25 177.933 178.313 -0.380 1
1 220 . 6 1 1 A 25 25 ARG CA C 25 56.993 58.959 -1.966 1
1 221 . 6 1 1 A 25 25 ARG CB C 25 28.118 30.107 -1.989 1
1 224 . 6 1 1 A 25 25 ARG N N 25 119.018 119.703 -0.685 1
1 225 . 6 1 1 A 26 26 PHE H H 26 8.739 8.526 0.213 1
1 226 . 6 1 1 A 26 26 PHE HA H 26 4.680 4.174 0.506 1
1 234 . 6 1 1 A 26 26 PHE C C 26 175.842 177.235 -1.393 1
1 235 . 6 1 1 A 26 26 PHE CA C 26 60.339 61.900 -1.561 1
1 236 . 6 1 1 A 26 26 PHE CB C 26 39.477 39.121 0.356 1
1 242 . 6 1 1 A 26 26 PHE N N 26 121.838 120.545 1.293 1
1 243 . 6 1 1 A 27 27 GLN H H 27 7.712 8.079 -0.367 1
1 244 . 6 1 1 A 27 27 GLN HA H 27 3.979 3.681 0.298 1
1 251 . 6 1 1 A 27 27 GLN C C 27 177.336 178.136 -0.800 1
1 252 . 6 1 1 A 27 27 GLN CA C 27 57.877 59.316 -1.439 1
1 253 . 6 1 1 A 27 27 GLN CB C 27 28.809 28.263 0.546 1
1 255 . 6 1 1 A 27 27 GLN N N 27 113.533 118.315 -4.782 1
1 257 . 6 1 1 A 28 28 LYS H H 28 7.469 7.826 -0.357 1
1 258 . 6 1 1 A 28 28 LYS HA H 28 4.316 4.176 0.140 1
1 267 . 6 1 1 A 28 28 LYS C C 28 177.011 176.022 0.989 1
1 268 . 6 1 1 A 28 28 LYS CA C 28 57.805 58.760 -0.955 1
1 269 . 6 1 1 A 28 28 LYS CB C 28 33.639 32.699 0.940 1
1 273 . 6 1 1 A 28 28 LYS N N 28 117.851 120.025 -2.174 1
1 274 . 6 1 1 A 29 29 THR H H 29 8.373 7.635 0.738 1
1 275 . 6 1 1 A 29 29 THR HA H 29 4.457 4.610 -0.153 1
1 280 . 6 1 1 A 29 29 THR C C 29 171.650 174.020 -2.370 1
1 281 . 6 1 1 A 29 29 THR CA C 29 59.598 60.128 -0.530 1
1 282 . 6 1 1 A 29 29 THR CB C 29 70.546 70.953 -0.407 1
1 284 . 6 1 1 A 29 29 THR N N 29 113.944 111.531 2.413 1
1 285 . 6 1 1 A 30 30 GLN H H 30 8.210 8.467 -0.257 1
1 286 . 6 1 1 A 30 30 GLN HA H 30 3.863 4.182 -0.319 1
1 293 . 6 1 1 A 30 30 GLN C C 30 174.111 175.755 -1.644 1
1 294 . 6 1 1 A 30 30 GLN CA C 30 56.868 58.024 -1.156 1
1 295 . 6 1 1 A 30 30 GLN CB C 30 27.841 29.225 -1.384 1
1 297 . 6 1 1 A 30 30 GLN N N 30 121.138 125.019 -3.881 1
1 299 . 6 1 1 A 31 31 TYR H H 31 7.532 7.548 -0.016 1
1 300 . 6 1 1 A 31 31 TYR HA H 31 4.700 5.146 -0.446 1
1 307 . 6 1 1 A 31 31 TYR C C 31 174.485 175.232 -0.747 1
1 308 . 6 1 1 A 31 31 TYR CA C 31 56.954 57.219 -0.265 1
1 309 . 6 1 1 A 31 31 TYR CB C 31 41.374 40.968 0.406 1
1 314 . 6 1 1 A 31 31 TYR N N 31 114.987 116.863 -1.876 1
1 315 . 6 1 1 A 32 32 LEU H H 32 8.382 8.774 -0.392 1
1 316 . 6 1 1 A 32 32 LEU HA H 32 4.486 4.893 -0.407 1
1 326 . 6 1 1 A 32 32 LEU C C 32 176.526 176.374 0.152 1
1 327 . 6 1 1 A 32 32 LEU CA C 32 53.216 53.288 -0.072 1
1 328 . 6 1 1 A 32 32 LEU CB C 32 44.134 45.321 -1.187 1
1 332 . 6 1 1 A 32 32 LEU N N 32 123.429 122.992 0.437 1
1 333 . 6 1 1 A 33 33 ALA H H 33 8.805 8.849 -0.044 1
1 334 . 6 1 1 A 33 33 ALA HA H 33 4.469 4.401 0.068 1
1 338 . 6 1 1 A 33 33 ALA C C 33 178.230 177.692 0.538 1
1 339 . 6 1 1 A 33 33 ALA CA C 33 51.183 52.245 -1.062 1
1 340 . 6 1 1 A 33 33 ALA CB C 33 19.852 20.224 -0.372 1
1 341 . 6 1 1 A 33 33 ALA N N 33 126.131 126.272 -0.141 1
1 342 . 6 1 1 A 34 34 LEU H H 34 8.898 8.659 0.239 1
1 343 . 6 1 1 A 34 34 LEU HA H 34 4.088 4.051 0.037 1
1 353 . 6 1 1 A 34 34 LEU C C 34 178.245 175.446 2.799 1
1 354 . 6 1 1 A 34 34 LEU CA C 34 60.712 59.778 0.934 1
1 355 . 6 1 1 A 34 34 LEU CB C 34 39.135 40.884 -1.749 1
1 359 . 6 1 1 A 34 34 LEU N N 34 122.061 120.543 1.518 1
1 360 . 6 1 1 A 35 35 PRO HA H 35 4.378 4.285 0.093 1
1 367 . 6 1 1 A 35 35 PRO C C 35 179.888 179.084 0.804 1
1 368 . 6 1 1 A 35 35 PRO CA C 35 65.894 66.029 -0.135 1
1 369 . 6 1 1 A 35 35 PRO CB C 35 30.618 30.580 0.038 1
1 372 . 6 1 1 A 36 36 GLU H H 36 6.984 8.465 -1.481 1
1 373 . 6 1 1 A 36 36 GLU HA H 36 4.192 4.043 0.149 1
1 378 . 6 1 1 A 36 36 GLU C C 36 179.230 178.951 0.279 1
1 379 . 6 1 1 A 36 36 GLU CA C 36 58.631 59.825 -1.194 1
1 380 . 6 1 1 A 36 36 GLU CB C 36 30.290 29.139 1.151 1
1 382 . 6 1 1 A 36 36 GLU N N 36 116.910 117.768 -0.858 1
1 383 . 6 1 1 A 37 37 ARG H H 37 8.489 8.462 0.027 1
1 384 . 6 1 1 A 37 37 ARG HA H 37 3.741 3.962 -0.221 1
1 391 . 6 1 1 A 37 37 ARG C C 37 177.835 177.765 0.070 1
1 392 . 6 1 1 A 37 37 ARG CA C 37 60.076 58.813 1.263 1
1 393 . 6 1 1 A 37 37 ARG CB C 37 30.775 29.741 1.034 1
1 396 . 6 1 1 A 37 37 ARG N N 37 121.545 120.251 1.294 1
1 397 . 6 1 1 A 38 38 ALA H H 38 8.308 7.854 0.454 1
1 398 . 6 1 1 A 38 38 ALA HA H 38 3.941 4.080 -0.139 1
1 402 . 6 1 1 A 38 38 ALA C C 38 180.311 180.153 0.158 1
1 403 . 6 1 1 A 38 38 ALA CA C 38 55.446 54.926 0.520 1
1 404 . 6 1 1 A 38 38 ALA CB C 38 18.082 18.516 -0.434 1
1 405 . 6 1 1 A 38 38 ALA N N 38 120.571 121.299 -0.728 1
1 406 . 6 1 1 A 39 39 GLU H H 39 7.819 8.408 -0.589 1
1 407 . 6 1 1 A 39 39 GLU HA H 39 4.125 3.961 0.164 1
1 412 . 6 1 1 A 39 39 GLU C C 39 178.851 179.585 -0.734 1
1 413 . 6 1 1 A 39 39 GLU CA C 39 59.257 59.362 -0.105 1
1 414 . 6 1 1 A 39 39 GLU CB C 39 29.806 29.318 0.488 1
1 416 . 6 1 1 A 39 39 GLU N N 39 119.614 118.390 1.224 1
1 417 . 6 1 1 A 40 40 LEU H H 40 8.251 8.137 0.114 1
1 418 . 6 1 1 A 40 40 LEU HA H 40 4.149 4.001 0.148 1
1 428 . 6 1 1 A 40 40 LEU C C 40 178.939 179.497 -0.558 1
1 429 . 6 1 1 A 40 40 LEU CA C 40 57.625 57.765 -0.140 1
1 430 . 6 1 1 A 40 40 LEU CB C 40 42.239 40.784 1.455 1
1 434 . 6 1 1 A 40 40 LEU N N 40 121.912 119.846 2.066 1
1 435 . 6 1 1 A 41 41 ALA H H 41 8.449 7.928 0.521 1
1 436 . 6 1 1 A 41 41 ALA HA H 41 3.629 4.080 -0.451 1
1 440 . 6 1 1 A 41 41 ALA C C 41 179.199 180.356 -1.157 1
1 441 . 6 1 1 A 41 41 ALA CA C 41 56.202 55.074 1.128 1
1 442 . 6 1 1 A 41 41 ALA CB C 41 17.819 17.978 -0.159 1
1 443 . 6 1 1 A 41 41 ALA N N 41 120.020 122.450 -2.430 1
1 444 . 6 1 1 A 42 42 ALA H H 42 7.800 8.407 -0.607 1
1 445 . 6 1 1 A 42 42 ALA HA H 42 4.240 4.178 0.062 1
1 449 . 6 1 1 A 42 42 ALA C C 42 181.146 179.642 1.504 1
1 450 . 6 1 1 A 42 42 ALA CA C 42 54.991 54.744 0.247 1
1 451 . 6 1 1 A 42 42 ALA CB C 42 17.983 18.456 -0.473 1
1 452 . 6 1 1 A 42 42 ALA N N 42 118.414 120.190 -1.776 1
1 453 . 6 1 1 A 43 43 SER H H 43 8.172 8.349 -0.177 1
1 454 . 6 1 1 A 43 43 SER HA H 43 4.314 4.348 -0.034 1
1 457 . 6 1 1 A 43 43 SER C C 43 175.817 176.173 -0.356 1
1 458 . 6 1 1 A 43 43 SER CA C 43 61.138 62.197 -1.059 1
1 459 . 6 1 1 A 43 43 SER CB C 43 63.341 63.662 -0.321 1
1 460 . 6 1 1 A 43 43 SER N N 43 113.508 115.418 -1.910 1
1 461 . 6 1 1 A 44 44 LEU H H 44 7.701 7.925 -0.224 1
1 462 . 6 1 1 A 44 44 LEU HA H 44 4.662 4.321 0.341 1
1 472 . 6 1 1 A 44 44 LEU C C 44 177.588 177.029 0.559 1
1 473 . 6 1 1 A 44 44 LEU CA C 44 54.556 55.300 -0.744 1
1 474 . 6 1 1 A 44 44 LEU CB C 44 44.134 42.450 1.684 1
1 478 . 6 1 1 A 44 44 LEU N N 44 117.384 117.871 -0.487 1
1 479 . 6 1 1 A 45 45 GLY H H 45 7.971 8.098 -0.127 1
1 480 . 6 1 1 A 45 45 GLY HA2 H 45 4.130 3.939 0.191 1
1 481 . 6 1 1 A 45 45 GLY HA3 H 45 3.991 3.957 0.034 1
1 482 . 6 1 1 A 45 45 GLY C C 45 174.538 174.340 0.198 1
1 483 . 6 1 1 A 45 45 GLY CA C 45 46.623 45.767 0.856 1
1 484 . 6 1 1 A 45 45 GLY N N 45 110.156 106.688 3.468 1
1 485 . 6 1 1 A 46 46 LEU H H 46 8.012 8.025 -0.013 1
1 486 . 6 1 1 A 46 46 LEU HA H 46 4.914 4.781 0.133 1
1 496 . 6 1 1 A 46 46 LEU C C 46 176.613 175.589 1.024 1
1 497 . 6 1 1 A 46 46 LEU CA C 46 52.652 53.464 -0.812 1
1 498 . 6 1 1 A 46 46 LEU CB C 46 46.882 42.842 4.040 1
1 502 . 6 1 1 A 46 46 LEU N N 46 119.755 121.621 -1.866 1
1 503 . 6 1 1 A 47 47 THR H H 47 8.846 8.315 0.531 1
1 504 . 6 1 1 A 47 47 THR HA H 47 4.681 4.818 -0.137 1
1 509 . 6 1 1 A 47 47 THR C C 47 176.869 175.504 1.365 1
1 510 . 6 1 1 A 47 47 THR CA C 47 60.326 59.700 0.626 1
1 511 . 6 1 1 A 47 47 THR CB C 47 70.720 71.051 -0.331 1
1 513 . 6 1 1 A 47 47 THR N N 47 109.908 114.067 -4.159 1
1 514 . 6 1 1 A 48 48 GLN H H 48 9.324 8.998 0.326 1
1 515 . 6 1 1 A 48 48 GLN HA H 48 3.708 3.970 -0.262 1
1 522 . 6 1 1 A 48 48 GLN C C 48 178.548 177.942 0.606 1
1 523 . 6 1 1 A 48 48 GLN CA C 48 60.839 59.352 1.487 1
1 524 . 6 1 1 A 48 48 GLN CB C 48 27.998 28.193 -0.195 1
1 526 . 6 1 1 A 48 48 GLN N N 48 120.589 126.583 -5.994 1
1 528 . 6 1 1 A 49 49 THR H H 49 8.172 7.843 0.329 1
1 529 . 6 1 1 A 49 49 THR HA H 49 3.908 4.102 -0.194 1
1 534 . 6 1 1 A 49 49 THR CA C 49 66.920 65.635 1.285 1
1 535 . 6 1 1 A 49 49 THR CB C 49 68.671 68.662 0.009 1
1 537 . 6 1 1 A 49 49 THR N N 49 115.925 117.799 -1.874 1
1 538 . 6 1 1 A 50 50 GLN H H 50 8.005 8.260 -0.255 1
1 539 . 6 1 1 A 50 50 GLN HA H 50 4.049 4.358 -0.309 1
1 546 . 6 1 1 A 50 50 GLN C C 50 180.191 178.120 2.071 1
1 547 . 6 1 1 A 50 50 GLN CA C 50 59.633 58.323 1.310 1
1 548 . 6 1 1 A 50 50 GLN CB C 50 28.965 29.504 -0.539 1
1 550 . 6 1 1 A 50 50 GLN N N 50 120.680 120.328 0.352 1
1 552 . 6 1 1 A 51 51 VAL H H 51 7.759 8.072 -0.313 1
1 553 . 6 1 1 A 51 51 VAL HA H 51 3.754 3.809 -0.055 1
1 561 . 6 1 1 A 51 51 VAL C C 51 176.534 178.484 -1.950 1
1 562 . 6 1 1 A 51 51 VAL CA C 51 67.618 66.732 0.886 1
1 563 . 6 1 1 A 51 51 VAL CB C 51 32.052 31.564 0.488 1
1 566 . 6 1 1 A 51 51 VAL N N 51 119.814 120.758 -0.944 1
1 567 . 6 1 1 A 52 52 LYS H H 52 8.504 7.785 0.719 1
1 568 . 6 1 1 A 52 52 LYS HA H 52 4.301 4.083 0.218 1
1 577 . 6 1 1 A 52 52 LYS C C 52 179.918 179.807 0.111 1
1 578 . 6 1 1 A 52 52 LYS CA C 52 60.046 59.494 0.552 1
1 579 . 6 1 1 A 52 52 LYS CB C 52 33.392 32.477 0.915 1
1 583 . 6 1 1 A 52 52 LYS N N 52 121.422 119.178 2.244 1
1 584 . 6 1 1 A 53 53 ILE H H 53 8.775 8.191 0.584 1
1 585 . 6 1 1 A 53 53 ILE HA H 53 3.866 3.718 0.148 1
1 595 . 6 1 1 A 53 53 ILE C C 53 177.447 178.499 -1.052 1
1 596 . 6 1 1 A 53 53 ILE CA C 53 64.285 65.511 -1.226 1
1 597 . 6 1 1 A 53 53 ILE CB C 53 38.066 37.871 0.195 1
1 601 . 6 1 1 A 53 53 ILE N N 53 119.411 120.365 -0.954 1
1 602 . 6 1 1 A 54 54 TRP H H 54 8.052 8.228 -0.176 1
1 603 . 6 1 1 A 54 54 TRP HA H 54 4.005 4.166 -0.161 1
1 612 . 6 1 1 A 54 54 TRP C C 54 179.712 178.273 1.439 1
1 613 . 6 1 1 A 54 54 TRP CA C 54 63.406 61.282 2.124 1
1 614 . 6 1 1 A 54 54 TRP CB C 54 28.935 29.528 -0.593 1
1 620 . 6 1 1 A 54 54 TRP N N 54 122.233 121.826 0.407 1
1 622 . 6 1 1 A 55 55 PHE H H 55 8.720 8.242 0.478 1
1 623 . 6 1 1 A 55 55 PHE HA H 55 3.786 4.145 -0.359 1
1 631 . 6 1 1 A 55 55 PHE C C 55 177.753 178.118 -0.365 1
1 632 . 6 1 1 A 55 55 PHE CA C 55 63.194 61.992 1.202 1
1 633 . 6 1 1 A 55 55 PHE CB C 55 39.739 38.625 1.114 1
1 639 . 6 1 1 A 55 55 PHE N N 55 118.671 117.905 0.766 1
1 640 . 6 1 1 A 56 56 GLN H H 56 8.294 8.501 -0.207 1
1 641 . 6 1 1 A 56 56 GLN HA H 56 3.952 4.000 -0.048 1
1 648 . 6 1 1 A 56 56 GLN C C 56 179.029 178.061 0.968 1
1 649 . 6 1 1 A 56 56 GLN CA C 56 59.414 58.991 0.423 1
1 650 . 6 1 1 A 56 56 GLN CB C 56 28.724 28.689 0.035 1
1 652 . 6 1 1 A 56 56 GLN N N 56 118.357 119.190 -0.833 1
1 654 . 6 1 1 A 57 57 ASN H H 57 8.580 8.518 0.062 1
1 655 . 6 1 1 A 57 57 ASN HA H 57 4.315 4.369 -0.054 1
1 660 . 6 1 1 A 57 57 ASN C C 57 177.717 178.218 -0.501 1
1 661 . 6 1 1 A 57 57 ASN CA C 57 55.541 55.794 -0.253 1
1 662 . 6 1 1 A 57 57 ASN CB C 57 37.796 38.267 -0.471 1
1 663 . 6 1 1 A 57 57 ASN N N 57 118.858 117.031 1.827 1
1 665 . 6 1 1 A 58 58 LYS H H 58 7.761 7.334 0.427 1
1 666 . 6 1 1 A 58 58 LYS HA H 58 3.416 3.684 -0.268 1
1 675 . 6 1 1 A 58 58 LYS C C 58 178.937 179.534 -0.597 1
1 676 . 6 1 1 A 58 58 LYS CA C 58 57.292 59.210 -1.918 1
1 677 . 6 1 1 A 58 58 LYS CB C 58 30.746 31.389 -0.643 1
1 681 . 6 1 1 A 58 58 LYS N N 58 122.418 121.121 1.297 1
1 682 . 6 1 1 A 59 59 ARG H H 59 7.965 8.488 -0.523 1
1 683 . 6 1 1 A 59 59 ARG HA H 59 4.078 4.121 -0.043 1
1 690 . 6 1 1 A 59 59 ARG C C 59 178.804 178.885 -0.081 1
1 691 . 6 1 1 A 59 59 ARG CA C 59 60.056 59.913 0.143 1
1 692 . 6 1 1 A 59 59 ARG CB C 59 31.573 30.013 1.560 1
1 695 . 6 1 1 A 59 59 ARG N N 59 116.992 119.605 -2.613 1
1 696 . 6 1 1 A 60 60 SER H H 60 7.733 7.543 0.190 1
1 697 . 6 1 1 A 60 60 SER HA H 60 4.308 4.095 0.213 1
1 700 . 6 1 1 A 60 60 SER C C 60 175.262 177.369 -2.107 1
1 701 . 6 1 1 A 60 60 SER CA C 60 60.550 61.627 -1.077 1
1 702 . 6 1 1 A 60 60 SER CB C 60 63.304 63.001 0.303 1
1 703 . 6 1 1 A 60 60 SER N N 60 113.717 114.856 -1.139 1
1 704 . 6 1 1 A 61 61 LYS H H 61 7.622 7.888 -0.266 1
1 705 . 6 1 1 A 61 61 LYS HA H 61 4.218 4.032 0.186 1
1 714 . 6 1 1 A 61 61 LYS C C 61 177.402 177.703 -0.301 1
1 715 . 6 1 1 A 61 61 LYS CA C 61 56.989 59.053 -2.064 1
1 716 . 6 1 1 A 61 61 LYS CB C 61 32.486 32.182 0.304 1
1 720 . 6 1 1 A 61 61 LYS N N 61 121.107 120.155 0.952 1
1 721 . 6 1 1 A 62 62 ILE H H 62 7.632 7.573 0.059 1
1 722 . 6 1 1 A 62 62 ILE HA H 62 4.074 3.994 0.080 1
1 732 . 6 1 1 A 62 62 ILE C C 62 176.614 175.919 0.695 1
1 733 . 6 1 1 A 62 62 ILE CA C 62 61.960 61.990 -0.030 1
1 734 . 6 1 1 A 62 62 ILE CB C 62 38.231 37.711 0.520 1
1 738 . 6 1 1 A 62 62 ILE N N 62 119.268 120.899 -1.631 1
1 739 . 6 1 1 A 63 63 LYS H H 63 8.100 8.647 -0.547 1
1 740 . 6 1 1 A 63 63 LYS HA H 63 4.304 4.428 -0.124 1
1 747 . 6 1 1 A 63 63 LYS C C 63 176.623 176.292 0.331 1
1 748 . 6 1 1 A 63 63 LYS CA C 63 56.672 56.570 0.102 1
1 749 . 6 1 1 A 63 63 LYS CB C 63 32.898 33.018 -0.120 1
1 753 . 6 1 1 A 63 63 LYS N N 63 124.673 129.115 -4.442 1
1 754 . 6 1 1 A 64 64 LYS H H 64 8.272 8.539 -0.267 1
1 755 . 6 1 1 A 64 64 LYS C C 64 176.619 176.246 0.373 1
1 756 . 6 1 1 A 64 64 LYS CA C 64 56.531 54.432 2.099 1
1 757 . 6 1 1 A 64 64 LYS CB C 64 33.017 33.692 -0.675 1
1 758 . 6 1 1 A 64 64 LYS N N 64 122.722 127.065 -4.343 1
1 759 . 6 1 1 A 65 65 SER HA H 65 4.533 4.812 -0.279 1
1 762 . 6 1 1 A 65 65 SER C C 65 174.501 174.652 -0.151 1
1 763 . 6 1 1 A 65 65 SER CA C 65 58.364 57.395 0.969 1
1 764 . 6 1 1 A 65 65 SER CB C 65 64.210 63.886 0.324 1
1 765 . 6 1 1 A 66 66 GLY H H 66 8.264 8.895 -0.631 1
1 766 . 6 1 1 A 66 66 GLY C C 66 171.884 172.734 -0.850 1
1 767 . 6 1 1 A 66 66 GLY CA C 66 44.719 46.010 -1.291 1
1 768 . 6 1 1 A 66 66 GLY N N 66 110.727 109.795 0.932 1
1 772 . 6 1 1 A 67 67 PRO CA C 67 63.385 62.396 0.989 1
1 773 . 6 1 1 A 67 67 PRO CB C 67 32.419 32.804 -0.385 1
1 1 . 7 1 1 A 8 8 ARG HA H 8 4.360 4.523 -0.163 1
1 8 . 7 1 1 A 8 8 ARG C C 8 176.260 176.692 -0.432 1
1 9 . 7 1 1 A 8 8 ARG CA C 8 55.966 56.612 -0.646 1
1 10 . 7 1 1 A 8 8 ARG CB C 8 30.838 32.067 -1.229 1
1 13 . 7 1 1 A 9 9 LYS H H 9 8.400 7.673 0.727 1
1 14 . 7 1 1 A 9 9 LYS C C 9 174.555 176.654 -2.099 1
1 15 . 7 1 1 A 9 9 LYS CA C 9 54.274 55.130 -0.856 1
1 16 . 7 1 1 A 9 9 LYS CB C 9 32.440 31.854 0.586 1
1 17 . 7 1 1 A 9 9 LYS N N 9 124.470 121.446 3.024 1
1 18 . 7 1 1 A 10 10 PRO HA H 10 4.441 4.415 0.026 1
1 25 . 7 1 1 A 10 10 PRO C C 10 176.789 176.726 0.063 1
1 26 . 7 1 1 A 10 10 PRO CA C 10 63.088 65.216 -2.128 1
1 27 . 7 1 1 A 10 10 PRO CB C 10 32.156 31.965 0.191 1
1 30 . 7 1 1 A 11 11 ARG H H 11 8.471 8.166 0.305 1
1 31 . 7 1 1 A 11 11 ARG HA H 11 4.370 4.473 -0.103 1
1 36 . 7 1 1 A 11 11 ARG C C 11 176.400 176.071 0.329 1
1 37 . 7 1 1 A 11 11 ARG CA C 11 56.439 55.707 0.732 1
1 38 . 7 1 1 A 11 11 ARG CB C 11 30.710 30.674 0.036 1
1 40 . 7 1 1 A 11 11 ARG N N 11 121.881 114.997 6.884 1
1 41 . 7 1 1 A 12 12 THR HA H 12 4.270 4.528 -0.258 1
1 46 . 7 1 1 A 12 12 THR C C 12 173.737 176.197 -2.460 1
1 47 . 7 1 1 A 12 12 THR CA C 12 62.101 62.658 -0.557 1
1 48 . 7 1 1 A 12 12 THR CB C 12 69.896 69.623 0.273 1
1 50 . 7 1 1 A 13 13 ILE H H 13 8.215 8.713 -0.498 1
1 51 . 7 1 1 A 13 13 ILE HA H 13 4.063 3.849 0.214 1
1 61 . 7 1 1 A 13 13 ILE C C 13 175.361 175.843 -0.482 1
1 62 . 7 1 1 A 13 13 ILE CA C 13 61.109 63.712 -2.603 1
1 63 . 7 1 1 A 13 13 ILE CB C 13 38.748 38.108 0.640 1
1 67 . 7 1 1 A 13 13 ILE N N 13 124.648 124.144 0.504 1
1 68 . 7 1 1 A 14 14 TYR H H 14 7.928 7.946 -0.018 1
1 69 . 7 1 1 A 14 14 TYR HA H 14 4.923 5.314 -0.391 1
1 76 . 7 1 1 A 14 14 TYR C C 14 176.009 175.632 0.377 1
1 77 . 7 1 1 A 14 14 TYR CA C 14 56.425 56.849 -0.424 1
1 78 . 7 1 1 A 14 14 TYR CB C 14 39.984 42.248 -2.264 1
1 83 . 7 1 1 A 14 14 TYR N N 14 122.287 119.980 2.307 1
1 84 . 7 1 1 A 15 15 SER H H 15 9.368 8.856 0.512 1
1 85 . 7 1 1 A 15 15 SER HA H 15 4.639 4.551 0.088 1
1 88 . 7 1 1 A 15 15 SER C C 15 175.065 176.211 -1.146 1
1 89 . 7 1 1 A 15 15 SER CA C 15 56.918 59.444 -2.526 1
1 90 . 7 1 1 A 15 15 SER CB C 15 65.646 63.806 1.840 1
1 91 . 7 1 1 A 15 15 SER N N 15 119.482 122.171 -2.689 1
1 92 . 7 1 1 A 16 16 SER HA H 16 4.181 4.086 0.095 1
1 95 . 7 1 1 A 16 16 SER CA C 16 62.192 61.721 0.471 1
1 96 . 7 1 1 A 16 16 SER CB C 16 62.188 62.479 -0.291 1
1 97 . 7 1 1 A 17 17 PHE H H 17 7.815 7.989 -0.174 1
1 98 . 7 1 1 A 17 17 PHE HA H 17 4.313 4.147 0.166 1
1 106 . 7 1 1 A 17 17 PHE C C 17 177.979 178.224 -0.245 1
1 107 . 7 1 1 A 17 17 PHE CA C 17 60.981 61.752 -0.771 1
1 108 . 7 1 1 A 17 17 PHE CB C 17 39.519 39.095 0.424 1
1 114 . 7 1 1 A 17 17 PHE N N 17 119.320 123.949 -4.629 1
1 115 . 7 1 1 A 18 18 GLN H H 18 7.816 8.305 -0.489 1
1 116 . 7 1 1 A 18 18 GLN HA H 18 3.720 3.996 -0.276 1
1 123 . 7 1 1 A 18 18 GLN C C 18 177.456 178.762 -1.306 1
1 124 . 7 1 1 A 18 18 GLN CA C 18 58.902 58.671 0.231 1
1 125 . 7 1 1 A 18 18 GLN CB C 18 28.118 28.454 -0.336 1
1 127 . 7 1 1 A 18 18 GLN N N 18 119.339 118.524 0.815 1
1 129 . 7 1 1 A 19 19 LEU H H 19 8.583 8.098 0.485 1
1 130 . 7 1 1 A 19 19 LEU HA H 19 3.570 3.803 -0.233 1
1 140 . 7 1 1 A 19 19 LEU C C 19 178.761 178.614 0.147 1
1 141 . 7 1 1 A 19 19 LEU CA C 19 57.837 57.779 0.058 1
1 142 . 7 1 1 A 19 19 LEU CB C 19 41.883 41.949 -0.066 1
1 146 . 7 1 1 A 19 19 LEU N N 19 117.368 120.609 -3.241 1
1 147 . 7 1 1 A 20 20 ALA H H 20 7.918 8.345 -0.427 1
1 148 . 7 1 1 A 20 20 ALA HA H 20 4.019 3.959 0.060 1
1 152 . 7 1 1 A 20 20 ALA C C 20 180.256 179.430 0.826 1
1 153 . 7 1 1 A 20 20 ALA CA C 20 54.944 55.471 -0.527 1
1 154 . 7 1 1 A 20 20 ALA CB C 20 17.731 18.661 -0.930 1
1 155 . 7 1 1 A 20 20 ALA N N 20 120.010 121.002 -0.992 1
1 156 . 7 1 1 A 21 21 ALA H H 21 7.313 7.584 -0.271 1
1 157 . 7 1 1 A 21 21 ALA HA H 21 3.945 4.062 -0.117 1
1 161 . 7 1 1 A 21 21 ALA C C 21 181.088 179.262 1.826 1
1 162 . 7 1 1 A 21 21 ALA CA C 21 54.749 54.664 0.085 1
1 163 . 7 1 1 A 21 21 ALA CB C 21 19.723 18.569 1.154 1
1 164 . 7 1 1 A 21 21 ALA N N 21 120.493 120.087 0.406 1
1 165 . 7 1 1 A 22 22 LEU H H 22 8.049 7.914 0.135 1
1 166 . 7 1 1 A 22 22 LEU HA H 22 3.507 3.674 -0.167 1
1 176 . 7 1 1 A 22 22 LEU C C 22 177.768 178.693 -0.925 1
1 177 . 7 1 1 A 22 22 LEU CA C 22 58.418 57.827 0.591 1
1 178 . 7 1 1 A 22 22 LEU CB C 22 38.280 40.976 -2.696 1
1 182 . 7 1 1 A 22 22 LEU N N 22 121.618 118.596 3.022 1
1 183 . 7 1 1 A 23 23 GLN H H 23 8.047 8.299 -0.252 1
1 184 . 7 1 1 A 23 23 GLN HA H 23 4.042 4.038 0.004 1
1 191 . 7 1 1 A 23 23 GLN C C 23 178.945 178.803 0.142 1
1 192 . 7 1 1 A 23 23 GLN CA C 23 59.172 59.294 -0.122 1
1 193 . 7 1 1 A 23 23 GLN CB C 23 28.225 28.584 -0.359 1
1 195 . 7 1 1 A 23 23 GLN N N 23 117.012 117.302 -0.290 1
1 197 . 7 1 1 A 24 24 ARG H H 24 7.956 7.619 0.337 1
1 198 . 7 1 1 A 24 24 ARG HA H 24 4.098 4.049 0.049 1
1 205 . 7 1 1 A 24 24 ARG C C 24 179.440 178.403 1.037 1
1 206 . 7 1 1 A 24 24 ARG CA C 24 59.443 58.628 0.815 1
1 207 . 7 1 1 A 24 24 ARG CB C 24 30.290 29.727 0.563 1
1 210 . 7 1 1 A 24 24 ARG N N 24 118.511 120.412 -1.901 1
1 211 . 7 1 1 A 25 25 ARG H H 25 7.768 7.537 0.231 1
1 212 . 7 1 1 A 25 25 ARG HA H 25 4.380 4.177 0.203 1
1 219 . 7 1 1 A 25 25 ARG C C 25 177.933 178.582 -0.649 1
1 220 . 7 1 1 A 25 25 ARG CA C 25 56.993 58.534 -1.541 1
1 221 . 7 1 1 A 25 25 ARG CB C 25 28.118 30.256 -2.138 1
1 224 . 7 1 1 A 25 25 ARG N N 25 119.018 119.478 -0.460 1
1 225 . 7 1 1 A 26 26 PHE H H 26 8.739 8.257 0.482 1
1 226 . 7 1 1 A 26 26 PHE HA H 26 4.680 4.367 0.313 1
1 234 . 7 1 1 A 26 26 PHE C C 26 175.842 177.247 -1.405 1
1 235 . 7 1 1 A 26 26 PHE CA C 26 60.339 61.974 -1.635 1
1 236 . 7 1 1 A 26 26 PHE CB C 26 39.477 39.251 0.226 1
1 242 . 7 1 1 A 26 26 PHE N N 26 121.838 120.402 1.436 1
1 243 . 7 1 1 A 27 27 GLN H H 27 7.712 8.320 -0.608 1
1 244 . 7 1 1 A 27 27 GLN HA H 27 3.979 4.057 -0.078 1
1 251 . 7 1 1 A 27 27 GLN C C 27 177.336 177.829 -0.493 1
1 252 . 7 1 1 A 27 27 GLN CA C 27 57.877 58.516 -0.639 1
1 253 . 7 1 1 A 27 27 GLN CB C 27 28.809 28.778 0.031 1
1 255 . 7 1 1 A 27 27 GLN N N 27 113.533 117.623 -4.090 1
1 257 . 7 1 1 A 28 28 LYS H H 28 7.469 7.781 -0.312 1
1 258 . 7 1 1 A 28 28 LYS HA H 28 4.316 4.102 0.214 1
1 267 . 7 1 1 A 28 28 LYS C C 28 177.011 175.844 1.167 1
1 268 . 7 1 1 A 28 28 LYS CA C 28 57.805 58.821 -1.016 1
1 269 . 7 1 1 A 28 28 LYS CB C 28 33.639 32.995 0.644 1
1 273 . 7 1 1 A 28 28 LYS N N 28 117.851 119.592 -1.741 1
1 274 . 7 1 1 A 29 29 THR H H 29 8.373 7.641 0.732 1
1 275 . 7 1 1 A 29 29 THR HA H 29 4.457 4.547 -0.090 1
1 280 . 7 1 1 A 29 29 THR C C 29 171.650 174.259 -2.609 1
1 281 . 7 1 1 A 29 29 THR CA C 29 59.598 60.263 -0.665 1
1 282 . 7 1 1 A 29 29 THR CB C 29 70.546 71.395 -0.849 1
1 284 . 7 1 1 A 29 29 THR N N 29 113.944 111.781 2.163 1
1 285 . 7 1 1 A 30 30 GLN H H 30 8.210 8.241 -0.031 1
1 286 . 7 1 1 A 30 30 GLN HA H 30 3.863 3.595 0.268 1
1 293 . 7 1 1 A 30 30 GLN C C 30 174.111 175.327 -1.216 1
1 294 . 7 1 1 A 30 30 GLN CA C 30 56.868 58.354 -1.486 1
1 295 . 7 1 1 A 30 30 GLN CB C 30 27.841 28.672 -0.831 1
1 297 . 7 1 1 A 30 30 GLN N N 30 121.138 125.492 -4.354 1
1 299 . 7 1 1 A 31 31 TYR H H 31 7.532 7.244 0.288 1
1 300 . 7 1 1 A 31 31 TYR HA H 31 4.700 5.229 -0.529 1
1 307 . 7 1 1 A 31 31 TYR C C 31 174.485 174.749 -0.264 1
1 308 . 7 1 1 A 31 31 TYR CA C 31 56.954 57.184 -0.230 1
1 309 . 7 1 1 A 31 31 TYR CB C 31 41.374 41.321 0.053 1
1 314 . 7 1 1 A 31 31 TYR N N 31 114.987 116.215 -1.228 1
1 315 . 7 1 1 A 32 32 LEU H H 32 8.382 8.932 -0.550 1
1 316 . 7 1 1 A 32 32 LEU HA H 32 4.486 5.008 -0.522 1
1 326 . 7 1 1 A 32 32 LEU C C 32 176.526 176.615 -0.089 1
1 327 . 7 1 1 A 32 32 LEU CA C 32 53.216 53.279 -0.063 1
1 328 . 7 1 1 A 32 32 LEU CB C 32 44.134 44.987 -0.853 1
1 332 . 7 1 1 A 32 32 LEU N N 32 123.429 122.129 1.300 1
1 333 . 7 1 1 A 33 33 ALA H H 33 8.805 8.819 -0.014 1
1 334 . 7 1 1 A 33 33 ALA HA H 33 4.469 4.395 0.074 1
1 338 . 7 1 1 A 33 33 ALA C C 33 178.230 177.748 0.482 1
1 339 . 7 1 1 A 33 33 ALA CA C 33 51.183 52.209 -1.026 1
1 340 . 7 1 1 A 33 33 ALA CB C 33 19.852 20.063 -0.211 1
1 341 . 7 1 1 A 33 33 ALA N N 33 126.131 126.728 -0.597 1
1 342 . 7 1 1 A 34 34 LEU H H 34 8.898 8.675 0.223 1
1 343 . 7 1 1 A 34 34 LEU HA H 34 4.088 4.019 0.069 1
1 353 . 7 1 1 A 34 34 LEU C C 34 178.245 175.452 2.793 1
1 354 . 7 1 1 A 34 34 LEU CA C 34 60.712 59.631 1.081 1
1 355 . 7 1 1 A 34 34 LEU CB C 34 39.135 40.679 -1.544 1
1 359 . 7 1 1 A 34 34 LEU N N 34 122.061 121.712 0.349 1
1 360 . 7 1 1 A 35 35 PRO HA H 35 4.378 4.382 -0.004 1
1 367 . 7 1 1 A 35 35 PRO C C 35 179.888 178.877 1.011 1
1 368 . 7 1 1 A 35 35 PRO CA C 35 65.894 65.177 0.717 1
1 369 . 7 1 1 A 35 35 PRO CB C 35 30.618 31.305 -0.687 1
1 372 . 7 1 1 A 36 36 GLU H H 36 6.984 8.442 -1.458 1
1 373 . 7 1 1 A 36 36 GLU HA H 36 4.192 4.055 0.137 1
1 378 . 7 1 1 A 36 36 GLU C C 36 179.230 179.149 0.081 1
1 379 . 7 1 1 A 36 36 GLU CA C 36 58.631 59.771 -1.140 1
1 380 . 7 1 1 A 36 36 GLU CB C 36 30.290 29.365 0.925 1
1 382 . 7 1 1 A 36 36 GLU N N 36 116.910 117.887 -0.977 1
1 383 . 7 1 1 A 37 37 ARG H H 37 8.489 8.098 0.391 1
1 384 . 7 1 1 A 37 37 ARG HA H 37 3.741 3.885 -0.144 1
1 391 . 7 1 1 A 37 37 ARG C C 37 177.835 177.927 -0.092 1
1 392 . 7 1 1 A 37 37 ARG CA C 37 60.076 58.963 1.113 1
1 393 . 7 1 1 A 37 37 ARG CB C 37 30.775 29.951 0.824 1
1 396 . 7 1 1 A 37 37 ARG N N 37 121.545 120.809 0.736 1
1 397 . 7 1 1 A 38 38 ALA H H 38 8.308 7.877 0.431 1
1 398 . 7 1 1 A 38 38 ALA HA H 38 3.941 4.092 -0.151 1
1 402 . 7 1 1 A 38 38 ALA C C 38 180.311 179.990 0.321 1
1 403 . 7 1 1 A 38 38 ALA CA C 38 55.446 54.861 0.585 1
1 404 . 7 1 1 A 38 38 ALA CB C 38 18.082 18.486 -0.404 1
1 405 . 7 1 1 A 38 38 ALA N N 38 120.571 121.674 -1.103 1
1 406 . 7 1 1 A 39 39 GLU H H 39 7.819 7.605 0.214 1
1 407 . 7 1 1 A 39 39 GLU HA H 39 4.125 3.997 0.128 1
1 412 . 7 1 1 A 39 39 GLU C C 39 178.851 179.424 -0.573 1
1 413 . 7 1 1 A 39 39 GLU CA C 39 59.257 59.427 -0.170 1
1 414 . 7 1 1 A 39 39 GLU CB C 39 29.806 29.278 0.528 1
1 416 . 7 1 1 A 39 39 GLU N N 39 119.614 118.212 1.402 1
1 417 . 7 1 1 A 40 40 LEU H H 40 8.251 7.687 0.564 1
1 418 . 7 1 1 A 40 40 LEU HA H 40 4.149 3.982 0.167 1
1 428 . 7 1 1 A 40 40 LEU C C 40 178.939 179.299 -0.360 1
1 429 . 7 1 1 A 40 40 LEU CA C 40 57.625 57.960 -0.335 1
1 430 . 7 1 1 A 40 40 LEU CB C 40 42.239 41.416 0.823 1
1 434 . 7 1 1 A 40 40 LEU N N 40 121.912 119.981 1.931 1
1 435 . 7 1 1 A 41 41 ALA H H 41 8.449 7.877 0.572 1
1 436 . 7 1 1 A 41 41 ALA HA H 41 3.629 4.093 -0.464 1
1 440 . 7 1 1 A 41 41 ALA C C 41 179.199 180.579 -1.380 1
1 441 . 7 1 1 A 41 41 ALA CA C 41 56.202 55.092 1.110 1
1 442 . 7 1 1 A 41 41 ALA CB C 41 17.819 18.005 -0.186 1
1 443 . 7 1 1 A 41 41 ALA N N 41 120.020 122.231 -2.211 1
1 444 . 7 1 1 A 42 42 ALA H H 42 7.800 8.106 -0.306 1
1 445 . 7 1 1 A 42 42 ALA HA H 42 4.240 4.188 0.052 1
1 449 . 7 1 1 A 42 42 ALA C C 42 181.146 179.338 1.808 1
1 450 . 7 1 1 A 42 42 ALA CA C 42 54.991 54.312 0.679 1
1 451 . 7 1 1 A 42 42 ALA CB C 42 17.983 18.365 -0.382 1
1 452 . 7 1 1 A 42 42 ALA N N 42 118.414 120.097 -1.683 1
1 453 . 7 1 1 A 43 43 SER H H 43 8.172 8.120 0.052 1
1 454 . 7 1 1 A 43 43 SER HA H 43 4.314 4.473 -0.159 1
1 457 . 7 1 1 A 43 43 SER C C 43 175.817 176.945 -1.128 1
1 458 . 7 1 1 A 43 43 SER CA C 43 61.138 61.257 -0.119 1
1 459 . 7 1 1 A 43 43 SER CB C 43 63.341 63.424 -0.083 1
1 460 . 7 1 1 A 43 43 SER N N 43 113.508 113.456 0.052 1
1 461 . 7 1 1 A 44 44 LEU H H 44 7.701 8.187 -0.486 1
1 462 . 7 1 1 A 44 44 LEU HA H 44 4.662 4.467 0.195 1
1 472 . 7 1 1 A 44 44 LEU C C 44 177.588 177.105 0.483 1
1 473 . 7 1 1 A 44 44 LEU CA C 44 54.556 55.328 -0.772 1
1 474 . 7 1 1 A 44 44 LEU CB C 44 44.134 42.461 1.673 1
1 478 . 7 1 1 A 44 44 LEU N N 44 117.384 119.120 -1.736 1
1 479 . 7 1 1 A 45 45 GLY H H 45 7.971 7.999 -0.028 1
1 480 . 7 1 1 A 45 45 GLY HA2 H 45 4.130 3.938 0.192 1
1 481 . 7 1 1 A 45 45 GLY HA3 H 45 3.991 3.945 0.046 1
1 482 . 7 1 1 A 45 45 GLY C C 45 174.538 174.229 0.309 1
1 483 . 7 1 1 A 45 45 GLY CA C 45 46.623 45.959 0.664 1
1 484 . 7 1 1 A 45 45 GLY N N 45 110.156 107.317 2.839 1
1 485 . 7 1 1 A 46 46 LEU H H 46 8.012 8.026 -0.014 1
1 486 . 7 1 1 A 46 46 LEU HA H 46 4.914 4.815 0.099 1
1 496 . 7 1 1 A 46 46 LEU C C 46 176.613 175.444 1.169 1
1 497 . 7 1 1 A 46 46 LEU CA C 46 52.652 53.484 -0.832 1
1 498 . 7 1 1 A 46 46 LEU CB C 46 46.882 42.916 3.966 1
1 502 . 7 1 1 A 46 46 LEU N N 46 119.755 121.613 -1.858 1
1 503 . 7 1 1 A 47 47 THR H H 47 8.846 8.391 0.455 1
1 504 . 7 1 1 A 47 47 THR HA H 47 4.681 4.848 -0.167 1
1 509 . 7 1 1 A 47 47 THR C C 47 176.869 175.181 1.688 1
1 510 . 7 1 1 A 47 47 THR CA C 47 60.326 59.645 0.681 1
1 511 . 7 1 1 A 47 47 THR CB C 47 70.720 71.075 -0.355 1
1 513 . 7 1 1 A 47 47 THR N N 47 109.908 114.101 -4.193 1
1 514 . 7 1 1 A 48 48 GLN H H 48 9.324 9.055 0.269 1
1 515 . 7 1 1 A 48 48 GLN HA H 48 3.708 4.046 -0.338 1
1 522 . 7 1 1 A 48 48 GLN C C 48 178.548 177.714 0.834 1
1 523 . 7 1 1 A 48 48 GLN CA C 48 60.839 58.967 1.872 1
1 524 . 7 1 1 A 48 48 GLN CB C 48 27.998 28.117 -0.119 1
1 526 . 7 1 1 A 48 48 GLN N N 48 120.589 126.298 -5.709 1
1 528 . 7 1 1 A 49 49 THR H H 49 8.172 7.596 0.576 1
1 529 . 7 1 1 A 49 49 THR HA H 49 3.908 4.325 -0.417 1
1 534 . 7 1 1 A 49 49 THR CA C 49 66.920 64.828 2.092 1
1 535 . 7 1 1 A 49 49 THR CB C 49 68.671 68.447 0.224 1
1 537 . 7 1 1 A 49 49 THR N N 49 115.925 116.462 -0.537 1
1 538 . 7 1 1 A 50 50 GLN H H 50 8.005 8.321 -0.316 1
1 539 . 7 1 1 A 50 50 GLN HA H 50 4.049 4.522 -0.473 1
1 546 . 7 1 1 A 50 50 GLN C C 50 180.191 178.104 2.087 1
1 547 . 7 1 1 A 50 50 GLN CA C 50 59.633 57.544 2.089 1
1 548 . 7 1 1 A 50 50 GLN CB C 50 28.965 29.920 -0.955 1
1 550 . 7 1 1 A 50 50 GLN N N 50 120.680 120.188 0.492 1
1 552 . 7 1 1 A 51 51 VAL H H 51 7.759 7.877 -0.118 1
1 553 . 7 1 1 A 51 51 VAL HA H 51 3.754 3.808 -0.054 1
1 561 . 7 1 1 A 51 51 VAL C C 51 176.534 178.492 -1.958 1
1 562 . 7 1 1 A 51 51 VAL CA C 51 67.618 66.784 0.834 1
1 563 . 7 1 1 A 51 51 VAL CB C 51 32.052 31.531 0.521 1
1 566 . 7 1 1 A 51 51 VAL N N 51 119.814 120.521 -0.707 1
1 567 . 7 1 1 A 52 52 LYS H H 52 8.504 7.630 0.874 1
1 568 . 7 1 1 A 52 52 LYS HA H 52 4.301 4.124 0.177 1
1 577 . 7 1 1 A 52 52 LYS C C 52 179.918 179.748 0.170 1
1 578 . 7 1 1 A 52 52 LYS CA C 52 60.046 59.504 0.542 1
1 579 . 7 1 1 A 52 52 LYS CB C 52 33.392 32.388 1.004 1
1 583 . 7 1 1 A 52 52 LYS N N 52 121.422 119.583 1.839 1
1 584 . 7 1 1 A 53 53 ILE H H 53 8.775 8.267 0.508 1
1 585 . 7 1 1 A 53 53 ILE HA H 53 3.866 3.691 0.175 1
1 595 . 7 1 1 A 53 53 ILE C C 53 177.447 178.251 -0.804 1
1 596 . 7 1 1 A 53 53 ILE CA C 53 64.285 65.722 -1.437 1
1 597 . 7 1 1 A 53 53 ILE CB C 53 38.066 37.887 0.179 1
1 601 . 7 1 1 A 53 53 ILE N N 53 119.411 120.313 -0.902 1
1 602 . 7 1 1 A 54 54 TRP H H 54 8.052 8.132 -0.080 1
1 603 . 7 1 1 A 54 54 TRP HA H 54 4.005 4.216 -0.211 1
1 612 . 7 1 1 A 54 54 TRP C C 54 179.712 178.271 1.441 1
1 613 . 7 1 1 A 54 54 TRP CA C 54 63.406 61.092 2.314 1
1 614 . 7 1 1 A 54 54 TRP CB C 54 28.935 29.357 -0.422 1
1 620 . 7 1 1 A 54 54 TRP N N 54 122.233 121.523 0.710 1
1 622 . 7 1 1 A 55 55 PHE H H 55 8.720 8.305 0.415 1
1 623 . 7 1 1 A 55 55 PHE HA H 55 3.786 4.530 -0.744 1
1 631 . 7 1 1 A 55 55 PHE C C 55 177.753 178.207 -0.454 1
1 632 . 7 1 1 A 55 55 PHE CA C 55 63.194 62.095 1.099 1
1 633 . 7 1 1 A 55 55 PHE CB C 55 39.739 38.777 0.962 1
1 639 . 7 1 1 A 55 55 PHE N N 55 118.671 117.905 0.766 1
1 640 . 7 1 1 A 56 56 GLN H H 56 8.294 8.727 -0.433 1
1 641 . 7 1 1 A 56 56 GLN HA H 56 3.952 4.025 -0.073 1
1 648 . 7 1 1 A 56 56 GLN C C 56 179.029 178.083 0.946 1
1 649 . 7 1 1 A 56 56 GLN CA C 56 59.414 58.767 0.647 1
1 650 . 7 1 1 A 56 56 GLN CB C 56 28.724 28.796 -0.072 1
1 652 . 7 1 1 A 56 56 GLN N N 56 118.357 120.355 -1.998 1
1 654 . 7 1 1 A 57 57 ASN H H 57 8.580 8.617 -0.037 1
1 655 . 7 1 1 A 57 57 ASN HA H 57 4.315 4.306 0.009 1
1 660 . 7 1 1 A 57 57 ASN C C 57 177.717 177.824 -0.107 1
1 661 . 7 1 1 A 57 57 ASN CA C 57 55.541 56.371 -0.830 1
1 662 . 7 1 1 A 57 57 ASN CB C 57 37.796 37.630 0.166 1
1 663 . 7 1 1 A 57 57 ASN N N 57 118.858 117.481 1.377 1
1 665 . 7 1 1 A 58 58 LYS H H 58 7.761 7.525 0.236 1
1 666 . 7 1 1 A 58 58 LYS HA H 58 3.416 3.553 -0.137 1
1 675 . 7 1 1 A 58 58 LYS C C 58 178.937 179.081 -0.144 1
1 676 . 7 1 1 A 58 58 LYS CA C 58 57.292 59.417 -2.125 1
1 677 . 7 1 1 A 58 58 LYS CB C 58 30.746 31.855 -1.109 1
1 681 . 7 1 1 A 58 58 LYS N N 58 122.418 120.529 1.889 1
1 682 . 7 1 1 A 59 59 ARG H H 59 7.965 8.119 -0.154 1
1 683 . 7 1 1 A 59 59 ARG HA H 59 4.078 4.234 -0.156 1
1 690 . 7 1 1 A 59 59 ARG C C 59 178.804 177.101 1.703 1
1 691 . 7 1 1 A 59 59 ARG CA C 59 60.056 58.631 1.425 1
1 692 . 7 1 1 A 59 59 ARG CB C 59 31.573 30.138 1.435 1
1 695 . 7 1 1 A 59 59 ARG N N 59 116.992 119.736 -2.744 1
1 696 . 7 1 1 A 60 60 SER H H 60 7.733 7.878 -0.145 1
1 697 . 7 1 1 A 60 60 SER HA H 60 4.308 4.458 -0.150 1
1 700 . 7 1 1 A 60 60 SER C C 60 175.262 175.092 0.170 1
1 701 . 7 1 1 A 60 60 SER CA C 60 60.550 58.854 1.696 1
1 702 . 7 1 1 A 60 60 SER CB C 60 63.304 64.032 -0.728 1
1 703 . 7 1 1 A 60 60 SER N N 60 113.717 114.761 -1.044 1
1 704 . 7 1 1 A 61 61 LYS H H 61 7.622 7.717 -0.095 1
1 705 . 7 1 1 A 61 61 LYS HA H 61 4.218 4.568 -0.350 1
1 714 . 7 1 1 A 61 61 LYS C C 61 177.402 176.845 0.557 1
1 715 . 7 1 1 A 61 61 LYS CA C 61 56.989 54.796 2.193 1
1 716 . 7 1 1 A 61 61 LYS CB C 61 32.486 32.334 0.152 1
1 720 . 7 1 1 A 61 61 LYS N N 61 121.107 117.727 3.380 1
1 721 . 7 1 1 A 62 62 ILE H H 62 7.632 7.890 -0.258 1
1 722 . 7 1 1 A 62 62 ILE HA H 62 4.074 4.119 -0.045 1
1 732 . 7 1 1 A 62 62 ILE C C 62 176.614 176.904 -0.290 1
1 733 . 7 1 1 A 62 62 ILE CA C 62 61.960 61.410 0.550 1
1 734 . 7 1 1 A 62 62 ILE CB C 62 38.231 38.308 -0.077 1
1 738 . 7 1 1 A 62 62 ILE N N 62 119.268 118.897 0.371 1
1 739 . 7 1 1 A 63 63 LYS H H 63 8.100 7.747 0.353 1
1 740 . 7 1 1 A 63 63 LYS HA H 63 4.304 3.965 0.339 1
1 747 . 7 1 1 A 63 63 LYS C C 63 176.623 177.400 -0.777 1
1 748 . 7 1 1 A 63 63 LYS CA C 63 56.672 59.882 -3.210 1
1 749 . 7 1 1 A 63 63 LYS CB C 63 32.898 32.130 0.768 1
1 753 . 7 1 1 A 63 63 LYS N N 63 124.673 121.181 3.492 1
1 754 . 7 1 1 A 64 64 LYS H H 64 8.272 8.039 0.233 1
1 755 . 7 1 1 A 64 64 LYS C C 64 176.619 175.896 0.723 1
1 756 . 7 1 1 A 64 64 LYS CA C 64 56.531 54.189 2.342 1
1 757 . 7 1 1 A 64 64 LYS CB C 64 33.017 33.964 -0.947 1
1 758 . 7 1 1 A 64 64 LYS N N 64 122.722 118.320 4.402 1
1 759 . 7 1 1 A 65 65 SER HA H 65 4.533 4.476 0.057 1
1 762 . 7 1 1 A 65 65 SER C C 65 174.501 174.675 -0.174 1
1 763 . 7 1 1 A 65 65 SER CA C 65 58.364 58.836 -0.472 1
1 764 . 7 1 1 A 65 65 SER CB C 65 64.210 63.523 0.687 1
1 765 . 7 1 1 A 66 66 GLY H H 66 8.264 8.497 -0.233 1
1 766 . 7 1 1 A 66 66 GLY C C 66 171.884 172.918 -1.034 1
1 767 . 7 1 1 A 66 66 GLY CA C 66 44.719 44.121 0.598 1
1 768 . 7 1 1 A 66 66 GLY N N 66 110.727 113.294 -2.567 1
1 772 . 7 1 1 A 67 67 PRO CA C 67 63.385 62.786 0.599 1
1 773 . 7 1 1 A 67 67 PRO CB C 67 32.419 32.542 -0.123 1
1 1 . 8 1 1 A 8 8 ARG HA H 8 4.360 5.187 -0.827 1
1 8 . 8 1 1 A 8 8 ARG C C 8 176.260 174.320 1.940 1
1 9 . 8 1 1 A 8 8 ARG CA C 8 55.966 53.835 2.131 1
1 10 . 8 1 1 A 8 8 ARG CB C 8 30.838 34.450 -3.612 1
1 13 . 8 1 1 A 9 9 LYS H H 9 8.400 8.608 -0.208 1
1 14 . 8 1 1 A 9 9 LYS C C 9 174.555 176.486 -1.931 1
1 15 . 8 1 1 A 9 9 LYS CA C 9 54.274 53.085 1.189 1
1 16 . 8 1 1 A 9 9 LYS CB C 9 32.440 33.465 -1.025 1
1 17 . 8 1 1 A 9 9 LYS N N 9 124.470 118.890 5.580 1
1 18 . 8 1 1 A 10 10 PRO HA H 10 4.441 4.450 -0.009 1
1 25 . 8 1 1 A 10 10 PRO C C 10 176.789 175.260 1.529 1
1 26 . 8 1 1 A 10 10 PRO CA C 10 63.088 64.180 -1.092 1
1 27 . 8 1 1 A 10 10 PRO CB C 10 32.156 31.842 0.314 1
1 30 . 8 1 1 A 11 11 ARG H H 11 8.471 7.410 1.061 1
1 31 . 8 1 1 A 11 11 ARG HA H 11 4.370 4.828 -0.458 1
1 36 . 8 1 1 A 11 11 ARG C C 11 176.400 174.363 2.037 1
1 37 . 8 1 1 A 11 11 ARG CA C 11 56.439 54.656 1.783 1
1 38 . 8 1 1 A 11 11 ARG CB C 11 30.710 33.272 -2.562 1
1 40 . 8 1 1 A 11 11 ARG N N 11 121.881 113.932 7.949 1
1 41 . 8 1 1 A 12 12 THR HA H 12 4.270 4.741 -0.471 1
1 46 . 8 1 1 A 12 12 THR C C 12 173.737 175.918 -2.181 1
1 47 . 8 1 1 A 12 12 THR CA C 12 62.101 61.578 0.523 1
1 48 . 8 1 1 A 12 12 THR CB C 12 69.896 70.814 -0.918 1
1 50 . 8 1 1 A 13 13 ILE H H 13 8.215 8.418 -0.203 1
1 51 . 8 1 1 A 13 13 ILE HA H 13 4.063 3.854 0.209 1
1 61 . 8 1 1 A 13 13 ILE C C 13 175.361 175.840 -0.479 1
1 62 . 8 1 1 A 13 13 ILE CA C 13 61.109 63.435 -2.326 1
1 63 . 8 1 1 A 13 13 ILE CB C 13 38.748 38.268 0.480 1
1 67 . 8 1 1 A 13 13 ILE N N 13 124.648 122.880 1.768 1
1 68 . 8 1 1 A 14 14 TYR H H 14 7.928 7.806 0.122 1
1 69 . 8 1 1 A 14 14 TYR HA H 14 4.923 5.280 -0.357 1
1 76 . 8 1 1 A 14 14 TYR C C 14 176.009 175.112 0.897 1
1 77 . 8 1 1 A 14 14 TYR CA C 14 56.425 56.893 -0.468 1
1 78 . 8 1 1 A 14 14 TYR CB C 14 39.984 42.472 -2.488 1
1 83 . 8 1 1 A 14 14 TYR N N 14 122.287 120.042 2.245 1
1 84 . 8 1 1 A 15 15 SER H H 15 9.368 8.626 0.742 1
1 85 . 8 1 1 A 15 15 SER HA H 15 4.639 4.595 0.044 1
1 88 . 8 1 1 A 15 15 SER C C 15 175.065 175.716 -0.651 1
1 89 . 8 1 1 A 15 15 SER CA C 15 56.918 58.847 -1.929 1
1 90 . 8 1 1 A 15 15 SER CB C 15 65.646 63.693 1.953 1
1 91 . 8 1 1 A 15 15 SER N N 15 119.482 119.608 -0.126 1
1 92 . 8 1 1 A 16 16 SER HA H 16 4.181 4.114 0.067 1
1 95 . 8 1 1 A 16 16 SER CA C 16 62.192 62.138 0.054 1
1 96 . 8 1 1 A 16 16 SER CB C 16 62.188 62.554 -0.366 1
1 97 . 8 1 1 A 17 17 PHE H H 17 7.815 8.181 -0.366 1
1 98 . 8 1 1 A 17 17 PHE HA H 17 4.313 4.125 0.188 1
1 106 . 8 1 1 A 17 17 PHE C C 17 177.979 178.092 -0.113 1
1 107 . 8 1 1 A 17 17 PHE CA C 17 60.981 61.414 -0.433 1
1 108 . 8 1 1 A 17 17 PHE CB C 17 39.519 39.183 0.336 1
1 114 . 8 1 1 A 17 17 PHE N N 17 119.320 123.564 -4.244 1
1 115 . 8 1 1 A 18 18 GLN H H 18 7.816 8.212 -0.396 1
1 116 . 8 1 1 A 18 18 GLN HA H 18 3.720 3.480 0.240 1
1 123 . 8 1 1 A 18 18 GLN C C 18 177.456 178.999 -1.543 1
1 124 . 8 1 1 A 18 18 GLN CA C 18 58.902 58.483 0.419 1
1 125 . 8 1 1 A 18 18 GLN CB C 18 28.118 28.220 -0.102 1
1 127 . 8 1 1 A 18 18 GLN N N 18 119.339 118.033 1.306 1
1 129 . 8 1 1 A 19 19 LEU H H 19 8.583 8.295 0.288 1
1 130 . 8 1 1 A 19 19 LEU HA H 19 3.570 3.799 -0.229 1
1 140 . 8 1 1 A 19 19 LEU C C 19 178.761 178.483 0.278 1
1 141 . 8 1 1 A 19 19 LEU CA C 19 57.837 57.723 0.114 1
1 142 . 8 1 1 A 19 19 LEU CB C 19 41.883 41.924 -0.041 1
1 146 . 8 1 1 A 19 19 LEU N N 19 117.368 120.849 -3.481 1
1 147 . 8 1 1 A 20 20 ALA H H 20 7.918 8.544 -0.626 1
1 148 . 8 1 1 A 20 20 ALA HA H 20 4.019 3.954 0.065 1
1 152 . 8 1 1 A 20 20 ALA C C 20 180.256 179.318 0.938 1
1 153 . 8 1 1 A 20 20 ALA CA C 20 54.944 55.366 -0.422 1
1 154 . 8 1 1 A 20 20 ALA CB C 20 17.731 18.613 -0.882 1
1 155 . 8 1 1 A 20 20 ALA N N 20 120.010 120.542 -0.532 1
1 156 . 8 1 1 A 21 21 ALA H H 21 7.313 7.576 -0.263 1
1 157 . 8 1 1 A 21 21 ALA HA H 21 3.945 4.160 -0.215 1
1 161 . 8 1 1 A 21 21 ALA C C 21 181.088 179.227 1.861 1
1 162 . 8 1 1 A 21 21 ALA CA C 21 54.749 54.516 0.233 1
1 163 . 8 1 1 A 21 21 ALA CB C 21 19.723 18.809 0.914 1
1 164 . 8 1 1 A 21 21 ALA N N 21 120.493 119.905 0.588 1
1 165 . 8 1 1 A 22 22 LEU H H 22 8.049 7.925 0.124 1
1 166 . 8 1 1 A 22 22 LEU HA H 22 3.507 3.551 -0.044 1
1 176 . 8 1 1 A 22 22 LEU C C 22 177.768 179.199 -1.431 1
1 177 . 8 1 1 A 22 22 LEU CA C 22 58.418 57.765 0.653 1
1 178 . 8 1 1 A 22 22 LEU CB C 22 38.280 40.858 -2.578 1
1 182 . 8 1 1 A 22 22 LEU N N 22 121.618 118.693 2.925 1
1 183 . 8 1 1 A 23 23 GLN H H 23 8.047 8.159 -0.112 1
1 184 . 8 1 1 A 23 23 GLN HA H 23 4.042 4.259 -0.217 1
1 191 . 8 1 1 A 23 23 GLN C C 23 178.945 178.914 0.031 1
1 192 . 8 1 1 A 23 23 GLN CA C 23 59.172 59.154 0.018 1
1 193 . 8 1 1 A 23 23 GLN CB C 23 28.225 28.173 0.052 1
1 195 . 8 1 1 A 23 23 GLN N N 23 117.012 116.737 0.275 1
1 197 . 8 1 1 A 24 24 ARG H H 24 7.956 7.983 -0.027 1
1 198 . 8 1 1 A 24 24 ARG HA H 24 4.098 4.088 0.010 1
1 205 . 8 1 1 A 24 24 ARG C C 24 179.440 178.351 1.089 1
1 206 . 8 1 1 A 24 24 ARG CA C 24 59.443 59.194 0.249 1
1 207 . 8 1 1 A 24 24 ARG CB C 24 30.290 29.960 0.330 1
1 210 . 8 1 1 A 24 24 ARG N N 24 118.511 121.228 -2.717 1
1 211 . 8 1 1 A 25 25 ARG H H 25 7.768 7.980 -0.212 1
1 212 . 8 1 1 A 25 25 ARG HA H 25 4.380 4.133 0.247 1
1 219 . 8 1 1 A 25 25 ARG C C 25 177.933 178.765 -0.832 1
1 220 . 8 1 1 A 25 25 ARG CA C 25 56.993 58.731 -1.738 1
1 221 . 8 1 1 A 25 25 ARG CB C 25 28.118 29.793 -1.675 1
1 224 . 8 1 1 A 25 25 ARG N N 25 119.018 119.589 -0.571 1
1 225 . 8 1 1 A 26 26 PHE H H 26 8.739 8.181 0.558 1
1 226 . 8 1 1 A 26 26 PHE HA H 26 4.680 4.213 0.467 1
1 234 . 8 1 1 A 26 26 PHE C C 26 175.842 177.235 -1.393 1
1 235 . 8 1 1 A 26 26 PHE CA C 26 60.339 61.718 -1.379 1
1 236 . 8 1 1 A 26 26 PHE CB C 26 39.477 39.178 0.299 1
1 242 . 8 1 1 A 26 26 PHE N N 26 121.838 120.544 1.294 1
1 243 . 8 1 1 A 27 27 GLN H H 27 7.712 7.953 -0.241 1
1 244 . 8 1 1 A 27 27 GLN HA H 27 3.979 3.929 0.050 1
1 251 . 8 1 1 A 27 27 GLN C C 27 177.336 178.097 -0.761 1
1 252 . 8 1 1 A 27 27 GLN CA C 27 57.877 58.452 -0.575 1
1 253 . 8 1 1 A 27 27 GLN CB C 27 28.809 28.878 -0.069 1
1 255 . 8 1 1 A 27 27 GLN N N 27 113.533 117.439 -3.906 1
1 257 . 8 1 1 A 28 28 LYS H H 28 7.469 7.487 -0.018 1
1 258 . 8 1 1 A 28 28 LYS HA H 28 4.316 4.140 0.176 1
1 267 . 8 1 1 A 28 28 LYS C C 28 177.011 176.816 0.195 1
1 268 . 8 1 1 A 28 28 LYS CA C 28 57.805 59.035 -1.230 1
1 269 . 8 1 1 A 28 28 LYS CB C 28 33.639 32.670 0.969 1
1 273 . 8 1 1 A 28 28 LYS N N 28 117.851 118.058 -0.207 1
1 274 . 8 1 1 A 29 29 THR H H 29 8.373 7.862 0.511 1
1 275 . 8 1 1 A 29 29 THR HA H 29 4.457 4.636 -0.179 1
1 280 . 8 1 1 A 29 29 THR C C 29 171.650 173.926 -2.276 1
1 281 . 8 1 1 A 29 29 THR CA C 29 59.598 60.245 -0.647 1
1 282 . 8 1 1 A 29 29 THR CB C 29 70.546 71.081 -0.535 1
1 284 . 8 1 1 A 29 29 THR N N 29 113.944 109.773 4.171 1
1 285 . 8 1 1 A 30 30 GLN H H 30 8.210 8.488 -0.278 1
1 286 . 8 1 1 A 30 30 GLN HA H 30 3.863 4.375 -0.512 1
1 293 . 8 1 1 A 30 30 GLN C C 30 174.111 176.039 -1.928 1
1 294 . 8 1 1 A 30 30 GLN CA C 30 56.868 58.135 -1.267 1
1 295 . 8 1 1 A 30 30 GLN CB C 30 27.841 29.841 -2.000 1
1 297 . 8 1 1 A 30 30 GLN N N 30 121.138 125.038 -3.900 1
1 299 . 8 1 1 A 31 31 TYR H H 31 7.532 7.649 -0.117 1
1 300 . 8 1 1 A 31 31 TYR HA H 31 4.700 5.225 -0.525 1
1 307 . 8 1 1 A 31 31 TYR C C 31 174.485 175.324 -0.839 1
1 308 . 8 1 1 A 31 31 TYR CA C 31 56.954 57.475 -0.521 1
1 309 . 8 1 1 A 31 31 TYR CB C 31 41.374 40.999 0.375 1
1 314 . 8 1 1 A 31 31 TYR N N 31 114.987 117.013 -2.026 1
1 315 . 8 1 1 A 32 32 LEU H H 32 8.382 8.754 -0.372 1
1 316 . 8 1 1 A 32 32 LEU HA H 32 4.486 4.952 -0.466 1
1 326 . 8 1 1 A 32 32 LEU C C 32 176.526 176.654 -0.128 1
1 327 . 8 1 1 A 32 32 LEU CA C 32 53.216 53.301 -0.085 1
1 328 . 8 1 1 A 32 32 LEU CB C 32 44.134 45.311 -1.177 1
1 332 . 8 1 1 A 32 32 LEU N N 32 123.429 123.044 0.385 1
1 333 . 8 1 1 A 33 33 ALA H H 33 8.805 8.836 -0.031 1
1 334 . 8 1 1 A 33 33 ALA HA H 33 4.469 4.402 0.067 1
1 338 . 8 1 1 A 33 33 ALA C C 33 178.230 177.549 0.681 1
1 339 . 8 1 1 A 33 33 ALA CA C 33 51.183 52.062 -0.879 1
1 340 . 8 1 1 A 33 33 ALA CB C 33 19.852 20.204 -0.352 1
1 341 . 8 1 1 A 33 33 ALA N N 33 126.131 126.084 0.047 1
1 342 . 8 1 1 A 34 34 LEU H H 34 8.898 8.732 0.166 1
1 343 . 8 1 1 A 34 34 LEU HA H 34 4.088 4.047 0.041 1
1 353 . 8 1 1 A 34 34 LEU C C 34 178.245 175.414 2.831 1
1 354 . 8 1 1 A 34 34 LEU CA C 34 60.712 59.654 1.058 1
1 355 . 8 1 1 A 34 34 LEU CB C 34 39.135 40.753 -1.618 1
1 359 . 8 1 1 A 34 34 LEU N N 34 122.061 120.550 1.511 1
1 360 . 8 1 1 A 35 35 PRO HA H 35 4.378 4.313 0.065 1
1 367 . 8 1 1 A 35 35 PRO C C 35 179.888 179.085 0.803 1
1 368 . 8 1 1 A 35 35 PRO CA C 35 65.894 65.413 0.481 1
1 369 . 8 1 1 A 35 35 PRO CB C 35 30.618 30.670 -0.052 1
1 372 . 8 1 1 A 36 36 GLU H H 36 6.984 8.439 -1.455 1
1 373 . 8 1 1 A 36 36 GLU HA H 36 4.192 4.028 0.164 1
1 378 . 8 1 1 A 36 36 GLU C C 36 179.230 179.286 -0.056 1
1 379 . 8 1 1 A 36 36 GLU CA C 36 58.631 60.141 -1.510 1
1 380 . 8 1 1 A 36 36 GLU CB C 36 30.290 28.921 1.369 1
1 382 . 8 1 1 A 36 36 GLU N N 36 116.910 118.116 -1.206 1
1 383 . 8 1 1 A 37 37 ARG H H 37 8.489 8.532 -0.043 1
1 384 . 8 1 1 A 37 37 ARG HA H 37 3.741 3.902 -0.161 1
1 391 . 8 1 1 A 37 37 ARG C C 37 177.835 178.307 -0.472 1
1 392 . 8 1 1 A 37 37 ARG CA C 37 60.076 58.704 1.372 1
1 393 . 8 1 1 A 37 37 ARG CB C 37 30.775 29.666 1.109 1
1 396 . 8 1 1 A 37 37 ARG N N 37 121.545 120.455 1.090 1
1 397 . 8 1 1 A 38 38 ALA H H 38 8.308 7.810 0.498 1
1 398 . 8 1 1 A 38 38 ALA HA H 38 3.941 4.017 -0.076 1
1 402 . 8 1 1 A 38 38 ALA C C 38 180.311 179.529 0.782 1
1 403 . 8 1 1 A 38 38 ALA CA C 38 55.446 55.033 0.413 1
1 404 . 8 1 1 A 38 38 ALA CB C 38 18.082 18.396 -0.314 1
1 405 . 8 1 1 A 38 38 ALA N N 38 120.571 121.204 -0.633 1
1 406 . 8 1 1 A 39 39 GLU H H 39 7.819 8.085 -0.266 1
1 407 . 8 1 1 A 39 39 GLU HA H 39 4.125 4.076 0.049 1
1 412 . 8 1 1 A 39 39 GLU C C 39 178.851 178.942 -0.091 1
1 413 . 8 1 1 A 39 39 GLU CA C 39 59.257 59.253 0.004 1
1 414 . 8 1 1 A 39 39 GLU CB C 39 29.806 29.326 0.480 1
1 416 . 8 1 1 A 39 39 GLU N N 39 119.614 119.120 0.494 1
1 417 . 8 1 1 A 40 40 LEU H H 40 8.251 8.120 0.131 1
1 418 . 8 1 1 A 40 40 LEU HA H 40 4.149 4.108 0.041 1
1 428 . 8 1 1 A 40 40 LEU C C 40 178.939 179.465 -0.526 1
1 429 . 8 1 1 A 40 40 LEU CA C 40 57.625 57.630 -0.005 1
1 430 . 8 1 1 A 40 40 LEU CB C 40 42.239 40.835 1.404 1
1 434 . 8 1 1 A 40 40 LEU N N 40 121.912 119.543 2.369 1
1 435 . 8 1 1 A 41 41 ALA H H 41 8.449 7.551 0.898 1
1 436 . 8 1 1 A 41 41 ALA HA H 41 3.629 4.101 -0.472 1
1 440 . 8 1 1 A 41 41 ALA C C 41 179.199 179.403 -0.204 1
1 441 . 8 1 1 A 41 41 ALA CA C 41 56.202 55.042 1.160 1
1 442 . 8 1 1 A 41 41 ALA CB C 41 17.819 18.101 -0.282 1
1 443 . 8 1 1 A 41 41 ALA N N 41 120.020 122.124 -2.104 1
1 444 . 8 1 1 A 42 42 ALA H H 42 7.800 7.995 -0.195 1
1 445 . 8 1 1 A 42 42 ALA HA H 42 4.240 4.258 -0.018 1
1 449 . 8 1 1 A 42 42 ALA C C 42 181.146 179.109 2.037 1
1 450 . 8 1 1 A 42 42 ALA CA C 42 54.991 54.848 0.143 1
1 451 . 8 1 1 A 42 42 ALA CB C 42 17.983 19.010 -1.027 1
1 452 . 8 1 1 A 42 42 ALA N N 42 118.414 119.970 -1.556 1
1 453 . 8 1 1 A 43 43 SER H H 43 8.172 8.257 -0.085 1
1 454 . 8 1 1 A 43 43 SER HA H 43 4.314 4.242 0.072 1
1 457 . 8 1 1 A 43 43 SER C C 43 175.817 177.566 -1.749 1
1 458 . 8 1 1 A 43 43 SER CA C 43 61.138 61.581 -0.443 1
1 459 . 8 1 1 A 43 43 SER CB C 43 63.341 63.078 0.263 1
1 460 . 8 1 1 A 43 43 SER N N 43 113.508 113.482 0.026 1
1 461 . 8 1 1 A 44 44 LEU H H 44 7.701 7.796 -0.095 1
1 462 . 8 1 1 A 44 44 LEU HA H 44 4.662 4.302 0.360 1
1 472 . 8 1 1 A 44 44 LEU C C 44 177.588 177.013 0.575 1
1 473 . 8 1 1 A 44 44 LEU CA C 44 54.556 55.611 -1.055 1
1 474 . 8 1 1 A 44 44 LEU CB C 44 44.134 42.611 1.523 1
1 478 . 8 1 1 A 44 44 LEU N N 44 117.384 118.609 -1.225 1
1 479 . 8 1 1 A 45 45 GLY H H 45 7.971 7.975 -0.004 1
1 480 . 8 1 1 A 45 45 GLY HA2 H 45 4.130 3.976 0.154 1
1 481 . 8 1 1 A 45 45 GLY HA3 H 45 3.991 4.005 -0.014 1
1 482 . 8 1 1 A 45 45 GLY C C 45 174.538 174.297 0.241 1
1 483 . 8 1 1 A 45 45 GLY CA C 45 46.623 45.624 0.999 1
1 484 . 8 1 1 A 45 45 GLY N N 45 110.156 106.392 3.764 1
1 485 . 8 1 1 A 46 46 LEU H H 46 8.012 7.995 0.017 1
1 486 . 8 1 1 A 46 46 LEU HA H 46 4.914 4.784 0.130 1
1 496 . 8 1 1 A 46 46 LEU C C 46 176.613 175.557 1.056 1
1 497 . 8 1 1 A 46 46 LEU CA C 46 52.652 53.568 -0.916 1
1 498 . 8 1 1 A 46 46 LEU CB C 46 46.882 42.740 4.142 1
1 502 . 8 1 1 A 46 46 LEU N N 46 119.755 121.586 -1.831 1
1 503 . 8 1 1 A 47 47 THR H H 47 8.846 8.329 0.517 1
1 504 . 8 1 1 A 47 47 THR HA H 47 4.681 4.840 -0.159 1
1 509 . 8 1 1 A 47 47 THR C C 47 176.869 175.667 1.202 1
1 510 . 8 1 1 A 47 47 THR CA C 47 60.326 59.527 0.799 1
1 511 . 8 1 1 A 47 47 THR CB C 47 70.720 70.841 -0.121 1
1 513 . 8 1 1 A 47 47 THR N N 47 109.908 114.010 -4.102 1
1 514 . 8 1 1 A 48 48 GLN H H 48 9.324 9.053 0.271 1
1 515 . 8 1 1 A 48 48 GLN HA H 48 3.708 3.899 -0.191 1
1 522 . 8 1 1 A 48 48 GLN C C 48 178.548 178.062 0.486 1
1 523 . 8 1 1 A 48 48 GLN CA C 48 60.839 59.501 1.338 1
1 524 . 8 1 1 A 48 48 GLN CB C 48 27.998 28.252 -0.254 1
1 526 . 8 1 1 A 48 48 GLN N N 48 120.589 127.299 -6.710 1
1 528 . 8 1 1 A 49 49 THR H H 49 8.172 7.486 0.686 1
1 529 . 8 1 1 A 49 49 THR HA H 49 3.908 3.961 -0.053 1
1 534 . 8 1 1 A 49 49 THR CA C 49 66.920 66.614 0.306 1
1 535 . 8 1 1 A 49 49 THR CB C 49 68.671 68.204 0.467 1
1 537 . 8 1 1 A 49 49 THR N N 49 115.925 117.891 -1.966 1
1 538 . 8 1 1 A 50 50 GLN H H 50 8.005 8.103 -0.098 1
1 539 . 8 1 1 A 50 50 GLN HA H 50 4.049 4.340 -0.291 1
1 546 . 8 1 1 A 50 50 GLN C C 50 180.191 178.614 1.577 1
1 547 . 8 1 1 A 50 50 GLN CA C 50 59.633 58.216 1.417 1
1 548 . 8 1 1 A 50 50 GLN CB C 50 28.965 29.336 -0.371 1
1 550 . 8 1 1 A 50 50 GLN N N 50 120.680 119.738 0.942 1
1 552 . 8 1 1 A 51 51 VAL H H 51 7.759 8.198 -0.439 1
1 553 . 8 1 1 A 51 51 VAL HA H 51 3.754 3.731 0.023 1
1 561 . 8 1 1 A 51 51 VAL C C 51 176.534 178.380 -1.846 1
1 562 . 8 1 1 A 51 51 VAL CA C 51 67.618 66.724 0.894 1
1 563 . 8 1 1 A 51 51 VAL CB C 51 32.052 31.442 0.610 1
1 566 . 8 1 1 A 51 51 VAL N N 51 119.814 120.517 -0.703 1
1 567 . 8 1 1 A 52 52 LYS H H 52 8.504 8.015 0.489 1
1 568 . 8 1 1 A 52 52 LYS HA H 52 4.301 3.986 0.315 1
1 577 . 8 1 1 A 52 52 LYS C C 52 179.918 179.793 0.125 1
1 578 . 8 1 1 A 52 52 LYS CA C 52 60.046 59.597 0.449 1
1 579 . 8 1 1 A 52 52 LYS CB C 52 33.392 32.341 1.051 1
1 583 . 8 1 1 A 52 52 LYS N N 52 121.422 119.200 2.222 1
1 584 . 8 1 1 A 53 53 ILE H H 53 8.775 7.738 1.037 1
1 585 . 8 1 1 A 53 53 ILE HA H 53 3.866 3.676 0.190 1
1 595 . 8 1 1 A 53 53 ILE C C 53 177.447 178.290 -0.843 1
1 596 . 8 1 1 A 53 53 ILE CA C 53 64.285 65.474 -1.189 1
1 597 . 8 1 1 A 53 53 ILE CB C 53 38.066 37.855 0.211 1
1 601 . 8 1 1 A 53 53 ILE N N 53 119.411 120.229 -0.818 1
1 602 . 8 1 1 A 54 54 TRP H H 54 8.052 8.125 -0.073 1
1 603 . 8 1 1 A 54 54 TRP HA H 54 4.005 4.126 -0.121 1
1 612 . 8 1 1 A 54 54 TRP C C 54 179.712 178.335 1.377 1
1 613 . 8 1 1 A 54 54 TRP CA C 54 63.406 61.278 2.128 1
1 614 . 8 1 1 A 54 54 TRP CB C 54 28.935 29.291 -0.356 1
1 620 . 8 1 1 A 54 54 TRP N N 54 122.233 121.842 0.391 1
1 622 . 8 1 1 A 55 55 PHE H H 55 8.720 8.036 0.684 1
1 623 . 8 1 1 A 55 55 PHE HA H 55 3.786 4.405 -0.619 1
1 631 . 8 1 1 A 55 55 PHE C C 55 177.753 178.108 -0.355 1
1 632 . 8 1 1 A 55 55 PHE CA C 55 63.194 61.529 1.665 1
1 633 . 8 1 1 A 55 55 PHE CB C 55 39.739 39.069 0.670 1
1 639 . 8 1 1 A 55 55 PHE N N 55 118.671 117.461 1.210 1
1 640 . 8 1 1 A 56 56 GLN H H 56 8.294 8.696 -0.402 1
1 641 . 8 1 1 A 56 56 GLN HA H 56 3.952 3.949 0.003 1
1 648 . 8 1 1 A 56 56 GLN C C 56 179.029 178.066 0.963 1
1 649 . 8 1 1 A 56 56 GLN CA C 56 59.414 58.721 0.693 1
1 650 . 8 1 1 A 56 56 GLN CB C 56 28.724 28.733 -0.009 1
1 652 . 8 1 1 A 56 56 GLN N N 56 118.357 119.483 -1.126 1
1 654 . 8 1 1 A 57 57 ASN H H 57 8.580 8.525 0.055 1
1 655 . 8 1 1 A 57 57 ASN HA H 57 4.315 4.345 -0.030 1
1 660 . 8 1 1 A 57 57 ASN C C 57 177.717 178.234 -0.517 1
1 661 . 8 1 1 A 57 57 ASN CA C 57 55.541 55.766 -0.225 1
1 662 . 8 1 1 A 57 57 ASN CB C 57 37.796 38.340 -0.544 1
1 663 . 8 1 1 A 57 57 ASN N N 57 118.858 117.101 1.757 1
1 665 . 8 1 1 A 58 58 LYS H H 58 7.761 7.618 0.143 1
1 666 . 8 1 1 A 58 58 LYS HA H 58 3.416 3.727 -0.311 1
1 675 . 8 1 1 A 58 58 LYS C C 58 178.937 179.532 -0.595 1
1 676 . 8 1 1 A 58 58 LYS CA C 58 57.292 59.314 -2.022 1
1 677 . 8 1 1 A 58 58 LYS CB C 58 30.746 31.550 -0.804 1
1 681 . 8 1 1 A 58 58 LYS N N 58 122.418 120.622 1.796 1
1 682 . 8 1 1 A 59 59 ARG H H 59 7.965 8.006 -0.041 1
1 683 . 8 1 1 A 59 59 ARG HA H 59 4.078 4.201 -0.123 1
1 690 . 8 1 1 A 59 59 ARG C C 59 178.804 178.938 -0.134 1
1 691 . 8 1 1 A 59 59 ARG CA C 59 60.056 59.836 0.220 1
1 692 . 8 1 1 A 59 59 ARG CB C 59 31.573 30.095 1.478 1
1 695 . 8 1 1 A 59 59 ARG N N 59 116.992 119.821 -2.829 1
1 696 . 8 1 1 A 60 60 SER H H 60 7.733 7.920 -0.187 1
1 697 . 8 1 1 A 60 60 SER HA H 60 4.308 4.145 0.163 1
1 700 . 8 1 1 A 60 60 SER C C 60 175.262 175.898 -0.636 1
1 701 . 8 1 1 A 60 60 SER CA C 60 60.550 62.340 -1.790 1
1 702 . 8 1 1 A 60 60 SER CB C 60 63.304 62.775 0.529 1
1 703 . 8 1 1 A 60 60 SER N N 60 113.717 117.063 -3.346 1
1 704 . 8 1 1 A 61 61 LYS H H 61 7.622 7.553 0.069 1
1 705 . 8 1 1 A 61 61 LYS HA H 61 4.218 4.036 0.182 1
1 714 . 8 1 1 A 61 61 LYS C C 61 177.402 177.312 0.090 1
1 715 . 8 1 1 A 61 61 LYS CA C 61 56.989 59.032 -2.043 1
1 716 . 8 1 1 A 61 61 LYS CB C 61 32.486 31.911 0.575 1
1 720 . 8 1 1 A 61 61 LYS N N 61 121.107 120.427 0.680 1
1 721 . 8 1 1 A 62 62 ILE H H 62 7.632 7.515 0.117 1
1 722 . 8 1 1 A 62 62 ILE HA H 62 4.074 4.091 -0.017 1
1 732 . 8 1 1 A 62 62 ILE C C 62 176.614 175.735 0.879 1
1 733 . 8 1 1 A 62 62 ILE CA C 62 61.960 62.173 -0.213 1
1 734 . 8 1 1 A 62 62 ILE CB C 62 38.231 37.572 0.659 1
1 738 . 8 1 1 A 62 62 ILE N N 62 119.268 117.619 1.649 1
1 739 . 8 1 1 A 63 63 LYS H H 63 8.100 8.360 -0.260 1
1 740 . 8 1 1 A 63 63 LYS HA H 63 4.304 4.087 0.217 1
1 747 . 8 1 1 A 63 63 LYS C C 63 176.623 176.972 -0.349 1
1 748 . 8 1 1 A 63 63 LYS CA C 63 56.672 60.067 -3.395 1
1 749 . 8 1 1 A 63 63 LYS CB C 63 32.898 32.668 0.230 1
1 753 . 8 1 1 A 63 63 LYS N N 63 124.673 128.033 -3.360 1
1 754 . 8 1 1 A 64 64 LYS H H 64 8.272 7.608 0.664 1
1 755 . 8 1 1 A 64 64 LYS C C 64 176.619 175.748 0.871 1
1 756 . 8 1 1 A 64 64 LYS CA C 64 56.531 55.916 0.615 1
1 757 . 8 1 1 A 64 64 LYS CB C 64 33.017 33.042 -0.025 1
1 758 . 8 1 1 A 64 64 LYS N N 64 122.722 117.969 4.753 1
1 759 . 8 1 1 A 65 65 SER HA H 65 4.533 5.090 -0.557 1
1 762 . 8 1 1 A 65 65 SER C C 65 174.501 174.256 0.245 1
1 763 . 8 1 1 A 65 65 SER CA C 65 58.364 57.332 1.032 1
1 764 . 8 1 1 A 65 65 SER CB C 65 64.210 65.169 -0.959 1
1 765 . 8 1 1 A 66 66 GLY H H 66 8.264 8.168 0.096 1
1 766 . 8 1 1 A 66 66 GLY C C 66 171.884 173.840 -1.956 1
1 767 . 8 1 1 A 66 66 GLY CA C 66 44.719 45.800 -1.081 1
1 768 . 8 1 1 A 66 66 GLY N N 66 110.727 110.456 0.271 1
1 772 . 8 1 1 A 67 67 PRO CA C 67 63.385 64.211 -0.826 1
1 773 . 8 1 1 A 67 67 PRO CB C 67 32.419 31.687 0.732 1
1 1 . 9 1 1 A 8 8 ARG HA H 8 4.360 3.931 0.429 1
1 8 . 9 1 1 A 8 8 ARG C C 8 176.260 176.062 0.198 1
1 9 . 9 1 1 A 8 8 ARG CA C 8 55.966 58.800 -2.834 1
1 10 . 9 1 1 A 8 8 ARG CB C 8 30.838 30.352 0.486 1
1 13 . 9 1 1 A 9 9 LYS H H 9 8.400 7.902 0.498 1
1 14 . 9 1 1 A 9 9 LYS C C 9 174.555 176.367 -1.812 1
1 15 . 9 1 1 A 9 9 LYS CA C 9 54.274 53.914 0.360 1
1 16 . 9 1 1 A 9 9 LYS CB C 9 32.440 32.172 0.268 1
1 17 . 9 1 1 A 9 9 LYS N N 9 124.470 117.609 6.861 1
1 18 . 9 1 1 A 10 10 PRO HA H 10 4.441 4.451 -0.010 1
1 25 . 9 1 1 A 10 10 PRO C C 10 176.789 175.389 1.400 1
1 26 . 9 1 1 A 10 10 PRO CA C 10 63.088 64.163 -1.075 1
1 27 . 9 1 1 A 10 10 PRO CB C 10 32.156 31.794 0.362 1
1 30 . 9 1 1 A 11 11 ARG H H 11 8.471 7.449 1.022 1
1 31 . 9 1 1 A 11 11 ARG HA H 11 4.370 4.905 -0.535 1
1 36 . 9 1 1 A 11 11 ARG C C 11 176.400 174.877 1.523 1
1 37 . 9 1 1 A 11 11 ARG CA C 11 56.439 54.497 1.942 1
1 38 . 9 1 1 A 11 11 ARG CB C 11 30.710 33.357 -2.647 1
1 40 . 9 1 1 A 11 11 ARG N N 11 121.881 113.502 8.379 1
1 41 . 9 1 1 A 12 12 THR HA H 12 4.270 4.537 -0.267 1
1 46 . 9 1 1 A 12 12 THR C C 12 173.737 176.166 -2.429 1
1 47 . 9 1 1 A 12 12 THR CA C 12 62.101 62.792 -0.691 1
1 48 . 9 1 1 A 12 12 THR CB C 12 69.896 69.855 0.041 1
1 50 . 9 1 1 A 13 13 ILE H H 13 8.215 8.636 -0.421 1
1 51 . 9 1 1 A 13 13 ILE HA H 13 4.063 3.846 0.217 1
1 61 . 9 1 1 A 13 13 ILE C C 13 175.361 175.793 -0.432 1
1 62 . 9 1 1 A 13 13 ILE CA C 13 61.109 63.707 -2.598 1
1 63 . 9 1 1 A 13 13 ILE CB C 13 38.748 38.056 0.692 1
1 67 . 9 1 1 A 13 13 ILE N N 13 124.648 124.216 0.432 1
1 68 . 9 1 1 A 14 14 TYR H H 14 7.928 7.804 0.124 1
1 69 . 9 1 1 A 14 14 TYR HA H 14 4.923 5.270 -0.347 1
1 76 . 9 1 1 A 14 14 TYR C C 14 176.009 175.098 0.911 1
1 77 . 9 1 1 A 14 14 TYR CA C 14 56.425 56.942 -0.517 1
1 78 . 9 1 1 A 14 14 TYR CB C 14 39.984 42.467 -2.483 1
1 83 . 9 1 1 A 14 14 TYR N N 14 122.287 119.780 2.507 1
1 84 . 9 1 1 A 15 15 SER H H 15 9.368 8.219 1.149 1
1 85 . 9 1 1 A 15 15 SER HA H 15 4.639 4.615 0.024 1
1 88 . 9 1 1 A 15 15 SER C C 15 175.065 175.626 -0.561 1
1 89 . 9 1 1 A 15 15 SER CA C 15 56.918 58.752 -1.834 1
1 90 . 9 1 1 A 15 15 SER CB C 15 65.646 63.707 1.939 1
1 91 . 9 1 1 A 15 15 SER N N 15 119.482 118.739 0.743 1
1 92 . 9 1 1 A 16 16 SER HA H 16 4.181 4.082 0.099 1
1 95 . 9 1 1 A 16 16 SER CA C 16 62.192 61.967 0.225 1
1 96 . 9 1 1 A 16 16 SER CB C 16 62.188 62.395 -0.207 1
1 97 . 9 1 1 A 17 17 PHE H H 17 7.815 8.120 -0.305 1
1 98 . 9 1 1 A 17 17 PHE HA H 17 4.313 4.140 0.173 1
1 106 . 9 1 1 A 17 17 PHE C C 17 177.979 178.140 -0.161 1
1 107 . 9 1 1 A 17 17 PHE CA C 17 60.981 61.591 -0.610 1
1 108 . 9 1 1 A 17 17 PHE CB C 17 39.519 39.107 0.412 1
1 114 . 9 1 1 A 17 17 PHE N N 17 119.320 123.897 -4.577 1
1 115 . 9 1 1 A 18 18 GLN H H 18 7.816 8.163 -0.347 1
1 116 . 9 1 1 A 18 18 GLN HA H 18 3.720 3.519 0.201 1
1 123 . 9 1 1 A 18 18 GLN C C 18 177.456 178.780 -1.324 1
1 124 . 9 1 1 A 18 18 GLN CA C 18 58.902 58.438 0.464 1
1 125 . 9 1 1 A 18 18 GLN CB C 18 28.118 28.506 -0.388 1
1 127 . 9 1 1 A 18 18 GLN N N 18 119.339 118.323 1.016 1
1 129 . 9 1 1 A 19 19 LEU H H 19 8.583 8.474 0.109 1
1 130 . 9 1 1 A 19 19 LEU HA H 19 3.570 3.719 -0.149 1
1 140 . 9 1 1 A 19 19 LEU C C 19 178.761 178.649 0.112 1
1 141 . 9 1 1 A 19 19 LEU CA C 19 57.837 57.674 0.163 1
1 142 . 9 1 1 A 19 19 LEU CB C 19 41.883 42.110 -0.227 1
1 146 . 9 1 1 A 19 19 LEU N N 19 117.368 120.605 -3.237 1
1 147 . 9 1 1 A 20 20 ALA H H 20 7.918 8.527 -0.609 1
1 148 . 9 1 1 A 20 20 ALA HA H 20 4.019 3.982 0.037 1
1 152 . 9 1 1 A 20 20 ALA C C 20 180.256 179.697 0.559 1
1 153 . 9 1 1 A 20 20 ALA CA C 20 54.944 55.580 -0.636 1
1 154 . 9 1 1 A 20 20 ALA CB C 20 17.731 18.706 -0.975 1
1 155 . 9 1 1 A 20 20 ALA N N 20 120.010 120.637 -0.627 1
1 156 . 9 1 1 A 21 21 ALA H H 21 7.313 7.183 0.130 1
1 157 . 9 1 1 A 21 21 ALA HA H 21 3.945 4.013 -0.068 1
1 161 . 9 1 1 A 21 21 ALA C C 21 181.088 179.355 1.733 1
1 162 . 9 1 1 A 21 21 ALA CA C 21 54.749 54.829 -0.080 1
1 163 . 9 1 1 A 21 21 ALA CB C 21 19.723 18.432 1.291 1
1 164 . 9 1 1 A 21 21 ALA N N 21 120.493 120.434 0.059 1
1 165 . 9 1 1 A 22 22 LEU H H 22 8.049 7.995 0.054 1
1 166 . 9 1 1 A 22 22 LEU HA H 22 3.507 3.614 -0.107 1
1 176 . 9 1 1 A 22 22 LEU C C 22 177.768 178.565 -0.797 1
1 177 . 9 1 1 A 22 22 LEU CA C 22 58.418 57.511 0.907 1
1 178 . 9 1 1 A 22 22 LEU CB C 22 38.280 40.751 -2.471 1
1 182 . 9 1 1 A 22 22 LEU N N 22 121.618 118.261 3.357 1
1 183 . 9 1 1 A 23 23 GLN H H 23 8.047 8.346 -0.299 1
1 184 . 9 1 1 A 23 23 GLN HA H 23 4.042 4.057 -0.015 1
1 191 . 9 1 1 A 23 23 GLN C C 23 178.945 178.627 0.318 1
1 192 . 9 1 1 A 23 23 GLN CA C 23 59.172 59.310 -0.138 1
1 193 . 9 1 1 A 23 23 GLN CB C 23 28.225 28.189 0.036 1
1 195 . 9 1 1 A 23 23 GLN N N 23 117.012 116.894 0.118 1
1 197 . 9 1 1 A 24 24 ARG H H 24 7.956 7.656 0.300 1
1 198 . 9 1 1 A 24 24 ARG HA H 24 4.098 4.019 0.079 1
1 205 . 9 1 1 A 24 24 ARG C C 24 179.440 178.668 0.772 1
1 206 . 9 1 1 A 24 24 ARG CA C 24 59.443 59.430 0.013 1
1 207 . 9 1 1 A 24 24 ARG CB C 24 30.290 29.919 0.371 1
1 210 . 9 1 1 A 24 24 ARG N N 24 118.511 120.375 -1.864 1
1 211 . 9 1 1 A 25 25 ARG H H 25 7.768 7.836 -0.068 1
1 212 . 9 1 1 A 25 25 ARG HA H 25 4.380 4.145 0.235 1
1 219 . 9 1 1 A 25 25 ARG C C 25 177.933 178.326 -0.393 1
1 220 . 9 1 1 A 25 25 ARG CA C 25 56.993 59.065 -2.072 1
1 221 . 9 1 1 A 25 25 ARG CB C 25 28.118 30.007 -1.889 1
1 224 . 9 1 1 A 25 25 ARG N N 25 119.018 119.861 -0.843 1
1 225 . 9 1 1 A 26 26 PHE H H 26 8.739 8.455 0.284 1
1 226 . 9 1 1 A 26 26 PHE HA H 26 4.680 4.282 0.398 1
1 234 . 9 1 1 A 26 26 PHE C C 26 175.842 177.159 -1.317 1
1 235 . 9 1 1 A 26 26 PHE CA C 26 60.339 62.020 -1.681 1
1 236 . 9 1 1 A 26 26 PHE CB C 26 39.477 39.131 0.346 1
1 242 . 9 1 1 A 26 26 PHE N N 26 121.838 120.322 1.516 1
1 243 . 9 1 1 A 27 27 GLN H H 27 7.712 8.423 -0.711 1
1 244 . 9 1 1 A 27 27 GLN HA H 27 3.979 3.754 0.225 1
1 251 . 9 1 1 A 27 27 GLN C C 27 177.336 178.789 -1.453 1
1 252 . 9 1 1 A 27 27 GLN CA C 27 57.877 59.288 -1.411 1
1 253 . 9 1 1 A 27 27 GLN CB C 27 28.809 28.091 0.718 1
1 255 . 9 1 1 A 27 27 GLN N N 27 113.533 117.942 -4.409 1
1 257 . 9 1 1 A 28 28 LYS H H 28 7.469 7.055 0.414 1
1 258 . 9 1 1 A 28 28 LYS HA H 28 4.316 4.142 0.174 1
1 267 . 9 1 1 A 28 28 LYS C C 28 177.011 176.655 0.356 1
1 268 . 9 1 1 A 28 28 LYS CA C 28 57.805 59.016 -1.211 1
1 269 . 9 1 1 A 28 28 LYS CB C 28 33.639 32.547 1.092 1
1 273 . 9 1 1 A 28 28 LYS N N 28 117.851 119.442 -1.591 1
1 274 . 9 1 1 A 29 29 THR H H 29 8.373 7.906 0.467 1
1 275 . 9 1 1 A 29 29 THR HA H 29 4.457 4.607 -0.150 1
1 280 . 9 1 1 A 29 29 THR C C 29 171.650 173.253 -1.603 1
1 281 . 9 1 1 A 29 29 THR CA C 29 59.598 60.043 -0.445 1
1 282 . 9 1 1 A 29 29 THR CB C 29 70.546 70.863 -0.317 1
1 284 . 9 1 1 A 29 29 THR N N 29 113.944 109.868 4.076 1
1 285 . 9 1 1 A 30 30 GLN H H 30 8.210 8.571 -0.361 1
1 286 . 9 1 1 A 30 30 GLN HA H 30 3.863 4.200 -0.337 1
1 293 . 9 1 1 A 30 30 GLN C C 30 174.111 175.531 -1.420 1
1 294 . 9 1 1 A 30 30 GLN CA C 30 56.868 57.234 -0.366 1
1 295 . 9 1 1 A 30 30 GLN CB C 30 27.841 29.793 -1.952 1
1 297 . 9 1 1 A 30 30 GLN N N 30 121.138 124.030 -2.892 1
1 299 . 9 1 1 A 31 31 TYR H H 31 7.532 7.483 0.049 1
1 300 . 9 1 1 A 31 31 TYR HA H 31 4.700 5.150 -0.450 1
1 307 . 9 1 1 A 31 31 TYR C C 31 174.485 175.009 -0.524 1
1 308 . 9 1 1 A 31 31 TYR CA C 31 56.954 56.859 0.095 1
1 309 . 9 1 1 A 31 31 TYR CB C 31 41.374 40.597 0.777 1
1 314 . 9 1 1 A 31 31 TYR N N 31 114.987 117.148 -2.161 1
1 315 . 9 1 1 A 32 32 LEU H H 32 8.382 8.931 -0.549 1
1 316 . 9 1 1 A 32 32 LEU HA H 32 4.486 4.958 -0.472 1
1 326 . 9 1 1 A 32 32 LEU C C 32 176.526 176.680 -0.154 1
1 327 . 9 1 1 A 32 32 LEU CA C 32 53.216 53.262 -0.046 1
1 328 . 9 1 1 A 32 32 LEU CB C 32 44.134 44.351 -0.217 1
1 332 . 9 1 1 A 32 32 LEU N N 32 123.429 124.297 -0.868 1
1 333 . 9 1 1 A 33 33 ALA H H 33 8.805 8.790 0.015 1
1 334 . 9 1 1 A 33 33 ALA HA H 33 4.469 4.493 -0.024 1
1 338 . 9 1 1 A 33 33 ALA C C 33 178.230 177.574 0.656 1
1 339 . 9 1 1 A 33 33 ALA CA C 33 51.183 51.907 -0.724 1
1 340 . 9 1 1 A 33 33 ALA CB C 33 19.852 20.173 -0.321 1
1 341 . 9 1 1 A 33 33 ALA N N 33 126.131 125.288 0.843 1
1 342 . 9 1 1 A 34 34 LEU H H 34 8.898 8.669 0.229 1
1 343 . 9 1 1 A 34 34 LEU HA H 34 4.088 4.052 0.036 1
1 353 . 9 1 1 A 34 34 LEU C C 34 178.245 175.477 2.768 1
1 354 . 9 1 1 A 34 34 LEU CA C 34 60.712 59.656 1.056 1
1 355 . 9 1 1 A 34 34 LEU CB C 34 39.135 40.780 -1.645 1
1 359 . 9 1 1 A 34 34 LEU N N 34 122.061 121.093 0.968 1
1 360 . 9 1 1 A 35 35 PRO HA H 35 4.378 4.377 0.001 1
1 367 . 9 1 1 A 35 35 PRO C C 35 179.888 178.775 1.113 1
1 368 . 9 1 1 A 35 35 PRO CA C 35 65.894 65.184 0.710 1
1 369 . 9 1 1 A 35 35 PRO CB C 35 30.618 31.321 -0.703 1
1 372 . 9 1 1 A 36 36 GLU H H 36 6.984 8.437 -1.453 1
1 373 . 9 1 1 A 36 36 GLU HA H 36 4.192 4.058 0.134 1
1 378 . 9 1 1 A 36 36 GLU C C 36 179.230 179.167 0.063 1
1 379 . 9 1 1 A 36 36 GLU CA C 36 58.631 59.761 -1.130 1
1 380 . 9 1 1 A 36 36 GLU CB C 36 30.290 29.289 1.001 1
1 382 . 9 1 1 A 36 36 GLU N N 36 116.910 117.953 -1.043 1
1 383 . 9 1 1 A 37 37 ARG H H 37 8.489 8.393 0.096 1
1 384 . 9 1 1 A 37 37 ARG HA H 37 3.741 3.872 -0.131 1
1 391 . 9 1 1 A 37 37 ARG C C 37 177.835 178.132 -0.297 1
1 392 . 9 1 1 A 37 37 ARG CA C 37 60.076 59.035 1.041 1
1 393 . 9 1 1 A 37 37 ARG CB C 37 30.775 30.020 0.755 1
1 396 . 9 1 1 A 37 37 ARG N N 37 121.545 120.783 0.762 1
1 397 . 9 1 1 A 38 38 ALA H H 38 8.308 7.786 0.522 1
1 398 . 9 1 1 A 38 38 ALA HA H 38 3.941 4.036 -0.095 1
1 402 . 9 1 1 A 38 38 ALA C C 38 180.311 180.194 0.117 1
1 403 . 9 1 1 A 38 38 ALA CA C 38 55.446 55.329 0.117 1
1 404 . 9 1 1 A 38 38 ALA CB C 38 18.082 18.302 -0.220 1
1 405 . 9 1 1 A 38 38 ALA N N 38 120.571 121.424 -0.853 1
1 406 . 9 1 1 A 39 39 GLU H H 39 7.819 7.734 0.085 1
1 407 . 9 1 1 A 39 39 GLU HA H 39 4.125 3.948 0.177 1
1 412 . 9 1 1 A 39 39 GLU C C 39 178.851 179.164 -0.313 1
1 413 . 9 1 1 A 39 39 GLU CA C 39 59.257 59.386 -0.129 1
1 414 . 9 1 1 A 39 39 GLU CB C 39 29.806 29.396 0.410 1
1 416 . 9 1 1 A 39 39 GLU N N 39 119.614 118.383 1.231 1
1 417 . 9 1 1 A 40 40 LEU H H 40 8.251 7.510 0.741 1
1 418 . 9 1 1 A 40 40 LEU HA H 40 4.149 3.969 0.180 1
1 428 . 9 1 1 A 40 40 LEU C C 40 178.939 178.804 0.135 1
1 429 . 9 1 1 A 40 40 LEU CA C 40 57.625 57.833 -0.208 1
1 430 . 9 1 1 A 40 40 LEU CB C 40 42.239 41.699 0.540 1
1 434 . 9 1 1 A 40 40 LEU N N 40 121.912 120.155 1.757 1
1 435 . 9 1 1 A 41 41 ALA H H 41 8.449 7.895 0.554 1
1 436 . 9 1 1 A 41 41 ALA HA H 41 3.629 4.190 -0.561 1
1 440 . 9 1 1 A 41 41 ALA C C 41 179.199 178.301 0.898 1
1 441 . 9 1 1 A 41 41 ALA CA C 41 56.202 53.771 2.431 1
1 442 . 9 1 1 A 41 41 ALA CB C 41 17.819 18.286 -0.467 1
1 443 . 9 1 1 A 41 41 ALA N N 41 120.020 121.409 -1.389 1
1 444 . 9 1 1 A 42 42 ALA H H 42 7.800 7.924 -0.124 1
1 445 . 9 1 1 A 42 42 ALA HA H 42 4.240 4.324 -0.084 1
1 449 . 9 1 1 A 42 42 ALA C C 42 181.146 179.060 2.086 1
1 450 . 9 1 1 A 42 42 ALA CA C 42 54.991 53.148 1.843 1
1 451 . 9 1 1 A 42 42 ALA CB C 42 17.983 19.363 -1.380 1
1 452 . 9 1 1 A 42 42 ALA N N 42 118.414 120.032 -1.618 1
1 453 . 9 1 1 A 43 43 SER H H 43 8.172 8.129 0.043 1
1 454 . 9 1 1 A 43 43 SER HA H 43 4.314 4.455 -0.141 1
1 457 . 9 1 1 A 43 43 SER C C 43 175.817 176.756 -0.939 1
1 458 . 9 1 1 A 43 43 SER CA C 43 61.138 61.238 -0.100 1
1 459 . 9 1 1 A 43 43 SER CB C 43 63.341 63.286 0.055 1
1 460 . 9 1 1 A 43 43 SER N N 43 113.508 113.505 0.003 1
1 461 . 9 1 1 A 44 44 LEU H H 44 7.701 7.827 -0.126 1
1 462 . 9 1 1 A 44 44 LEU HA H 44 4.662 4.163 0.499 1
1 472 . 9 1 1 A 44 44 LEU C C 44 177.588 177.060 0.528 1
1 473 . 9 1 1 A 44 44 LEU CA C 44 54.556 55.452 -0.896 1
1 474 . 9 1 1 A 44 44 LEU CB C 44 44.134 42.358 1.776 1
1 478 . 9 1 1 A 44 44 LEU N N 44 117.384 118.970 -1.586 1
1 479 . 9 1 1 A 45 45 GLY H H 45 7.971 8.066 -0.095 1
1 480 . 9 1 1 A 45 45 GLY HA2 H 45 4.130 3.955 0.175 1
1 481 . 9 1 1 A 45 45 GLY HA3 H 45 3.991 3.985 0.006 1
1 482 . 9 1 1 A 45 45 GLY C C 45 174.538 174.329 0.209 1
1 483 . 9 1 1 A 45 45 GLY CA C 45 46.623 45.901 0.722 1
1 484 . 9 1 1 A 45 45 GLY N N 45 110.156 106.873 3.283 1
1 485 . 9 1 1 A 46 46 LEU H H 46 8.012 7.906 0.106 1
1 486 . 9 1 1 A 46 46 LEU HA H 46 4.914 4.821 0.093 1
1 496 . 9 1 1 A 46 46 LEU C C 46 176.613 175.373 1.240 1
1 497 . 9 1 1 A 46 46 LEU CA C 46 52.652 53.362 -0.710 1
1 498 . 9 1 1 A 46 46 LEU CB C 46 46.882 43.234 3.648 1
1 502 . 9 1 1 A 46 46 LEU N N 46 119.755 121.169 -1.414 1
1 503 . 9 1 1 A 47 47 THR H H 47 8.846 8.389 0.457 1
1 504 . 9 1 1 A 47 47 THR HA H 47 4.681 4.809 -0.128 1
1 509 . 9 1 1 A 47 47 THR C C 47 176.869 175.478 1.391 1
1 510 . 9 1 1 A 47 47 THR CA C 47 60.326 59.532 0.794 1
1 511 . 9 1 1 A 47 47 THR CB C 47 70.720 70.928 -0.208 1
1 513 . 9 1 1 A 47 47 THR N N 47 109.908 113.905 -3.997 1
1 514 . 9 1 1 A 48 48 GLN H H 48 9.324 9.064 0.260 1
1 515 . 9 1 1 A 48 48 GLN HA H 48 3.708 3.985 -0.277 1
1 522 . 9 1 1 A 48 48 GLN C C 48 178.548 177.980 0.568 1
1 523 . 9 1 1 A 48 48 GLN CA C 48 60.839 59.170 1.669 1
1 524 . 9 1 1 A 48 48 GLN CB C 48 27.998 28.155 -0.157 1
1 526 . 9 1 1 A 48 48 GLN N N 48 120.589 127.098 -6.509 1
1 528 . 9 1 1 A 49 49 THR H H 49 8.172 7.396 0.776 1
1 529 . 9 1 1 A 49 49 THR HA H 49 3.908 4.214 -0.306 1
1 534 . 9 1 1 A 49 49 THR CA C 49 66.920 65.864 1.056 1
1 535 . 9 1 1 A 49 49 THR CB C 49 68.671 68.684 -0.013 1
1 537 . 9 1 1 A 49 49 THR N N 49 115.925 117.097 -1.172 1
1 538 . 9 1 1 A 50 50 GLN H H 50 8.005 8.224 -0.219 1
1 539 . 9 1 1 A 50 50 GLN HA H 50 4.049 4.396 -0.347 1
1 546 . 9 1 1 A 50 50 GLN C C 50 180.191 178.282 1.909 1
1 547 . 9 1 1 A 50 50 GLN CA C 50 59.633 58.113 1.520 1
1 548 . 9 1 1 A 50 50 GLN CB C 50 28.965 29.625 -0.660 1
1 550 . 9 1 1 A 50 50 GLN N N 50 120.680 120.331 0.349 1
1 552 . 9 1 1 A 51 51 VAL H H 51 7.759 8.057 -0.298 1
1 553 . 9 1 1 A 51 51 VAL HA H 51 3.754 3.784 -0.030 1
1 561 . 9 1 1 A 51 51 VAL C C 51 176.534 178.474 -1.940 1
1 562 . 9 1 1 A 51 51 VAL CA C 51 67.618 66.732 0.886 1
1 563 . 9 1 1 A 51 51 VAL CB C 51 32.052 31.494 0.558 1
1 566 . 9 1 1 A 51 51 VAL N N 51 119.814 120.562 -0.748 1
1 567 . 9 1 1 A 52 52 LYS H H 52 8.504 7.648 0.856 1
1 568 . 9 1 1 A 52 52 LYS HA H 52 4.301 4.141 0.160 1
1 577 . 9 1 1 A 52 52 LYS C C 52 179.918 179.574 0.344 1
1 578 . 9 1 1 A 52 52 LYS CA C 52 60.046 59.580 0.466 1
1 579 . 9 1 1 A 52 52 LYS CB C 52 33.392 32.450 0.942 1
1 583 . 9 1 1 A 52 52 LYS N N 52 121.422 119.540 1.882 1
1 584 . 9 1 1 A 53 53 ILE H H 53 8.775 8.169 0.606 1
1 585 . 9 1 1 A 53 53 ILE HA H 53 3.866 3.803 0.063 1
1 595 . 9 1 1 A 53 53 ILE C C 53 177.447 178.461 -1.014 1
1 596 . 9 1 1 A 53 53 ILE CA C 53 64.285 64.690 -0.405 1
1 597 . 9 1 1 A 53 53 ILE CB C 53 38.066 37.238 0.828 1
1 601 . 9 1 1 A 53 53 ILE N N 53 119.411 120.200 -0.789 1
1 602 . 9 1 1 A 54 54 TRP H H 54 8.052 7.936 0.116 1
1 603 . 9 1 1 A 54 54 TRP HA H 54 4.005 4.192 -0.187 1
1 612 . 9 1 1 A 54 54 TRP C C 54 179.712 178.175 1.537 1
1 613 . 9 1 1 A 54 54 TRP CA C 54 63.406 61.480 1.926 1
1 614 . 9 1 1 A 54 54 TRP CB C 54 28.935 29.508 -0.573 1
1 620 . 9 1 1 A 54 54 TRP N N 54 122.233 123.080 -0.847 1
1 622 . 9 1 1 A 55 55 PHE H H 55 8.720 8.338 0.382 1
1 623 . 9 1 1 A 55 55 PHE HA H 55 3.786 4.265 -0.479 1
1 631 . 9 1 1 A 55 55 PHE C C 55 177.753 178.336 -0.583 1
1 632 . 9 1 1 A 55 55 PHE CA C 55 63.194 62.496 0.698 1
1 633 . 9 1 1 A 55 55 PHE CB C 55 39.739 39.050 0.689 1
1 639 . 9 1 1 A 55 55 PHE N N 55 118.671 118.065 0.606 1
1 640 . 9 1 1 A 56 56 GLN H H 56 8.294 8.649 -0.355 1
1 641 . 9 1 1 A 56 56 GLN HA H 56 3.952 3.968 -0.016 1
1 648 . 9 1 1 A 56 56 GLN C C 56 179.029 177.931 1.098 1
1 649 . 9 1 1 A 56 56 GLN CA C 56 59.414 58.660 0.754 1
1 650 . 9 1 1 A 56 56 GLN CB C 56 28.724 28.773 -0.049 1
1 652 . 9 1 1 A 56 56 GLN N N 56 118.357 120.027 -1.670 1
1 654 . 9 1 1 A 57 57 ASN H H 57 8.580 8.294 0.286 1
1 655 . 9 1 1 A 57 57 ASN HA H 57 4.315 4.323 -0.008 1
1 660 . 9 1 1 A 57 57 ASN C C 57 177.717 178.114 -0.397 1
1 661 . 9 1 1 A 57 57 ASN CA C 57 55.541 55.900 -0.359 1
1 662 . 9 1 1 A 57 57 ASN CB C 57 37.796 38.006 -0.210 1
1 663 . 9 1 1 A 57 57 ASN N N 57 118.858 117.096 1.762 1
1 665 . 9 1 1 A 58 58 LYS H H 58 7.761 7.371 0.390 1
1 666 . 9 1 1 A 58 58 LYS HA H 58 3.416 3.689 -0.273 1
1 675 . 9 1 1 A 58 58 LYS C C 58 178.937 179.699 -0.762 1
1 676 . 9 1 1 A 58 58 LYS CA C 58 57.292 59.211 -1.919 1
1 677 . 9 1 1 A 58 58 LYS CB C 58 30.746 31.353 -0.607 1
1 681 . 9 1 1 A 58 58 LYS N N 58 122.418 120.314 2.104 1
1 682 . 9 1 1 A 59 59 ARG H H 59 7.965 8.316 -0.351 1
1 683 . 9 1 1 A 59 59 ARG HA H 59 4.078 4.179 -0.101 1
1 690 . 9 1 1 A 59 59 ARG C C 59 178.804 178.833 -0.029 1
1 691 . 9 1 1 A 59 59 ARG CA C 59 60.056 59.710 0.346 1
1 692 . 9 1 1 A 59 59 ARG CB C 59 31.573 30.244 1.329 1
1 695 . 9 1 1 A 59 59 ARG N N 59 116.992 119.938 -2.946 1
1 696 . 9 1 1 A 60 60 SER H H 60 7.733 7.822 -0.089 1
1 697 . 9 1 1 A 60 60 SER HA H 60 4.308 4.289 0.019 1
1 700 . 9 1 1 A 60 60 SER C C 60 175.262 175.514 -0.252 1
1 701 . 9 1 1 A 60 60 SER CA C 60 60.550 60.411 0.139 1
1 702 . 9 1 1 A 60 60 SER CB C 60 63.304 62.672 0.632 1
1 703 . 9 1 1 A 60 60 SER N N 60 113.717 115.096 -1.379 1
1 704 . 9 1 1 A 61 61 LYS H H 61 7.622 7.802 -0.180 1
1 705 . 9 1 1 A 61 61 LYS HA H 61 4.218 4.395 -0.177 1
1 714 . 9 1 1 A 61 61 LYS C C 61 177.402 175.661 1.741 1
1 715 . 9 1 1 A 61 61 LYS CA C 61 56.989 55.662 1.327 1
1 716 . 9 1 1 A 61 61 LYS CB C 61 32.486 32.811 -0.325 1
1 720 . 9 1 1 A 61 61 LYS N N 61 121.107 119.759 1.348 1
1 721 . 9 1 1 A 62 62 ILE H H 62 7.632 7.088 0.544 1
1 722 . 9 1 1 A 62 62 ILE HA H 62 4.074 4.552 -0.478 1
1 732 . 9 1 1 A 62 62 ILE C C 62 176.614 176.088 0.526 1
1 733 . 9 1 1 A 62 62 ILE CA C 62 61.960 59.731 2.229 1
1 734 . 9 1 1 A 62 62 ILE CB C 62 38.231 40.675 -2.444 1
1 738 . 9 1 1 A 62 62 ILE N N 62 119.268 120.481 -1.213 1
1 739 . 9 1 1 A 63 63 LYS H H 63 8.100 8.488 -0.388 1
1 740 . 9 1 1 A 63 63 LYS HA H 63 4.304 4.421 -0.117 1
1 747 . 9 1 1 A 63 63 LYS C C 63 176.623 175.260 1.363 1
1 748 . 9 1 1 A 63 63 LYS CA C 63 56.672 56.162 0.510 1
1 749 . 9 1 1 A 63 63 LYS CB C 63 32.898 30.827 2.071 1
1 753 . 9 1 1 A 63 63 LYS N N 63 124.673 123.533 1.140 1
1 754 . 9 1 1 A 64 64 LYS H H 64 8.272 7.832 0.440 1
1 755 . 9 1 1 A 64 64 LYS C C 64 176.619 175.950 0.669 1
1 756 . 9 1 1 A 64 64 LYS CA C 64 56.531 54.721 1.810 1
1 757 . 9 1 1 A 64 64 LYS CB C 64 33.017 35.605 -2.588 1
1 758 . 9 1 1 A 64 64 LYS N N 64 122.722 122.446 0.276 1
1 759 . 9 1 1 A 65 65 SER HA H 65 4.533 4.544 -0.011 1
1 762 . 9 1 1 A 65 65 SER C C 65 174.501 174.405 0.096 1
1 763 . 9 1 1 A 65 65 SER CA C 65 58.364 58.928 -0.564 1
1 764 . 9 1 1 A 65 65 SER CB C 65 64.210 63.279 0.931 1
1 765 . 9 1 1 A 66 66 GLY H H 66 8.264 8.269 -0.005 1
1 766 . 9 1 1 A 66 66 GLY C C 66 171.884 171.241 0.643 1
1 767 . 9 1 1 A 66 66 GLY CA C 66 44.719 45.363 -0.644 1
1 768 . 9 1 1 A 66 66 GLY N N 66 110.727 108.859 1.868 1
1 772 . 9 1 1 A 67 67 PRO CA C 67 63.385 62.745 0.640 1
1 773 . 9 1 1 A 67 67 PRO CB C 67 32.419 31.926 0.493 1
1 1 . 10 1 1 A 8 8 ARG HA H 8 4.360 4.005 0.355 1
1 8 . 10 1 1 A 8 8 ARG C C 8 176.260 175.141 1.119 1
1 9 . 10 1 1 A 8 8 ARG CA C 8 55.966 57.031 -1.065 1
1 10 . 10 1 1 A 8 8 ARG CB C 8 30.838 28.968 1.870 1
1 13 . 10 1 1 A 9 9 LYS H H 9 8.400 7.738 0.662 1
1 14 . 10 1 1 A 9 9 LYS C C 9 174.555 174.649 -0.094 1
1 15 . 10 1 1 A 9 9 LYS CA C 9 54.274 53.576 0.698 1
1 16 . 10 1 1 A 9 9 LYS CB C 9 32.440 34.034 -1.594 1
1 17 . 10 1 1 A 9 9 LYS N N 9 124.470 114.439 10.031 1
1 18 . 10 1 1 A 10 10 PRO HA H 10 4.441 4.475 -0.034 1
1 25 . 10 1 1 A 10 10 PRO C C 10 176.789 176.666 0.123 1
1 26 . 10 1 1 A 10 10 PRO CA C 10 63.088 62.508 0.580 1
1 27 . 10 1 1 A 10 10 PRO CB C 10 32.156 32.289 -0.133 1
1 30 . 10 1 1 A 11 11 ARG H H 11 8.471 8.345 0.126 1
1 31 . 10 1 1 A 11 11 ARG HA H 11 4.370 4.248 0.122 1
1 36 . 10 1 1 A 11 11 ARG C C 11 176.400 176.857 -0.457 1
1 37 . 10 1 1 A 11 11 ARG CA C 11 56.439 56.846 -0.407 1
1 38 . 10 1 1 A 11 11 ARG CB C 11 30.710 30.294 0.416 1
1 40 . 10 1 1 A 11 11 ARG N N 11 121.881 123.038 -1.157 1
1 41 . 10 1 1 A 12 12 THR HA H 12 4.270 4.245 0.025 1
1 46 . 10 1 1 A 12 12 THR C C 12 173.737 176.251 -2.514 1
1 47 . 10 1 1 A 12 12 THR CA C 12 62.101 63.889 -1.788 1
1 48 . 10 1 1 A 12 12 THR CB C 12 69.896 69.867 0.029 1
1 50 . 10 1 1 A 13 13 ILE H H 13 8.215 8.685 -0.470 1
1 51 . 10 1 1 A 13 13 ILE HA H 13 4.063 3.853 0.210 1
1 61 . 10 1 1 A 13 13 ILE C C 13 175.361 175.783 -0.422 1
1 62 . 10 1 1 A 13 13 ILE CA C 13 61.109 63.693 -2.584 1
1 63 . 10 1 1 A 13 13 ILE CB C 13 38.748 38.206 0.542 1
1 67 . 10 1 1 A 13 13 ILE N N 13 124.648 123.748 0.900 1
1 68 . 10 1 1 A 14 14 TYR H H 14 7.928 7.802 0.126 1
1 69 . 10 1 1 A 14 14 TYR HA H 14 4.923 5.253 -0.330 1
1 76 . 10 1 1 A 14 14 TYR C C 14 176.009 175.086 0.923 1
1 77 . 10 1 1 A 14 14 TYR CA C 14 56.425 56.849 -0.424 1
1 78 . 10 1 1 A 14 14 TYR CB C 14 39.984 42.577 -2.593 1
1 83 . 10 1 1 A 14 14 TYR N N 14 122.287 120.079 2.208 1
1 84 . 10 1 1 A 15 15 SER H H 15 9.368 8.105 1.263 1
1 85 . 10 1 1 A 15 15 SER HA H 15 4.639 4.606 0.033 1
1 88 . 10 1 1 A 15 15 SER C C 15 175.065 175.610 -0.545 1
1 89 . 10 1 1 A 15 15 SER CA C 15 56.918 58.609 -1.691 1
1 90 . 10 1 1 A 15 15 SER CB C 15 65.646 63.781 1.865 1
1 91 . 10 1 1 A 15 15 SER N N 15 119.482 118.580 0.902 1
1 92 . 10 1 1 A 16 16 SER HA H 16 4.181 4.085 0.096 1
1 95 . 10 1 1 A 16 16 SER CA C 16 62.192 61.841 0.351 1
1 96 . 10 1 1 A 16 16 SER CB C 16 62.188 62.377 -0.189 1
1 97 . 10 1 1 A 17 17 PHE H H 17 7.815 8.074 -0.259 1
1 98 . 10 1 1 A 17 17 PHE HA H 17 4.313 4.135 0.178 1
1 106 . 10 1 1 A 17 17 PHE C C 17 177.979 177.761 0.218 1
1 107 . 10 1 1 A 17 17 PHE CA C 17 60.981 61.120 -0.139 1
1 108 . 10 1 1 A 17 17 PHE CB C 17 39.519 39.119 0.400 1
1 114 . 10 1 1 A 17 17 PHE N N 17 119.320 124.159 -4.839 1
1 115 . 10 1 1 A 18 18 GLN H H 18 7.816 8.385 -0.569 1
1 116 . 10 1 1 A 18 18 GLN HA H 18 3.720 3.913 -0.193 1
1 123 . 10 1 1 A 18 18 GLN C C 18 177.456 178.700 -1.244 1
1 124 . 10 1 1 A 18 18 GLN CA C 18 58.902 58.751 0.151 1
1 125 . 10 1 1 A 18 18 GLN CB C 18 28.118 28.320 -0.202 1
1 127 . 10 1 1 A 18 18 GLN N N 18 119.339 118.579 0.760 1
1 129 . 10 1 1 A 19 19 LEU H H 19 8.583 8.258 0.325 1
1 130 . 10 1 1 A 19 19 LEU HA H 19 3.570 3.735 -0.165 1
1 140 . 10 1 1 A 19 19 LEU C C 19 178.761 178.519 0.242 1
1 141 . 10 1 1 A 19 19 LEU CA C 19 57.837 57.772 0.065 1
1 142 . 10 1 1 A 19 19 LEU CB C 19 41.883 42.002 -0.119 1
1 146 . 10 1 1 A 19 19 LEU N N 19 117.368 120.739 -3.371 1
1 147 . 10 1 1 A 20 20 ALA H H 20 7.918 8.506 -0.588 1
1 148 . 10 1 1 A 20 20 ALA HA H 20 4.019 3.935 0.084 1
1 152 . 10 1 1 A 20 20 ALA C C 20 180.256 179.486 0.770 1
1 153 . 10 1 1 A 20 20 ALA CA C 20 54.944 55.407 -0.463 1
1 154 . 10 1 1 A 20 20 ALA CB C 20 17.731 18.606 -0.875 1
1 155 . 10 1 1 A 20 20 ALA N N 20 120.010 120.669 -0.659 1
1 156 . 10 1 1 A 21 21 ALA H H 21 7.313 7.059 0.254 1
1 157 . 10 1 1 A 21 21 ALA HA H 21 3.945 4.077 -0.132 1
1 161 . 10 1 1 A 21 21 ALA C C 21 181.088 179.466 1.622 1
1 162 . 10 1 1 A 21 21 ALA CA C 21 54.749 54.531 0.218 1
1 163 . 10 1 1 A 21 21 ALA CB C 21 19.723 18.718 1.005 1
1 164 . 10 1 1 A 21 21 ALA N N 21 120.493 120.103 0.390 1
1 165 . 10 1 1 A 22 22 LEU H H 22 8.049 7.778 0.271 1
1 166 . 10 1 1 A 22 22 LEU HA H 22 3.507 3.696 -0.189 1
1 176 . 10 1 1 A 22 22 LEU C C 22 177.768 178.713 -0.945 1
1 177 . 10 1 1 A 22 22 LEU CA C 22 58.418 57.873 0.545 1
1 178 . 10 1 1 A 22 22 LEU CB C 22 38.280 40.992 -2.712 1
1 182 . 10 1 1 A 22 22 LEU N N 22 121.618 118.921 2.697 1
1 183 . 10 1 1 A 23 23 GLN H H 23 8.047 8.284 -0.237 1
1 184 . 10 1 1 A 23 23 GLN HA H 23 4.042 4.120 -0.078 1
1 191 . 10 1 1 A 23 23 GLN C C 23 178.945 178.681 0.264 1
1 192 . 10 1 1 A 23 23 GLN CA C 23 59.172 59.326 -0.154 1
1 193 . 10 1 1 A 23 23 GLN CB C 23 28.225 28.409 -0.184 1
1 195 . 10 1 1 A 23 23 GLN N N 23 117.012 116.925 0.087 1
1 197 . 10 1 1 A 24 24 ARG H H 24 7.956 7.882 0.074 1
1 198 . 10 1 1 A 24 24 ARG HA H 24 4.098 4.128 -0.030 1
1 205 . 10 1 1 A 24 24 ARG C C 24 179.440 178.453 0.987 1
1 206 . 10 1 1 A 24 24 ARG CA C 24 59.443 58.548 0.895 1
1 207 . 10 1 1 A 24 24 ARG CB C 24 30.290 30.042 0.248 1
1 210 . 10 1 1 A 24 24 ARG N N 24 118.511 118.767 -0.256 1
1 211 . 10 1 1 A 25 25 ARG H H 25 7.768 7.964 -0.196 1
1 212 . 10 1 1 A 25 25 ARG HA H 25 4.380 4.154 0.226 1
1 219 . 10 1 1 A 25 25 ARG C C 25 177.933 178.658 -0.725 1
1 220 . 10 1 1 A 25 25 ARG CA C 25 56.993 58.506 -1.513 1
1 221 . 10 1 1 A 25 25 ARG CB C 25 28.118 30.061 -1.943 1
1 224 . 10 1 1 A 25 25 ARG N N 25 119.018 120.311 -1.293 1
1 225 . 10 1 1 A 26 26 PHE H H 26 8.739 8.464 0.275 1
1 226 . 10 1 1 A 26 26 PHE HA H 26 4.680 4.308 0.372 1
1 234 . 10 1 1 A 26 26 PHE C C 26 175.842 177.306 -1.464 1
1 235 . 10 1 1 A 26 26 PHE CA C 26 60.339 61.988 -1.649 1
1 236 . 10 1 1 A 26 26 PHE CB C 26 39.477 39.444 0.033 1
1 242 . 10 1 1 A 26 26 PHE N N 26 121.838 120.559 1.279 1
1 243 . 10 1 1 A 27 27 GLN H H 27 7.712 7.900 -0.188 1
1 244 . 10 1 1 A 27 27 GLN HA H 27 3.979 3.917 0.062 1
1 251 . 10 1 1 A 27 27 GLN C C 27 177.336 177.850 -0.514 1
1 252 . 10 1 1 A 27 27 GLN CA C 27 57.877 58.322 -0.445 1
1 253 . 10 1 1 A 27 27 GLN CB C 27 28.809 28.621 0.188 1
1 255 . 10 1 1 A 27 27 GLN N N 27 113.533 117.514 -3.981 1
1 257 . 10 1 1 A 28 28 LYS H H 28 7.469 7.733 -0.264 1
1 258 . 10 1 1 A 28 28 LYS HA H 28 4.316 4.060 0.256 1
1 267 . 10 1 1 A 28 28 LYS C C 28 177.011 176.065 0.946 1
1 268 . 10 1 1 A 28 28 LYS CA C 28 57.805 58.867 -1.062 1
1 269 . 10 1 1 A 28 28 LYS CB C 28 33.639 32.535 1.104 1
1 273 . 10 1 1 A 28 28 LYS N N 28 117.851 119.524 -1.673 1
1 274 . 10 1 1 A 29 29 THR H H 29 8.373 7.444 0.929 1
1 275 . 10 1 1 A 29 29 THR HA H 29 4.457 4.507 -0.050 1
1 280 . 10 1 1 A 29 29 THR C C 29 171.650 173.757 -2.107 1
1 281 . 10 1 1 A 29 29 THR CA C 29 59.598 60.385 -0.787 1
1 282 . 10 1 1 A 29 29 THR CB C 29 70.546 70.699 -0.153 1
1 284 . 10 1 1 A 29 29 THR N N 29 113.944 111.647 2.297 1
1 285 . 10 1 1 A 30 30 GLN H H 30 8.210 8.406 -0.196 1
1 286 . 10 1 1 A 30 30 GLN HA H 30 3.863 3.935 -0.072 1
1 293 . 10 1 1 A 30 30 GLN C C 30 174.111 175.536 -1.425 1
1 294 . 10 1 1 A 30 30 GLN CA C 30 56.868 57.804 -0.936 1
1 295 . 10 1 1 A 30 30 GLN CB C 30 27.841 29.272 -1.431 1
1 297 . 10 1 1 A 30 30 GLN N N 30 121.138 124.543 -3.405 1
1 299 . 10 1 1 A 31 31 TYR H H 31 7.532 7.388 0.144 1
1 300 . 10 1 1 A 31 31 TYR HA H 31 4.700 5.335 -0.635 1
1 307 . 10 1 1 A 31 31 TYR C C 31 174.485 174.526 -0.041 1
1 308 . 10 1 1 A 31 31 TYR CA C 31 56.954 56.690 0.264 1
1 309 . 10 1 1 A 31 31 TYR CB C 31 41.374 41.726 -0.352 1
1 314 . 10 1 1 A 31 31 TYR N N 31 114.987 116.233 -1.246 1
1 315 . 10 1 1 A 32 32 LEU H H 32 8.382 8.945 -0.563 1
1 316 . 10 1 1 A 32 32 LEU HA H 32 4.486 4.899 -0.413 1
1 326 . 10 1 1 A 32 32 LEU C C 32 176.526 176.860 -0.334 1
1 327 . 10 1 1 A 32 32 LEU CA C 32 53.216 53.561 -0.345 1
1 328 . 10 1 1 A 32 32 LEU CB C 32 44.134 43.833 0.301 1
1 332 . 10 1 1 A 32 32 LEU N N 32 123.429 124.688 -1.259 1
1 333 . 10 1 1 A 33 33 ALA H H 33 8.805 8.723 0.082 1
1 334 . 10 1 1 A 33 33 ALA HA H 33 4.469 4.432 0.037 1
1 338 . 10 1 1 A 33 33 ALA C C 33 178.230 177.681 0.549 1
1 339 . 10 1 1 A 33 33 ALA CA C 33 51.183 52.041 -0.858 1
1 340 . 10 1 1 A 33 33 ALA CB C 33 19.852 19.988 -0.136 1
1 341 . 10 1 1 A 33 33 ALA N N 33 126.131 125.235 0.896 1
1 342 . 10 1 1 A 34 34 LEU H H 34 8.898 8.751 0.147 1
1 343 . 10 1 1 A 34 34 LEU HA H 34 4.088 4.070 0.018 1
1 353 . 10 1 1 A 34 34 LEU C C 34 178.245 175.511 2.734 1
1 354 . 10 1 1 A 34 34 LEU CA C 34 60.712 59.511 1.201 1
1 355 . 10 1 1 A 34 34 LEU CB C 34 39.135 40.666 -1.531 1
1 359 . 10 1 1 A 34 34 LEU N N 34 122.061 120.557 1.504 1
1 360 . 10 1 1 A 35 35 PRO HA H 35 4.378 4.399 -0.021 1
1 367 . 10 1 1 A 35 35 PRO C C 35 179.888 178.373 1.515 1
1 368 . 10 1 1 A 35 35 PRO CA C 35 65.894 64.982 0.912 1
1 369 . 10 1 1 A 35 35 PRO CB C 35 30.618 31.306 -0.688 1
1 372 . 10 1 1 A 36 36 GLU H H 36 6.984 8.541 -1.557 1
1 373 . 10 1 1 A 36 36 GLU HA H 36 4.192 4.093 0.099 1
1 378 . 10 1 1 A 36 36 GLU C C 36 179.230 179.346 -0.116 1
1 379 . 10 1 1 A 36 36 GLU CA C 36 58.631 59.578 -0.947 1
1 380 . 10 1 1 A 36 36 GLU CB C 36 30.290 29.738 0.552 1
1 382 . 10 1 1 A 36 36 GLU N N 36 116.910 117.589 -0.679 1
1 383 . 10 1 1 A 37 37 ARG H H 37 8.489 8.211 0.278 1
1 384 . 10 1 1 A 37 37 ARG HA H 37 3.741 3.935 -0.194 1
1 391 . 10 1 1 A 37 37 ARG C C 37 177.835 178.482 -0.647 1
1 392 . 10 1 1 A 37 37 ARG CA C 37 60.076 58.709 1.367 1
1 393 . 10 1 1 A 37 37 ARG CB C 37 30.775 29.598 1.177 1
1 396 . 10 1 1 A 37 37 ARG N N 37 121.545 120.590 0.955 1
1 397 . 10 1 1 A 38 38 ALA H H 38 8.308 7.830 0.478 1
1 398 . 10 1 1 A 38 38 ALA HA H 38 3.941 4.049 -0.108 1
1 402 . 10 1 1 A 38 38 ALA C C 38 180.311 179.621 0.690 1
1 403 . 10 1 1 A 38 38 ALA CA C 38 55.446 54.792 0.654 1
1 404 . 10 1 1 A 38 38 ALA CB C 38 18.082 18.304 -0.222 1
1 405 . 10 1 1 A 38 38 ALA N N 38 120.571 121.000 -0.429 1
1 406 . 10 1 1 A 39 39 GLU H H 39 7.819 8.088 -0.269 1
1 407 . 10 1 1 A 39 39 GLU HA H 39 4.125 4.085 0.040 1
1 412 . 10 1 1 A 39 39 GLU C C 39 178.851 179.195 -0.344 1
1 413 . 10 1 1 A 39 39 GLU CA C 39 59.257 59.284 -0.027 1
1 414 . 10 1 1 A 39 39 GLU CB C 39 29.806 29.376 0.430 1
1 416 . 10 1 1 A 39 39 GLU N N 39 119.614 118.797 0.817 1
1 417 . 10 1 1 A 40 40 LEU H H 40 8.251 8.357 -0.106 1
1 418 . 10 1 1 A 40 40 LEU HA H 40 4.149 4.089 0.060 1
1 428 . 10 1 1 A 40 40 LEU C C 40 178.939 179.199 -0.260 1
1 429 . 10 1 1 A 40 40 LEU CA C 40 57.625 57.688 -0.063 1
1 430 . 10 1 1 A 40 40 LEU CB C 40 42.239 40.749 1.490 1
1 434 . 10 1 1 A 40 40 LEU N N 40 121.912 120.305 1.607 1
1 435 . 10 1 1 A 41 41 ALA H H 41 8.449 7.480 0.969 1
1 436 . 10 1 1 A 41 41 ALA HA H 41 3.629 4.174 -0.545 1
1 440 . 10 1 1 A 41 41 ALA C C 41 179.199 179.331 -0.132 1
1 441 . 10 1 1 A 41 41 ALA CA C 41 56.202 54.794 1.408 1
1 442 . 10 1 1 A 41 41 ALA CB C 41 17.819 18.271 -0.452 1
1 443 . 10 1 1 A 41 41 ALA N N 41 120.020 121.734 -1.714 1
1 444 . 10 1 1 A 42 42 ALA H H 42 7.800 8.226 -0.426 1
1 445 . 10 1 1 A 42 42 ALA HA H 42 4.240 4.241 -0.001 1
1 449 . 10 1 1 A 42 42 ALA C C 42 181.146 179.377 1.769 1
1 450 . 10 1 1 A 42 42 ALA CA C 42 54.991 54.241 0.750 1
1 451 . 10 1 1 A 42 42 ALA CB C 42 17.983 18.886 -0.903 1
1 452 . 10 1 1 A 42 42 ALA N N 42 118.414 119.882 -1.468 1
1 453 . 10 1 1 A 43 43 SER H H 43 8.172 8.066 0.106 1
1 454 . 10 1 1 A 43 43 SER HA H 43 4.314 4.447 -0.133 1
1 457 . 10 1 1 A 43 43 SER C C 43 175.817 176.802 -0.985 1
1 458 . 10 1 1 A 43 43 SER CA C 43 61.138 61.273 -0.135 1
1 459 . 10 1 1 A 43 43 SER CB C 43 63.341 63.226 0.115 1
1 460 . 10 1 1 A 43 43 SER N N 43 113.508 113.384 0.124 1
1 461 . 10 1 1 A 44 44 LEU H H 44 7.701 7.712 -0.011 1
1 462 . 10 1 1 A 44 44 LEU HA H 44 4.662 4.495 0.167 1
1 472 . 10 1 1 A 44 44 LEU C C 44 177.588 177.080 0.508 1
1 473 . 10 1 1 A 44 44 LEU CA C 44 54.556 55.546 -0.990 1
1 474 . 10 1 1 A 44 44 LEU CB C 44 44.134 42.544 1.590 1
1 478 . 10 1 1 A 44 44 LEU N N 44 117.384 119.033 -1.649 1
1 479 . 10 1 1 A 45 45 GLY H H 45 7.971 8.074 -0.103 1
1 480 . 10 1 1 A 45 45 GLY HA2 H 45 4.130 3.954 0.176 1
1 481 . 10 1 1 A 45 45 GLY HA3 H 45 3.991 3.956 0.035 1
1 482 . 10 1 1 A 45 45 GLY C C 45 174.538 174.339 0.199 1
1 483 . 10 1 1 A 45 45 GLY CA C 45 46.623 45.703 0.920 1
1 484 . 10 1 1 A 45 45 GLY N N 45 110.156 106.558 3.598 1
1 485 . 10 1 1 A 46 46 LEU H H 46 8.012 8.020 -0.008 1
1 486 . 10 1 1 A 46 46 LEU HA H 46 4.914 4.784 0.130 1
1 496 . 10 1 1 A 46 46 LEU C C 46 176.613 175.626 0.987 1
1 497 . 10 1 1 A 46 46 LEU CA C 46 52.652 53.443 -0.791 1
1 498 . 10 1 1 A 46 46 LEU CB C 46 46.882 42.909 3.973 1
1 502 . 10 1 1 A 46 46 LEU N N 46 119.755 121.677 -1.922 1
1 503 . 10 1 1 A 47 47 THR H H 47 8.846 8.393 0.453 1
1 504 . 10 1 1 A 47 47 THR HA H 47 4.681 4.867 -0.186 1
1 509 . 10 1 1 A 47 47 THR C C 47 176.869 175.459 1.410 1
1 510 . 10 1 1 A 47 47 THR CA C 47 60.326 59.461 0.865 1
1 511 . 10 1 1 A 47 47 THR CB C 47 70.720 70.816 -0.096 1
1 513 . 10 1 1 A 47 47 THR N N 47 109.908 114.097 -4.189 1
1 514 . 10 1 1 A 48 48 GLN H H 48 9.324 9.104 0.220 1
1 515 . 10 1 1 A 48 48 GLN HA H 48 3.708 3.976 -0.268 1
1 522 . 10 1 1 A 48 48 GLN C C 48 178.548 177.998 0.550 1
1 523 . 10 1 1 A 48 48 GLN CA C 48 60.839 59.210 1.629 1
1 524 . 10 1 1 A 48 48 GLN CB C 48 27.998 28.191 -0.193 1
1 526 . 10 1 1 A 48 48 GLN N N 48 120.589 127.197 -6.608 1
1 528 . 10 1 1 A 49 49 THR H H 49 8.172 7.746 0.426 1
1 529 . 10 1 1 A 49 49 THR HA H 49 3.908 4.182 -0.274 1
1 534 . 10 1 1 A 49 49 THR CA C 49 66.920 65.908 1.012 1
1 535 . 10 1 1 A 49 49 THR CB C 49 68.671 68.679 -0.008 1
1 537 . 10 1 1 A 49 49 THR N N 49 115.925 117.115 -1.190 1
1 538 . 10 1 1 A 50 50 GLN H H 50 8.005 8.208 -0.203 1
1 539 . 10 1 1 A 50 50 GLN HA H 50 4.049 4.407 -0.358 1
1 546 . 10 1 1 A 50 50 GLN C C 50 180.191 178.241 1.950 1
1 547 . 10 1 1 A 50 50 GLN CA C 50 59.633 58.056 1.577 1
1 548 . 10 1 1 A 50 50 GLN CB C 50 28.965 29.733 -0.768 1
1 550 . 10 1 1 A 50 50 GLN N N 50 120.680 120.331 0.349 1
1 552 . 10 1 1 A 51 51 VAL H H 51 7.759 8.087 -0.328 1
1 553 . 10 1 1 A 51 51 VAL HA H 51 3.754 3.833 -0.079 1
1 561 . 10 1 1 A 51 51 VAL C C 51 176.534 178.394 -1.860 1
1 562 . 10 1 1 A 51 51 VAL CA C 51 67.618 66.865 0.753 1
1 563 . 10 1 1 A 51 51 VAL CB C 51 32.052 31.447 0.605 1
1 566 . 10 1 1 A 51 51 VAL N N 51 119.814 120.532 -0.718 1
1 567 . 10 1 1 A 52 52 LYS H H 52 8.504 7.811 0.693 1
1 568 . 10 1 1 A 52 52 LYS HA H 52 4.301 4.111 0.190 1
1 577 . 10 1 1 A 52 52 LYS C C 52 179.918 179.489 0.429 1
1 578 . 10 1 1 A 52 52 LYS CA C 52 60.046 59.589 0.457 1
1 579 . 10 1 1 A 52 52 LYS CB C 52 33.392 32.406 0.986 1
1 583 . 10 1 1 A 52 52 LYS N N 52 121.422 119.201 2.221 1
1 584 . 10 1 1 A 53 53 ILE H H 53 8.775 8.165 0.610 1
1 585 . 10 1 1 A 53 53 ILE HA H 53 3.866 3.780 0.086 1
1 595 . 10 1 1 A 53 53 ILE C C 53 177.447 178.634 -1.187 1
1 596 . 10 1 1 A 53 53 ILE CA C 53 64.285 64.749 -0.464 1
1 597 . 10 1 1 A 53 53 ILE CB C 53 38.066 37.050 1.016 1
1 601 . 10 1 1 A 53 53 ILE N N 53 119.411 119.446 -0.035 1
1 602 . 10 1 1 A 54 54 TRP H H 54 8.052 8.008 0.044 1
1 603 . 10 1 1 A 54 54 TRP HA H 54 4.005 4.111 -0.106 1
1 612 . 10 1 1 A 54 54 TRP C C 54 179.712 178.289 1.423 1
1 613 . 10 1 1 A 54 54 TRP CA C 54 63.406 61.473 1.933 1
1 614 . 10 1 1 A 54 54 TRP CB C 54 28.935 29.494 -0.559 1
1 620 . 10 1 1 A 54 54 TRP N N 54 122.233 122.822 -0.589 1
1 622 . 10 1 1 A 55 55 PHE H H 55 8.720 8.459 0.261 1
1 623 . 10 1 1 A 55 55 PHE HA H 55 3.786 4.263 -0.477 1
1 631 . 10 1 1 A 55 55 PHE C C 55 177.753 177.996 -0.243 1
1 632 . 10 1 1 A 55 55 PHE CA C 55 63.194 61.615 1.579 1
1 633 . 10 1 1 A 55 55 PHE CB C 55 39.739 38.256 1.483 1
1 639 . 10 1 1 A 55 55 PHE N N 55 118.671 117.916 0.755 1
1 640 . 10 1 1 A 56 56 GLN H H 56 8.294 8.683 -0.389 1
1 641 . 10 1 1 A 56 56 GLN HA H 56 3.952 4.003 -0.051 1
1 648 . 10 1 1 A 56 56 GLN C C 56 179.029 178.487 0.542 1
1 649 . 10 1 1 A 56 56 GLN CA C 56 59.414 58.691 0.723 1
1 650 . 10 1 1 A 56 56 GLN CB C 56 28.724 28.969 -0.245 1
1 652 . 10 1 1 A 56 56 GLN N N 56 118.357 120.899 -2.542 1
1 654 . 10 1 1 A 57 57 ASN H H 57 8.580 8.353 0.227 1
1 655 . 10 1 1 A 57 57 ASN HA H 57 4.315 4.470 -0.155 1
1 660 . 10 1 1 A 57 57 ASN C C 57 177.717 177.671 0.046 1
1 661 . 10 1 1 A 57 57 ASN CA C 57 55.541 56.180 -0.639 1
1 662 . 10 1 1 A 57 57 ASN CB C 57 37.796 38.114 -0.318 1
1 663 . 10 1 1 A 57 57 ASN N N 57 118.858 117.786 1.072 1
1 665 . 10 1 1 A 58 58 LYS H H 58 7.761 7.744 0.017 1
1 666 . 10 1 1 A 58 58 LYS HA H 58 3.416 3.471 -0.055 1
1 675 . 10 1 1 A 58 58 LYS C C 58 178.937 178.457 0.480 1
1 676 . 10 1 1 A 58 58 LYS CA C 58 57.292 58.936 -1.644 1
1 677 . 10 1 1 A 58 58 LYS CB C 58 30.746 31.297 -0.551 1
1 681 . 10 1 1 A 58 58 LYS N N 58 122.418 120.937 1.481 1
1 682 . 10 1 1 A 59 59 ARG H H 59 7.965 7.677 0.288 1
1 683 . 10 1 1 A 59 59 ARG HA H 59 4.078 4.121 -0.043 1
1 690 . 10 1 1 A 59 59 ARG C C 59 178.804 178.321 0.483 1
1 691 . 10 1 1 A 59 59 ARG CA C 59 60.056 59.549 0.507 1
1 692 . 10 1 1 A 59 59 ARG CB C 59 31.573 29.980 1.593 1
1 695 . 10 1 1 A 59 59 ARG N N 59 116.992 119.946 -2.954 1
1 696 . 10 1 1 A 60 60 SER H H 60 7.733 7.473 0.260 1
1 697 . 10 1 1 A 60 60 SER HA H 60 4.308 4.375 -0.067 1
1 700 . 10 1 1 A 60 60 SER C C 60 175.262 175.056 0.206 1
1 701 . 10 1 1 A 60 60 SER CA C 60 60.550 59.763 0.787 1
1 702 . 10 1 1 A 60 60 SER CB C 60 63.304 62.586 0.718 1
1 703 . 10 1 1 A 60 60 SER N N 60 113.717 114.634 -0.917 1
1 704 . 10 1 1 A 61 61 LYS H H 61 7.622 7.691 -0.069 1
1 705 . 10 1 1 A 61 61 LYS HA H 61 4.218 4.355 -0.137 1
1 714 . 10 1 1 A 61 61 LYS C C 61 177.402 176.438 0.964 1
1 715 . 10 1 1 A 61 61 LYS CA C 61 56.989 55.704 1.285 1
1 716 . 10 1 1 A 61 61 LYS CB C 61 32.486 33.202 -0.716 1
1 720 . 10 1 1 A 61 61 LYS N N 61 121.107 118.614 2.493 1
1 721 . 10 1 1 A 62 62 ILE H H 62 7.632 7.090 0.542 1
1 722 . 10 1 1 A 62 62 ILE HA H 62 4.074 3.916 0.158 1
1 732 . 10 1 1 A 62 62 ILE C C 62 176.614 175.971 0.643 1
1 733 . 10 1 1 A 62 62 ILE CA C 62 61.960 61.882 0.078 1
1 734 . 10 1 1 A 62 62 ILE CB C 62 38.231 38.029 0.202 1
1 738 . 10 1 1 A 62 62 ILE N N 62 119.268 121.858 -2.590 1
1 739 . 10 1 1 A 63 63 LYS H H 63 8.100 8.283 -0.183 1
1 740 . 10 1 1 A 63 63 LYS HA H 63 4.304 4.089 0.215 1
1 747 . 10 1 1 A 63 63 LYS C C 63 176.623 176.190 0.433 1
1 748 . 10 1 1 A 63 63 LYS CA C 63 56.672 57.116 -0.444 1
1 749 . 10 1 1 A 63 63 LYS CB C 63 32.898 32.177 0.721 1
1 753 . 10 1 1 A 63 63 LYS N N 63 124.673 127.845 -3.172 1
1 754 . 10 1 1 A 64 64 LYS H H 64 8.272 8.553 -0.281 1
1 755 . 10 1 1 A 64 64 LYS C C 64 176.619 176.368 0.251 1
1 756 . 10 1 1 A 64 64 LYS CA C 64 56.531 54.499 2.032 1
1 757 . 10 1 1 A 64 64 LYS CB C 64 33.017 33.864 -0.847 1
1 758 . 10 1 1 A 64 64 LYS N N 64 122.722 125.880 -3.158 1
1 759 . 10 1 1 A 65 65 SER HA H 65 4.533 4.817 -0.284 1
1 762 . 10 1 1 A 65 65 SER C C 65 174.501 175.072 -0.571 1
1 763 . 10 1 1 A 65 65 SER CA C 65 58.364 57.064 1.300 1
1 764 . 10 1 1 A 65 65 SER CB C 65 64.210 64.238 -0.028 1
1 765 . 10 1 1 A 66 66 GLY H H 66 8.264 8.399 -0.135 1
1 766 . 10 1 1 A 66 66 GLY C C 66 171.884 174.730 -2.846 1
1 767 . 10 1 1 A 66 66 GLY CA C 66 44.719 43.992 0.727 1
1 768 . 10 1 1 A 66 66 GLY N N 66 110.727 108.237 2.490 1
1 772 . 10 1 1 A 67 67 PRO CA C 67 63.385 64.836 -1.451 1
1 773 . 10 1 1 A 67 67 PRO CB C 67 32.419 31.824 0.595 1
1 1 . 11 1 1 A 8 8 ARG HA H 8 4.360 5.205 -0.845 1
1 8 . 11 1 1 A 8 8 ARG C C 8 176.260 174.223 2.037 1
1 9 . 11 1 1 A 8 8 ARG CA C 8 55.966 53.704 2.262 1
1 10 . 11 1 1 A 8 8 ARG CB C 8 30.838 34.517 -3.679 1
1 13 . 11 1 1 A 9 9 LYS H H 9 8.400 8.477 -0.077 1
1 14 . 11 1 1 A 9 9 LYS C C 9 174.555 176.294 -1.739 1
1 15 . 11 1 1 A 9 9 LYS CA C 9 54.274 53.139 1.135 1
1 16 . 11 1 1 A 9 9 LYS CB C 9 32.440 33.694 -1.254 1
1 17 . 11 1 1 A 9 9 LYS N N 9 124.470 119.316 5.154 1
1 18 . 11 1 1 A 10 10 PRO HA H 10 4.441 4.389 0.052 1
1 25 . 11 1 1 A 10 10 PRO C C 10 176.789 177.282 -0.493 1
1 26 . 11 1 1 A 10 10 PRO CA C 10 63.088 65.146 -2.058 1
1 27 . 11 1 1 A 10 10 PRO CB C 10 32.156 32.017 0.139 1
1 30 . 11 1 1 A 11 11 ARG H H 11 8.471 8.228 0.243 1
1 31 . 11 1 1 A 11 11 ARG HA H 11 4.370 4.275 0.095 1
1 36 . 11 1 1 A 11 11 ARG C C 11 176.400 174.944 1.456 1
1 37 . 11 1 1 A 11 11 ARG CA C 11 56.439 56.708 -0.269 1
1 38 . 11 1 1 A 11 11 ARG CB C 11 30.710 30.048 0.662 1
1 40 . 11 1 1 A 11 11 ARG N N 11 121.881 117.783 4.098 1
1 41 . 11 1 1 A 12 12 THR HA H 12 4.270 4.724 -0.454 1
1 46 . 11 1 1 A 12 12 THR C C 12 173.737 175.782 -2.045 1
1 47 . 11 1 1 A 12 12 THR CA C 12 62.101 61.742 0.359 1
1 48 . 11 1 1 A 12 12 THR CB C 12 69.896 71.089 -1.193 1
1 50 . 11 1 1 A 13 13 ILE H H 13 8.215 8.517 -0.302 1
1 51 . 11 1 1 A 13 13 ILE HA H 13 4.063 3.864 0.199 1
1 61 . 11 1 1 A 13 13 ILE C C 13 175.361 175.786 -0.425 1
1 62 . 11 1 1 A 13 13 ILE CA C 13 61.109 63.997 -2.888 1
1 63 . 11 1 1 A 13 13 ILE CB C 13 38.748 38.257 0.491 1
1 67 . 11 1 1 A 13 13 ILE N N 13 124.648 123.926 0.722 1
1 68 . 11 1 1 A 14 14 TYR H H 14 7.928 7.806 0.122 1
1 69 . 11 1 1 A 14 14 TYR HA H 14 4.923 5.247 -0.324 1
1 76 . 11 1 1 A 14 14 TYR C C 14 176.009 174.972 1.037 1
1 77 . 11 1 1 A 14 14 TYR CA C 14 56.425 56.683 -0.258 1
1 78 . 11 1 1 A 14 14 TYR CB C 14 39.984 42.882 -2.898 1
1 83 . 11 1 1 A 14 14 TYR N N 14 122.287 119.567 2.720 1
1 84 . 11 1 1 A 15 15 SER H H 15 9.368 8.669 0.699 1
1 85 . 11 1 1 A 15 15 SER HA H 15 4.639 4.682 -0.043 1
1 88 . 11 1 1 A 15 15 SER C C 15 175.065 175.703 -0.638 1
1 89 . 11 1 1 A 15 15 SER CA C 15 56.918 58.406 -1.488 1
1 90 . 11 1 1 A 15 15 SER CB C 15 65.646 63.739 1.907 1
1 91 . 11 1 1 A 15 15 SER N N 15 119.482 118.282 1.200 1
1 92 . 11 1 1 A 16 16 SER HA H 16 4.181 4.090 0.091 1
1 95 . 11 1 1 A 16 16 SER CA C 16 62.192 61.691 0.501 1
1 96 . 11 1 1 A 16 16 SER CB C 16 62.188 62.312 -0.124 1
1 97 . 11 1 1 A 17 17 PHE H H 17 7.815 7.659 0.156 1
1 98 . 11 1 1 A 17 17 PHE HA H 17 4.313 4.162 0.151 1
1 106 . 11 1 1 A 17 17 PHE C C 17 177.979 178.135 -0.156 1
1 107 . 11 1 1 A 17 17 PHE CA C 17 60.981 61.551 -0.570 1
1 108 . 11 1 1 A 17 17 PHE CB C 17 39.519 39.116 0.403 1
1 114 . 11 1 1 A 17 17 PHE N N 17 119.320 124.069 -4.749 1
1 115 . 11 1 1 A 18 18 GLN H H 18 7.816 8.115 -0.299 1
1 116 . 11 1 1 A 18 18 GLN HA H 18 3.720 3.423 0.297 1
1 123 . 11 1 1 A 18 18 GLN C C 18 177.456 178.586 -1.130 1
1 124 . 11 1 1 A 18 18 GLN CA C 18 58.902 58.622 0.280 1
1 125 . 11 1 1 A 18 18 GLN CB C 18 28.118 28.366 -0.248 1
1 127 . 11 1 1 A 18 18 GLN N N 18 119.339 118.458 0.881 1
1 129 . 11 1 1 A 19 19 LEU H H 19 8.583 8.467 0.116 1
1 130 . 11 1 1 A 19 19 LEU HA H 19 3.570 3.708 -0.138 1
1 140 . 11 1 1 A 19 19 LEU C C 19 178.761 178.860 -0.099 1
1 141 . 11 1 1 A 19 19 LEU CA C 19 57.837 57.852 -0.015 1
1 142 . 11 1 1 A 19 19 LEU CB C 19 41.883 41.793 0.090 1
1 146 . 11 1 1 A 19 19 LEU N N 19 117.368 120.209 -2.841 1
1 147 . 11 1 1 A 20 20 ALA H H 20 7.918 8.311 -0.393 1
1 148 . 11 1 1 A 20 20 ALA HA H 20 4.019 3.994 0.025 1
1 152 . 11 1 1 A 20 20 ALA C C 20 180.256 180.137 0.119 1
1 153 . 11 1 1 A 20 20 ALA CA C 20 54.944 55.603 -0.659 1
1 154 . 11 1 1 A 20 20 ALA CB C 20 17.731 18.612 -0.881 1
1 155 . 11 1 1 A 20 20 ALA N N 20 120.010 120.860 -0.850 1
1 156 . 11 1 1 A 21 21 ALA H H 21 7.313 7.991 -0.678 1
1 157 . 11 1 1 A 21 21 ALA HA H 21 3.945 4.075 -0.130 1
1 161 . 11 1 1 A 21 21 ALA C C 21 181.088 179.751 1.337 1
1 162 . 11 1 1 A 21 21 ALA CA C 21 54.749 54.929 -0.180 1
1 163 . 11 1 1 A 21 21 ALA CB C 21 19.723 18.013 1.710 1
1 164 . 11 1 1 A 21 21 ALA N N 21 120.493 120.395 0.098 1
1 165 . 11 1 1 A 22 22 LEU H H 22 8.049 8.018 0.031 1
1 166 . 11 1 1 A 22 22 LEU HA H 22 3.507 3.595 -0.088 1
1 176 . 11 1 1 A 22 22 LEU C C 22 177.768 178.389 -0.621 1
1 177 . 11 1 1 A 22 22 LEU CA C 22 58.418 57.644 0.774 1
1 178 . 11 1 1 A 22 22 LEU CB C 22 38.280 41.162 -2.882 1
1 182 . 11 1 1 A 22 22 LEU N N 22 121.618 118.674 2.944 1
1 183 . 11 1 1 A 23 23 GLN H H 23 8.047 8.495 -0.448 1
1 184 . 11 1 1 A 23 23 GLN HA H 23 4.042 4.173 -0.131 1
1 191 . 11 1 1 A 23 23 GLN C C 23 178.945 178.865 0.080 1
1 192 . 11 1 1 A 23 23 GLN CA C 23 59.172 59.425 -0.253 1
1 193 . 11 1 1 A 23 23 GLN CB C 23 28.225 28.134 0.091 1
1 195 . 11 1 1 A 23 23 GLN N N 23 117.012 116.627 0.385 1
1 197 . 11 1 1 A 24 24 ARG H H 24 7.956 7.985 -0.029 1
1 198 . 11 1 1 A 24 24 ARG HA H 24 4.098 4.137 -0.039 1
1 205 . 11 1 1 A 24 24 ARG C C 24 179.440 178.545 0.895 1
1 206 . 11 1 1 A 24 24 ARG CA C 24 59.443 59.610 -0.167 1
1 207 . 11 1 1 A 24 24 ARG CB C 24 30.290 29.936 0.354 1
1 210 . 11 1 1 A 24 24 ARG N N 24 118.511 119.626 -1.115 1
1 211 . 11 1 1 A 25 25 ARG H H 25 7.768 7.919 -0.151 1
1 212 . 11 1 1 A 25 25 ARG HA H 25 4.380 4.144 0.236 1
1 219 . 11 1 1 A 25 25 ARG C C 25 177.933 178.446 -0.513 1
1 220 . 11 1 1 A 25 25 ARG CA C 25 56.993 59.056 -2.063 1
1 221 . 11 1 1 A 25 25 ARG CB C 25 28.118 30.012 -1.894 1
1 224 . 11 1 1 A 25 25 ARG N N 25 119.018 120.012 -0.994 1
1 225 . 11 1 1 A 26 26 PHE H H 26 8.739 8.497 0.242 1
1 226 . 11 1 1 A 26 26 PHE HA H 26 4.680 4.174 0.506 1
1 234 . 11 1 1 A 26 26 PHE C C 26 175.842 177.037 -1.195 1
1 235 . 11 1 1 A 26 26 PHE CA C 26 60.339 61.835 -1.496 1
1 236 . 11 1 1 A 26 26 PHE CB C 26 39.477 39.332 0.145 1
1 242 . 11 1 1 A 26 26 PHE N N 26 121.838 120.359 1.479 1
1 243 . 11 1 1 A 27 27 GLN H H 27 7.712 8.276 -0.564 1
1 244 . 11 1 1 A 27 27 GLN HA H 27 3.979 3.718 0.261 1
1 251 . 11 1 1 A 27 27 GLN C C 27 177.336 178.388 -1.052 1
1 252 . 11 1 1 A 27 27 GLN CA C 27 57.877 59.298 -1.421 1
1 253 . 11 1 1 A 27 27 GLN CB C 27 28.809 28.005 0.804 1
1 255 . 11 1 1 A 27 27 GLN N N 27 113.533 117.839 -4.306 1
1 257 . 11 1 1 A 28 28 LYS H H 28 7.469 7.285 0.184 1
1 258 . 11 1 1 A 28 28 LYS HA H 28 4.316 4.061 0.255 1
1 267 . 11 1 1 A 28 28 LYS C C 28 177.011 176.055 0.956 1
1 268 . 11 1 1 A 28 28 LYS CA C 28 57.805 58.786 -0.981 1
1 269 . 11 1 1 A 28 28 LYS CB C 28 33.639 32.632 1.007 1
1 273 . 11 1 1 A 28 28 LYS N N 28 117.851 119.912 -2.061 1
1 274 . 11 1 1 A 29 29 THR H H 29 8.373 7.368 1.005 1
1 275 . 11 1 1 A 29 29 THR HA H 29 4.457 4.449 0.008 1
1 280 . 11 1 1 A 29 29 THR C C 29 171.650 173.298 -1.648 1
1 281 . 11 1 1 A 29 29 THR CA C 29 59.598 60.350 -0.752 1
1 282 . 11 1 1 A 29 29 THR CB C 29 70.546 70.734 -0.188 1
1 284 . 11 1 1 A 29 29 THR N N 29 113.944 111.311 2.633 1
1 285 . 11 1 1 A 30 30 GLN H H 30 8.210 8.264 -0.054 1
1 286 . 11 1 1 A 30 30 GLN HA H 30 3.863 4.054 -0.191 1
1 293 . 11 1 1 A 30 30 GLN C C 30 174.111 175.507 -1.396 1
1 294 . 11 1 1 A 30 30 GLN CA C 30 56.868 57.091 -0.223 1
1 295 . 11 1 1 A 30 30 GLN CB C 30 27.841 29.440 -1.599 1
1 297 . 11 1 1 A 30 30 GLN N N 30 121.138 123.725 -2.587 1
1 299 . 11 1 1 A 31 31 TYR H H 31 7.532 7.150 0.382 1
1 300 . 11 1 1 A 31 31 TYR HA H 31 4.700 5.158 -0.458 1
1 307 . 11 1 1 A 31 31 TYR C C 31 174.485 175.622 -1.137 1
1 308 . 11 1 1 A 31 31 TYR CA C 31 56.954 57.545 -0.591 1
1 309 . 11 1 1 A 31 31 TYR CB C 31 41.374 40.612 0.762 1
1 314 . 11 1 1 A 31 31 TYR N N 31 114.987 117.371 -2.384 1
1 315 . 11 1 1 A 32 32 LEU H H 32 8.382 8.989 -0.607 1
1 316 . 11 1 1 A 32 32 LEU HA H 32 4.486 5.171 -0.685 1
1 326 . 11 1 1 A 32 32 LEU C C 32 176.526 176.548 -0.022 1
1 327 . 11 1 1 A 32 32 LEU CA C 32 53.216 53.490 -0.274 1
1 328 . 11 1 1 A 32 32 LEU CB C 32 44.134 44.966 -0.832 1
1 332 . 11 1 1 A 32 32 LEU N N 32 123.429 123.843 -0.414 1
1 333 . 11 1 1 A 33 33 ALA H H 33 8.805 8.869 -0.064 1
1 334 . 11 1 1 A 33 33 ALA HA H 33 4.469 4.591 -0.122 1
1 338 . 11 1 1 A 33 33 ALA C C 33 178.230 177.756 0.474 1
1 339 . 11 1 1 A 33 33 ALA CA C 33 51.183 51.600 -0.417 1
1 340 . 11 1 1 A 33 33 ALA CB C 33 19.852 20.361 -0.509 1
1 341 . 11 1 1 A 33 33 ALA N N 33 126.131 124.598 1.533 1
1 342 . 11 1 1 A 34 34 LEU H H 34 8.898 8.691 0.207 1
1 343 . 11 1 1 A 34 34 LEU HA H 34 4.088 4.014 0.074 1
1 353 . 11 1 1 A 34 34 LEU C C 34 178.245 175.356 2.889 1
1 354 . 11 1 1 A 34 34 LEU CA C 34 60.712 59.758 0.954 1
1 355 . 11 1 1 A 34 34 LEU CB C 34 39.135 40.876 -1.741 1
1 359 . 11 1 1 A 34 34 LEU N N 34 122.061 121.637 0.424 1
1 360 . 11 1 1 A 35 35 PRO HA H 35 4.378 4.283 0.095 1
1 367 . 11 1 1 A 35 35 PRO C C 35 179.888 178.834 1.054 1
1 368 . 11 1 1 A 35 35 PRO CA C 35 65.894 66.095 -0.201 1
1 369 . 11 1 1 A 35 35 PRO CB C 35 30.618 30.554 0.064 1
1 372 . 11 1 1 A 36 36 GLU H H 36 6.984 8.232 -1.248 1
1 373 . 11 1 1 A 36 36 GLU HA H 36 4.192 4.064 0.128 1
1 378 . 11 1 1 A 36 36 GLU C C 36 179.230 178.714 0.516 1
1 379 . 11 1 1 A 36 36 GLU CA C 36 58.631 59.646 -1.015 1
1 380 . 11 1 1 A 36 36 GLU CB C 36 30.290 29.111 1.179 1
1 382 . 11 1 1 A 36 36 GLU N N 36 116.910 118.105 -1.195 1
1 383 . 11 1 1 A 37 37 ARG H H 37 8.489 8.534 -0.045 1
1 384 . 11 1 1 A 37 37 ARG HA H 37 3.741 3.874 -0.133 1
1 391 . 11 1 1 A 37 37 ARG C C 37 177.835 177.920 -0.085 1
1 392 . 11 1 1 A 37 37 ARG CA C 37 60.076 59.081 0.995 1
1 393 . 11 1 1 A 37 37 ARG CB C 37 30.775 29.920 0.855 1
1 396 . 11 1 1 A 37 37 ARG N N 37 121.545 119.964 1.581 1
1 397 . 11 1 1 A 38 38 ALA H H 38 8.308 7.829 0.479 1
1 398 . 11 1 1 A 38 38 ALA HA H 38 3.941 4.056 -0.115 1
1 402 . 11 1 1 A 38 38 ALA C C 38 180.311 178.803 1.508 1
1 403 . 11 1 1 A 38 38 ALA CA C 38 55.446 54.874 0.572 1
1 404 . 11 1 1 A 38 38 ALA CB C 38 18.082 18.506 -0.424 1
1 405 . 11 1 1 A 38 38 ALA N N 38 120.571 120.989 -0.418 1
1 406 . 11 1 1 A 39 39 GLU H H 39 7.819 8.394 -0.575 1
1 407 . 11 1 1 A 39 39 GLU HA H 39 4.125 4.065 0.060 1
1 412 . 11 1 1 A 39 39 GLU C C 39 178.851 179.006 -0.155 1
1 413 . 11 1 1 A 39 39 GLU CA C 39 59.257 59.420 -0.163 1
1 414 . 11 1 1 A 39 39 GLU CB C 39 29.806 29.247 0.559 1
1 416 . 11 1 1 A 39 39 GLU N N 39 119.614 118.966 0.648 1
1 417 . 11 1 1 A 40 40 LEU H H 40 8.251 7.845 0.406 1
1 418 . 11 1 1 A 40 40 LEU HA H 40 4.149 4.072 0.077 1
1 428 . 11 1 1 A 40 40 LEU C C 40 178.939 179.239 -0.300 1
1 429 . 11 1 1 A 40 40 LEU CA C 40 57.625 57.696 -0.071 1
1 430 . 11 1 1 A 40 40 LEU CB C 40 42.239 40.993 1.246 1
1 434 . 11 1 1 A 40 40 LEU N N 40 121.912 120.033 1.879 1
1 435 . 11 1 1 A 41 41 ALA H H 41 8.449 7.830 0.619 1
1 436 . 11 1 1 A 41 41 ALA HA H 41 3.629 4.025 -0.396 1
1 440 . 11 1 1 A 41 41 ALA C C 41 179.199 179.675 -0.476 1
1 441 . 11 1 1 A 41 41 ALA CA C 41 56.202 55.106 1.096 1
1 442 . 11 1 1 A 41 41 ALA CB C 41 17.819 18.254 -0.435 1
1 443 . 11 1 1 A 41 41 ALA N N 41 120.020 122.077 -2.057 1
1 444 . 11 1 1 A 42 42 ALA H H 42 7.800 8.249 -0.449 1
1 445 . 11 1 1 A 42 42 ALA HA H 42 4.240 4.262 -0.022 1
1 449 . 11 1 1 A 42 42 ALA C C 42 181.146 179.427 1.719 1
1 450 . 11 1 1 A 42 42 ALA CA C 42 54.991 54.750 0.241 1
1 451 . 11 1 1 A 42 42 ALA CB C 42 17.983 18.664 -0.681 1
1 452 . 11 1 1 A 42 42 ALA N N 42 118.414 120.171 -1.757 1
1 453 . 11 1 1 A 43 43 SER H H 43 8.172 8.220 -0.048 1
1 454 . 11 1 1 A 43 43 SER HA H 43 4.314 4.299 0.015 1
1 457 . 11 1 1 A 43 43 SER C C 43 175.817 176.586 -0.769 1
1 458 . 11 1 1 A 43 43 SER CA C 43 61.138 61.490 -0.352 1
1 459 . 11 1 1 A 43 43 SER CB C 43 63.341 62.896 0.445 1
1 460 . 11 1 1 A 43 43 SER N N 43 113.508 113.626 -0.118 1
1 461 . 11 1 1 A 44 44 LEU H H 44 7.701 8.118 -0.417 1
1 462 . 11 1 1 A 44 44 LEU HA H 44 4.662 4.302 0.360 1
1 472 . 11 1 1 A 44 44 LEU C C 44 177.588 177.071 0.517 1
1 473 . 11 1 1 A 44 44 LEU CA C 44 54.556 54.861 -0.305 1
1 474 . 11 1 1 A 44 44 LEU CB C 44 44.134 42.115 2.019 1
1 478 . 11 1 1 A 44 44 LEU N N 44 117.384 118.671 -1.287 1
1 479 . 11 1 1 A 45 45 GLY H H 45 7.971 7.875 0.096 1
1 480 . 11 1 1 A 45 45 GLY HA2 H 45 4.130 3.994 0.136 1
1 481 . 11 1 1 A 45 45 GLY HA3 H 45 3.991 4.019 -0.028 1
1 482 . 11 1 1 A 45 45 GLY C C 45 174.538 174.261 0.277 1
1 483 . 11 1 1 A 45 45 GLY CA C 45 46.623 46.230 0.393 1
1 484 . 11 1 1 A 45 45 GLY N N 45 110.156 107.966 2.190 1
1 485 . 11 1 1 A 46 46 LEU H H 46 8.012 7.946 0.066 1
1 486 . 11 1 1 A 46 46 LEU HA H 46 4.914 4.779 0.135 1
1 496 . 11 1 1 A 46 46 LEU C C 46 176.613 175.667 0.946 1
1 497 . 11 1 1 A 46 46 LEU CA C 46 52.652 53.516 -0.864 1
1 498 . 11 1 1 A 46 46 LEU CB C 46 46.882 42.850 4.032 1
1 502 . 11 1 1 A 46 46 LEU N N 46 119.755 121.468 -1.713 1
1 503 . 11 1 1 A 47 47 THR H H 47 8.846 8.381 0.465 1
1 504 . 11 1 1 A 47 47 THR HA H 47 4.681 4.810 -0.129 1
1 509 . 11 1 1 A 47 47 THR C C 47 176.869 175.596 1.273 1
1 510 . 11 1 1 A 47 47 THR CA C 47 60.326 59.360 0.966 1
1 511 . 11 1 1 A 47 47 THR CB C 47 70.720 70.688 0.032 1
1 513 . 11 1 1 A 47 47 THR N N 47 109.908 114.266 -4.358 1
1 514 . 11 1 1 A 48 48 GLN H H 48 9.324 9.132 0.192 1
1 515 . 11 1 1 A 48 48 GLN HA H 48 3.708 3.942 -0.234 1
1 522 . 11 1 1 A 48 48 GLN C C 48 178.548 177.974 0.574 1
1 523 . 11 1 1 A 48 48 GLN CA C 48 60.839 59.450 1.389 1
1 524 . 11 1 1 A 48 48 GLN CB C 48 27.998 28.230 -0.232 1
1 526 . 11 1 1 A 48 48 GLN N N 48 120.589 127.459 -6.870 1
1 528 . 11 1 1 A 49 49 THR H H 49 8.172 7.526 0.646 1
1 529 . 11 1 1 A 49 49 THR HA H 49 3.908 4.044 -0.136 1
1 534 . 11 1 1 A 49 49 THR CA C 49 66.920 66.258 0.662 1
1 535 . 11 1 1 A 49 49 THR CB C 49 68.671 68.591 0.080 1
1 537 . 11 1 1 A 49 49 THR N N 49 115.925 117.946 -2.021 1
1 538 . 11 1 1 A 50 50 GLN H H 50 8.005 8.247 -0.242 1
1 539 . 11 1 1 A 50 50 GLN HA H 50 4.049 4.356 -0.307 1
1 546 . 11 1 1 A 50 50 GLN C C 50 180.191 178.198 1.993 1
1 547 . 11 1 1 A 50 50 GLN CA C 50 59.633 58.227 1.406 1
1 548 . 11 1 1 A 50 50 GLN CB C 50 28.965 29.497 -0.532 1
1 550 . 11 1 1 A 50 50 GLN N N 50 120.680 120.183 0.497 1
1 552 . 11 1 1 A 51 51 VAL H H 51 7.759 8.201 -0.442 1
1 553 . 11 1 1 A 51 51 VAL HA H 51 3.754 3.803 -0.049 1
1 561 . 11 1 1 A 51 51 VAL C C 51 176.534 178.472 -1.938 1
1 562 . 11 1 1 A 51 51 VAL CA C 51 67.618 66.417 1.201 1
1 563 . 11 1 1 A 51 51 VAL CB C 51 32.052 31.623 0.429 1
1 566 . 11 1 1 A 51 51 VAL N N 51 119.814 120.803 -0.989 1
1 567 . 11 1 1 A 52 52 LYS H H 52 8.504 7.746 0.758 1
1 568 . 11 1 1 A 52 52 LYS HA H 52 4.301 4.115 0.186 1
1 577 . 11 1 1 A 52 52 LYS C C 52 179.918 179.774 0.144 1
1 578 . 11 1 1 A 52 52 LYS CA C 52 60.046 59.565 0.481 1
1 579 . 11 1 1 A 52 52 LYS CB C 52 33.392 32.422 0.970 1
1 583 . 11 1 1 A 52 52 LYS N N 52 121.422 119.529 1.893 1
1 584 . 11 1 1 A 53 53 ILE H H 53 8.775 8.245 0.530 1
1 585 . 11 1 1 A 53 53 ILE HA H 53 3.866 3.701 0.165 1
1 595 . 11 1 1 A 53 53 ILE C C 53 177.447 178.369 -0.922 1
1 596 . 11 1 1 A 53 53 ILE CA C 53 64.285 65.419 -1.134 1
1 597 . 11 1 1 A 53 53 ILE CB C 53 38.066 37.782 0.284 1
1 601 . 11 1 1 A 53 53 ILE N N 53 119.411 120.284 -0.873 1
1 602 . 11 1 1 A 54 54 TRP H H 54 8.052 8.285 -0.233 1
1 603 . 11 1 1 A 54 54 TRP HA H 54 4.005 4.143 -0.138 1
1 612 . 11 1 1 A 54 54 TRP C C 54 179.712 178.319 1.393 1
1 613 . 11 1 1 A 54 54 TRP CA C 54 63.406 61.335 2.071 1
1 614 . 11 1 1 A 54 54 TRP CB C 54 28.935 29.254 -0.319 1
1 620 . 11 1 1 A 54 54 TRP N N 54 122.233 121.857 0.376 1
1 622 . 11 1 1 A 55 55 PHE H H 55 8.720 8.169 0.551 1
1 623 . 11 1 1 A 55 55 PHE HA H 55 3.786 4.295 -0.509 1
1 631 . 11 1 1 A 55 55 PHE C C 55 177.753 178.354 -0.601 1
1 632 . 11 1 1 A 55 55 PHE CA C 55 63.194 62.027 1.167 1
1 633 . 11 1 1 A 55 55 PHE CB C 55 39.739 38.763 0.976 1
1 639 . 11 1 1 A 55 55 PHE N N 55 118.671 117.924 0.747 1
1 640 . 11 1 1 A 56 56 GLN H H 56 8.294 8.725 -0.431 1
1 641 . 11 1 1 A 56 56 GLN HA H 56 3.952 4.043 -0.091 1
1 648 . 11 1 1 A 56 56 GLN C C 56 179.029 177.880 1.149 1
1 649 . 11 1 1 A 56 56 GLN CA C 56 59.414 58.748 0.666 1
1 650 . 11 1 1 A 56 56 GLN CB C 56 28.724 28.728 -0.004 1
1 652 . 11 1 1 A 56 56 GLN N N 56 118.357 119.544 -1.187 1
1 654 . 11 1 1 A 57 57 ASN H H 57 8.580 8.671 -0.091 1
1 655 . 11 1 1 A 57 57 ASN HA H 57 4.315 4.332 -0.017 1
1 660 . 11 1 1 A 57 57 ASN C C 57 177.717 178.167 -0.450 1
1 661 . 11 1 1 A 57 57 ASN CA C 57 55.541 55.848 -0.307 1
1 662 . 11 1 1 A 57 57 ASN CB C 57 37.796 38.254 -0.458 1
1 663 . 11 1 1 A 57 57 ASN N N 57 118.858 117.060 1.798 1
1 665 . 11 1 1 A 58 58 LYS H H 58 7.761 7.212 0.549 1
1 666 . 11 1 1 A 58 58 LYS HA H 58 3.416 3.666 -0.250 1
1 675 . 11 1 1 A 58 58 LYS C C 58 178.937 179.518 -0.581 1
1 676 . 11 1 1 A 58 58 LYS CA C 58 57.292 59.349 -2.057 1
1 677 . 11 1 1 A 58 58 LYS CB C 58 30.746 31.380 -0.634 1
1 681 . 11 1 1 A 58 58 LYS N N 58 122.418 120.732 1.686 1
1 682 . 11 1 1 A 59 59 ARG H H 59 7.965 8.063 -0.098 1
1 683 . 11 1 1 A 59 59 ARG HA H 59 4.078 4.178 -0.100 1
1 690 . 11 1 1 A 59 59 ARG C C 59 178.804 178.940 -0.136 1
1 691 . 11 1 1 A 59 59 ARG CA C 59 60.056 60.009 0.047 1
1 692 . 11 1 1 A 59 59 ARG CB C 59 31.573 30.064 1.509 1
1 695 . 11 1 1 A 59 59 ARG N N 59 116.992 119.680 -2.688 1
1 696 . 11 1 1 A 60 60 SER H H 60 7.733 7.528 0.205 1
1 697 . 11 1 1 A 60 60 SER HA H 60 4.308 4.085 0.223 1
1 700 . 11 1 1 A 60 60 SER C C 60 175.262 177.338 -2.076 1
1 701 . 11 1 1 A 60 60 SER CA C 60 60.550 61.740 -1.190 1
1 702 . 11 1 1 A 60 60 SER CB C 60 63.304 62.975 0.329 1
1 703 . 11 1 1 A 60 60 SER N N 60 113.717 114.937 -1.220 1
1 704 . 11 1 1 A 61 61 LYS H H 61 7.622 7.917 -0.295 1
1 705 . 11 1 1 A 61 61 LYS HA H 61 4.218 4.014 0.204 1
1 714 . 11 1 1 A 61 61 LYS C C 61 177.402 177.755 -0.353 1
1 715 . 11 1 1 A 61 61 LYS CA C 61 56.989 59.401 -2.412 1
1 716 . 11 1 1 A 61 61 LYS CB C 61 32.486 32.279 0.207 1
1 720 . 11 1 1 A 61 61 LYS N N 61 121.107 120.201 0.906 1
1 721 . 11 1 1 A 62 62 ILE H H 62 7.632 7.393 0.239 1
1 722 . 11 1 1 A 62 62 ILE HA H 62 4.074 3.996 0.078 1
1 732 . 11 1 1 A 62 62 ILE C C 62 176.614 175.706 0.908 1
1 733 . 11 1 1 A 62 62 ILE CA C 62 61.960 62.057 -0.097 1
1 734 . 11 1 1 A 62 62 ILE CB C 62 38.231 37.699 0.532 1
1 738 . 11 1 1 A 62 62 ILE N N 62 119.268 120.741 -1.473 1
1 739 . 11 1 1 A 63 63 LYS H H 63 8.100 8.388 -0.288 1
1 740 . 11 1 1 A 63 63 LYS HA H 63 4.304 4.276 0.028 1
1 747 . 11 1 1 A 63 63 LYS C C 63 176.623 177.037 -0.414 1
1 748 . 11 1 1 A 63 63 LYS CA C 63 56.672 56.421 0.251 1
1 749 . 11 1 1 A 63 63 LYS CB C 63 32.898 32.864 0.034 1
1 753 . 11 1 1 A 63 63 LYS N N 63 124.673 127.907 -3.234 1
1 754 . 11 1 1 A 64 64 LYS H H 64 8.272 8.362 -0.090 1
1 755 . 11 1 1 A 64 64 LYS C C 64 176.619 176.261 0.358 1
1 756 . 11 1 1 A 64 64 LYS CA C 64 56.531 56.534 -0.003 1
1 757 . 11 1 1 A 64 64 LYS CB C 64 33.017 32.646 0.371 1
1 758 . 11 1 1 A 64 64 LYS N N 64 122.722 123.616 -0.894 1
1 759 . 11 1 1 A 65 65 SER HA H 65 4.533 4.832 -0.299 1
1 762 . 11 1 1 A 65 65 SER C C 65 174.501 174.445 0.056 1
1 763 . 11 1 1 A 65 65 SER CA C 65 58.364 58.024 0.340 1
1 764 . 11 1 1 A 65 65 SER CB C 65 64.210 64.297 -0.087 1
1 765 . 11 1 1 A 66 66 GLY H H 66 8.264 8.669 -0.405 1
1 766 . 11 1 1 A 66 66 GLY C C 66 171.884 172.282 -0.398 1
1 767 . 11 1 1 A 66 66 GLY CA C 66 44.719 45.740 -1.021 1
1 768 . 11 1 1 A 66 66 GLY N N 66 110.727 111.556 -0.829 1
1 772 . 11 1 1 A 67 67 PRO CA C 67 63.385 62.357 1.028 1
1 773 . 11 1 1 A 67 67 PRO CB C 67 32.419 32.887 -0.468 1
1 1 . 12 1 1 A 8 8 ARG HA H 8 4.360 5.020 -0.660 1
1 8 . 12 1 1 A 8 8 ARG C C 8 176.260 174.932 1.328 1
1 9 . 12 1 1 A 8 8 ARG CA C 8 55.966 54.671 1.295 1
1 10 . 12 1 1 A 8 8 ARG CB C 8 30.838 33.096 -2.258 1
1 13 . 12 1 1 A 9 9 LYS H H 9 8.400 8.564 -0.164 1
1 14 . 12 1 1 A 9 9 LYS C C 9 174.555 175.334 -0.779 1
1 15 . 12 1 1 A 9 9 LYS CA C 9 54.274 53.811 0.463 1
1 16 . 12 1 1 A 9 9 LYS CB C 9 32.440 36.291 -3.851 1
1 17 . 12 1 1 A 9 9 LYS N N 9 124.470 123.290 1.180 1
1 18 . 12 1 1 A 10 10 PRO HA H 10 4.441 4.441 0.000 1
1 25 . 12 1 1 A 10 10 PRO C C 10 176.789 176.681 0.108 1
1 26 . 12 1 1 A 10 10 PRO CA C 10 63.088 65.174 -2.086 1
1 27 . 12 1 1 A 10 10 PRO CB C 10 32.156 31.970 0.186 1
1 30 . 12 1 1 A 11 11 ARG H H 11 8.471 8.136 0.335 1
1 31 . 12 1 1 A 11 11 ARG HA H 11 4.370 4.663 -0.293 1
1 36 . 12 1 1 A 11 11 ARG C C 11 176.400 174.949 1.451 1
1 37 . 12 1 1 A 11 11 ARG CA C 11 56.439 55.155 1.284 1
1 38 . 12 1 1 A 11 11 ARG CB C 11 30.710 31.257 -0.547 1
1 40 . 12 1 1 A 11 11 ARG N N 11 121.881 117.837 4.044 1
1 41 . 12 1 1 A 12 12 THR HA H 12 4.270 4.637 -0.367 1
1 46 . 12 1 1 A 12 12 THR C C 12 173.737 175.906 -2.169 1
1 47 . 12 1 1 A 12 12 THR CA C 12 62.101 62.152 -0.051 1
1 48 . 12 1 1 A 12 12 THR CB C 12 69.896 69.974 -0.078 1
1 50 . 12 1 1 A 13 13 ILE H H 13 8.215 8.605 -0.390 1
1 51 . 12 1 1 A 13 13 ILE HA H 13 4.063 3.889 0.174 1
1 61 . 12 1 1 A 13 13 ILE C C 13 175.361 175.962 -0.601 1
1 62 . 12 1 1 A 13 13 ILE CA C 13 61.109 63.458 -2.349 1
1 63 . 12 1 1 A 13 13 ILE CB C 13 38.748 38.276 0.472 1
1 67 . 12 1 1 A 13 13 ILE N N 13 124.648 122.861 1.787 1
1 68 . 12 1 1 A 14 14 TYR H H 14 7.928 7.772 0.156 1
1 69 . 12 1 1 A 14 14 TYR HA H 14 4.923 5.266 -0.343 1
1 76 . 12 1 1 A 14 14 TYR C C 14 176.009 175.167 0.842 1
1 77 . 12 1 1 A 14 14 TYR CA C 14 56.425 56.965 -0.540 1
1 78 . 12 1 1 A 14 14 TYR CB C 14 39.984 42.394 -2.410 1
1 83 . 12 1 1 A 14 14 TYR N N 14 122.287 120.174 2.113 1
1 84 . 12 1 1 A 15 15 SER H H 15 9.368 8.162 1.206 1
1 85 . 12 1 1 A 15 15 SER HA H 15 4.639 4.601 0.038 1
1 88 . 12 1 1 A 15 15 SER C C 15 175.065 175.791 -0.726 1
1 89 . 12 1 1 A 15 15 SER CA C 15 56.918 58.900 -1.982 1
1 90 . 12 1 1 A 15 15 SER CB C 15 65.646 63.980 1.666 1
1 91 . 12 1 1 A 15 15 SER N N 15 119.482 119.218 0.264 1
1 92 . 12 1 1 A 16 16 SER HA H 16 4.181 4.101 0.080 1
1 95 . 12 1 1 A 16 16 SER CA C 16 62.192 61.676 0.516 1
1 96 . 12 1 1 A 16 16 SER CB C 16 62.188 62.439 -0.251 1
1 97 . 12 1 1 A 17 17 PHE H H 17 7.815 7.557 0.258 1
1 98 . 12 1 1 A 17 17 PHE HA H 17 4.313 4.154 0.159 1
1 106 . 12 1 1 A 17 17 PHE C C 17 177.979 178.112 -0.133 1
1 107 . 12 1 1 A 17 17 PHE CA C 17 60.981 61.458 -0.477 1
1 108 . 12 1 1 A 17 17 PHE CB C 17 39.519 39.115 0.404 1
1 114 . 12 1 1 A 17 17 PHE N N 17 119.320 124.128 -4.808 1
1 115 . 12 1 1 A 18 18 GLN H H 18 7.816 8.137 -0.321 1
1 116 . 12 1 1 A 18 18 GLN HA H 18 3.720 3.554 0.166 1
1 123 . 12 1 1 A 18 18 GLN C C 18 177.456 179.135 -1.679 1
1 124 . 12 1 1 A 18 18 GLN CA C 18 58.902 58.619 0.283 1
1 125 . 12 1 1 A 18 18 GLN CB C 18 28.118 28.332 -0.214 1
1 127 . 12 1 1 A 18 18 GLN N N 18 119.339 118.113 1.226 1
1 129 . 12 1 1 A 19 19 LEU H H 19 8.583 8.215 0.368 1
1 130 . 12 1 1 A 19 19 LEU HA H 19 3.570 3.849 -0.279 1
1 140 . 12 1 1 A 19 19 LEU C C 19 178.761 178.534 0.227 1
1 141 . 12 1 1 A 19 19 LEU CA C 19 57.837 57.732 0.105 1
1 142 . 12 1 1 A 19 19 LEU CB C 19 41.883 41.606 0.277 1
1 146 . 12 1 1 A 19 19 LEU N N 19 117.368 120.839 -3.471 1
1 147 . 12 1 1 A 20 20 ALA H H 20 7.918 8.484 -0.566 1
1 148 . 12 1 1 A 20 20 ALA HA H 20 4.019 3.959 0.060 1
1 152 . 12 1 1 A 20 20 ALA C C 20 180.256 179.543 0.713 1
1 153 . 12 1 1 A 20 20 ALA CA C 20 54.944 55.670 -0.726 1
1 154 . 12 1 1 A 20 20 ALA CB C 20 17.731 18.697 -0.966 1
1 155 . 12 1 1 A 20 20 ALA N N 20 120.010 121.039 -1.029 1
1 156 . 12 1 1 A 21 21 ALA H H 21 7.313 7.246 0.067 1
1 157 . 12 1 1 A 21 21 ALA HA H 21 3.945 4.034 -0.089 1
1 161 . 12 1 1 A 21 21 ALA C C 21 181.088 179.343 1.745 1
1 162 . 12 1 1 A 21 21 ALA CA C 21 54.749 54.878 -0.129 1
1 163 . 12 1 1 A 21 21 ALA CB C 21 19.723 18.303 1.420 1
1 164 . 12 1 1 A 21 21 ALA N N 21 120.493 120.642 -0.149 1
1 165 . 12 1 1 A 22 22 LEU H H 22 8.049 7.946 0.103 1
1 166 . 12 1 1 A 22 22 LEU HA H 22 3.507 3.617 -0.110 1
1 176 . 12 1 1 A 22 22 LEU C C 22 177.768 178.538 -0.770 1
1 177 . 12 1 1 A 22 22 LEU CA C 22 58.418 57.612 0.806 1
1 178 . 12 1 1 A 22 22 LEU CB C 22 38.280 40.919 -2.639 1
1 182 . 12 1 1 A 22 22 LEU N N 22 121.618 118.649 2.969 1
1 183 . 12 1 1 A 23 23 GLN H H 23 8.047 8.387 -0.340 1
1 184 . 12 1 1 A 23 23 GLN HA H 23 4.042 4.091 -0.049 1
1 191 . 12 1 1 A 23 23 GLN C C 23 178.945 178.781 0.164 1
1 192 . 12 1 1 A 23 23 GLN CA C 23 59.172 59.273 -0.101 1
1 193 . 12 1 1 A 23 23 GLN CB C 23 28.225 28.147 0.078 1
1 195 . 12 1 1 A 23 23 GLN N N 23 117.012 116.914 0.098 1
1 197 . 12 1 1 A 24 24 ARG H H 24 7.956 7.721 0.235 1
1 198 . 12 1 1 A 24 24 ARG HA H 24 4.098 3.994 0.104 1
1 205 . 12 1 1 A 24 24 ARG C C 24 179.440 178.737 0.703 1
1 206 . 12 1 1 A 24 24 ARG CA C 24 59.443 59.513 -0.070 1
1 207 . 12 1 1 A 24 24 ARG CB C 24 30.290 29.897 0.393 1
1 210 . 12 1 1 A 24 24 ARG N N 24 118.511 120.278 -1.767 1
1 211 . 12 1 1 A 25 25 ARG H H 25 7.768 7.789 -0.021 1
1 212 . 12 1 1 A 25 25 ARG HA H 25 4.380 4.152 0.228 1
1 219 . 12 1 1 A 25 25 ARG C C 25 177.933 178.492 -0.559 1
1 220 . 12 1 1 A 25 25 ARG CA C 25 56.993 59.060 -2.067 1
1 221 . 12 1 1 A 25 25 ARG CB C 25 28.118 30.031 -1.913 1
1 224 . 12 1 1 A 25 25 ARG N N 25 119.018 119.831 -0.813 1
1 225 . 12 1 1 A 26 26 PHE H H 26 8.739 8.434 0.305 1
1 226 . 12 1 1 A 26 26 PHE HA H 26 4.680 4.172 0.508 1
1 234 . 12 1 1 A 26 26 PHE C C 26 175.842 177.715 -1.873 1
1 235 . 12 1 1 A 26 26 PHE CA C 26 60.339 61.623 -1.284 1
1 236 . 12 1 1 A 26 26 PHE CB C 26 39.477 39.516 -0.039 1
1 242 . 12 1 1 A 26 26 PHE N N 26 121.838 120.338 1.500 1
1 243 . 12 1 1 A 27 27 GLN H H 27 7.712 8.060 -0.348 1
1 244 . 12 1 1 A 27 27 GLN HA H 27 3.979 3.786 0.193 1
1 251 . 12 1 1 A 27 27 GLN C C 27 177.336 178.711 -1.375 1
1 252 . 12 1 1 A 27 27 GLN CA C 27 57.877 59.318 -1.441 1
1 253 . 12 1 1 A 27 27 GLN CB C 27 28.809 28.513 0.296 1
1 255 . 12 1 1 A 27 27 GLN N N 27 113.533 118.341 -4.808 1
1 257 . 12 1 1 A 28 28 LYS H H 28 7.469 7.276 0.193 1
1 258 . 12 1 1 A 28 28 LYS HA H 28 4.316 4.100 0.216 1
1 267 . 12 1 1 A 28 28 LYS C C 28 177.011 176.819 0.192 1
1 268 . 12 1 1 A 28 28 LYS CA C 28 57.805 59.005 -1.200 1
1 269 . 12 1 1 A 28 28 LYS CB C 28 33.639 32.571 1.068 1
1 273 . 12 1 1 A 28 28 LYS N N 28 117.851 119.727 -1.876 1
1 274 . 12 1 1 A 29 29 THR H H 29 8.373 7.795 0.578 1
1 275 . 12 1 1 A 29 29 THR HA H 29 4.457 4.553 -0.096 1
1 280 . 12 1 1 A 29 29 THR C C 29 171.650 173.583 -1.933 1
1 281 . 12 1 1 A 29 29 THR CA C 29 59.598 60.516 -0.918 1
1 282 . 12 1 1 A 29 29 THR CB C 29 70.546 71.159 -0.613 1
1 284 . 12 1 1 A 29 29 THR N N 29 113.944 109.465 4.479 1
1 285 . 12 1 1 A 30 30 GLN H H 30 8.210 8.275 -0.065 1
1 286 . 12 1 1 A 30 30 GLN HA H 30 3.863 4.207 -0.344 1
1 293 . 12 1 1 A 30 30 GLN C C 30 174.111 175.455 -1.344 1
1 294 . 12 1 1 A 30 30 GLN CA C 30 56.868 57.200 -0.332 1
1 295 . 12 1 1 A 30 30 GLN CB C 30 27.841 29.252 -1.411 1
1 297 . 12 1 1 A 30 30 GLN N N 30 121.138 124.927 -3.789 1
1 299 . 12 1 1 A 31 31 TYR H H 31 7.532 7.206 0.326 1
1 300 . 12 1 1 A 31 31 TYR HA H 31 4.700 5.106 -0.406 1
1 307 . 12 1 1 A 31 31 TYR C C 31 174.485 174.578 -0.093 1
1 308 . 12 1 1 A 31 31 TYR CA C 31 56.954 56.622 0.332 1
1 309 . 12 1 1 A 31 31 TYR CB C 31 41.374 39.211 2.163 1
1 314 . 12 1 1 A 31 31 TYR N N 31 114.987 117.580 -2.593 1
1 315 . 12 1 1 A 32 32 LEU H H 32 8.382 8.891 -0.509 1
1 316 . 12 1 1 A 32 32 LEU HA H 32 4.486 4.770 -0.284 1
1 326 . 12 1 1 A 32 32 LEU C C 32 176.526 177.124 -0.598 1
1 327 . 12 1 1 A 32 32 LEU CA C 32 53.216 53.818 -0.602 1
1 328 . 12 1 1 A 32 32 LEU CB C 32 44.134 43.304 0.830 1
1 332 . 12 1 1 A 32 32 LEU N N 32 123.429 125.788 -2.359 1
1 333 . 12 1 1 A 33 33 ALA H H 33 8.805 8.473 0.332 1
1 334 . 12 1 1 A 33 33 ALA HA H 33 4.469 4.521 -0.052 1
1 338 . 12 1 1 A 33 33 ALA C C 33 178.230 177.673 0.557 1
1 339 . 12 1 1 A 33 33 ALA CA C 33 51.183 51.844 -0.661 1
1 340 . 12 1 1 A 33 33 ALA CB C 33 19.852 20.029 -0.177 1
1 341 . 12 1 1 A 33 33 ALA N N 33 126.131 124.979 1.152 1
1 342 . 12 1 1 A 34 34 LEU H H 34 8.898 8.701 0.197 1
1 343 . 12 1 1 A 34 34 LEU HA H 34 4.088 4.043 0.045 1
1 353 . 12 1 1 A 34 34 LEU C C 34 178.245 175.471 2.774 1
1 354 . 12 1 1 A 34 34 LEU CA C 34 60.712 59.460 1.252 1
1 355 . 12 1 1 A 34 34 LEU CB C 34 39.135 40.593 -1.458 1
1 359 . 12 1 1 A 34 34 LEU N N 34 122.061 120.582 1.479 1
1 360 . 12 1 1 A 35 35 PRO HA H 35 4.378 4.371 0.007 1
1 367 . 12 1 1 A 35 35 PRO C C 35 179.888 179.007 0.881 1
1 368 . 12 1 1 A 35 35 PRO CA C 35 65.894 65.272 0.622 1
1 369 . 12 1 1 A 35 35 PRO CB C 35 30.618 30.952 -0.334 1
1 372 . 12 1 1 A 36 36 GLU H H 36 6.984 8.428 -1.444 1
1 373 . 12 1 1 A 36 36 GLU HA H 36 4.192 4.031 0.161 1
1 378 . 12 1 1 A 36 36 GLU C C 36 179.230 179.318 -0.088 1
1 379 . 12 1 1 A 36 36 GLU CA C 36 58.631 59.780 -1.149 1
1 380 . 12 1 1 A 36 36 GLU CB C 36 30.290 29.014 1.276 1
1 382 . 12 1 1 A 36 36 GLU N N 36 116.910 118.036 -1.126 1
1 383 . 12 1 1 A 37 37 ARG H H 37 8.489 8.198 0.291 1
1 384 . 12 1 1 A 37 37 ARG HA H 37 3.741 3.863 -0.122 1
1 391 . 12 1 1 A 37 37 ARG C C 37 177.835 177.950 -0.115 1
1 392 . 12 1 1 A 37 37 ARG CA C 37 60.076 59.194 0.882 1
1 393 . 12 1 1 A 37 37 ARG CB C 37 30.775 30.106 0.669 1
1 396 . 12 1 1 A 37 37 ARG N N 37 121.545 120.661 0.884 1
1 397 . 12 1 1 A 38 38 ALA H H 38 8.308 7.795 0.513 1
1 398 . 12 1 1 A 38 38 ALA HA H 38 3.941 4.074 -0.133 1
1 402 . 12 1 1 A 38 38 ALA C C 38 180.311 180.209 0.102 1
1 403 . 12 1 1 A 38 38 ALA CA C 38 55.446 55.046 0.400 1
1 404 . 12 1 1 A 38 38 ALA CB C 38 18.082 18.210 -0.128 1
1 405 . 12 1 1 A 38 38 ALA N N 38 120.571 121.267 -0.696 1
1 406 . 12 1 1 A 39 39 GLU H H 39 7.819 7.805 0.014 1
1 407 . 12 1 1 A 39 39 GLU HA H 39 4.125 3.945 0.180 1
1 412 . 12 1 1 A 39 39 GLU C C 39 178.851 179.622 -0.771 1
1 413 . 12 1 1 A 39 39 GLU CA C 39 59.257 59.467 -0.210 1
1 414 . 12 1 1 A 39 39 GLU CB C 39 29.806 29.266 0.540 1
1 416 . 12 1 1 A 39 39 GLU N N 39 119.614 118.652 0.962 1
1 417 . 12 1 1 A 40 40 LEU H H 40 8.251 7.663 0.588 1
1 418 . 12 1 1 A 40 40 LEU HA H 40 4.149 4.053 0.096 1
1 428 . 12 1 1 A 40 40 LEU C C 40 178.939 178.120 0.819 1
1 429 . 12 1 1 A 40 40 LEU CA C 40 57.625 57.427 0.198 1
1 430 . 12 1 1 A 40 40 LEU CB C 40 42.239 41.213 1.026 1
1 434 . 12 1 1 A 40 40 LEU N N 40 121.912 119.859 2.053 1
1 435 . 12 1 1 A 41 41 ALA H H 41 8.449 7.994 0.455 1
1 436 . 12 1 1 A 41 41 ALA HA H 41 3.629 4.159 -0.530 1
1 440 . 12 1 1 A 41 41 ALA C C 41 179.199 178.323 0.876 1
1 441 . 12 1 1 A 41 41 ALA CA C 41 56.202 53.142 3.060 1
1 442 . 12 1 1 A 41 41 ALA CB C 41 17.819 18.945 -1.126 1
1 443 . 12 1 1 A 41 41 ALA N N 41 120.020 120.213 -0.193 1
1 444 . 12 1 1 A 42 42 ALA H H 42 7.800 7.782 0.018 1
1 445 . 12 1 1 A 42 42 ALA HA H 42 4.240 4.367 -0.127 1
1 449 . 12 1 1 A 42 42 ALA C C 42 181.146 178.981 2.165 1
1 450 . 12 1 1 A 42 42 ALA CA C 42 54.991 53.586 1.405 1
1 451 . 12 1 1 A 42 42 ALA CB C 42 17.983 19.423 -1.440 1
1 452 . 12 1 1 A 42 42 ALA N N 42 118.414 120.253 -1.839 1
1 453 . 12 1 1 A 43 43 SER H H 43 8.172 8.093 0.079 1
1 454 . 12 1 1 A 43 43 SER HA H 43 4.314 4.437 -0.123 1
1 457 . 12 1 1 A 43 43 SER C C 43 175.817 176.898 -1.081 1
1 458 . 12 1 1 A 43 43 SER CA C 43 61.138 61.312 -0.174 1
1 459 . 12 1 1 A 43 43 SER CB C 43 63.341 63.253 0.088 1
1 460 . 12 1 1 A 43 43 SER N N 43 113.508 113.381 0.127 1
1 461 . 12 1 1 A 44 44 LEU H H 44 7.701 7.399 0.302 1
1 462 . 12 1 1 A 44 44 LEU HA H 44 4.662 4.102 0.560 1
1 472 . 12 1 1 A 44 44 LEU C C 44 177.588 177.039 0.549 1
1 473 . 12 1 1 A 44 44 LEU CA C 44 54.556 55.606 -1.050 1
1 474 . 12 1 1 A 44 44 LEU CB C 44 44.134 42.417 1.717 1
1 478 . 12 1 1 A 44 44 LEU N N 44 117.384 118.998 -1.614 1
1 479 . 12 1 1 A 45 45 GLY H H 45 7.971 8.033 -0.062 1
1 480 . 12 1 1 A 45 45 GLY HA2 H 45 4.130 3.970 0.160 1
1 481 . 12 1 1 A 45 45 GLY HA3 H 45 3.991 3.995 -0.004 1
1 482 . 12 1 1 A 45 45 GLY C C 45 174.538 174.294 0.244 1
1 483 . 12 1 1 A 45 45 GLY CA C 45 46.623 45.578 1.045 1
1 484 . 12 1 1 A 45 45 GLY N N 45 110.156 106.253 3.903 1
1 485 . 12 1 1 A 46 46 LEU H H 46 8.012 7.975 0.037 1
1 486 . 12 1 1 A 46 46 LEU HA H 46 4.914 4.799 0.115 1
1 496 . 12 1 1 A 46 46 LEU C C 46 176.613 175.710 0.903 1
1 497 . 12 1 1 A 46 46 LEU CA C 46 52.652 53.407 -0.755 1
1 498 . 12 1 1 A 46 46 LEU CB C 46 46.882 43.107 3.775 1
1 502 . 12 1 1 A 46 46 LEU N N 46 119.755 121.437 -1.682 1
1 503 . 12 1 1 A 47 47 THR H H 47 8.846 8.402 0.444 1
1 504 . 12 1 1 A 47 47 THR HA H 47 4.681 4.827 -0.146 1
1 509 . 12 1 1 A 47 47 THR C C 47 176.869 175.618 1.251 1
1 510 . 12 1 1 A 47 47 THR CA C 47 60.326 59.543 0.783 1
1 511 . 12 1 1 A 47 47 THR CB C 47 70.720 70.670 0.050 1
1 513 . 12 1 1 A 47 47 THR N N 47 109.908 114.072 -4.164 1
1 514 . 12 1 1 A 48 48 GLN H H 48 9.324 9.122 0.202 1
1 515 . 12 1 1 A 48 48 GLN HA H 48 3.708 3.957 -0.249 1
1 522 . 12 1 1 A 48 48 GLN C C 48 178.548 177.904 0.644 1
1 523 . 12 1 1 A 48 48 GLN CA C 48 60.839 59.725 1.114 1
1 524 . 12 1 1 A 48 48 GLN CB C 48 27.998 28.337 -0.339 1
1 526 . 12 1 1 A 48 48 GLN N N 48 120.589 127.584 -6.995 1
1 528 . 12 1 1 A 49 49 THR H H 49 8.172 7.601 0.571 1
1 529 . 12 1 1 A 49 49 THR HA H 49 3.908 3.935 -0.027 1
1 534 . 12 1 1 A 49 49 THR CA C 49 66.920 67.171 -0.251 1
1 535 . 12 1 1 A 49 49 THR CB C 49 68.671 68.850 -0.179 1
1 537 . 12 1 1 A 49 49 THR N N 49 115.925 117.646 -1.721 1
1 538 . 12 1 1 A 50 50 GLN H H 50 8.005 8.188 -0.183 1
1 539 . 12 1 1 A 50 50 GLN HA H 50 4.049 4.316 -0.267 1
1 546 . 12 1 1 A 50 50 GLN C C 50 180.191 178.548 1.643 1
1 547 . 12 1 1 A 50 50 GLN CA C 50 59.633 58.378 1.255 1
1 548 . 12 1 1 A 50 50 GLN CB C 50 28.965 28.891 0.074 1
1 550 . 12 1 1 A 50 50 GLN N N 50 120.680 119.777 0.903 1
1 552 . 12 1 1 A 51 51 VAL H H 51 7.759 8.314 -0.555 1
1 553 . 12 1 1 A 51 51 VAL HA H 51 3.754 3.842 -0.088 1
1 561 . 12 1 1 A 51 51 VAL C C 51 176.534 178.227 -1.693 1
1 562 . 12 1 1 A 51 51 VAL CA C 51 67.618 66.577 1.041 1
1 563 . 12 1 1 A 51 51 VAL CB C 51 32.052 31.515 0.537 1
1 566 . 12 1 1 A 51 51 VAL N N 51 119.814 120.423 -0.609 1
1 567 . 12 1 1 A 52 52 LYS H H 52 8.504 8.395 0.109 1
1 568 . 12 1 1 A 52 52 LYS HA H 52 4.301 4.148 0.153 1
1 577 . 12 1 1 A 52 52 LYS C C 52 179.918 179.721 0.197 1
1 578 . 12 1 1 A 52 52 LYS CA C 52 60.046 59.674 0.372 1
1 579 . 12 1 1 A 52 52 LYS CB C 52 33.392 32.300 1.092 1
1 583 . 12 1 1 A 52 52 LYS N N 52 121.422 118.977 2.445 1
1 584 . 12 1 1 A 53 53 ILE H H 53 8.775 7.518 1.257 1
1 585 . 12 1 1 A 53 53 ILE HA H 53 3.866 3.846 0.020 1
1 595 . 12 1 1 A 53 53 ILE C C 53 177.447 178.493 -1.046 1
1 596 . 12 1 1 A 53 53 ILE CA C 53 64.285 64.900 -0.615 1
1 597 . 12 1 1 A 53 53 ILE CB C 53 38.066 37.458 0.608 1
1 601 . 12 1 1 A 53 53 ILE N N 53 119.411 119.552 -0.141 1
1 602 . 12 1 1 A 54 54 TRP H H 54 8.052 8.240 -0.188 1
1 603 . 12 1 1 A 54 54 TRP HA H 54 4.005 4.149 -0.144 1
1 612 . 12 1 1 A 54 54 TRP C C 54 179.712 177.817 1.895 1
1 613 . 12 1 1 A 54 54 TRP CA C 54 63.406 61.016 2.390 1
1 614 . 12 1 1 A 54 54 TRP CB C 54 28.935 29.498 -0.563 1
1 620 . 12 1 1 A 54 54 TRP N N 54 122.233 122.470 -0.237 1
1 622 . 12 1 1 A 55 55 PHE H H 55 8.720 7.862 0.858 1
1 623 . 12 1 1 A 55 55 PHE HA H 55 3.786 4.620 -0.834 1
1 631 . 12 1 1 A 55 55 PHE C C 55 177.753 178.186 -0.433 1
1 632 . 12 1 1 A 55 55 PHE CA C 55 63.194 61.601 1.593 1
1 633 . 12 1 1 A 55 55 PHE CB C 55 39.739 39.319 0.420 1
1 639 . 12 1 1 A 55 55 PHE N N 55 118.671 116.205 2.466 1
1 640 . 12 1 1 A 56 56 GLN H H 56 8.294 8.575 -0.281 1
1 641 . 12 1 1 A 56 56 GLN HA H 56 3.952 4.121 -0.169 1
1 648 . 12 1 1 A 56 56 GLN C C 56 179.029 178.142 0.887 1
1 649 . 12 1 1 A 56 56 GLN CA C 56 59.414 58.570 0.844 1
1 650 . 12 1 1 A 56 56 GLN CB C 56 28.724 28.704 0.020 1
1 652 . 12 1 1 A 56 56 GLN N N 56 118.357 121.400 -3.043 1
1 654 . 12 1 1 A 57 57 ASN H H 57 8.580 8.397 0.183 1
1 655 . 12 1 1 A 57 57 ASN HA H 57 4.315 4.443 -0.128 1
1 660 . 12 1 1 A 57 57 ASN C C 57 177.717 178.307 -0.590 1
1 661 . 12 1 1 A 57 57 ASN CA C 57 55.541 55.683 -0.142 1
1 662 . 12 1 1 A 57 57 ASN CB C 57 37.796 38.263 -0.467 1
1 663 . 12 1 1 A 57 57 ASN N N 57 118.858 117.220 1.638 1
1 665 . 12 1 1 A 58 58 LYS H H 58 7.761 7.626 0.135 1
1 666 . 12 1 1 A 58 58 LYS HA H 58 3.416 3.701 -0.285 1
1 675 . 12 1 1 A 58 58 LYS C C 58 178.937 179.550 -0.613 1
1 676 . 12 1 1 A 58 58 LYS CA C 58 57.292 59.311 -2.019 1
1 677 . 12 1 1 A 58 58 LYS CB C 58 30.746 31.715 -0.969 1
1 681 . 12 1 1 A 58 58 LYS N N 58 122.418 121.197 1.221 1
1 682 . 12 1 1 A 59 59 ARG H H 59 7.965 7.888 0.077 1
1 683 . 12 1 1 A 59 59 ARG HA H 59 4.078 4.199 -0.121 1
1 690 . 12 1 1 A 59 59 ARG C C 59 178.804 179.010 -0.206 1
1 691 . 12 1 1 A 59 59 ARG CA C 59 60.056 59.787 0.269 1
1 692 . 12 1 1 A 59 59 ARG CB C 59 31.573 30.013 1.560 1
1 695 . 12 1 1 A 59 59 ARG N N 59 116.992 119.692 -2.700 1
1 696 . 12 1 1 A 60 60 SER H H 60 7.733 7.723 0.010 1
1 697 . 12 1 1 A 60 60 SER HA H 60 4.308 4.098 0.210 1
1 700 . 12 1 1 A 60 60 SER C C 60 175.262 177.385 -2.123 1
1 701 . 12 1 1 A 60 60 SER CA C 60 60.550 61.759 -1.209 1
1 702 . 12 1 1 A 60 60 SER CB C 60 63.304 63.017 0.287 1
1 703 . 12 1 1 A 60 60 SER N N 60 113.717 115.154 -1.437 1
1 704 . 12 1 1 A 61 61 LYS H H 61 7.622 7.588 0.034 1
1 705 . 12 1 1 A 61 61 LYS HA H 61 4.218 3.962 0.256 1
1 714 . 12 1 1 A 61 61 LYS C C 61 177.402 179.004 -1.602 1
1 715 . 12 1 1 A 61 61 LYS CA C 61 56.989 59.323 -2.334 1
1 716 . 12 1 1 A 61 61 LYS CB C 61 32.486 32.628 -0.142 1
1 720 . 12 1 1 A 61 61 LYS N N 61 121.107 120.754 0.353 1
1 721 . 12 1 1 A 62 62 ILE H H 62 7.632 7.727 -0.095 1
1 722 . 12 1 1 A 62 62 ILE HA H 62 4.074 3.744 0.330 1
1 732 . 12 1 1 A 62 62 ILE C C 62 176.614 177.048 -0.434 1
1 733 . 12 1 1 A 62 62 ILE CA C 62 61.960 65.374 -3.414 1
1 734 . 12 1 1 A 62 62 ILE CB C 62 38.231 37.765 0.466 1
1 738 . 12 1 1 A 62 62 ILE N N 62 119.268 120.035 -0.767 1
1 739 . 12 1 1 A 63 63 LYS H H 63 8.100 7.551 0.549 1
1 740 . 12 1 1 A 63 63 LYS HA H 63 4.304 4.241 0.063 1
1 747 . 12 1 1 A 63 63 LYS C C 63 176.623 175.904 0.719 1
1 748 . 12 1 1 A 63 63 LYS CA C 63 56.672 56.201 0.471 1
1 749 . 12 1 1 A 63 63 LYS CB C 63 32.898 33.339 -0.441 1
1 753 . 12 1 1 A 63 63 LYS N N 63 124.673 120.002 4.671 1
1 754 . 12 1 1 A 64 64 LYS H H 64 8.272 8.578 -0.306 1
1 755 . 12 1 1 A 64 64 LYS C C 64 176.619 176.464 0.155 1
1 756 . 12 1 1 A 64 64 LYS CA C 64 56.531 55.344 1.187 1
1 757 . 12 1 1 A 64 64 LYS CB C 64 33.017 33.695 -0.678 1
1 758 . 12 1 1 A 64 64 LYS N N 64 122.722 124.053 -1.331 1
1 759 . 12 1 1 A 65 65 SER HA H 65 4.533 4.861 -0.328 1
1 762 . 12 1 1 A 65 65 SER C C 65 174.501 175.502 -1.001 1
1 763 . 12 1 1 A 65 65 SER CA C 65 58.364 56.960 1.404 1
1 764 . 12 1 1 A 65 65 SER CB C 65 64.210 65.522 -1.312 1
1 765 . 12 1 1 A 66 66 GLY H H 66 8.264 8.601 -0.337 1
1 766 . 12 1 1 A 66 66 GLY C C 66 171.884 174.634 -2.750 1
1 767 . 12 1 1 A 66 66 GLY CA C 66 44.719 47.592 -2.873 1
1 768 . 12 1 1 A 66 66 GLY N N 66 110.727 109.172 1.555 1
1 772 . 12 1 1 A 67 67 PRO CA C 67 63.385 62.815 0.570 1
1 773 . 12 1 1 A 67 67 PRO CB C 67 32.419 32.565 -0.146 1
1 1 . 13 1 1 A 8 8 ARG HA H 8 4.360 5.043 -0.683 1
1 8 . 13 1 1 A 8 8 ARG C C 8 176.260 174.952 1.308 1
1 9 . 13 1 1 A 8 8 ARG CA C 8 55.966 54.782 1.184 1
1 10 . 13 1 1 A 8 8 ARG CB C 8 30.838 32.145 -1.307 1
1 13 . 13 1 1 A 9 9 LYS H H 9 8.400 8.640 -0.240 1
1 14 . 13 1 1 A 9 9 LYS C C 9 174.555 176.145 -1.590 1
1 15 . 13 1 1 A 9 9 LYS CA C 9 54.274 54.623 -0.349 1
1 16 . 13 1 1 A 9 9 LYS CB C 9 32.440 35.496 -3.056 1
1 17 . 13 1 1 A 9 9 LYS N N 9 124.470 121.242 3.228 1
1 18 . 13 1 1 A 10 10 PRO HA H 10 4.441 4.457 -0.016 1
1 25 . 13 1 1 A 10 10 PRO C C 10 176.789 176.642 0.147 1
1 26 . 13 1 1 A 10 10 PRO CA C 10 63.088 65.115 -2.027 1
1 27 . 13 1 1 A 10 10 PRO CB C 10 32.156 32.038 0.118 1
1 30 . 13 1 1 A 11 11 ARG H H 11 8.471 7.798 0.673 1
1 31 . 13 1 1 A 11 11 ARG HA H 11 4.370 4.838 -0.468 1
1 36 . 13 1 1 A 11 11 ARG C C 11 176.400 175.013 1.387 1
1 37 . 13 1 1 A 11 11 ARG CA C 11 56.439 54.478 1.961 1
1 38 . 13 1 1 A 11 11 ARG CB C 11 30.710 34.477 -3.767 1
1 40 . 13 1 1 A 11 11 ARG N N 11 121.881 118.121 3.760 1
1 41 . 13 1 1 A 12 12 THR HA H 12 4.270 4.715 -0.445 1
1 46 . 13 1 1 A 12 12 THR C C 12 173.737 174.696 -0.959 1
1 47 . 13 1 1 A 12 12 THR CA C 12 62.101 61.082 1.019 1
1 48 . 13 1 1 A 12 12 THR CB C 12 69.896 73.251 -3.355 1
1 50 . 13 1 1 A 13 13 ILE H H 13 8.215 8.313 -0.098 1
1 51 . 13 1 1 A 13 13 ILE HA H 13 4.063 3.911 0.152 1
1 61 . 13 1 1 A 13 13 ILE C C 13 175.361 175.839 -0.478 1
1 62 . 13 1 1 A 13 13 ILE CA C 13 61.109 63.421 -2.312 1
1 63 . 13 1 1 A 13 13 ILE CB C 13 38.748 38.341 0.407 1
1 67 . 13 1 1 A 13 13 ILE N N 13 124.648 123.493 1.155 1
1 68 . 13 1 1 A 14 14 TYR H H 14 7.928 8.053 -0.125 1
1 69 . 13 1 1 A 14 14 TYR HA H 14 4.923 5.260 -0.337 1
1 76 . 13 1 1 A 14 14 TYR C C 14 176.009 175.661 0.348 1
1 77 . 13 1 1 A 14 14 TYR CA C 14 56.425 56.678 -0.253 1
1 78 . 13 1 1 A 14 14 TYR CB C 14 39.984 42.604 -2.620 1
1 83 . 13 1 1 A 14 14 TYR N N 14 122.287 119.866 2.421 1
1 84 . 13 1 1 A 15 15 SER H H 15 9.368 8.680 0.688 1
1 85 . 13 1 1 A 15 15 SER HA H 15 4.639 4.569 0.070 1
1 88 . 13 1 1 A 15 15 SER C C 15 175.065 176.213 -1.148 1
1 89 . 13 1 1 A 15 15 SER CA C 15 56.918 59.660 -2.742 1
1 90 . 13 1 1 A 15 15 SER CB C 15 65.646 63.579 2.067 1
1 91 . 13 1 1 A 15 15 SER N N 15 119.482 121.836 -2.354 1
1 92 . 13 1 1 A 16 16 SER HA H 16 4.181 4.116 0.065 1
1 95 . 13 1 1 A 16 16 SER CA C 16 62.192 62.347 -0.155 1
1 96 . 13 1 1 A 16 16 SER CB C 16 62.188 62.592 -0.404 1
1 97 . 13 1 1 A 17 17 PHE H H 17 7.815 8.171 -0.356 1
1 98 . 13 1 1 A 17 17 PHE HA H 17 4.313 4.102 0.211 1
1 106 . 13 1 1 A 17 17 PHE C C 17 177.979 177.631 0.348 1
1 107 . 13 1 1 A 17 17 PHE CA C 17 60.981 60.998 -0.017 1
1 108 . 13 1 1 A 17 17 PHE CB C 17 39.519 39.131 0.388 1
1 114 . 13 1 1 A 17 17 PHE N N 17 119.320 123.762 -4.442 1
1 115 . 13 1 1 A 18 18 GLN H H 18 7.816 8.461 -0.645 1
1 116 . 13 1 1 A 18 18 GLN HA H 18 3.720 4.010 -0.290 1
1 123 . 13 1 1 A 18 18 GLN C C 18 177.456 178.574 -1.118 1
1 124 . 13 1 1 A 18 18 GLN CA C 18 58.902 58.880 0.022 1
1 125 . 13 1 1 A 18 18 GLN CB C 18 28.118 28.324 -0.206 1
1 127 . 13 1 1 A 18 18 GLN N N 18 119.339 119.128 0.211 1
1 129 . 13 1 1 A 19 19 LEU H H 19 8.583 8.321 0.262 1
1 130 . 13 1 1 A 19 19 LEU HA H 19 3.570 3.745 -0.175 1
1 140 . 13 1 1 A 19 19 LEU C C 19 178.761 178.689 0.072 1
1 141 . 13 1 1 A 19 19 LEU CA C 19 57.837 57.868 -0.031 1
1 142 . 13 1 1 A 19 19 LEU CB C 19 41.883 42.161 -0.278 1
1 146 . 13 1 1 A 19 19 LEU N N 19 117.368 120.743 -3.375 1
1 147 . 13 1 1 A 20 20 ALA H H 20 7.918 8.633 -0.715 1
1 148 . 13 1 1 A 20 20 ALA HA H 20 4.019 3.940 0.079 1
1 152 . 13 1 1 A 20 20 ALA C C 20 180.256 179.394 0.862 1
1 153 . 13 1 1 A 20 20 ALA CA C 20 54.944 55.409 -0.465 1
1 154 . 13 1 1 A 20 20 ALA CB C 20 17.731 18.509 -0.778 1
1 155 . 13 1 1 A 20 20 ALA N N 20 120.010 120.737 -0.727 1
1 156 . 13 1 1 A 21 21 ALA H H 21 7.313 7.184 0.129 1
1 157 . 13 1 1 A 21 21 ALA HA H 21 3.945 4.144 -0.199 1
1 161 . 13 1 1 A 21 21 ALA C C 21 181.088 179.453 1.635 1
1 162 . 13 1 1 A 21 21 ALA CA C 21 54.749 54.487 0.262 1
1 163 . 13 1 1 A 21 21 ALA CB C 21 19.723 18.849 0.874 1
1 164 . 13 1 1 A 21 21 ALA N N 21 120.493 120.051 0.442 1
1 165 . 13 1 1 A 22 22 LEU H H 22 8.049 7.961 0.088 1
1 166 . 13 1 1 A 22 22 LEU HA H 22 3.507 3.640 -0.133 1
1 176 . 13 1 1 A 22 22 LEU C C 22 177.768 178.845 -1.077 1
1 177 . 13 1 1 A 22 22 LEU CA C 22 58.418 57.854 0.564 1
1 178 . 13 1 1 A 22 22 LEU CB C 22 38.280 40.893 -2.613 1
1 182 . 13 1 1 A 22 22 LEU N N 22 121.618 118.832 2.786 1
1 183 . 13 1 1 A 23 23 GLN H H 23 8.047 8.403 -0.356 1
1 184 . 13 1 1 A 23 23 GLN HA H 23 4.042 4.182 -0.140 1
1 191 . 13 1 1 A 23 23 GLN C C 23 178.945 179.111 -0.166 1
1 192 . 13 1 1 A 23 23 GLN CA C 23 59.172 59.408 -0.236 1
1 193 . 13 1 1 A 23 23 GLN CB C 23 28.225 28.411 -0.186 1
1 195 . 13 1 1 A 23 23 GLN N N 23 117.012 117.334 -0.322 1
1 197 . 13 1 1 A 24 24 ARG H H 24 7.956 8.142 -0.186 1
1 198 . 13 1 1 A 24 24 ARG HA H 24 4.098 4.037 0.061 1
1 205 . 13 1 1 A 24 24 ARG C C 24 179.440 178.394 1.046 1
1 206 . 13 1 1 A 24 24 ARG CA C 24 59.443 59.318 0.125 1
1 207 . 13 1 1 A 24 24 ARG CB C 24 30.290 29.658 0.632 1
1 210 . 13 1 1 A 24 24 ARG N N 24 118.511 120.161 -1.650 1
1 211 . 13 1 1 A 25 25 ARG H H 25 7.768 7.944 -0.176 1
1 212 . 13 1 1 A 25 25 ARG HA H 25 4.380 4.098 0.282 1
1 219 . 13 1 1 A 25 25 ARG C C 25 177.933 178.695 -0.762 1
1 220 . 13 1 1 A 25 25 ARG CA C 25 56.993 59.056 -2.063 1
1 221 . 13 1 1 A 25 25 ARG CB C 25 28.118 30.017 -1.899 1
1 224 . 13 1 1 A 25 25 ARG N N 25 119.018 119.689 -0.671 1
1 225 . 13 1 1 A 26 26 PHE H H 26 8.739 8.335 0.404 1
1 226 . 13 1 1 A 26 26 PHE HA H 26 4.680 4.396 0.284 1
1 234 . 13 1 1 A 26 26 PHE C C 26 175.842 177.393 -1.551 1
1 235 . 13 1 1 A 26 26 PHE CA C 26 60.339 61.484 -1.145 1
1 236 . 13 1 1 A 26 26 PHE CB C 26 39.477 38.949 0.528 1
1 242 . 13 1 1 A 26 26 PHE N N 26 121.838 120.374 1.464 1
1 243 . 13 1 1 A 27 27 GLN H H 27 7.712 8.090 -0.378 1
1 244 . 13 1 1 A 27 27 GLN HA H 27 3.979 3.681 0.298 1
1 251 . 13 1 1 A 27 27 GLN C C 27 177.336 178.679 -1.343 1
1 252 . 13 1 1 A 27 27 GLN CA C 27 57.877 59.180 -1.303 1
1 253 . 13 1 1 A 27 27 GLN CB C 27 28.809 27.929 0.880 1
1 255 . 13 1 1 A 27 27 GLN N N 27 113.533 118.285 -4.752 1
1 257 . 13 1 1 A 28 28 LYS H H 28 7.469 7.485 -0.016 1
1 258 . 13 1 1 A 28 28 LYS HA H 28 4.316 4.113 0.203 1
1 267 . 13 1 1 A 28 28 LYS C C 28 177.011 176.601 0.410 1
1 268 . 13 1 1 A 28 28 LYS CA C 28 57.805 59.057 -1.252 1
1 269 . 13 1 1 A 28 28 LYS CB C 28 33.639 32.484 1.155 1
1 273 . 13 1 1 A 28 28 LYS N N 28 117.851 119.323 -1.472 1
1 274 . 13 1 1 A 29 29 THR H H 29 8.373 7.419 0.954 1
1 275 . 13 1 1 A 29 29 THR HA H 29 4.457 4.505 -0.048 1
1 280 . 13 1 1 A 29 29 THR C C 29 171.650 173.787 -2.137 1
1 281 . 13 1 1 A 29 29 THR CA C 29 59.598 59.983 -0.385 1
1 282 . 13 1 1 A 29 29 THR CB C 29 70.546 70.897 -0.351 1
1 284 . 13 1 1 A 29 29 THR N N 29 113.944 109.615 4.329 1
1 285 . 13 1 1 A 30 30 GLN H H 30 8.210 8.268 -0.058 1
1 286 . 13 1 1 A 30 30 GLN HA H 30 3.863 4.025 -0.162 1
1 293 . 13 1 1 A 30 30 GLN C C 30 174.111 175.620 -1.509 1
1 294 . 13 1 1 A 30 30 GLN CA C 30 56.868 57.823 -0.955 1
1 295 . 13 1 1 A 30 30 GLN CB C 30 27.841 29.275 -1.434 1
1 297 . 13 1 1 A 30 30 GLN N N 30 121.138 124.264 -3.126 1
1 299 . 13 1 1 A 31 31 TYR H H 31 7.532 7.211 0.321 1
1 300 . 13 1 1 A 31 31 TYR HA H 31 4.700 5.279 -0.579 1
1 307 . 13 1 1 A 31 31 TYR C C 31 174.485 174.960 -0.475 1
1 308 . 13 1 1 A 31 31 TYR CA C 31 56.954 57.168 -0.214 1
1 309 . 13 1 1 A 31 31 TYR CB C 31 41.374 41.482 -0.108 1
1 314 . 13 1 1 A 31 31 TYR N N 31 114.987 116.408 -1.421 1
1 315 . 13 1 1 A 32 32 LEU H H 32 8.382 8.967 -0.585 1
1 316 . 13 1 1 A 32 32 LEU HA H 32 4.486 4.923 -0.437 1
1 326 . 13 1 1 A 32 32 LEU C C 32 176.526 176.812 -0.286 1
1 327 . 13 1 1 A 32 32 LEU CA C 32 53.216 53.359 -0.143 1
1 328 . 13 1 1 A 32 32 LEU CB C 32 44.134 44.112 0.022 1
1 332 . 13 1 1 A 32 32 LEU N N 32 123.429 124.109 -0.680 1
1 333 . 13 1 1 A 33 33 ALA H H 33 8.805 8.739 0.066 1
1 334 . 13 1 1 A 33 33 ALA HA H 33 4.469 4.598 -0.129 1
1 338 . 13 1 1 A 33 33 ALA C C 33 178.230 177.670 0.560 1
1 339 . 13 1 1 A 33 33 ALA CA C 33 51.183 51.109 0.074 1
1 340 . 13 1 1 A 33 33 ALA CB C 33 19.852 19.894 -0.042 1
1 341 . 13 1 1 A 33 33 ALA N N 33 126.131 124.414 1.717 1
1 342 . 13 1 1 A 34 34 LEU H H 34 8.898 8.707 0.191 1
1 343 . 13 1 1 A 34 34 LEU HA H 34 4.088 4.090 -0.002 1
1 353 . 13 1 1 A 34 34 LEU C C 34 178.245 175.504 2.741 1
1 354 . 13 1 1 A 34 34 LEU CA C 34 60.712 59.461 1.251 1
1 355 . 13 1 1 A 34 34 LEU CB C 34 39.135 40.706 -1.571 1
1 359 . 13 1 1 A 34 34 LEU N N 34 122.061 120.137 1.924 1
1 360 . 13 1 1 A 35 35 PRO HA H 35 4.378 4.307 0.071 1
1 367 . 13 1 1 A 35 35 PRO C C 35 179.888 178.857 1.031 1
1 368 . 13 1 1 A 35 35 PRO CA C 35 65.894 65.518 0.376 1
1 369 . 13 1 1 A 35 35 PRO CB C 35 30.618 30.579 0.039 1
1 372 . 13 1 1 A 36 36 GLU H H 36 6.984 8.119 -1.135 1
1 373 . 13 1 1 A 36 36 GLU HA H 36 4.192 4.087 0.105 1
1 378 . 13 1 1 A 36 36 GLU C C 36 179.230 178.459 0.771 1
1 379 . 13 1 1 A 36 36 GLU CA C 36 58.631 59.596 -0.965 1
1 380 . 13 1 1 A 36 36 GLU CB C 36 30.290 29.044 1.246 1
1 382 . 13 1 1 A 36 36 GLU N N 36 116.910 118.079 -1.169 1
1 383 . 13 1 1 A 37 37 ARG H H 37 8.489 7.753 0.736 1
1 384 . 13 1 1 A 37 37 ARG HA H 37 3.741 3.856 -0.115 1
1 391 . 13 1 1 A 37 37 ARG C C 37 177.835 178.277 -0.442 1
1 392 . 13 1 1 A 37 37 ARG CA C 37 60.076 59.568 0.508 1
1 393 . 13 1 1 A 37 37 ARG CB C 37 30.775 29.990 0.785 1
1 396 . 13 1 1 A 37 37 ARG N N 37 121.545 119.396 2.149 1
1 397 . 13 1 1 A 38 38 ALA H H 38 8.308 7.593 0.715 1
1 398 . 13 1 1 A 38 38 ALA HA H 38 3.941 4.024 -0.083 1
1 402 . 13 1 1 A 38 38 ALA C C 38 180.311 179.542 0.769 1
1 403 . 13 1 1 A 38 38 ALA CA C 38 55.446 54.983 0.463 1
1 404 . 13 1 1 A 38 38 ALA CB C 38 18.082 18.417 -0.335 1
1 405 . 13 1 1 A 38 38 ALA N N 38 120.571 120.412 0.159 1
1 406 . 13 1 1 A 39 39 GLU H H 39 7.819 7.967 -0.148 1
1 407 . 13 1 1 A 39 39 GLU HA H 39 4.125 4.086 0.039 1
1 412 . 13 1 1 A 39 39 GLU C C 39 178.851 179.167 -0.316 1
1 413 . 13 1 1 A 39 39 GLU CA C 39 59.257 59.318 -0.061 1
1 414 . 13 1 1 A 39 39 GLU CB C 39 29.806 29.274 0.532 1
1 416 . 13 1 1 A 39 39 GLU N N 39 119.614 118.779 0.835 1
1 417 . 13 1 1 A 40 40 LEU H H 40 8.251 8.152 0.099 1
1 418 . 13 1 1 A 40 40 LEU HA H 40 4.149 4.187 -0.038 1
1 428 . 13 1 1 A 40 40 LEU C C 40 178.939 179.313 -0.374 1
1 429 . 13 1 1 A 40 40 LEU CA C 40 57.625 57.463 0.162 1
1 430 . 13 1 1 A 40 40 LEU CB C 40 42.239 40.881 1.358 1
1 434 . 13 1 1 A 40 40 LEU N N 40 121.912 119.894 2.018 1
1 435 . 13 1 1 A 41 41 ALA H H 41 8.449 7.522 0.927 1
1 436 . 13 1 1 A 41 41 ALA HA H 41 3.629 4.136 -0.507 1
1 440 . 13 1 1 A 41 41 ALA C C 41 179.199 180.042 -0.843 1
1 441 . 13 1 1 A 41 41 ALA CA C 41 56.202 55.039 1.163 1
1 442 . 13 1 1 A 41 41 ALA CB C 41 17.819 18.248 -0.429 1
1 443 . 13 1 1 A 41 41 ALA N N 41 120.020 122.274 -2.254 1
1 444 . 13 1 1 A 42 42 ALA H H 42 7.800 8.364 -0.564 1
1 445 . 13 1 1 A 42 42 ALA HA H 42 4.240 4.197 0.043 1
1 449 . 13 1 1 A 42 42 ALA C C 42 181.146 179.004 2.142 1
1 450 . 13 1 1 A 42 42 ALA CA C 42 54.991 55.112 -0.121 1
1 451 . 13 1 1 A 42 42 ALA CB C 42 17.983 18.568 -0.585 1
1 452 . 13 1 1 A 42 42 ALA N N 42 118.414 120.499 -2.085 1
1 453 . 13 1 1 A 43 43 SER H H 43 8.172 8.191 -0.019 1
1 454 . 13 1 1 A 43 43 SER HA H 43 4.314 4.258 0.056 1
1 457 . 13 1 1 A 43 43 SER C C 43 175.817 177.595 -1.778 1
1 458 . 13 1 1 A 43 43 SER CA C 43 61.138 61.472 -0.334 1
1 459 . 13 1 1 A 43 43 SER CB C 43 63.341 63.286 0.055 1
1 460 . 13 1 1 A 43 43 SER N N 43 113.508 113.847 -0.339 1
1 461 . 13 1 1 A 44 44 LEU H H 44 7.701 7.658 0.043 1
1 462 . 13 1 1 A 44 44 LEU HA H 44 4.662 4.465 0.197 1
1 472 . 13 1 1 A 44 44 LEU C C 44 177.588 176.988 0.600 1
1 473 . 13 1 1 A 44 44 LEU CA C 44 54.556 55.569 -1.013 1
1 474 . 13 1 1 A 44 44 LEU CB C 44 44.134 42.596 1.538 1
1 478 . 13 1 1 A 44 44 LEU N N 44 117.384 119.377 -1.993 1
1 479 . 13 1 1 A 45 45 GLY H H 45 7.971 8.297 -0.326 1
1 480 . 13 1 1 A 45 45 GLY HA2 H 45 4.130 3.914 0.216 1
1 481 . 13 1 1 A 45 45 GLY HA3 H 45 3.991 3.921 0.070 1
1 482 . 13 1 1 A 45 45 GLY C C 45 174.538 174.263 0.275 1
1 483 . 13 1 1 A 45 45 GLY CA C 45 46.623 45.970 0.653 1
1 484 . 13 1 1 A 45 45 GLY N N 45 110.156 107.145 3.011 1
1 485 . 13 1 1 A 46 46 LEU H H 46 8.012 7.827 0.185 1
1 486 . 13 1 1 A 46 46 LEU HA H 46 4.914 4.846 0.068 1
1 496 . 13 1 1 A 46 46 LEU C C 46 176.613 175.500 1.113 1
1 497 . 13 1 1 A 46 46 LEU CA C 46 52.652 53.273 -0.621 1
1 498 . 13 1 1 A 46 46 LEU CB C 46 46.882 43.576 3.306 1
1 502 . 13 1 1 A 46 46 LEU N N 46 119.755 120.814 -1.059 1
1 503 . 13 1 1 A 47 47 THR H H 47 8.846 8.428 0.418 1
1 504 . 13 1 1 A 47 47 THR HA H 47 4.681 4.864 -0.183 1
1 509 . 13 1 1 A 47 47 THR C C 47 176.869 175.596 1.273 1
1 510 . 13 1 1 A 47 47 THR CA C 47 60.326 59.403 0.923 1
1 511 . 13 1 1 A 47 47 THR CB C 47 70.720 70.684 0.036 1
1 513 . 13 1 1 A 47 47 THR N N 47 109.908 113.895 -3.987 1
1 514 . 13 1 1 A 48 48 GLN H H 48 9.324 9.168 0.156 1
1 515 . 13 1 1 A 48 48 GLN HA H 48 3.708 3.950 -0.242 1
1 522 . 13 1 1 A 48 48 GLN C C 48 178.548 177.762 0.786 1
1 523 . 13 1 1 A 48 48 GLN CA C 48 60.839 59.799 1.040 1
1 524 . 13 1 1 A 48 48 GLN CB C 48 27.998 28.258 -0.260 1
1 526 . 13 1 1 A 48 48 GLN N N 48 120.589 127.474 -6.885 1
1 528 . 13 1 1 A 49 49 THR H H 49 8.172 7.679 0.493 1
1 529 . 13 1 1 A 49 49 THR HA H 49 3.908 4.013 -0.105 1
1 534 . 13 1 1 A 49 49 THR CA C 49 66.920 66.493 0.427 1
1 535 . 13 1 1 A 49 49 THR CB C 49 68.671 68.458 0.213 1
1 537 . 13 1 1 A 49 49 THR N N 49 115.925 117.934 -2.009 1
1 538 . 13 1 1 A 50 50 GLN H H 50 8.005 8.275 -0.270 1
1 539 . 13 1 1 A 50 50 GLN HA H 50 4.049 4.332 -0.283 1
1 546 . 13 1 1 A 50 50 GLN C C 50 180.191 178.081 2.110 1
1 547 . 13 1 1 A 50 50 GLN CA C 50 59.633 58.419 1.214 1
1 548 . 13 1 1 A 50 50 GLN CB C 50 28.965 29.403 -0.438 1
1 550 . 13 1 1 A 50 50 GLN N N 50 120.680 120.399 0.281 1
1 552 . 13 1 1 A 51 51 VAL H H 51 7.759 8.297 -0.538 1
1 553 . 13 1 1 A 51 51 VAL HA H 51 3.754 3.832 -0.078 1
1 561 . 13 1 1 A 51 51 VAL C C 51 176.534 178.586 -2.052 1
1 562 . 13 1 1 A 51 51 VAL CA C 51 67.618 66.696 0.922 1
1 563 . 13 1 1 A 51 51 VAL CB C 51 32.052 31.715 0.337 1
1 566 . 13 1 1 A 51 51 VAL N N 51 119.814 120.754 -0.940 1
1 567 . 13 1 1 A 52 52 LYS H H 52 8.504 8.185 0.319 1
1 568 . 13 1 1 A 52 52 LYS HA H 52 4.301 4.136 0.165 1
1 577 . 13 1 1 A 52 52 LYS C C 52 179.918 179.726 0.192 1
1 578 . 13 1 1 A 52 52 LYS CA C 52 60.046 59.480 0.566 1
1 579 . 13 1 1 A 52 52 LYS CB C 52 33.392 32.432 0.960 1
1 583 . 13 1 1 A 52 52 LYS N N 52 121.422 119.531 1.891 1
1 584 . 13 1 1 A 53 53 ILE H H 53 8.775 7.757 1.018 1
1 585 . 13 1 1 A 53 53 ILE HA H 53 3.866 3.829 0.037 1
1 595 . 13 1 1 A 53 53 ILE C C 53 177.447 178.661 -1.214 1
1 596 . 13 1 1 A 53 53 ILE CA C 53 64.285 64.955 -0.670 1
1 597 . 13 1 1 A 53 53 ILE CB C 53 38.066 37.527 0.539 1
1 601 . 13 1 1 A 53 53 ILE N N 53 119.411 120.044 -0.633 1
1 602 . 13 1 1 A 54 54 TRP H H 54 8.052 8.285 -0.233 1
1 603 . 13 1 1 A 54 54 TRP HA H 54 4.005 4.256 -0.251 1
1 612 . 13 1 1 A 54 54 TRP C C 54 179.712 177.965 1.747 1
1 613 . 13 1 1 A 54 54 TRP CA C 54 63.406 61.462 1.944 1
1 614 . 13 1 1 A 54 54 TRP CB C 54 28.935 30.155 -1.220 1
1 620 . 13 1 1 A 54 54 TRP N N 54 122.233 122.575 -0.342 1
1 622 . 13 1 1 A 55 55 PHE H H 55 8.720 8.470 0.250 1
1 623 . 13 1 1 A 55 55 PHE HA H 55 3.786 4.216 -0.430 1
1 631 . 13 1 1 A 55 55 PHE C C 55 177.753 178.058 -0.305 1
1 632 . 13 1 1 A 55 55 PHE CA C 55 63.194 62.067 1.127 1
1 633 . 13 1 1 A 55 55 PHE CB C 55 39.739 38.468 1.271 1
1 639 . 13 1 1 A 55 55 PHE N N 55 118.671 117.838 0.833 1
1 640 . 13 1 1 A 56 56 GLN H H 56 8.294 8.302 -0.008 1
1 641 . 13 1 1 A 56 56 GLN HA H 56 3.952 4.052 -0.100 1
1 648 . 13 1 1 A 56 56 GLN C C 56 179.029 178.321 0.708 1
1 649 . 13 1 1 A 56 56 GLN CA C 56 59.414 58.854 0.560 1
1 650 . 13 1 1 A 56 56 GLN CB C 56 28.724 28.739 -0.015 1
1 652 . 13 1 1 A 56 56 GLN N N 56 118.357 120.696 -2.339 1
1 654 . 13 1 1 A 57 57 ASN H H 57 8.580 7.890 0.690 1
1 655 . 13 1 1 A 57 57 ASN HA H 57 4.315 4.389 -0.074 1
1 660 . 13 1 1 A 57 57 ASN C C 57 177.717 177.497 0.220 1
1 661 . 13 1 1 A 57 57 ASN CA C 57 55.541 55.891 -0.350 1
1 662 . 13 1 1 A 57 57 ASN CB C 57 37.796 38.042 -0.246 1
1 663 . 13 1 1 A 57 57 ASN N N 57 118.858 117.654 1.204 1
1 665 . 13 1 1 A 58 58 LYS H H 58 7.761 7.368 0.393 1
1 666 . 13 1 1 A 58 58 LYS HA H 58 3.416 3.449 -0.033 1
1 675 . 13 1 1 A 58 58 LYS C C 58 178.937 178.391 0.546 1
1 676 . 13 1 1 A 58 58 LYS CA C 58 57.292 59.387 -2.095 1
1 677 . 13 1 1 A 58 58 LYS CB C 58 30.746 31.427 -0.681 1
1 681 . 13 1 1 A 58 58 LYS N N 58 122.418 119.504 2.914 1
1 682 . 13 1 1 A 59 59 ARG H H 59 7.965 7.619 0.346 1
1 683 . 13 1 1 A 59 59 ARG HA H 59 4.078 4.124 -0.046 1
1 690 . 13 1 1 A 59 59 ARG C C 59 178.804 178.535 0.269 1
1 691 . 13 1 1 A 59 59 ARG CA C 59 60.056 59.776 0.280 1
1 692 . 13 1 1 A 59 59 ARG CB C 59 31.573 29.859 1.714 1
1 695 . 13 1 1 A 59 59 ARG N N 59 116.992 118.165 -1.173 1
1 696 . 13 1 1 A 60 60 SER H H 60 7.733 8.206 -0.473 1
1 697 . 13 1 1 A 60 60 SER HA H 60 4.308 4.275 0.033 1
1 700 . 13 1 1 A 60 60 SER C C 60 175.262 175.046 0.216 1
1 701 . 13 1 1 A 60 60 SER CA C 60 60.550 60.827 -0.277 1
1 702 . 13 1 1 A 60 60 SER CB C 60 63.304 63.247 0.057 1
1 703 . 13 1 1 A 60 60 SER N N 60 113.717 114.735 -1.018 1
1 704 . 13 1 1 A 61 61 LYS H H 61 7.622 7.956 -0.334 1
1 705 . 13 1 1 A 61 61 LYS HA H 61 4.218 4.513 -0.295 1
1 714 . 13 1 1 A 61 61 LYS C C 61 177.402 176.968 0.434 1
1 715 . 13 1 1 A 61 61 LYS CA C 61 56.989 54.805 2.184 1
1 716 . 13 1 1 A 61 61 LYS CB C 61 32.486 33.159 -0.673 1
1 720 . 13 1 1 A 61 61 LYS N N 61 121.107 119.709 1.398 1
1 721 . 13 1 1 A 62 62 ILE H H 62 7.632 7.863 -0.231 1
1 722 . 13 1 1 A 62 62 ILE HA H 62 4.074 3.622 0.452 1
1 732 . 13 1 1 A 62 62 ILE C C 62 176.614 177.429 -0.815 1
1 733 . 13 1 1 A 62 62 ILE CA C 62 61.960 65.362 -3.402 1
1 734 . 13 1 1 A 62 62 ILE CB C 62 38.231 38.253 -0.022 1
1 738 . 13 1 1 A 62 62 ILE N N 62 119.268 124.784 -5.516 1
1 739 . 13 1 1 A 63 63 LYS H H 63 8.100 7.780 0.320 1
1 740 . 13 1 1 A 63 63 LYS HA H 63 4.304 4.366 -0.062 1
1 747 . 13 1 1 A 63 63 LYS C C 63 176.623 175.714 0.909 1
1 748 . 13 1 1 A 63 63 LYS CA C 63 56.672 55.645 1.027 1
1 749 . 13 1 1 A 63 63 LYS CB C 63 32.898 31.698 1.200 1
1 753 . 13 1 1 A 63 63 LYS N N 63 124.673 120.472 4.201 1
1 754 . 13 1 1 A 64 64 LYS H H 64 8.272 7.963 0.309 1
1 755 . 13 1 1 A 64 64 LYS C C 64 176.619 176.034 0.585 1
1 756 . 13 1 1 A 64 64 LYS CA C 64 56.531 56.653 -0.122 1
1 757 . 13 1 1 A 64 64 LYS CB C 64 33.017 32.540 0.477 1
1 758 . 13 1 1 A 64 64 LYS N N 64 122.722 124.275 -1.553 1
1 759 . 13 1 1 A 65 65 SER HA H 65 4.533 4.788 -0.255 1
1 762 . 13 1 1 A 65 65 SER C C 65 174.501 174.465 0.036 1
1 763 . 13 1 1 A 65 65 SER CA C 65 58.364 58.148 0.216 1
1 764 . 13 1 1 A 65 65 SER CB C 65 64.210 63.108 1.102 1
1 765 . 13 1 1 A 66 66 GLY H H 66 8.264 8.695 -0.431 1
1 766 . 13 1 1 A 66 66 GLY C C 66 171.884 171.774 0.110 1
1 767 . 13 1 1 A 66 66 GLY CA C 66 44.719 45.663 -0.944 1
1 768 . 13 1 1 A 66 66 GLY N N 66 110.727 113.709 -2.982 1
1 772 . 13 1 1 A 67 67 PRO CA C 67 63.385 62.862 0.523 1
1 773 . 13 1 1 A 67 67 PRO CB C 67 32.419 31.807 0.612 1
1 1 . 14 1 1 A 8 8 ARG HA H 8 4.360 3.936 0.424 1
1 8 . 14 1 1 A 8 8 ARG C C 8 176.260 176.386 -0.126 1
1 9 . 14 1 1 A 8 8 ARG CA C 8 55.966 59.249 -3.283 1
1 10 . 14 1 1 A 8 8 ARG CB C 8 30.838 30.273 0.565 1
1 13 . 14 1 1 A 9 9 LYS H H 9 8.400 7.892 0.508 1
1 14 . 14 1 1 A 9 9 LYS C C 9 174.555 177.332 -2.777 1
1 15 . 14 1 1 A 9 9 LYS CA C 9 54.274 57.093 -2.819 1
1 16 . 14 1 1 A 9 9 LYS CB C 9 32.440 30.867 1.573 1
1 17 . 14 1 1 A 9 9 LYS N N 9 124.470 118.791 5.679 1
1 18 . 14 1 1 A 10 10 PRO HA H 10 4.441 4.275 0.166 1
1 25 . 14 1 1 A 10 10 PRO C C 10 176.789 177.915 -1.126 1
1 26 . 14 1 1 A 10 10 PRO CA C 10 63.088 65.876 -2.788 1
1 27 . 14 1 1 A 10 10 PRO CB C 10 32.156 31.341 0.815 1
1 30 . 14 1 1 A 11 11 ARG H H 11 8.471 8.401 0.070 1
1 31 . 14 1 1 A 11 11 ARG HA H 11 4.370 4.459 -0.089 1
1 36 . 14 1 1 A 11 11 ARG C C 11 176.400 176.094 0.306 1
1 37 . 14 1 1 A 11 11 ARG CA C 11 56.439 56.842 -0.403 1
1 38 . 14 1 1 A 11 11 ARG CB C 11 30.710 32.805 -2.095 1
1 40 . 14 1 1 A 11 11 ARG N N 11 121.881 115.601 6.280 1
1 41 . 14 1 1 A 12 12 THR HA H 12 4.270 4.857 -0.587 1
1 46 . 14 1 1 A 12 12 THR C C 12 173.737 174.463 -0.726 1
1 47 . 14 1 1 A 12 12 THR CA C 12 62.101 61.108 0.993 1
1 48 . 14 1 1 A 12 12 THR CB C 12 69.896 73.161 -3.265 1
1 50 . 14 1 1 A 13 13 ILE H H 13 8.215 8.420 -0.205 1
1 51 . 14 1 1 A 13 13 ILE HA H 13 4.063 3.857 0.206 1
1 61 . 14 1 1 A 13 13 ILE C C 13 175.361 175.802 -0.441 1
1 62 . 14 1 1 A 13 13 ILE CA C 13 61.109 63.913 -2.804 1
1 63 . 14 1 1 A 13 13 ILE CB C 13 38.748 38.182 0.566 1
1 67 . 14 1 1 A 13 13 ILE N N 13 124.648 123.761 0.887 1
1 68 . 14 1 1 A 14 14 TYR H H 14 7.928 7.805 0.123 1
1 69 . 14 1 1 A 14 14 TYR HA H 14 4.923 5.246 -0.323 1
1 76 . 14 1 1 A 14 14 TYR C C 14 176.009 175.075 0.934 1
1 77 . 14 1 1 A 14 14 TYR CA C 14 56.425 56.884 -0.459 1
1 78 . 14 1 1 A 14 14 TYR CB C 14 39.984 42.446 -2.462 1
1 83 . 14 1 1 A 14 14 TYR N N 14 122.287 119.720 2.567 1
1 84 . 14 1 1 A 15 15 SER H H 15 9.368 8.654 0.714 1
1 85 . 14 1 1 A 15 15 SER HA H 15 4.639 4.596 0.043 1
1 88 . 14 1 1 A 15 15 SER C C 15 175.065 175.688 -0.623 1
1 89 . 14 1 1 A 15 15 SER CA C 15 56.918 58.607 -1.689 1
1 90 . 14 1 1 A 15 15 SER CB C 15 65.646 63.630 2.016 1
1 91 . 14 1 1 A 15 15 SER N N 15 119.482 118.776 0.706 1
1 92 . 14 1 1 A 16 16 SER HA H 16 4.181 4.100 0.081 1
1 95 . 14 1 1 A 16 16 SER CA C 16 62.192 62.158 0.034 1
1 96 . 14 1 1 A 16 16 SER CB C 16 62.188 62.588 -0.400 1
1 97 . 14 1 1 A 17 17 PHE H H 17 7.815 8.245 -0.430 1
1 98 . 14 1 1 A 17 17 PHE HA H 17 4.313 4.079 0.234 1
1 106 . 14 1 1 A 17 17 PHE C C 17 177.979 177.581 0.398 1
1 107 . 14 1 1 A 17 17 PHE CA C 17 60.981 61.607 -0.626 1
1 108 . 14 1 1 A 17 17 PHE CB C 17 39.519 39.084 0.435 1
1 114 . 14 1 1 A 17 17 PHE N N 17 119.320 123.056 -3.736 1
1 115 . 14 1 1 A 18 18 GLN H H 18 7.816 8.099 -0.283 1
1 116 . 14 1 1 A 18 18 GLN HA H 18 3.720 3.306 0.414 1
1 123 . 14 1 1 A 18 18 GLN C C 18 177.456 178.673 -1.217 1
1 124 . 14 1 1 A 18 18 GLN CA C 18 58.902 58.572 0.330 1
1 125 . 14 1 1 A 18 18 GLN CB C 18 28.118 28.184 -0.066 1
1 127 . 14 1 1 A 18 18 GLN N N 18 119.339 117.975 1.364 1
1 129 . 14 1 1 A 19 19 LEU H H 19 8.583 8.453 0.130 1
1 130 . 14 1 1 A 19 19 LEU HA H 19 3.570 3.654 -0.084 1
1 140 . 14 1 1 A 19 19 LEU C C 19 178.761 178.741 0.020 1
1 141 . 14 1 1 A 19 19 LEU CA C 19 57.837 57.802 0.035 1
1 142 . 14 1 1 A 19 19 LEU CB C 19 41.883 42.194 -0.311 1
1 146 . 14 1 1 A 19 19 LEU N N 19 117.368 120.319 -2.951 1
1 147 . 14 1 1 A 20 20 ALA H H 20 7.918 8.731 -0.813 1
1 148 . 14 1 1 A 20 20 ALA HA H 20 4.019 4.008 0.011 1
1 152 . 14 1 1 A 20 20 ALA C C 20 180.256 179.826 0.430 1
1 153 . 14 1 1 A 20 20 ALA CA C 20 54.944 55.650 -0.706 1
1 154 . 14 1 1 A 20 20 ALA CB C 20 17.731 18.673 -0.942 1
1 155 . 14 1 1 A 20 20 ALA N N 20 120.010 120.881 -0.871 1
1 156 . 14 1 1 A 21 21 ALA H H 21 7.313 7.396 -0.083 1
1 157 . 14 1 1 A 21 21 ALA HA H 21 3.945 4.081 -0.136 1
1 161 . 14 1 1 A 21 21 ALA C C 21 181.088 179.433 1.655 1
1 162 . 14 1 1 A 21 21 ALA CA C 21 54.749 54.869 -0.120 1
1 163 . 14 1 1 A 21 21 ALA CB C 21 19.723 18.226 1.497 1
1 164 . 14 1 1 A 21 21 ALA N N 21 120.493 120.370 0.123 1
1 165 . 14 1 1 A 22 22 LEU H H 22 8.049 7.989 0.060 1
1 166 . 14 1 1 A 22 22 LEU HA H 22 3.507 3.616 -0.109 1
1 176 . 14 1 1 A 22 22 LEU C C 22 177.768 178.637 -0.869 1
1 177 . 14 1 1 A 22 22 LEU CA C 22 58.418 57.680 0.738 1
1 178 . 14 1 1 A 22 22 LEU CB C 22 38.280 40.800 -2.520 1
1 182 . 14 1 1 A 22 22 LEU N N 22 121.618 118.646 2.972 1
1 183 . 14 1 1 A 23 23 GLN H H 23 8.047 8.421 -0.374 1
1 184 . 14 1 1 A 23 23 GLN HA H 23 4.042 4.149 -0.107 1
1 191 . 14 1 1 A 23 23 GLN C C 23 178.945 179.258 -0.313 1
1 192 . 14 1 1 A 23 23 GLN CA C 23 59.172 59.402 -0.230 1
1 193 . 14 1 1 A 23 23 GLN CB C 23 28.225 28.029 0.196 1
1 195 . 14 1 1 A 23 23 GLN N N 23 117.012 116.941 0.071 1
1 197 . 14 1 1 A 24 24 ARG H H 24 7.956 8.028 -0.072 1
1 198 . 14 1 1 A 24 24 ARG HA H 24 4.098 4.028 0.070 1
1 205 . 14 1 1 A 24 24 ARG C C 24 179.440 178.374 1.066 1
1 206 . 14 1 1 A 24 24 ARG CA C 24 59.443 59.798 -0.355 1
1 207 . 14 1 1 A 24 24 ARG CB C 24 30.290 30.027 0.263 1
1 210 . 14 1 1 A 24 24 ARG N N 24 118.511 119.798 -1.287 1
1 211 . 14 1 1 A 25 25 ARG H H 25 7.768 7.816 -0.048 1
1 212 . 14 1 1 A 25 25 ARG HA H 25 4.380 4.139 0.241 1
1 219 . 14 1 1 A 25 25 ARG C C 25 177.933 178.268 -0.335 1
1 220 . 14 1 1 A 25 25 ARG CA C 25 56.993 59.074 -2.081 1
1 221 . 14 1 1 A 25 25 ARG CB C 25 28.118 30.244 -2.126 1
1 224 . 14 1 1 A 25 25 ARG N N 25 119.018 120.011 -0.993 1
1 225 . 14 1 1 A 26 26 PHE H H 26 8.739 8.567 0.172 1
1 226 . 14 1 1 A 26 26 PHE HA H 26 4.680 4.248 0.432 1
1 234 . 14 1 1 A 26 26 PHE C C 26 175.842 177.339 -1.497 1
1 235 . 14 1 1 A 26 26 PHE CA C 26 60.339 61.964 -1.625 1
1 236 . 14 1 1 A 26 26 PHE CB C 26 39.477 38.924 0.553 1
1 242 . 14 1 1 A 26 26 PHE N N 26 121.838 120.744 1.094 1
1 243 . 14 1 1 A 27 27 GLN H H 27 7.712 8.332 -0.620 1
1 244 . 14 1 1 A 27 27 GLN HA H 27 3.979 4.107 -0.128 1
1 251 . 14 1 1 A 27 27 GLN C C 27 177.336 178.226 -0.890 1
1 252 . 14 1 1 A 27 27 GLN CA C 27 57.877 58.492 -0.615 1
1 253 . 14 1 1 A 27 27 GLN CB C 27 28.809 28.660 0.149 1
1 255 . 14 1 1 A 27 27 GLN N N 27 113.533 117.682 -4.149 1
1 257 . 14 1 1 A 28 28 LYS H H 28 7.469 7.855 -0.386 1
1 258 . 14 1 1 A 28 28 LYS HA H 28 4.316 4.166 0.150 1
1 267 . 14 1 1 A 28 28 LYS C C 28 177.011 175.988 1.023 1
1 268 . 14 1 1 A 28 28 LYS CA C 28 57.805 58.473 -0.668 1
1 269 . 14 1 1 A 28 28 LYS CB C 28 33.639 33.963 -0.324 1
1 273 . 14 1 1 A 28 28 LYS N N 28 117.851 119.377 -1.526 1
1 274 . 14 1 1 A 29 29 THR H H 29 8.373 7.678 0.695 1
1 275 . 14 1 1 A 29 29 THR HA H 29 4.457 4.521 -0.064 1
1 280 . 14 1 1 A 29 29 THR C C 29 171.650 172.913 -1.263 1
1 281 . 14 1 1 A 29 29 THR CA C 29 59.598 60.514 -0.916 1
1 282 . 14 1 1 A 29 29 THR CB C 29 70.546 70.223 0.323 1
1 284 . 14 1 1 A 29 29 THR N N 29 113.944 111.275 2.669 1
1 285 . 14 1 1 A 30 30 GLN H H 30 8.210 8.671 -0.461 1
1 286 . 14 1 1 A 30 30 GLN HA H 30 3.863 4.422 -0.559 1
1 293 . 14 1 1 A 30 30 GLN C C 30 174.111 175.550 -1.439 1
1 294 . 14 1 1 A 30 30 GLN CA C 30 56.868 57.039 -0.171 1
1 295 . 14 1 1 A 30 30 GLN CB C 30 27.841 30.323 -2.482 1
1 297 . 14 1 1 A 30 30 GLN N N 30 121.138 123.283 -2.145 1
1 299 . 14 1 1 A 31 31 TYR H H 31 7.532 7.669 -0.137 1
1 300 . 14 1 1 A 31 31 TYR HA H 31 4.700 4.813 -0.113 1
1 307 . 14 1 1 A 31 31 TYR C C 31 174.485 175.035 -0.550 1
1 308 . 14 1 1 A 31 31 TYR CA C 31 56.954 56.667 0.287 1
1 309 . 14 1 1 A 31 31 TYR CB C 31 41.374 37.723 3.651 1
1 314 . 14 1 1 A 31 31 TYR N N 31 114.987 117.939 -2.952 1
1 315 . 14 1 1 A 32 32 LEU H H 32 8.382 8.416 -0.034 1
1 316 . 14 1 1 A 32 32 LEU HA H 32 4.486 4.322 0.164 1
1 326 . 14 1 1 A 32 32 LEU C C 32 176.526 177.593 -1.067 1
1 327 . 14 1 1 A 32 32 LEU CA C 32 53.216 54.490 -1.274 1
1 328 . 14 1 1 A 32 32 LEU CB C 32 44.134 42.191 1.943 1
1 332 . 14 1 1 A 32 32 LEU N N 32 123.429 125.654 -2.225 1
1 333 . 14 1 1 A 33 33 ALA H H 33 8.805 8.849 -0.044 1
1 334 . 14 1 1 A 33 33 ALA HA H 33 4.469 4.492 -0.023 1
1 338 . 14 1 1 A 33 33 ALA C C 33 178.230 177.612 0.618 1
1 339 . 14 1 1 A 33 33 ALA CA C 33 51.183 51.922 -0.739 1
1 340 . 14 1 1 A 33 33 ALA CB C 33 19.852 19.967 -0.115 1
1 341 . 14 1 1 A 33 33 ALA N N 33 126.131 124.900 1.231 1
1 342 . 14 1 1 A 34 34 LEU H H 34 8.898 8.735 0.163 1
1 343 . 14 1 1 A 34 34 LEU HA H 34 4.088 4.052 0.036 1
1 353 . 14 1 1 A 34 34 LEU C C 34 178.245 175.474 2.771 1
1 354 . 14 1 1 A 34 34 LEU CA C 34 60.712 59.547 1.165 1
1 355 . 14 1 1 A 34 34 LEU CB C 34 39.135 40.715 -1.580 1
1 359 . 14 1 1 A 34 34 LEU N N 34 122.061 120.575 1.486 1
1 360 . 14 1 1 A 35 35 PRO HA H 35 4.378 4.369 0.009 1
1 367 . 14 1 1 A 35 35 PRO C C 35 179.888 178.883 1.005 1
1 368 . 14 1 1 A 35 35 PRO CA C 35 65.894 65.222 0.672 1
1 369 . 14 1 1 A 35 35 PRO CB C 35 30.618 31.358 -0.740 1
1 372 . 14 1 1 A 36 36 GLU H H 36 6.984 8.444 -1.460 1
1 373 . 14 1 1 A 36 36 GLU HA H 36 4.192 4.054 0.138 1
1 378 . 14 1 1 A 36 36 GLU C C 36 179.230 179.041 0.189 1
1 379 . 14 1 1 A 36 36 GLU CA C 36 58.631 59.809 -1.178 1
1 380 . 14 1 1 A 36 36 GLU CB C 36 30.290 29.198 1.092 1
1 382 . 14 1 1 A 36 36 GLU N N 36 116.910 118.111 -1.201 1
1 383 . 14 1 1 A 37 37 ARG H H 37 8.489 8.135 0.354 1
1 384 . 14 1 1 A 37 37 ARG HA H 37 3.741 3.839 -0.098 1
1 391 . 14 1 1 A 37 37 ARG C C 37 177.835 178.003 -0.168 1
1 392 . 14 1 1 A 37 37 ARG CA C 37 60.076 59.344 0.732 1
1 393 . 14 1 1 A 37 37 ARG CB C 37 30.775 29.925 0.850 1
1 396 . 14 1 1 A 37 37 ARG N N 37 121.545 120.728 0.817 1
1 397 . 14 1 1 A 38 38 ALA H H 38 8.308 7.709 0.599 1
1 398 . 14 1 1 A 38 38 ALA HA H 38 3.941 4.026 -0.085 1
1 402 . 14 1 1 A 38 38 ALA C C 38 180.311 179.077 1.234 1
1 403 . 14 1 1 A 38 38 ALA CA C 38 55.446 55.032 0.414 1
1 404 . 14 1 1 A 38 38 ALA CB C 38 18.082 18.331 -0.249 1
1 405 . 14 1 1 A 38 38 ALA N N 38 120.571 120.987 -0.416 1
1 406 . 14 1 1 A 39 39 GLU H H 39 7.819 7.981 -0.162 1
1 407 . 14 1 1 A 39 39 GLU HA H 39 4.125 4.078 0.047 1
1 412 . 14 1 1 A 39 39 GLU C C 39 178.851 179.170 -0.319 1
1 413 . 14 1 1 A 39 39 GLU CA C 39 59.257 59.394 -0.137 1
1 414 . 14 1 1 A 39 39 GLU CB C 39 29.806 29.344 0.462 1
1 416 . 14 1 1 A 39 39 GLU N N 39 119.614 119.217 0.397 1
1 417 . 14 1 1 A 40 40 LEU H H 40 8.251 7.887 0.364 1
1 418 . 14 1 1 A 40 40 LEU HA H 40 4.149 4.101 0.048 1
1 428 . 14 1 1 A 40 40 LEU C C 40 178.939 179.258 -0.319 1
1 429 . 14 1 1 A 40 40 LEU CA C 40 57.625 57.520 0.105 1
1 430 . 14 1 1 A 40 40 LEU CB C 40 42.239 40.956 1.283 1
1 434 . 14 1 1 A 40 40 LEU N N 40 121.912 119.954 1.958 1
1 435 . 14 1 1 A 41 41 ALA H H 41 8.449 7.495 0.954 1
1 436 . 14 1 1 A 41 41 ALA HA H 41 3.629 4.140 -0.511 1
1 440 . 14 1 1 A 41 41 ALA C C 41 179.199 180.211 -1.012 1
1 441 . 14 1 1 A 41 41 ALA CA C 41 56.202 55.044 1.158 1
1 442 . 14 1 1 A 41 41 ALA CB C 41 17.819 18.212 -0.393 1
1 443 . 14 1 1 A 41 41 ALA N N 41 120.020 122.149 -2.129 1
1 444 . 14 1 1 A 42 42 ALA H H 42 7.800 8.276 -0.476 1
1 445 . 14 1 1 A 42 42 ALA HA H 42 4.240 4.266 -0.026 1
1 449 . 14 1 1 A 42 42 ALA C C 42 181.146 179.709 1.437 1
1 450 . 14 1 1 A 42 42 ALA CA C 42 54.991 54.625 0.366 1
1 451 . 14 1 1 A 42 42 ALA CB C 42 17.983 18.781 -0.798 1
1 452 . 14 1 1 A 42 42 ALA N N 42 118.414 120.363 -1.949 1
1 453 . 14 1 1 A 43 43 SER H H 43 8.172 8.429 -0.257 1
1 454 . 14 1 1 A 43 43 SER HA H 43 4.314 4.234 0.080 1
1 457 . 14 1 1 A 43 43 SER C C 43 175.817 175.832 -0.015 1
1 458 . 14 1 1 A 43 43 SER CA C 43 61.138 62.263 -1.125 1
1 459 . 14 1 1 A 43 43 SER CB C 43 63.341 63.317 0.024 1
1 460 . 14 1 1 A 43 43 SER N N 43 113.508 114.686 -1.178 1
1 461 . 14 1 1 A 44 44 LEU H H 44 7.701 7.685 0.016 1
1 462 . 14 1 1 A 44 44 LEU HA H 44 4.662 4.207 0.455 1
1 472 . 14 1 1 A 44 44 LEU C C 44 177.588 177.081 0.507 1
1 473 . 14 1 1 A 44 44 LEU CA C 44 54.556 55.051 -0.495 1
1 474 . 14 1 1 A 44 44 LEU CB C 44 44.134 42.291 1.843 1
1 478 . 14 1 1 A 44 44 LEU N N 44 117.384 117.738 -0.354 1
1 479 . 14 1 1 A 45 45 GLY H H 45 7.971 8.068 -0.097 1
1 480 . 14 1 1 A 45 45 GLY HA2 H 45 4.130 3.951 0.179 1
1 481 . 14 1 1 A 45 45 GLY HA3 H 45 3.991 3.976 0.015 1
1 482 . 14 1 1 A 45 45 GLY C C 45 174.538 174.312 0.226 1
1 483 . 14 1 1 A 45 45 GLY CA C 45 46.623 46.007 0.616 1
1 484 . 14 1 1 A 45 45 GLY N N 45 110.156 107.584 2.572 1
1 485 . 14 1 1 A 46 46 LEU H H 46 8.012 7.892 0.120 1
1 486 . 14 1 1 A 46 46 LEU HA H 46 4.914 4.799 0.115 1
1 496 . 14 1 1 A 46 46 LEU C C 46 176.613 175.587 1.026 1
1 497 . 14 1 1 A 46 46 LEU CA C 46 52.652 53.409 -0.757 1
1 498 . 14 1 1 A 46 46 LEU CB C 46 46.882 43.053 3.829 1
1 502 . 14 1 1 A 46 46 LEU N N 46 119.755 121.192 -1.437 1
1 503 . 14 1 1 A 47 47 THR H H 47 8.846 8.393 0.453 1
1 504 . 14 1 1 A 47 47 THR HA H 47 4.681 4.855 -0.174 1
1 509 . 14 1 1 A 47 47 THR C C 47 176.869 175.410 1.459 1
1 510 . 14 1 1 A 47 47 THR CA C 47 60.326 59.461 0.865 1
1 511 . 14 1 1 A 47 47 THR CB C 47 70.720 70.942 -0.222 1
1 513 . 14 1 1 A 47 47 THR N N 47 109.908 113.883 -3.975 1
1 514 . 14 1 1 A 48 48 GLN H H 48 9.324 9.098 0.226 1
1 515 . 14 1 1 A 48 48 GLN HA H 48 3.708 3.949 -0.241 1
1 522 . 14 1 1 A 48 48 GLN C C 48 178.548 177.875 0.673 1
1 523 . 14 1 1 A 48 48 GLN CA C 48 60.839 59.392 1.447 1
1 524 . 14 1 1 A 48 48 GLN CB C 48 27.998 28.264 -0.266 1
1 526 . 14 1 1 A 48 48 GLN N N 48 120.589 127.101 -6.512 1
1 528 . 14 1 1 A 49 49 THR H H 49 8.172 7.795 0.377 1
1 529 . 14 1 1 A 49 49 THR HA H 49 3.908 4.092 -0.184 1
1 534 . 14 1 1 A 49 49 THR CA C 49 66.920 65.937 0.983 1
1 535 . 14 1 1 A 49 49 THR CB C 49 68.671 68.631 0.040 1
1 537 . 14 1 1 A 49 49 THR N N 49 115.925 117.410 -1.485 1
1 538 . 14 1 1 A 50 50 GLN H H 50 8.005 8.313 -0.308 1
1 539 . 14 1 1 A 50 50 GLN HA H 50 4.049 4.361 -0.312 1
1 546 . 14 1 1 A 50 50 GLN C C 50 180.191 178.104 2.087 1
1 547 . 14 1 1 A 50 50 GLN CA C 50 59.633 58.216 1.417 1
1 548 . 14 1 1 A 50 50 GLN CB C 50 28.965 29.647 -0.682 1
1 550 . 14 1 1 A 50 50 GLN N N 50 120.680 120.315 0.365 1
1 552 . 14 1 1 A 51 51 VAL H H 51 7.759 8.136 -0.377 1
1 553 . 14 1 1 A 51 51 VAL HA H 51 3.754 3.800 -0.046 1
1 561 . 14 1 1 A 51 51 VAL C C 51 176.534 178.508 -1.974 1
1 562 . 14 1 1 A 51 51 VAL CA C 51 67.618 66.642 0.976 1
1 563 . 14 1 1 A 51 51 VAL CB C 51 32.052 31.640 0.412 1
1 566 . 14 1 1 A 51 51 VAL N N 51 119.814 120.824 -1.010 1
1 567 . 14 1 1 A 52 52 LYS H H 52 8.504 7.696 0.808 1
1 568 . 14 1 1 A 52 52 LYS HA H 52 4.301 4.043 0.258 1
1 577 . 14 1 1 A 52 52 LYS C C 52 179.918 179.821 0.097 1
1 578 . 14 1 1 A 52 52 LYS CA C 52 60.046 59.635 0.411 1
1 579 . 14 1 1 A 52 52 LYS CB C 52 33.392 32.362 1.030 1
1 583 . 14 1 1 A 52 52 LYS N N 52 121.422 119.552 1.870 1
1 584 . 14 1 1 A 53 53 ILE H H 53 8.775 8.202 0.573 1
1 585 . 14 1 1 A 53 53 ILE HA H 53 3.866 3.707 0.159 1
1 595 . 14 1 1 A 53 53 ILE C C 53 177.447 178.538 -1.091 1
1 596 . 14 1 1 A 53 53 ILE CA C 53 64.285 65.404 -1.119 1
1 597 . 14 1 1 A 53 53 ILE CB C 53 38.066 37.774 0.292 1
1 601 . 14 1 1 A 53 53 ILE N N 53 119.411 120.280 -0.869 1
1 602 . 14 1 1 A 54 54 TRP H H 54 8.052 8.204 -0.152 1
1 603 . 14 1 1 A 54 54 TRP HA H 54 4.005 4.170 -0.165 1
1 612 . 14 1 1 A 54 54 TRP C C 54 179.712 178.195 1.517 1
1 613 . 14 1 1 A 54 54 TRP CA C 54 63.406 61.379 2.027 1
1 614 . 14 1 1 A 54 54 TRP CB C 54 28.935 29.292 -0.357 1
1 620 . 14 1 1 A 54 54 TRP N N 54 122.233 122.115 0.118 1
1 622 . 14 1 1 A 55 55 PHE H H 55 8.720 8.313 0.407 1
1 623 . 14 1 1 A 55 55 PHE HA H 55 3.786 4.551 -0.765 1
1 631 . 14 1 1 A 55 55 PHE C C 55 177.753 178.211 -0.458 1
1 632 . 14 1 1 A 55 55 PHE CA C 55 63.194 62.056 1.138 1
1 633 . 14 1 1 A 55 55 PHE CB C 55 39.739 38.779 0.960 1
1 639 . 14 1 1 A 55 55 PHE N N 55 118.671 118.091 0.580 1
1 640 . 14 1 1 A 56 56 GLN H H 56 8.294 8.582 -0.288 1
1 641 . 14 1 1 A 56 56 GLN HA H 56 3.952 3.924 0.028 1
1 648 . 14 1 1 A 56 56 GLN C C 56 179.029 177.980 1.049 1
1 649 . 14 1 1 A 56 56 GLN CA C 56 59.414 58.711 0.703 1
1 650 . 14 1 1 A 56 56 GLN CB C 56 28.724 28.689 0.035 1
1 652 . 14 1 1 A 56 56 GLN N N 56 118.357 120.201 -1.844 1
1 654 . 14 1 1 A 57 57 ASN H H 57 8.580 8.338 0.242 1
1 655 . 14 1 1 A 57 57 ASN HA H 57 4.315 4.298 0.017 1
1 660 . 14 1 1 A 57 57 ASN C C 57 177.717 177.526 0.191 1
1 661 . 14 1 1 A 57 57 ASN CA C 57 55.541 56.357 -0.816 1
1 662 . 14 1 1 A 57 57 ASN CB C 57 37.796 38.006 -0.210 1
1 663 . 14 1 1 A 57 57 ASN N N 57 118.858 117.872 0.986 1
1 665 . 14 1 1 A 58 58 LYS H H 58 7.761 7.562 0.199 1
1 666 . 14 1 1 A 58 58 LYS HA H 58 3.416 3.457 -0.041 1
1 675 . 14 1 1 A 58 58 LYS C C 58 178.937 178.572 0.365 1
1 676 . 14 1 1 A 58 58 LYS CA C 58 57.292 59.504 -2.212 1
1 677 . 14 1 1 A 58 58 LYS CB C 58 30.746 31.386 -0.640 1
1 681 . 14 1 1 A 58 58 LYS N N 58 122.418 120.044 2.374 1
1 682 . 14 1 1 A 59 59 ARG H H 59 7.965 8.156 -0.191 1
1 683 . 14 1 1 A 59 59 ARG HA H 59 4.078 4.199 -0.121 1
1 690 . 14 1 1 A 59 59 ARG C C 59 178.804 178.742 0.062 1
1 691 . 14 1 1 A 59 59 ARG CA C 59 60.056 59.993 0.063 1
1 692 . 14 1 1 A 59 59 ARG CB C 59 31.573 30.104 1.469 1
1 695 . 14 1 1 A 59 59 ARG N N 59 116.992 118.553 -1.561 1
1 696 . 14 1 1 A 60 60 SER H H 60 7.733 7.574 0.159 1
1 697 . 14 1 1 A 60 60 SER HA H 60 4.308 4.113 0.195 1
1 700 . 14 1 1 A 60 60 SER C C 60 175.262 177.196 -1.934 1
1 701 . 14 1 1 A 60 60 SER CA C 60 60.550 61.386 -0.836 1
1 702 . 14 1 1 A 60 60 SER CB C 60 63.304 62.998 0.306 1
1 703 . 14 1 1 A 60 60 SER N N 60 113.717 114.719 -1.002 1
1 704 . 14 1 1 A 61 61 LYS H H 61 7.622 8.164 -0.542 1
1 705 . 14 1 1 A 61 61 LYS HA H 61 4.218 3.994 0.224 1
1 714 . 14 1 1 A 61 61 LYS C C 61 177.402 177.409 -0.007 1
1 715 . 14 1 1 A 61 61 LYS CA C 61 56.989 59.348 -2.359 1
1 716 . 14 1 1 A 61 61 LYS CB C 61 32.486 31.715 0.771 1
1 720 . 14 1 1 A 61 61 LYS N N 61 121.107 121.039 0.068 1
1 721 . 14 1 1 A 62 62 ILE H H 62 7.632 7.803 -0.171 1
1 722 . 14 1 1 A 62 62 ILE HA H 62 4.074 3.997 0.077 1
1 732 . 14 1 1 A 62 62 ILE C C 62 176.614 175.495 1.119 1
1 733 . 14 1 1 A 62 62 ILE CA C 62 61.960 62.248 -0.288 1
1 734 . 14 1 1 A 62 62 ILE CB C 62 38.231 37.791 0.440 1
1 738 . 14 1 1 A 62 62 ILE N N 62 119.268 119.641 -0.373 1
1 739 . 14 1 1 A 63 63 LYS H H 63 8.100 8.647 -0.547 1
1 740 . 14 1 1 A 63 63 LYS HA H 63 4.304 4.944 -0.640 1
1 747 . 14 1 1 A 63 63 LYS C C 63 176.623 176.229 0.394 1
1 748 . 14 1 1 A 63 63 LYS CA C 63 56.672 54.388 2.284 1
1 749 . 14 1 1 A 63 63 LYS CB C 63 32.898 35.819 -2.921 1
1 753 . 14 1 1 A 63 63 LYS N N 63 124.673 128.697 -4.024 1
1 754 . 14 1 1 A 64 64 LYS H H 64 8.272 8.229 0.043 1
1 755 . 14 1 1 A 64 64 LYS C C 64 176.619 175.494 1.125 1
1 756 . 14 1 1 A 64 64 LYS CA C 64 56.531 56.196 0.335 1
1 757 . 14 1 1 A 64 64 LYS CB C 64 33.017 33.024 -0.007 1
1 758 . 14 1 1 A 64 64 LYS N N 64 122.722 121.432 1.290 1
1 759 . 14 1 1 A 65 65 SER HA H 65 4.533 4.903 -0.370 1
1 762 . 14 1 1 A 65 65 SER C C 65 174.501 174.224 0.277 1
1 763 . 14 1 1 A 65 65 SER CA C 65 58.364 57.346 1.018 1
1 764 . 14 1 1 A 65 65 SER CB C 65 64.210 64.219 -0.009 1
1 765 . 14 1 1 A 66 66 GLY H H 66 8.264 8.329 -0.065 1
1 766 . 14 1 1 A 66 66 GLY C C 66 171.884 173.292 -1.408 1
1 767 . 14 1 1 A 66 66 GLY CA C 66 44.719 44.572 0.147 1
1 768 . 14 1 1 A 66 66 GLY N N 66 110.727 113.616 -2.889 1
1 772 . 14 1 1 A 67 67 PRO CA C 67 63.385 62.686 0.699 1
1 773 . 14 1 1 A 67 67 PRO CB C 67 32.419 30.679 1.740 1
1 1 . 15 1 1 A 8 8 ARG HA H 8 4.360 4.674 -0.314 1
1 8 . 15 1 1 A 8 8 ARG C C 8 176.260 175.761 0.499 1
1 9 . 15 1 1 A 8 8 ARG CA C 8 55.966 54.656 1.310 1
1 10 . 15 1 1 A 8 8 ARG CB C 8 30.838 30.481 0.357 1
1 13 . 15 1 1 A 9 9 LYS H H 9 8.400 8.524 -0.124 1
1 14 . 15 1 1 A 9 9 LYS C C 9 174.555 176.200 -1.645 1
1 15 . 15 1 1 A 9 9 LYS CA C 9 54.274 54.651 -0.377 1
1 16 . 15 1 1 A 9 9 LYS CB C 9 32.440 33.631 -1.191 1
1 17 . 15 1 1 A 9 9 LYS N N 9 124.470 126.374 -1.904 1
1 18 . 15 1 1 A 10 10 PRO HA H 10 4.441 4.511 -0.070 1
1 25 . 15 1 1 A 10 10 PRO C C 10 176.789 176.370 0.419 1
1 26 . 15 1 1 A 10 10 PRO CA C 10 63.088 64.078 -0.990 1
1 27 . 15 1 1 A 10 10 PRO CB C 10 32.156 31.464 0.692 1
1 30 . 15 1 1 A 11 11 ARG H H 11 8.471 8.147 0.324 1
1 31 . 15 1 1 A 11 11 ARG HA H 11 4.370 4.870 -0.500 1
1 36 . 15 1 1 A 11 11 ARG C C 11 176.400 175.106 1.294 1
1 37 . 15 1 1 A 11 11 ARG CA C 11 56.439 54.862 1.577 1
1 38 . 15 1 1 A 11 11 ARG CB C 11 30.710 31.886 -1.176 1
1 40 . 15 1 1 A 11 11 ARG N N 11 121.881 120.528 1.353 1
1 41 . 15 1 1 A 12 12 THR HA H 12 4.270 4.664 -0.394 1
1 46 . 15 1 1 A 12 12 THR C C 12 173.737 175.993 -2.256 1
1 47 . 15 1 1 A 12 12 THR CA C 12 62.101 61.757 0.344 1
1 48 . 15 1 1 A 12 12 THR CB C 12 69.896 70.503 -0.607 1
1 50 . 15 1 1 A 13 13 ILE H H 13 8.215 8.572 -0.357 1
1 51 . 15 1 1 A 13 13 ILE HA H 13 4.063 3.843 0.220 1
1 61 . 15 1 1 A 13 13 ILE C C 13 175.361 175.883 -0.522 1
1 62 . 15 1 1 A 13 13 ILE CA C 13 61.109 63.922 -2.813 1
1 63 . 15 1 1 A 13 13 ILE CB C 13 38.748 38.147 0.601 1
1 67 . 15 1 1 A 13 13 ILE N N 13 124.648 123.256 1.392 1
1 68 . 15 1 1 A 14 14 TYR H H 14 7.928 7.765 0.163 1
1 69 . 15 1 1 A 14 14 TYR HA H 14 4.923 5.296 -0.373 1
1 76 . 15 1 1 A 14 14 TYR C C 14 176.009 175.552 0.457 1
1 77 . 15 1 1 A 14 14 TYR CA C 14 56.425 56.877 -0.452 1
1 78 . 15 1 1 A 14 14 TYR CB C 14 39.984 42.551 -2.567 1
1 83 . 15 1 1 A 14 14 TYR N N 14 122.287 119.752 2.535 1
1 84 . 15 1 1 A 15 15 SER H H 15 9.368 8.354 1.014 1
1 85 . 15 1 1 A 15 15 SER HA H 15 4.639 4.576 0.063 1
1 88 . 15 1 1 A 15 15 SER C C 15 175.065 176.204 -1.139 1
1 89 . 15 1 1 A 15 15 SER CA C 15 56.918 59.243 -2.325 1
1 90 . 15 1 1 A 15 15 SER CB C 15 65.646 63.869 1.777 1
1 91 . 15 1 1 A 15 15 SER N N 15 119.482 121.783 -2.301 1
1 92 . 15 1 1 A 16 16 SER HA H 16 4.181 4.135 0.046 1
1 95 . 15 1 1 A 16 16 SER CA C 16 62.192 62.145 0.047 1
1 96 . 15 1 1 A 16 16 SER CB C 16 62.188 62.468 -0.280 1
1 97 . 15 1 1 A 17 17 PHE H H 17 7.815 8.064 -0.249 1
1 98 . 15 1 1 A 17 17 PHE HA H 17 4.313 4.129 0.184 1
1 106 . 15 1 1 A 17 17 PHE C C 17 177.979 178.183 -0.204 1
1 107 . 15 1 1 A 17 17 PHE CA C 17 60.981 61.824 -0.843 1
1 108 . 15 1 1 A 17 17 PHE CB C 17 39.519 39.043 0.476 1
1 114 . 15 1 1 A 17 17 PHE N N 17 119.320 123.442 -4.122 1
1 115 . 15 1 1 A 18 18 GLN H H 18 7.816 8.323 -0.507 1
1 116 . 15 1 1 A 18 18 GLN HA H 18 3.720 4.311 -0.591 1
1 123 . 15 1 1 A 18 18 GLN C C 18 177.456 178.982 -1.526 1
1 124 . 15 1 1 A 18 18 GLN CA C 18 58.902 58.835 0.067 1
1 125 . 15 1 1 A 18 18 GLN CB C 18 28.118 28.473 -0.355 1
1 127 . 15 1 1 A 18 18 GLN N N 18 119.339 118.658 0.681 1
1 129 . 15 1 1 A 19 19 LEU H H 19 8.583 8.332 0.251 1
1 130 . 15 1 1 A 19 19 LEU HA H 19 3.570 3.827 -0.257 1
1 140 . 15 1 1 A 19 19 LEU C C 19 178.761 178.543 0.218 1
1 141 . 15 1 1 A 19 19 LEU CA C 19 57.837 57.863 -0.026 1
1 142 . 15 1 1 A 19 19 LEU CB C 19 41.883 42.179 -0.296 1
1 146 . 15 1 1 A 19 19 LEU N N 19 117.368 120.856 -3.488 1
1 147 . 15 1 1 A 20 20 ALA H H 20 7.918 8.518 -0.600 1
1 148 . 15 1 1 A 20 20 ALA HA H 20 4.019 4.003 0.016 1
1 152 . 15 1 1 A 20 20 ALA C C 20 180.256 179.724 0.532 1
1 153 . 15 1 1 A 20 20 ALA CA C 20 54.944 55.697 -0.753 1
1 154 . 15 1 1 A 20 20 ALA CB C 20 17.731 18.745 -1.014 1
1 155 . 15 1 1 A 20 20 ALA N N 20 120.010 120.922 -0.912 1
1 156 . 15 1 1 A 21 21 ALA H H 21 7.313 7.765 -0.452 1
1 157 . 15 1 1 A 21 21 ALA HA H 21 3.945 3.998 -0.053 1
1 161 . 15 1 1 A 21 21 ALA C C 21 181.088 179.587 1.501 1
1 162 . 15 1 1 A 21 21 ALA CA C 21 54.749 54.850 -0.101 1
1 163 . 15 1 1 A 21 21 ALA CB C 21 19.723 18.294 1.429 1
1 164 . 15 1 1 A 21 21 ALA N N 21 120.493 120.464 0.029 1
1 165 . 15 1 1 A 22 22 LEU H H 22 8.049 7.896 0.153 1
1 166 . 15 1 1 A 22 22 LEU HA H 22 3.507 3.687 -0.180 1
1 176 . 15 1 1 A 22 22 LEU C C 22 177.768 178.553 -0.785 1
1 177 . 15 1 1 A 22 22 LEU CA C 22 58.418 57.763 0.655 1
1 178 . 15 1 1 A 22 22 LEU CB C 22 38.280 41.033 -2.753 1
1 182 . 15 1 1 A 22 22 LEU N N 22 121.618 118.262 3.356 1
1 183 . 15 1 1 A 23 23 GLN H H 23 8.047 8.426 -0.379 1
1 184 . 15 1 1 A 23 23 GLN HA H 23 4.042 4.086 -0.044 1
1 191 . 15 1 1 A 23 23 GLN C C 23 178.945 179.179 -0.234 1
1 192 . 15 1 1 A 23 23 GLN CA C 23 59.172 59.329 -0.157 1
1 193 . 15 1 1 A 23 23 GLN CB C 23 28.225 28.353 -0.128 1
1 195 . 15 1 1 A 23 23 GLN N N 23 117.012 117.009 0.003 1
1 197 . 15 1 1 A 24 24 ARG H H 24 7.956 7.960 -0.004 1
1 198 . 15 1 1 A 24 24 ARG HA H 24 4.098 3.970 0.128 1
1 205 . 15 1 1 A 24 24 ARG C C 24 179.440 178.334 1.106 1
1 206 . 15 1 1 A 24 24 ARG CA C 24 59.443 60.001 -0.558 1
1 207 . 15 1 1 A 24 24 ARG CB C 24 30.290 29.966 0.324 1
1 210 . 15 1 1 A 24 24 ARG N N 24 118.511 119.798 -1.287 1
1 211 . 15 1 1 A 25 25 ARG H H 25 7.768 7.907 -0.139 1
1 212 . 15 1 1 A 25 25 ARG HA H 25 4.380 4.112 0.268 1
1 219 . 15 1 1 A 25 25 ARG C C 25 177.933 178.647 -0.714 1
1 220 . 15 1 1 A 25 25 ARG CA C 25 56.993 58.884 -1.891 1
1 221 . 15 1 1 A 25 25 ARG CB C 25 28.118 29.951 -1.833 1
1 224 . 15 1 1 A 25 25 ARG N N 25 119.018 119.422 -0.404 1
1 225 . 15 1 1 A 26 26 PHE H H 26 8.739 8.452 0.287 1
1 226 . 15 1 1 A 26 26 PHE HA H 26 4.680 4.373 0.307 1
1 234 . 15 1 1 A 26 26 PHE C C 26 175.842 177.516 -1.674 1
1 235 . 15 1 1 A 26 26 PHE CA C 26 60.339 61.651 -1.312 1
1 236 . 15 1 1 A 26 26 PHE CB C 26 39.477 39.029 0.448 1
1 242 . 15 1 1 A 26 26 PHE N N 26 121.838 120.386 1.452 1
1 243 . 15 1 1 A 27 27 GLN H H 27 7.712 8.676 -0.964 1
1 244 . 15 1 1 A 27 27 GLN HA H 27 3.979 3.834 0.145 1
1 251 . 15 1 1 A 27 27 GLN C C 27 177.336 177.704 -0.368 1
1 252 . 15 1 1 A 27 27 GLN CA C 27 57.877 58.259 -0.382 1
1 253 . 15 1 1 A 27 27 GLN CB C 27 28.809 27.722 1.087 1
1 255 . 15 1 1 A 27 27 GLN N N 27 113.533 117.416 -3.883 1
1 257 . 15 1 1 A 28 28 LYS H H 28 7.469 7.472 -0.003 1
1 258 . 15 1 1 A 28 28 LYS HA H 28 4.316 4.208 0.108 1
1 267 . 15 1 1 A 28 28 LYS C C 28 177.011 176.439 0.572 1
1 268 . 15 1 1 A 28 28 LYS CA C 28 57.805 57.825 -0.020 1
1 269 . 15 1 1 A 28 28 LYS CB C 28 33.639 33.247 0.392 1
1 273 . 15 1 1 A 28 28 LYS N N 28 117.851 117.679 0.172 1
1 274 . 15 1 1 A 29 29 THR H H 29 8.373 7.932 0.441 1
1 275 . 15 1 1 A 29 29 THR HA H 29 4.457 4.565 -0.108 1
1 280 . 15 1 1 A 29 29 THR C C 29 171.650 173.605 -1.955 1
1 281 . 15 1 1 A 29 29 THR CA C 29 59.598 60.148 -0.550 1
1 282 . 15 1 1 A 29 29 THR CB C 29 70.546 71.159 -0.613 1
1 284 . 15 1 1 A 29 29 THR N N 29 113.944 110.483 3.461 1
1 285 . 15 1 1 A 30 30 GLN H H 30 8.210 8.264 -0.054 1
1 286 . 15 1 1 A 30 30 GLN HA H 30 3.863 4.362 -0.499 1
1 293 . 15 1 1 A 30 30 GLN C C 30 174.111 175.505 -1.394 1
1 294 . 15 1 1 A 30 30 GLN CA C 30 56.868 57.450 -0.582 1
1 295 . 15 1 1 A 30 30 GLN CB C 30 27.841 29.604 -1.763 1
1 297 . 15 1 1 A 30 30 GLN N N 30 121.138 125.051 -3.913 1
1 299 . 15 1 1 A 31 31 TYR H H 31 7.532 7.238 0.294 1
1 300 . 15 1 1 A 31 31 TYR HA H 31 4.700 5.251 -0.551 1
1 307 . 15 1 1 A 31 31 TYR C C 31 174.485 174.796 -0.311 1
1 308 . 15 1 1 A 31 31 TYR CA C 31 56.954 57.122 -0.168 1
1 309 . 15 1 1 A 31 31 TYR CB C 31 41.374 41.000 0.374 1
1 314 . 15 1 1 A 31 31 TYR N N 31 114.987 117.338 -2.351 1
1 315 . 15 1 1 A 32 32 LEU H H 32 8.382 8.956 -0.574 1
1 316 . 15 1 1 A 32 32 LEU HA H 32 4.486 5.019 -0.533 1
1 326 . 15 1 1 A 32 32 LEU C C 32 176.526 176.854 -0.328 1
1 327 . 15 1 1 A 32 32 LEU CA C 32 53.216 53.397 -0.181 1
1 328 . 15 1 1 A 32 32 LEU CB C 32 44.134 44.935 -0.801 1
1 332 . 15 1 1 A 32 32 LEU N N 32 123.429 123.470 -0.041 1
1 333 . 15 1 1 A 33 33 ALA H H 33 8.805 8.832 -0.027 1
1 334 . 15 1 1 A 33 33 ALA HA H 33 4.469 4.543 -0.074 1
1 338 . 15 1 1 A 33 33 ALA C C 33 178.230 177.618 0.612 1
1 339 . 15 1 1 A 33 33 ALA CA C 33 51.183 51.838 -0.655 1
1 340 . 15 1 1 A 33 33 ALA CB C 33 19.852 19.909 -0.057 1
1 341 . 15 1 1 A 33 33 ALA N N 33 126.131 126.497 -0.366 1
1 342 . 15 1 1 A 34 34 LEU H H 34 8.898 8.751 0.147 1
1 343 . 15 1 1 A 34 34 LEU HA H 34 4.088 4.066 0.022 1
1 353 . 15 1 1 A 34 34 LEU C C 34 178.245 175.390 2.855 1
1 354 . 15 1 1 A 34 34 LEU CA C 34 60.712 59.517 1.195 1
1 355 . 15 1 1 A 34 34 LEU CB C 34 39.135 40.676 -1.541 1
1 359 . 15 1 1 A 34 34 LEU N N 34 122.061 119.945 2.116 1
1 360 . 15 1 1 A 35 35 PRO HA H 35 4.378 4.339 0.039 1
1 367 . 15 1 1 A 35 35 PRO C C 35 179.888 179.163 0.725 1
1 368 . 15 1 1 A 35 35 PRO CA C 35 65.894 65.406 0.488 1
1 369 . 15 1 1 A 35 35 PRO CB C 35 30.618 30.731 -0.113 1
1 372 . 15 1 1 A 36 36 GLU H H 36 6.984 8.450 -1.466 1
1 373 . 15 1 1 A 36 36 GLU HA H 36 4.192 4.053 0.139 1
1 378 . 15 1 1 A 36 36 GLU C C 36 179.230 179.335 -0.105 1
1 379 . 15 1 1 A 36 36 GLU CA C 36 58.631 59.979 -1.348 1
1 380 . 15 1 1 A 36 36 GLU CB C 36 30.290 28.997 1.293 1
1 382 . 15 1 1 A 36 36 GLU N N 36 116.910 118.245 -1.335 1
1 383 . 15 1 1 A 37 37 ARG H H 37 8.489 8.439 0.050 1
1 384 . 15 1 1 A 37 37 ARG HA H 37 3.741 3.946 -0.205 1
1 391 . 15 1 1 A 37 37 ARG C C 37 177.835 178.007 -0.172 1
1 392 . 15 1 1 A 37 37 ARG CA C 37 60.076 58.818 1.258 1
1 393 . 15 1 1 A 37 37 ARG CB C 37 30.775 29.729 1.046 1
1 396 . 15 1 1 A 37 37 ARG N N 37 121.545 120.622 0.923 1
1 397 . 15 1 1 A 38 38 ALA H H 38 8.308 7.945 0.363 1
1 398 . 15 1 1 A 38 38 ALA HA H 38 3.941 4.059 -0.118 1
1 402 . 15 1 1 A 38 38 ALA C C 38 180.311 180.167 0.144 1
1 403 . 15 1 1 A 38 38 ALA CA C 38 55.446 55.135 0.311 1
1 404 . 15 1 1 A 38 38 ALA CB C 38 18.082 18.454 -0.372 1
1 405 . 15 1 1 A 38 38 ALA N N 38 120.571 121.689 -1.118 1
1 406 . 15 1 1 A 39 39 GLU H H 39 7.819 8.021 -0.202 1
1 407 . 15 1 1 A 39 39 GLU HA H 39 4.125 3.964 0.161 1
1 412 . 15 1 1 A 39 39 GLU C C 39 178.851 179.500 -0.649 1
1 413 . 15 1 1 A 39 39 GLU CA C 39 59.257 59.451 -0.194 1
1 414 . 15 1 1 A 39 39 GLU CB C 39 29.806 29.276 0.530 1
1 416 . 15 1 1 A 39 39 GLU N N 39 119.614 118.684 0.930 1
1 417 . 15 1 1 A 40 40 LEU H H 40 8.251 8.115 0.136 1
1 418 . 15 1 1 A 40 40 LEU HA H 40 4.149 4.030 0.119 1
1 428 . 15 1 1 A 40 40 LEU C C 40 178.939 178.878 0.061 1
1 429 . 15 1 1 A 40 40 LEU CA C 40 57.625 57.883 -0.258 1
1 430 . 15 1 1 A 40 40 LEU CB C 40 42.239 41.025 1.214 1
1 434 . 15 1 1 A 40 40 LEU N N 40 121.912 119.984 1.928 1
1 435 . 15 1 1 A 41 41 ALA H H 41 8.449 7.843 0.606 1
1 436 . 15 1 1 A 41 41 ALA HA H 41 3.629 4.203 -0.574 1
1 440 . 15 1 1 A 41 41 ALA C C 41 179.199 178.556 0.643 1
1 441 . 15 1 1 A 41 41 ALA CA C 41 56.202 53.823 2.379 1
1 442 . 15 1 1 A 41 41 ALA CB C 41 17.819 18.233 -0.414 1
1 443 . 15 1 1 A 41 41 ALA N N 41 120.020 121.598 -1.578 1
1 444 . 15 1 1 A 42 42 ALA H H 42 7.800 7.992 -0.192 1
1 445 . 15 1 1 A 42 42 ALA HA H 42 4.240 4.304 -0.064 1
1 449 . 15 1 1 A 42 42 ALA C C 42 181.146 179.325 1.821 1
1 450 . 15 1 1 A 42 42 ALA CA C 42 54.991 53.794 1.197 1
1 451 . 15 1 1 A 42 42 ALA CB C 42 17.983 19.024 -1.041 1
1 452 . 15 1 1 A 42 42 ALA N N 42 118.414 119.788 -1.374 1
1 453 . 15 1 1 A 43 43 SER H H 43 8.172 8.347 -0.175 1
1 454 . 15 1 1 A 43 43 SER HA H 43 4.314 4.381 -0.067 1
1 457 . 15 1 1 A 43 43 SER C C 43 175.817 176.233 -0.416 1
1 458 . 15 1 1 A 43 43 SER CA C 43 61.138 62.124 -0.986 1
1 459 . 15 1 1 A 43 43 SER CB C 43 63.341 63.746 -0.405 1
1 460 . 15 1 1 A 43 43 SER N N 43 113.508 115.242 -1.734 1
1 461 . 15 1 1 A 44 44 LEU H H 44 7.701 7.769 -0.068 1
1 462 . 15 1 1 A 44 44 LEU HA H 44 4.662 4.463 0.199 1
1 472 . 15 1 1 A 44 44 LEU C C 44 177.588 176.954 0.634 1
1 473 . 15 1 1 A 44 44 LEU CA C 44 54.556 55.691 -1.135 1
1 474 . 15 1 1 A 44 44 LEU CB C 44 44.134 42.596 1.538 1
1 478 . 15 1 1 A 44 44 LEU N N 44 117.384 118.110 -0.726 1
1 479 . 15 1 1 A 45 45 GLY H H 45 7.971 7.971 0.000 1
1 480 . 15 1 1 A 45 45 GLY HA2 H 45 4.130 3.947 0.183 1
1 481 . 15 1 1 A 45 45 GLY HA3 H 45 3.991 3.954 0.037 1
1 482 . 15 1 1 A 45 45 GLY C C 45 174.538 174.258 0.280 1
1 483 . 15 1 1 A 45 45 GLY CA C 45 46.623 45.557 1.066 1
1 484 . 15 1 1 A 45 45 GLY N N 45 110.156 106.189 3.967 1
1 485 . 15 1 1 A 46 46 LEU H H 46 8.012 8.031 -0.019 1
1 486 . 15 1 1 A 46 46 LEU HA H 46 4.914 4.782 0.132 1
1 496 . 15 1 1 A 46 46 LEU C C 46 176.613 175.530 1.083 1
1 497 . 15 1 1 A 46 46 LEU CA C 46 52.652 53.449 -0.797 1
1 498 . 15 1 1 A 46 46 LEU CB C 46 46.882 42.731 4.151 1
1 502 . 15 1 1 A 46 46 LEU N N 46 119.755 121.886 -2.131 1
1 503 . 15 1 1 A 47 47 THR H H 47 8.846 8.362 0.484 1
1 504 . 15 1 1 A 47 47 THR HA H 47 4.681 4.805 -0.124 1
1 509 . 15 1 1 A 47 47 THR C C 47 176.869 175.374 1.495 1
1 510 . 15 1 1 A 47 47 THR CA C 47 60.326 59.624 0.702 1
1 511 . 15 1 1 A 47 47 THR CB C 47 70.720 70.926 -0.206 1
1 513 . 15 1 1 A 47 47 THR N N 47 109.908 114.000 -4.092 1
1 514 . 15 1 1 A 48 48 GLN H H 48 9.324 9.015 0.309 1
1 515 . 15 1 1 A 48 48 GLN HA H 48 3.708 4.036 -0.328 1
1 522 . 15 1 1 A 48 48 GLN C C 48 178.548 177.953 0.595 1
1 523 . 15 1 1 A 48 48 GLN CA C 48 60.839 59.147 1.692 1
1 524 . 15 1 1 A 48 48 GLN CB C 48 27.998 28.308 -0.310 1
1 526 . 15 1 1 A 48 48 GLN N N 48 120.589 127.403 -6.814 1
1 528 . 15 1 1 A 49 49 THR H H 49 8.172 7.680 0.492 1
1 529 . 15 1 1 A 49 49 THR HA H 49 3.908 4.205 -0.297 1
1 534 . 15 1 1 A 49 49 THR CA C 49 66.920 65.862 1.058 1
1 535 . 15 1 1 A 49 49 THR CB C 49 68.671 68.628 0.043 1
1 537 . 15 1 1 A 49 49 THR N N 49 115.925 116.797 -0.872 1
1 538 . 15 1 1 A 50 50 GLN H H 50 8.005 8.208 -0.203 1
1 539 . 15 1 1 A 50 50 GLN HA H 50 4.049 4.466 -0.417 1
1 546 . 15 1 1 A 50 50 GLN C C 50 180.191 178.254 1.937 1
1 547 . 15 1 1 A 50 50 GLN CA C 50 59.633 57.763 1.870 1
1 548 . 15 1 1 A 50 50 GLN CB C 50 28.965 29.801 -0.836 1
1 550 . 15 1 1 A 50 50 GLN N N 50 120.680 120.190 0.490 1
1 552 . 15 1 1 A 51 51 VAL H H 51 7.759 7.886 -0.127 1
1 553 . 15 1 1 A 51 51 VAL HA H 51 3.754 3.828 -0.074 1
1 561 . 15 1 1 A 51 51 VAL C C 51 176.534 178.222 -1.688 1
1 562 . 15 1 1 A 51 51 VAL CA C 51 67.618 66.553 1.065 1
1 563 . 15 1 1 A 51 51 VAL CB C 51 32.052 31.310 0.742 1
1 566 . 15 1 1 A 51 51 VAL N N 51 119.814 120.586 -0.772 1
1 567 . 15 1 1 A 52 52 LYS H H 52 8.504 7.645 0.859 1
1 568 . 15 1 1 A 52 52 LYS HA H 52 4.301 4.150 0.151 1
1 577 . 15 1 1 A 52 52 LYS C C 52 179.918 179.702 0.216 1
1 578 . 15 1 1 A 52 52 LYS CA C 52 60.046 59.291 0.755 1
1 579 . 15 1 1 A 52 52 LYS CB C 52 33.392 32.541 0.851 1
1 583 . 15 1 1 A 52 52 LYS N N 52 121.422 119.581 1.841 1
1 584 . 15 1 1 A 53 53 ILE H H 53 8.775 8.120 0.655 1
1 585 . 15 1 1 A 53 53 ILE HA H 53 3.866 3.806 0.060 1
1 595 . 15 1 1 A 53 53 ILE C C 53 177.447 178.485 -1.038 1
1 596 . 15 1 1 A 53 53 ILE CA C 53 64.285 65.080 -0.795 1
1 597 . 15 1 1 A 53 53 ILE CB C 53 38.066 37.471 0.595 1
1 601 . 15 1 1 A 53 53 ILE N N 53 119.411 119.525 -0.114 1
1 602 . 15 1 1 A 54 54 TRP H H 54 8.052 8.100 -0.048 1
1 603 . 15 1 1 A 54 54 TRP HA H 54 4.005 4.133 -0.128 1
1 612 . 15 1 1 A 54 54 TRP C C 54 179.712 178.176 1.536 1
1 613 . 15 1 1 A 54 54 TRP CA C 54 63.406 61.312 2.094 1
1 614 . 15 1 1 A 54 54 TRP CB C 54 28.935 29.281 -0.346 1
1 620 . 15 1 1 A 54 54 TRP N N 54 122.233 122.024 0.209 1
1 622 . 15 1 1 A 55 55 PHE H H 55 8.720 8.082 0.638 1
1 623 . 15 1 1 A 55 55 PHE HA H 55 3.786 4.049 -0.263 1
1 631 . 15 1 1 A 55 55 PHE C C 55 177.753 178.179 -0.426 1
1 632 . 15 1 1 A 55 55 PHE CA C 55 63.194 61.783 1.411 1
1 633 . 15 1 1 A 55 55 PHE CB C 55 39.739 38.590 1.149 1
1 639 . 15 1 1 A 55 55 PHE N N 55 118.671 117.953 0.718 1
1 640 . 15 1 1 A 56 56 GLN H H 56 8.294 8.382 -0.088 1
1 641 . 15 1 1 A 56 56 GLN HA H 56 3.952 4.079 -0.127 1
1 648 . 15 1 1 A 56 56 GLN C C 56 179.029 178.324 0.705 1
1 649 . 15 1 1 A 56 56 GLN CA C 56 59.414 58.866 0.548 1
1 650 . 15 1 1 A 56 56 GLN CB C 56 28.724 28.579 0.145 1
1 652 . 15 1 1 A 56 56 GLN N N 56 118.357 119.172 -0.815 1
1 654 . 15 1 1 A 57 57 ASN H H 57 8.580 8.456 0.124 1
1 655 . 15 1 1 A 57 57 ASN HA H 57 4.315 4.443 -0.128 1
1 660 . 15 1 1 A 57 57 ASN C C 57 177.717 178.263 -0.546 1
1 661 . 15 1 1 A 57 57 ASN CA C 57 55.541 55.958 -0.417 1
1 662 . 15 1 1 A 57 57 ASN CB C 57 37.796 38.067 -0.271 1
1 663 . 15 1 1 A 57 57 ASN N N 57 118.858 117.748 1.110 1
1 665 . 15 1 1 A 58 58 LYS H H 58 7.761 7.365 0.396 1
1 666 . 15 1 1 A 58 58 LYS HA H 58 3.416 3.630 -0.214 1
1 675 . 15 1 1 A 58 58 LYS C C 58 178.937 179.529 -0.592 1
1 676 . 15 1 1 A 58 58 LYS CA C 58 57.292 59.645 -2.353 1
1 677 . 15 1 1 A 58 58 LYS CB C 58 30.746 31.537 -0.791 1
1 681 . 15 1 1 A 58 58 LYS N N 58 122.418 119.602 2.816 1
1 682 . 15 1 1 A 59 59 ARG H H 59 7.965 8.271 -0.306 1
1 683 . 15 1 1 A 59 59 ARG HA H 59 4.078 4.123 -0.045 1
1 690 . 15 1 1 A 59 59 ARG C C 59 178.804 178.764 0.040 1
1 691 . 15 1 1 A 59 59 ARG CA C 59 60.056 59.795 0.261 1
1 692 . 15 1 1 A 59 59 ARG CB C 59 31.573 30.166 1.407 1
1 695 . 15 1 1 A 59 59 ARG N N 59 116.992 119.647 -2.655 1
1 696 . 15 1 1 A 60 60 SER H H 60 7.733 8.170 -0.437 1
1 697 . 15 1 1 A 60 60 SER HA H 60 4.308 4.135 0.173 1
1 700 . 15 1 1 A 60 60 SER C C 60 175.262 176.080 -0.818 1
1 701 . 15 1 1 A 60 60 SER CA C 60 60.550 62.327 -1.777 1
1 702 . 15 1 1 A 60 60 SER CB C 60 63.304 62.997 0.307 1
1 703 . 15 1 1 A 60 60 SER N N 60 113.717 116.041 -2.324 1
1 704 . 15 1 1 A 61 61 LYS H H 61 7.622 7.552 0.070 1
1 705 . 15 1 1 A 61 61 LYS HA H 61 4.218 4.029 0.189 1
1 714 . 15 1 1 A 61 61 LYS C C 61 177.402 177.373 0.029 1
1 715 . 15 1 1 A 61 61 LYS CA C 61 56.989 59.470 -2.481 1
1 716 . 15 1 1 A 61 61 LYS CB C 61 32.486 31.832 0.654 1
1 720 . 15 1 1 A 61 61 LYS N N 61 121.107 120.578 0.529 1
1 721 . 15 1 1 A 62 62 ILE H H 62 7.632 7.539 0.093 1
1 722 . 15 1 1 A 62 62 ILE HA H 62 4.074 3.998 0.076 1
1 732 . 15 1 1 A 62 62 ILE C C 62 176.614 175.988 0.626 1
1 733 . 15 1 1 A 62 62 ILE CA C 62 61.960 61.945 0.015 1
1 734 . 15 1 1 A 62 62 ILE CB C 62 38.231 37.763 0.468 1
1 738 . 15 1 1 A 62 62 ILE N N 62 119.268 119.657 -0.389 1
1 739 . 15 1 1 A 63 63 LYS H H 63 8.100 8.306 -0.206 1
1 740 . 15 1 1 A 63 63 LYS HA H 63 4.304 4.096 0.208 1
1 747 . 15 1 1 A 63 63 LYS C C 63 176.623 176.721 -0.098 1
1 748 . 15 1 1 A 63 63 LYS CA C 63 56.672 57.594 -0.922 1
1 749 . 15 1 1 A 63 63 LYS CB C 63 32.898 32.603 0.295 1
1 753 . 15 1 1 A 63 63 LYS N N 63 124.673 127.791 -3.118 1
1 754 . 15 1 1 A 64 64 LYS H H 64 8.272 8.604 -0.332 1
1 755 . 15 1 1 A 64 64 LYS C C 64 176.619 177.027 -0.408 1
1 756 . 15 1 1 A 64 64 LYS CA C 64 56.531 55.260 1.271 1
1 757 . 15 1 1 A 64 64 LYS CB C 64 33.017 32.967 0.050 1
1 758 . 15 1 1 A 64 64 LYS N N 64 122.722 123.714 -0.992 1
1 759 . 15 1 1 A 65 65 SER HA H 65 4.533 4.422 0.111 1
1 762 . 15 1 1 A 65 65 SER C C 65 174.501 174.469 0.032 1
1 763 . 15 1 1 A 65 65 SER CA C 65 58.364 59.931 -1.567 1
1 764 . 15 1 1 A 65 65 SER CB C 65 64.210 63.146 1.064 1
1 765 . 15 1 1 A 66 66 GLY H H 66 8.264 8.336 -0.072 1
1 766 . 15 1 1 A 66 66 GLY C C 66 171.884 173.555 -1.671 1
1 767 . 15 1 1 A 66 66 GLY CA C 66 44.719 45.732 -1.013 1
1 768 . 15 1 1 A 66 66 GLY N N 66 110.727 111.262 -0.535 1
1 772 . 15 1 1 A 67 67 PRO CA C 67 63.385 64.874 -1.489 1
1 773 . 15 1 1 A 67 67 PRO CB C 67 32.419 32.056 0.363 1
1 1 . 16 1 1 A 8 8 ARG HA H 8 4.360 4.464 -0.104 1
1 8 . 16 1 1 A 8 8 ARG C C 8 176.260 175.413 0.847 1
1 9 . 16 1 1 A 8 8 ARG CA C 8 55.966 55.122 0.844 1
1 10 . 16 1 1 A 8 8 ARG CB C 8 30.838 30.476 0.362 1
1 13 . 16 1 1 A 9 9 LYS H H 9 8.400 7.478 0.922 1
1 14 . 16 1 1 A 9 9 LYS C C 9 174.555 175.366 -0.811 1
1 15 . 16 1 1 A 9 9 LYS CA C 9 54.274 52.730 1.544 1
1 16 . 16 1 1 A 9 9 LYS CB C 9 32.440 33.544 -1.104 1
1 17 . 16 1 1 A 9 9 LYS N N 9 124.470 121.890 2.580 1
1 18 . 16 1 1 A 10 10 PRO HA H 10 4.441 4.317 0.124 1
1 25 . 16 1 1 A 10 10 PRO C C 10 176.789 178.384 -1.595 1
1 26 . 16 1 1 A 10 10 PRO CA C 10 63.088 66.253 -3.165 1
1 27 . 16 1 1 A 10 10 PRO CB C 10 32.156 31.317 0.839 1
1 30 . 16 1 1 A 11 11 ARG H H 11 8.471 8.073 0.398 1
1 31 . 16 1 1 A 11 11 ARG HA H 11 4.370 4.199 0.171 1
1 36 . 16 1 1 A 11 11 ARG C C 11 176.400 175.414 0.986 1
1 37 . 16 1 1 A 11 11 ARG CA C 11 56.439 58.598 -2.159 1
1 38 . 16 1 1 A 11 11 ARG CB C 11 30.710 31.194 -0.484 1
1 40 . 16 1 1 A 11 11 ARG N N 11 121.881 117.773 4.108 1
1 41 . 16 1 1 A 12 12 THR HA H 12 4.270 4.804 -0.534 1
1 46 . 16 1 1 A 12 12 THR C C 12 173.737 174.406 -0.669 1
1 47 . 16 1 1 A 12 12 THR CA C 12 62.101 61.310 0.791 1
1 48 . 16 1 1 A 12 12 THR CB C 12 69.896 72.870 -2.974 1
1 50 . 16 1 1 A 13 13 ILE H H 13 8.215 8.526 -0.311 1
1 51 . 16 1 1 A 13 13 ILE HA H 13 4.063 3.892 0.171 1
1 61 . 16 1 1 A 13 13 ILE C C 13 175.361 175.809 -0.448 1
1 62 . 16 1 1 A 13 13 ILE CA C 13 61.109 63.857 -2.748 1
1 63 . 16 1 1 A 13 13 ILE CB C 13 38.748 38.224 0.524 1
1 67 . 16 1 1 A 13 13 ILE N N 13 124.648 123.757 0.891 1
1 68 . 16 1 1 A 14 14 TYR H H 14 7.928 7.940 -0.012 1
1 69 . 16 1 1 A 14 14 TYR HA H 14 4.923 5.225 -0.302 1
1 76 . 16 1 1 A 14 14 TYR C C 14 176.009 174.950 1.059 1
1 77 . 16 1 1 A 14 14 TYR CA C 14 56.425 56.615 -0.190 1
1 78 . 16 1 1 A 14 14 TYR CB C 14 39.984 42.811 -2.827 1
1 83 . 16 1 1 A 14 14 TYR N N 14 122.287 119.824 2.463 1
1 84 . 16 1 1 A 15 15 SER H H 15 9.368 8.266 1.102 1
1 85 . 16 1 1 A 15 15 SER HA H 15 4.639 4.628 0.011 1
1 88 . 16 1 1 A 15 15 SER C C 15 175.065 175.639 -0.574 1
1 89 . 16 1 1 A 15 15 SER CA C 15 56.918 58.025 -1.107 1
1 90 . 16 1 1 A 15 15 SER CB C 15 65.646 63.928 1.718 1
1 91 . 16 1 1 A 15 15 SER N N 15 119.482 118.237 1.245 1
1 92 . 16 1 1 A 16 16 SER HA H 16 4.181 4.133 0.048 1
1 95 . 16 1 1 A 16 16 SER CA C 16 62.192 62.406 -0.214 1
1 96 . 16 1 1 A 16 16 SER CB C 16 62.188 62.554 -0.366 1
1 97 . 16 1 1 A 17 17 PHE H H 17 7.815 8.389 -0.574 1
1 98 . 16 1 1 A 17 17 PHE HA H 17 4.313 3.979 0.334 1
1 106 . 16 1 1 A 17 17 PHE C C 17 177.979 177.360 0.619 1
1 107 . 16 1 1 A 17 17 PHE CA C 17 60.981 62.170 -1.189 1
1 108 . 16 1 1 A 17 17 PHE CB C 17 39.519 39.082 0.437 1
1 114 . 16 1 1 A 17 17 PHE N N 17 119.320 122.534 -3.214 1
1 115 . 16 1 1 A 18 18 GLN H H 18 7.816 7.878 -0.062 1
1 116 . 16 1 1 A 18 18 GLN HA H 18 3.720 3.416 0.304 1
1 123 . 16 1 1 A 18 18 GLN C C 18 177.456 178.316 -0.860 1
1 124 . 16 1 1 A 18 18 GLN CA C 18 58.902 58.789 0.113 1
1 125 . 16 1 1 A 18 18 GLN CB C 18 28.118 28.215 -0.097 1
1 127 . 16 1 1 A 18 18 GLN N N 18 119.339 118.066 1.273 1
1 129 . 16 1 1 A 19 19 LEU H H 19 8.583 8.450 0.133 1
1 130 . 16 1 1 A 19 19 LEU HA H 19 3.570 3.731 -0.161 1
1 140 . 16 1 1 A 19 19 LEU C C 19 178.761 178.990 -0.229 1
1 141 . 16 1 1 A 19 19 LEU CA C 19 57.837 57.872 -0.035 1
1 142 . 16 1 1 A 19 19 LEU CB C 19 41.883 41.506 0.377 1
1 146 . 16 1 1 A 19 19 LEU N N 19 117.368 120.214 -2.846 1
1 147 . 16 1 1 A 20 20 ALA H H 20 7.918 8.557 -0.639 1
1 148 . 16 1 1 A 20 20 ALA HA H 20 4.019 3.986 0.033 1
1 152 . 16 1 1 A 20 20 ALA C C 20 180.256 179.778 0.478 1
1 153 . 16 1 1 A 20 20 ALA CA C 20 54.944 55.489 -0.545 1
1 154 . 16 1 1 A 20 20 ALA CB C 20 17.731 18.673 -0.942 1
1 155 . 16 1 1 A 20 20 ALA N N 20 120.010 120.957 -0.947 1
1 156 . 16 1 1 A 21 21 ALA H H 21 7.313 7.450 -0.137 1
1 157 . 16 1 1 A 21 21 ALA HA H 21 3.945 4.012 -0.067 1
1 161 . 16 1 1 A 21 21 ALA C C 21 181.088 179.730 1.358 1
1 162 . 16 1 1 A 21 21 ALA CA C 21 54.749 54.915 -0.166 1
1 163 . 16 1 1 A 21 21 ALA CB C 21 19.723 18.114 1.609 1
1 164 . 16 1 1 A 21 21 ALA N N 21 120.493 120.378 0.115 1
1 165 . 16 1 1 A 22 22 LEU H H 22 8.049 8.021 0.028 1
1 166 . 16 1 1 A 22 22 LEU HA H 22 3.507 3.669 -0.162 1
1 176 . 16 1 1 A 22 22 LEU C C 22 177.768 178.681 -0.913 1
1 177 . 16 1 1 A 22 22 LEU CA C 22 58.418 57.593 0.825 1
1 178 . 16 1 1 A 22 22 LEU CB C 22 38.280 40.793 -2.513 1
1 182 . 16 1 1 A 22 22 LEU N N 22 121.618 118.412 3.206 1
1 183 . 16 1 1 A 23 23 GLN H H 23 8.047 8.597 -0.550 1
1 184 . 16 1 1 A 23 23 GLN HA H 23 4.042 4.186 -0.144 1
1 191 . 16 1 1 A 23 23 GLN C C 23 178.945 179.146 -0.201 1
1 192 . 16 1 1 A 23 23 GLN CA C 23 59.172 59.630 -0.458 1
1 193 . 16 1 1 A 23 23 GLN CB C 23 28.225 28.199 0.026 1
1 195 . 16 1 1 A 23 23 GLN N N 23 117.012 116.804 0.208 1
1 197 . 16 1 1 A 24 24 ARG H H 24 7.956 8.218 -0.262 1
1 198 . 16 1 1 A 24 24 ARG HA H 24 4.098 4.094 0.004 1
1 205 . 16 1 1 A 24 24 ARG C C 24 179.440 178.533 0.907 1
1 206 . 16 1 1 A 24 24 ARG CA C 24 59.443 59.694 -0.251 1
1 207 . 16 1 1 A 24 24 ARG CB C 24 30.290 29.971 0.319 1
1 210 . 16 1 1 A 24 24 ARG N N 24 118.511 119.677 -1.166 1
1 211 . 16 1 1 A 25 25 ARG H H 25 7.768 8.210 -0.442 1
1 212 . 16 1 1 A 25 25 ARG HA H 25 4.380 4.117 0.263 1
1 219 . 16 1 1 A 25 25 ARG C C 25 177.933 178.681 -0.748 1
1 220 . 16 1 1 A 25 25 ARG CA C 25 56.993 59.087 -2.094 1
1 221 . 16 1 1 A 25 25 ARG CB C 25 28.118 30.023 -1.905 1
1 224 . 16 1 1 A 25 25 ARG N N 25 119.018 119.976 -0.958 1
1 225 . 16 1 1 A 26 26 PHE H H 26 8.739 8.570 0.169 1
1 226 . 16 1 1 A 26 26 PHE HA H 26 4.680 4.261 0.419 1
1 234 . 16 1 1 A 26 26 PHE C C 26 175.842 177.344 -1.502 1
1 235 . 16 1 1 A 26 26 PHE CA C 26 60.339 61.926 -1.587 1
1 236 . 16 1 1 A 26 26 PHE CB C 26 39.477 39.768 -0.291 1
1 242 . 16 1 1 A 26 26 PHE N N 26 121.838 120.488 1.350 1
1 243 . 16 1 1 A 27 27 GLN H H 27 7.712 8.239 -0.527 1
1 244 . 16 1 1 A 27 27 GLN HA H 27 3.979 3.765 0.214 1
1 251 . 16 1 1 A 27 27 GLN C C 27 177.336 177.445 -0.109 1
1 252 . 16 1 1 A 27 27 GLN CA C 27 57.877 58.357 -0.480 1
1 253 . 16 1 1 A 27 27 GLN CB C 27 28.809 28.560 0.249 1
1 255 . 16 1 1 A 27 27 GLN N N 27 113.533 117.791 -4.258 1
1 257 . 16 1 1 A 28 28 LYS H H 28 7.469 7.295 0.174 1
1 258 . 16 1 1 A 28 28 LYS HA H 28 4.316 4.177 0.139 1
1 267 . 16 1 1 A 28 28 LYS C C 28 177.011 176.734 0.277 1
1 268 . 16 1 1 A 28 28 LYS CA C 28 57.805 58.221 -0.416 1
1 269 . 16 1 1 A 28 28 LYS CB C 28 33.639 33.082 0.557 1
1 273 . 16 1 1 A 28 28 LYS N N 28 117.851 117.166 0.685 1
1 274 . 16 1 1 A 29 29 THR H H 29 8.373 7.417 0.956 1
1 275 . 16 1 1 A 29 29 THR HA H 29 4.457 4.513 -0.056 1
1 280 . 16 1 1 A 29 29 THR C C 29 171.650 173.361 -1.711 1
1 281 . 16 1 1 A 29 29 THR CA C 29 59.598 60.604 -1.006 1
1 282 . 16 1 1 A 29 29 THR CB C 29 70.546 70.629 -0.083 1
1 284 . 16 1 1 A 29 29 THR N N 29 113.944 109.700 4.244 1
1 285 . 16 1 1 A 30 30 GLN H H 30 8.210 8.376 -0.166 1
1 286 . 16 1 1 A 30 30 GLN HA H 30 3.863 4.118 -0.255 1
1 293 . 16 1 1 A 30 30 GLN C C 30 174.111 175.305 -1.194 1
1 294 . 16 1 1 A 30 30 GLN CA C 30 56.868 57.043 -0.175 1
1 295 . 16 1 1 A 30 30 GLN CB C 30 27.841 29.689 -1.848 1
1 297 . 16 1 1 A 30 30 GLN N N 30 121.138 123.760 -2.622 1
1 299 . 16 1 1 A 31 31 TYR H H 31 7.532 7.517 0.015 1
1 300 . 16 1 1 A 31 31 TYR HA H 31 4.700 5.365 -0.665 1
1 307 . 16 1 1 A 31 31 TYR C C 31 174.485 174.498 -0.013 1
1 308 . 16 1 1 A 31 31 TYR CA C 31 56.954 56.769 0.185 1
1 309 . 16 1 1 A 31 31 TYR CB C 31 41.374 42.119 -0.745 1
1 314 . 16 1 1 A 31 31 TYR N N 31 114.987 116.997 -2.010 1
1 315 . 16 1 1 A 32 32 LEU H H 32 8.382 8.953 -0.571 1
1 316 . 16 1 1 A 32 32 LEU HA H 32 4.486 5.036 -0.550 1
1 326 . 16 1 1 A 32 32 LEU C C 32 176.526 176.863 -0.337 1
1 327 . 16 1 1 A 32 32 LEU CA C 32 53.216 53.422 -0.206 1
1 328 . 16 1 1 A 32 32 LEU CB C 32 44.134 44.821 -0.687 1
1 332 . 16 1 1 A 32 32 LEU N N 32 123.429 124.071 -0.642 1
1 333 . 16 1 1 A 33 33 ALA H H 33 8.805 8.867 -0.062 1
1 334 . 16 1 1 A 33 33 ALA HA H 33 4.469 4.465 0.004 1
1 338 . 16 1 1 A 33 33 ALA C C 33 178.230 177.590 0.640 1
1 339 . 16 1 1 A 33 33 ALA CA C 33 51.183 52.053 -0.870 1
1 340 . 16 1 1 A 33 33 ALA CB C 33 19.852 19.848 0.004 1
1 341 . 16 1 1 A 33 33 ALA N N 33 126.131 126.258 -0.127 1
1 342 . 16 1 1 A 34 34 LEU H H 34 8.898 8.738 0.160 1
1 343 . 16 1 1 A 34 34 LEU HA H 34 4.088 4.057 0.031 1
1 353 . 16 1 1 A 34 34 LEU C C 34 178.245 175.483 2.762 1
1 354 . 16 1 1 A 34 34 LEU CA C 34 60.712 59.535 1.177 1
1 355 . 16 1 1 A 34 34 LEU CB C 34 39.135 40.610 -1.475 1
1 359 . 16 1 1 A 34 34 LEU N N 34 122.061 119.938 2.123 1
1 360 . 16 1 1 A 35 35 PRO HA H 35 4.378 4.304 0.074 1
1 367 . 16 1 1 A 35 35 PRO C C 35 179.888 179.076 0.812 1
1 368 . 16 1 1 A 35 35 PRO CA C 35 65.894 65.491 0.403 1
1 369 . 16 1 1 A 35 35 PRO CB C 35 30.618 30.581 0.037 1
1 372 . 16 1 1 A 36 36 GLU H H 36 6.984 8.433 -1.449 1
1 373 . 16 1 1 A 36 36 GLU HA H 36 4.192 4.031 0.161 1
1 378 . 16 1 1 A 36 36 GLU C C 36 179.230 179.333 -0.103 1
1 379 . 16 1 1 A 36 36 GLU CA C 36 58.631 60.167 -1.536 1
1 380 . 16 1 1 A 36 36 GLU CB C 36 30.290 28.738 1.552 1
1 382 . 16 1 1 A 36 36 GLU N N 36 116.910 118.168 -1.258 1
1 383 . 16 1 1 A 37 37 ARG H H 37 8.489 8.262 0.227 1
1 384 . 16 1 1 A 37 37 ARG HA H 37 3.741 3.886 -0.145 1
1 391 . 16 1 1 A 37 37 ARG C C 37 177.835 177.839 -0.004 1
1 392 . 16 1 1 A 37 37 ARG CA C 37 60.076 59.163 0.913 1
1 393 . 16 1 1 A 37 37 ARG CB C 37 30.775 30.152 0.623 1
1 396 . 16 1 1 A 37 37 ARG N N 37 121.545 120.739 0.806 1
1 397 . 16 1 1 A 38 38 ALA H H 38 8.308 7.784 0.524 1
1 398 . 16 1 1 A 38 38 ALA HA H 38 3.941 4.024 -0.083 1
1 402 . 16 1 1 A 38 38 ALA C C 38 180.311 178.732 1.579 1
1 403 . 16 1 1 A 38 38 ALA CA C 38 55.446 55.021 0.425 1
1 404 . 16 1 1 A 38 38 ALA CB C 38 18.082 18.389 -0.307 1
1 405 . 16 1 1 A 38 38 ALA N N 38 120.571 121.052 -0.481 1
1 406 . 16 1 1 A 39 39 GLU H H 39 7.819 8.190 -0.371 1
1 407 . 16 1 1 A 39 39 GLU HA H 39 4.125 4.049 0.076 1
1 412 . 16 1 1 A 39 39 GLU C C 39 178.851 179.280 -0.429 1
1 413 . 16 1 1 A 39 39 GLU CA C 39 59.257 59.433 -0.176 1
1 414 . 16 1 1 A 39 39 GLU CB C 39 29.806 29.173 0.633 1
1 416 . 16 1 1 A 39 39 GLU N N 39 119.614 118.932 0.682 1
1 417 . 16 1 1 A 40 40 LEU H H 40 8.251 8.250 0.001 1
1 418 . 16 1 1 A 40 40 LEU HA H 40 4.149 4.051 0.098 1
1 428 . 16 1 1 A 40 40 LEU C C 40 178.939 179.554 -0.615 1
1 429 . 16 1 1 A 40 40 LEU CA C 40 57.625 57.763 -0.138 1
1 430 . 16 1 1 A 40 40 LEU CB C 40 42.239 40.737 1.502 1
1 434 . 16 1 1 A 40 40 LEU N N 40 121.912 120.215 1.697 1
1 435 . 16 1 1 A 41 41 ALA H H 41 8.449 7.600 0.849 1
1 436 . 16 1 1 A 41 41 ALA HA H 41 3.629 4.090 -0.461 1
1 440 . 16 1 1 A 41 41 ALA C C 41 179.199 179.321 -0.122 1
1 441 . 16 1 1 A 41 41 ALA CA C 41 56.202 54.906 1.296 1
1 442 . 16 1 1 A 41 41 ALA CB C 41 17.819 18.091 -0.272 1
1 443 . 16 1 1 A 41 41 ALA N N 41 120.020 122.041 -2.021 1
1 444 . 16 1 1 A 42 42 ALA H H 42 7.800 7.977 -0.177 1
1 445 . 16 1 1 A 42 42 ALA HA H 42 4.240 4.302 -0.062 1
1 449 . 16 1 1 A 42 42 ALA C C 42 181.146 179.891 1.255 1
1 450 . 16 1 1 A 42 42 ALA CA C 42 54.991 54.526 0.465 1
1 451 . 16 1 1 A 42 42 ALA CB C 42 17.983 18.954 -0.971 1
1 452 . 16 1 1 A 42 42 ALA N N 42 118.414 119.863 -1.449 1
1 453 . 16 1 1 A 43 43 SER H H 43 8.172 8.434 -0.262 1
1 454 . 16 1 1 A 43 43 SER HA H 43 4.314 4.288 0.026 1
1 457 . 16 1 1 A 43 43 SER C C 43 175.817 176.197 -0.380 1
1 458 . 16 1 1 A 43 43 SER CA C 43 61.138 62.342 -1.204 1
1 459 . 16 1 1 A 43 43 SER CB C 43 63.341 63.534 -0.193 1
1 460 . 16 1 1 A 43 43 SER N N 43 113.508 115.103 -1.595 1
1 461 . 16 1 1 A 44 44 LEU H H 44 7.701 7.833 -0.132 1
1 462 . 16 1 1 A 44 44 LEU HA H 44 4.662 4.048 0.614 1
1 472 . 16 1 1 A 44 44 LEU C C 44 177.588 176.921 0.667 1
1 473 . 16 1 1 A 44 44 LEU CA C 44 54.556 55.361 -0.805 1
1 474 . 16 1 1 A 44 44 LEU CB C 44 44.134 42.375 1.759 1
1 478 . 16 1 1 A 44 44 LEU N N 44 117.384 118.325 -0.941 1
1 479 . 16 1 1 A 45 45 GLY H H 45 7.971 8.018 -0.047 1
1 480 . 16 1 1 A 45 45 GLY HA2 H 45 4.130 3.930 0.200 1
1 481 . 16 1 1 A 45 45 GLY HA3 H 45 3.991 3.950 0.041 1
1 482 . 16 1 1 A 45 45 GLY C C 45 174.538 174.345 0.193 1
1 483 . 16 1 1 A 45 45 GLY CA C 45 46.623 45.801 0.822 1
1 484 . 16 1 1 A 45 45 GLY N N 45 110.156 107.090 3.066 1
1 485 . 16 1 1 A 46 46 LEU H H 46 8.012 7.982 0.030 1
1 486 . 16 1 1 A 46 46 LEU HA H 46 4.914 4.769 0.145 1
1 496 . 16 1 1 A 46 46 LEU C C 46 176.613 175.663 0.950 1
1 497 . 16 1 1 A 46 46 LEU CA C 46 52.652 53.538 -0.886 1
1 498 . 16 1 1 A 46 46 LEU CB C 46 46.882 42.801 4.081 1
1 502 . 16 1 1 A 46 46 LEU N N 46 119.755 121.739 -1.984 1
1 503 . 16 1 1 A 47 47 THR H H 47 8.846 8.376 0.470 1
1 504 . 16 1 1 A 47 47 THR HA H 47 4.681 4.843 -0.162 1
1 509 . 16 1 1 A 47 47 THR C C 47 176.869 175.523 1.346 1
1 510 . 16 1 1 A 47 47 THR CA C 47 60.326 59.386 0.940 1
1 511 . 16 1 1 A 47 47 THR CB C 47 70.720 70.786 -0.066 1
1 513 . 16 1 1 A 47 47 THR N N 47 109.908 113.967 -4.059 1
1 514 . 16 1 1 A 48 48 GLN H H 48 9.324 9.141 0.183 1
1 515 . 16 1 1 A 48 48 GLN HA H 48 3.708 3.947 -0.239 1
1 522 . 16 1 1 A 48 48 GLN C C 48 178.548 177.910 0.638 1
1 523 . 16 1 1 A 48 48 GLN CA C 48 60.839 59.643 1.196 1
1 524 . 16 1 1 A 48 48 GLN CB C 48 27.998 28.234 -0.236 1
1 526 . 16 1 1 A 48 48 GLN N N 48 120.589 127.151 -6.562 1
1 528 . 16 1 1 A 49 49 THR H H 49 8.172 7.946 0.226 1
1 529 . 16 1 1 A 49 49 THR HA H 49 3.908 4.023 -0.115 1
1 534 . 16 1 1 A 49 49 THR CA C 49 66.920 66.094 0.826 1
1 535 . 16 1 1 A 49 49 THR CB C 49 68.671 68.606 0.065 1
1 537 . 16 1 1 A 49 49 THR N N 49 115.925 117.584 -1.659 1
1 538 . 16 1 1 A 50 50 GLN H H 50 8.005 8.274 -0.269 1
1 539 . 16 1 1 A 50 50 GLN HA H 50 4.049 4.404 -0.355 1
1 546 . 16 1 1 A 50 50 GLN C C 50 180.191 178.276 1.915 1
1 547 . 16 1 1 A 50 50 GLN CA C 50 59.633 58.129 1.504 1
1 548 . 16 1 1 A 50 50 GLN CB C 50 28.965 29.710 -0.745 1
1 550 . 16 1 1 A 50 50 GLN N N 50 120.680 120.317 0.363 1
1 552 . 16 1 1 A 51 51 VAL H H 51 7.759 8.283 -0.524 1
1 553 . 16 1 1 A 51 51 VAL HA H 51 3.754 3.839 -0.085 1
1 561 . 16 1 1 A 51 51 VAL C C 51 176.534 178.343 -1.809 1
1 562 . 16 1 1 A 51 51 VAL CA C 51 67.618 66.757 0.861 1
1 563 . 16 1 1 A 51 51 VAL CB C 51 32.052 31.492 0.560 1
1 566 . 16 1 1 A 51 51 VAL N N 51 119.814 120.435 -0.621 1
1 567 . 16 1 1 A 52 52 LYS H H 52 8.504 7.936 0.568 1
1 568 . 16 1 1 A 52 52 LYS HA H 52 4.301 4.159 0.142 1
1 577 . 16 1 1 A 52 52 LYS C C 52 179.918 179.743 0.175 1
1 578 . 16 1 1 A 52 52 LYS CA C 52 60.046 59.438 0.608 1
1 579 . 16 1 1 A 52 52 LYS CB C 52 33.392 32.446 0.946 1
1 583 . 16 1 1 A 52 52 LYS N N 52 121.422 119.423 1.999 1
1 584 . 16 1 1 A 53 53 ILE H H 53 8.775 8.125 0.650 1
1 585 . 16 1 1 A 53 53 ILE HA H 53 3.866 3.756 0.110 1
1 595 . 16 1 1 A 53 53 ILE C C 53 177.447 178.654 -1.207 1
1 596 . 16 1 1 A 53 53 ILE CA C 53 64.285 65.094 -0.809 1
1 597 . 16 1 1 A 53 53 ILE CB C 53 38.066 37.640 0.426 1
1 601 . 16 1 1 A 53 53 ILE N N 53 119.411 119.760 -0.349 1
1 602 . 16 1 1 A 54 54 TRP H H 54 8.052 8.164 -0.112 1
1 603 . 16 1 1 A 54 54 TRP HA H 54 4.005 4.166 -0.161 1
1 612 . 16 1 1 A 54 54 TRP C C 54 179.712 178.148 1.564 1
1 613 . 16 1 1 A 54 54 TRP CA C 54 63.406 61.364 2.042 1
1 614 . 16 1 1 A 54 54 TRP CB C 54 28.935 29.365 -0.430 1
1 620 . 16 1 1 A 54 54 TRP N N 54 122.233 122.139 0.094 1
1 622 . 16 1 1 A 55 55 PHE H H 55 8.720 8.202 0.518 1
1 623 . 16 1 1 A 55 55 PHE HA H 55 3.786 4.268 -0.482 1
1 631 . 16 1 1 A 55 55 PHE C C 55 177.753 177.988 -0.235 1
1 632 . 16 1 1 A 55 55 PHE CA C 55 63.194 61.911 1.283 1
1 633 . 16 1 1 A 55 55 PHE CB C 55 39.739 38.691 1.048 1
1 639 . 16 1 1 A 55 55 PHE N N 55 118.671 117.964 0.707 1
1 640 . 16 1 1 A 56 56 GLN H H 56 8.294 8.390 -0.096 1
1 641 . 16 1 1 A 56 56 GLN HA H 56 3.952 4.021 -0.069 1
1 648 . 16 1 1 A 56 56 GLN C C 56 179.029 178.162 0.867 1
1 649 . 16 1 1 A 56 56 GLN CA C 56 59.414 58.796 0.618 1
1 650 . 16 1 1 A 56 56 GLN CB C 56 28.724 28.323 0.401 1
1 652 . 16 1 1 A 56 56 GLN N N 56 118.357 120.340 -1.983 1
1 654 . 16 1 1 A 57 57 ASN H H 57 8.580 8.201 0.379 1
1 655 . 16 1 1 A 57 57 ASN HA H 57 4.315 4.296 0.019 1
1 660 . 16 1 1 A 57 57 ASN C C 57 177.717 177.635 0.082 1
1 661 . 16 1 1 A 57 57 ASN CA C 57 55.541 56.251 -0.710 1
1 662 . 16 1 1 A 57 57 ASN CB C 57 37.796 37.803 -0.007 1
1 663 . 16 1 1 A 57 57 ASN N N 57 118.858 118.139 0.719 1
1 665 . 16 1 1 A 58 58 LYS H H 58 7.761 7.296 0.465 1
1 666 . 16 1 1 A 58 58 LYS HA H 58 3.416 3.451 -0.035 1
1 675 . 16 1 1 A 58 58 LYS C C 58 178.937 178.690 0.247 1
1 676 . 16 1 1 A 58 58 LYS CA C 58 57.292 59.236 -1.944 1
1 677 . 16 1 1 A 58 58 LYS CB C 58 30.746 31.410 -0.664 1
1 681 . 16 1 1 A 58 58 LYS N N 58 122.418 120.272 2.146 1
1 682 . 16 1 1 A 59 59 ARG H H 59 7.965 8.299 -0.334 1
1 683 . 16 1 1 A 59 59 ARG HA H 59 4.078 4.321 -0.243 1
1 690 . 16 1 1 A 59 59 ARG C C 59 178.804 177.482 1.322 1
1 691 . 16 1 1 A 59 59 ARG CA C 59 60.056 58.849 1.207 1
1 692 . 16 1 1 A 59 59 ARG CB C 59 31.573 30.040 1.533 1
1 695 . 16 1 1 A 59 59 ARG N N 59 116.992 120.204 -3.212 1
1 696 . 16 1 1 A 60 60 SER H H 60 7.733 8.186 -0.453 1
1 697 . 16 1 1 A 60 60 SER HA H 60 4.308 4.378 -0.070 1
1 700 . 16 1 1 A 60 60 SER C C 60 175.262 175.135 0.127 1
1 701 . 16 1 1 A 60 60 SER CA C 60 60.550 60.209 0.341 1
1 702 . 16 1 1 A 60 60 SER CB C 60 63.304 63.425 -0.121 1
1 703 . 16 1 1 A 60 60 SER N N 60 113.717 114.889 -1.172 1
1 704 . 16 1 1 A 61 61 LYS H H 61 7.622 7.561 0.061 1
1 705 . 16 1 1 A 61 61 LYS HA H 61 4.218 4.426 -0.208 1
1 714 . 16 1 1 A 61 61 LYS C C 61 177.402 175.723 1.679 1
1 715 . 16 1 1 A 61 61 LYS CA C 61 56.989 55.240 1.749 1
1 716 . 16 1 1 A 61 61 LYS CB C 61 32.486 32.834 -0.348 1
1 720 . 16 1 1 A 61 61 LYS N N 61 121.107 120.732 0.375 1
1 721 . 16 1 1 A 62 62 ILE H H 62 7.632 7.142 0.490 1
1 722 . 16 1 1 A 62 62 ILE HA H 62 4.074 4.054 0.020 1
1 732 . 16 1 1 A 62 62 ILE C C 62 176.614 176.360 0.254 1
1 733 . 16 1 1 A 62 62 ILE CA C 62 61.960 61.444 0.516 1
1 734 . 16 1 1 A 62 62 ILE CB C 62 38.231 37.415 0.816 1
1 738 . 16 1 1 A 62 62 ILE N N 62 119.268 122.122 -2.854 1
1 739 . 16 1 1 A 63 63 LYS H H 63 8.100 8.159 -0.059 1
1 740 . 16 1 1 A 63 63 LYS HA H 63 4.304 4.179 0.125 1
1 747 . 16 1 1 A 63 63 LYS C C 63 176.623 176.123 0.500 1
1 748 . 16 1 1 A 63 63 LYS CA C 63 56.672 57.422 -0.750 1
1 749 . 16 1 1 A 63 63 LYS CB C 63 32.898 33.073 -0.175 1
1 753 . 16 1 1 A 63 63 LYS N N 63 124.673 129.230 -4.557 1
1 754 . 16 1 1 A 64 64 LYS H H 64 8.272 8.703 -0.431 1
1 755 . 16 1 1 A 64 64 LYS C C 64 176.619 175.317 1.302 1
1 756 . 16 1 1 A 64 64 LYS CA C 64 56.531 56.299 0.232 1
1 757 . 16 1 1 A 64 64 LYS CB C 64 33.017 33.240 -0.223 1
1 758 . 16 1 1 A 64 64 LYS N N 64 122.722 129.149 -6.427 1
1 759 . 16 1 1 A 65 65 SER HA H 65 4.533 5.328 -0.795 1
1 762 . 16 1 1 A 65 65 SER C C 65 174.501 173.478 1.023 1
1 763 . 16 1 1 A 65 65 SER CA C 65 58.364 56.585 1.779 1
1 764 . 16 1 1 A 65 65 SER CB C 65 64.210 65.110 -0.900 1
1 765 . 16 1 1 A 66 66 GLY H H 66 8.264 7.740 0.524 1
1 766 . 16 1 1 A 66 66 GLY C C 66 171.884 173.771 -1.887 1
1 767 . 16 1 1 A 66 66 GLY CA C 66 44.719 46.153 -1.434 1
1 768 . 16 1 1 A 66 66 GLY N N 66 110.727 113.158 -2.431 1
1 772 . 16 1 1 A 67 67 PRO CA C 67 63.385 63.571 -0.186 1
1 773 . 16 1 1 A 67 67 PRO CB C 67 32.419 32.000 0.419 1
1 1 . 17 1 1 A 8 8 ARG HA H 8 4.360 3.919 0.441 1
1 8 . 17 1 1 A 8 8 ARG C C 8 176.260 175.479 0.781 1
1 9 . 17 1 1 A 8 8 ARG CA C 8 55.966 57.140 -1.174 1
1 10 . 17 1 1 A 8 8 ARG CB C 8 30.838 28.944 1.894 1
1 13 . 17 1 1 A 9 9 LYS H H 9 8.400 7.757 0.643 1
1 14 . 17 1 1 A 9 9 LYS C C 9 174.555 176.151 -1.596 1
1 15 . 17 1 1 A 9 9 LYS CA C 9 54.274 54.492 -0.218 1
1 16 . 17 1 1 A 9 9 LYS CB C 9 32.440 33.126 -0.686 1
1 17 . 17 1 1 A 9 9 LYS N N 9 124.470 115.615 8.855 1
1 18 . 17 1 1 A 10 10 PRO HA H 10 4.441 4.440 0.001 1
1 25 . 17 1 1 A 10 10 PRO C C 10 176.789 177.447 -0.658 1
1 26 . 17 1 1 A 10 10 PRO CA C 10 63.088 64.671 -1.583 1
1 27 . 17 1 1 A 10 10 PRO CB C 10 32.156 32.087 0.069 1
1 30 . 17 1 1 A 11 11 ARG H H 11 8.471 8.134 0.337 1
1 31 . 17 1 1 A 11 11 ARG HA H 11 4.370 4.515 -0.145 1
1 36 . 17 1 1 A 11 11 ARG C C 11 176.400 176.097 0.303 1
1 37 . 17 1 1 A 11 11 ARG CA C 11 56.439 55.121 1.318 1
1 38 . 17 1 1 A 11 11 ARG CB C 11 30.710 29.770 0.940 1
1 40 . 17 1 1 A 11 11 ARG N N 11 121.881 117.199 4.682 1
1 41 . 17 1 1 A 12 12 THR HA H 12 4.270 4.274 -0.004 1
1 46 . 17 1 1 A 12 12 THR C C 12 173.737 176.100 -2.363 1
1 47 . 17 1 1 A 12 12 THR CA C 12 62.101 63.828 -1.727 1
1 48 . 17 1 1 A 12 12 THR CB C 12 69.896 69.928 -0.032 1
1 50 . 17 1 1 A 13 13 ILE H H 13 8.215 8.738 -0.523 1
1 51 . 17 1 1 A 13 13 ILE HA H 13 4.063 3.846 0.217 1
1 61 . 17 1 1 A 13 13 ILE C C 13 175.361 175.810 -0.449 1
1 62 . 17 1 1 A 13 13 ILE CA C 13 61.109 63.876 -2.767 1
1 63 . 17 1 1 A 13 13 ILE CB C 13 38.748 38.092 0.656 1
1 67 . 17 1 1 A 13 13 ILE N N 13 124.648 124.310 0.338 1
1 68 . 17 1 1 A 14 14 TYR H H 14 7.928 7.869 0.059 1
1 69 . 17 1 1 A 14 14 TYR HA H 14 4.923 5.294 -0.371 1
1 76 . 17 1 1 A 14 14 TYR C C 14 176.009 175.530 0.479 1
1 77 . 17 1 1 A 14 14 TYR CA C 14 56.425 56.975 -0.550 1
1 78 . 17 1 1 A 14 14 TYR CB C 14 39.984 42.617 -2.633 1
1 83 . 17 1 1 A 14 14 TYR N N 14 122.287 119.716 2.571 1
1 84 . 17 1 1 A 15 15 SER H H 15 9.368 8.397 0.971 1
1 85 . 17 1 1 A 15 15 SER HA H 15 4.639 4.613 0.026 1
1 88 . 17 1 1 A 15 15 SER C C 15 175.065 176.280 -1.215 1
1 89 . 17 1 1 A 15 15 SER CA C 15 56.918 59.284 -2.366 1
1 90 . 17 1 1 A 15 15 SER CB C 15 65.646 63.653 1.993 1
1 91 . 17 1 1 A 15 15 SER N N 15 119.482 121.804 -2.322 1
1 92 . 17 1 1 A 16 16 SER HA H 16 4.181 4.136 0.045 1
1 95 . 17 1 1 A 16 16 SER CA C 16 62.192 62.349 -0.157 1
1 96 . 17 1 1 A 16 16 SER CB C 16 62.188 62.317 -0.129 1
1 97 . 17 1 1 A 17 17 PHE H H 17 7.815 8.242 -0.427 1
1 98 . 17 1 1 A 17 17 PHE HA H 17 4.313 4.003 0.310 1
1 106 . 17 1 1 A 17 17 PHE C C 17 177.979 177.461 0.518 1
1 107 . 17 1 1 A 17 17 PHE CA C 17 60.981 61.715 -0.734 1
1 108 . 17 1 1 A 17 17 PHE CB C 17 39.519 39.072 0.447 1
1 114 . 17 1 1 A 17 17 PHE N N 17 119.320 122.628 -3.308 1
1 115 . 17 1 1 A 18 18 GLN H H 18 7.816 8.381 -0.565 1
1 116 . 17 1 1 A 18 18 GLN HA H 18 3.720 3.900 -0.180 1
1 123 . 17 1 1 A 18 18 GLN C C 18 177.456 178.930 -1.474 1
1 124 . 17 1 1 A 18 18 GLN CA C 18 58.902 58.914 -0.012 1
1 125 . 17 1 1 A 18 18 GLN CB C 18 28.118 28.282 -0.164 1
1 127 . 17 1 1 A 18 18 GLN N N 18 119.339 118.252 1.087 1
1 129 . 17 1 1 A 19 19 LEU H H 19 8.583 8.598 -0.015 1
1 130 . 17 1 1 A 19 19 LEU HA H 19 3.570 3.781 -0.211 1
1 140 . 17 1 1 A 19 19 LEU C C 19 178.761 178.760 0.001 1
1 141 . 17 1 1 A 19 19 LEU CA C 19 57.837 57.884 -0.047 1
1 142 . 17 1 1 A 19 19 LEU CB C 19 41.883 42.247 -0.364 1
1 146 . 17 1 1 A 19 19 LEU N N 19 117.368 120.421 -3.053 1
1 147 . 17 1 1 A 20 20 ALA H H 20 7.918 8.713 -0.795 1
1 148 . 17 1 1 A 20 20 ALA HA H 20 4.019 3.980 0.039 1
1 152 . 17 1 1 A 20 20 ALA C C 20 180.256 179.593 0.663 1
1 153 . 17 1 1 A 20 20 ALA CA C 20 54.944 55.659 -0.715 1
1 154 . 17 1 1 A 20 20 ALA CB C 20 17.731 18.643 -0.912 1
1 155 . 17 1 1 A 20 20 ALA N N 20 120.010 120.876 -0.866 1
1 156 . 17 1 1 A 21 21 ALA H H 21 7.313 7.264 0.049 1
1 157 . 17 1 1 A 21 21 ALA HA H 21 3.945 3.974 -0.029 1
1 161 . 17 1 1 A 21 21 ALA C C 21 181.088 179.416 1.672 1
1 162 . 17 1 1 A 21 21 ALA CA C 21 54.749 54.822 -0.073 1
1 163 . 17 1 1 A 21 21 ALA CB C 21 19.723 18.393 1.330 1
1 164 . 17 1 1 A 21 21 ALA N N 21 120.493 120.439 0.054 1
1 165 . 17 1 1 A 22 22 LEU H H 22 8.049 8.186 -0.137 1
1 166 . 17 1 1 A 22 22 LEU HA H 22 3.507 3.719 -0.212 1
1 176 . 17 1 1 A 22 22 LEU C C 22 177.768 178.611 -0.843 1
1 177 . 17 1 1 A 22 22 LEU CA C 22 58.418 57.746 0.672 1
1 178 . 17 1 1 A 22 22 LEU CB C 22 38.280 40.998 -2.718 1
1 182 . 17 1 1 A 22 22 LEU N N 22 121.618 118.285 3.333 1
1 183 . 17 1 1 A 23 23 GLN H H 23 8.047 8.357 -0.310 1
1 184 . 17 1 1 A 23 23 GLN HA H 23 4.042 3.979 0.063 1
1 191 . 17 1 1 A 23 23 GLN C C 23 178.945 178.869 0.076 1
1 192 . 17 1 1 A 23 23 GLN CA C 23 59.172 59.233 -0.061 1
1 193 . 17 1 1 A 23 23 GLN CB C 23 28.225 28.508 -0.283 1
1 195 . 17 1 1 A 23 23 GLN N N 23 117.012 117.182 -0.170 1
1 197 . 17 1 1 A 24 24 ARG H H 24 7.956 7.779 0.177 1
1 198 . 17 1 1 A 24 24 ARG HA H 24 4.098 3.996 0.102 1
1 205 . 17 1 1 A 24 24 ARG C C 24 179.440 178.474 0.966 1
1 206 . 17 1 1 A 24 24 ARG CA C 24 59.443 59.053 0.390 1
1 207 . 17 1 1 A 24 24 ARG CB C 24 30.290 29.764 0.526 1
1 210 . 17 1 1 A 24 24 ARG N N 24 118.511 120.641 -2.130 1
1 211 . 17 1 1 A 25 25 ARG H H 25 7.768 8.069 -0.301 1
1 212 . 17 1 1 A 25 25 ARG HA H 25 4.380 4.034 0.346 1
1 219 . 17 1 1 A 25 25 ARG C C 25 177.933 178.386 -0.453 1
1 220 . 17 1 1 A 25 25 ARG CA C 25 56.993 59.064 -2.071 1
1 221 . 17 1 1 A 25 25 ARG CB C 25 28.118 30.173 -2.055 1
1 224 . 17 1 1 A 25 25 ARG N N 25 119.018 119.533 -0.515 1
1 225 . 17 1 1 A 26 26 PHE H H 26 8.739 8.116 0.623 1
1 226 . 17 1 1 A 26 26 PHE HA H 26 4.680 4.474 0.206 1
1 234 . 17 1 1 A 26 26 PHE C C 26 175.842 177.330 -1.488 1
1 235 . 17 1 1 A 26 26 PHE CA C 26 60.339 61.556 -1.217 1
1 236 . 17 1 1 A 26 26 PHE CB C 26 39.477 39.118 0.359 1
1 242 . 17 1 1 A 26 26 PHE N N 26 121.838 120.537 1.301 1
1 243 . 17 1 1 A 27 27 GLN H H 27 7.712 8.358 -0.646 1
1 244 . 17 1 1 A 27 27 GLN HA H 27 3.979 3.883 0.096 1
1 251 . 17 1 1 A 27 27 GLN C C 27 177.336 178.386 -1.050 1
1 252 . 17 1 1 A 27 27 GLN CA C 27 57.877 59.343 -1.466 1
1 253 . 17 1 1 A 27 27 GLN CB C 27 28.809 28.021 0.788 1
1 255 . 17 1 1 A 27 27 GLN N N 27 113.533 118.026 -4.493 1
1 257 . 17 1 1 A 28 28 LYS H H 28 7.469 7.493 -0.024 1
1 258 . 17 1 1 A 28 28 LYS HA H 28 4.316 4.098 0.218 1
1 267 . 17 1 1 A 28 28 LYS C C 28 177.011 175.943 1.068 1
1 268 . 17 1 1 A 28 28 LYS CA C 28 57.805 58.636 -0.831 1
1 269 . 17 1 1 A 28 28 LYS CB C 28 33.639 33.363 0.276 1
1 273 . 17 1 1 A 28 28 LYS N N 28 117.851 119.310 -1.459 1
1 274 . 17 1 1 A 29 29 THR H H 29 8.373 7.315 1.058 1
1 275 . 17 1 1 A 29 29 THR HA H 29 4.457 4.545 -0.088 1
1 280 . 17 1 1 A 29 29 THR C C 29 171.650 173.598 -1.948 1
1 281 . 17 1 1 A 29 29 THR CA C 29 59.598 60.129 -0.531 1
1 282 . 17 1 1 A 29 29 THR CB C 29 70.546 70.867 -0.321 1
1 284 . 17 1 1 A 29 29 THR N N 29 113.944 111.650 2.294 1
1 285 . 17 1 1 A 30 30 GLN H H 30 8.210 8.434 -0.224 1
1 286 . 17 1 1 A 30 30 GLN HA H 30 3.863 3.359 0.504 1
1 293 . 17 1 1 A 30 30 GLN C C 30 174.111 175.741 -1.630 1
1 294 . 17 1 1 A 30 30 GLN CA C 30 56.868 57.786 -0.918 1
1 295 . 17 1 1 A 30 30 GLN CB C 30 27.841 29.732 -1.891 1
1 297 . 17 1 1 A 30 30 GLN N N 30 121.138 124.208 -3.070 1
1 299 . 17 1 1 A 31 31 TYR H H 31 7.532 7.553 -0.021 1
1 300 . 17 1 1 A 31 31 TYR HA H 31 4.700 5.177 -0.477 1
1 307 . 17 1 1 A 31 31 TYR C C 31 174.485 175.070 -0.585 1
1 308 . 17 1 1 A 31 31 TYR CA C 31 56.954 57.176 -0.222 1
1 309 . 17 1 1 A 31 31 TYR CB C 31 41.374 41.116 0.258 1
1 314 . 17 1 1 A 31 31 TYR N N 31 114.987 116.762 -1.775 1
1 315 . 17 1 1 A 32 32 LEU H H 32 8.382 8.709 -0.327 1
1 316 . 17 1 1 A 32 32 LEU HA H 32 4.486 4.842 -0.356 1
1 326 . 17 1 1 A 32 32 LEU C C 32 176.526 176.529 -0.003 1
1 327 . 17 1 1 A 32 32 LEU CA C 32 53.216 53.410 -0.194 1
1 328 . 17 1 1 A 32 32 LEU CB C 32 44.134 45.266 -1.132 1
1 332 . 17 1 1 A 32 32 LEU N N 32 123.429 121.618 1.811 1
1 333 . 17 1 1 A 33 33 ALA H H 33 8.805 8.756 0.049 1
1 334 . 17 1 1 A 33 33 ALA HA H 33 4.469 4.418 0.051 1
1 338 . 17 1 1 A 33 33 ALA C C 33 178.230 177.648 0.582 1
1 339 . 17 1 1 A 33 33 ALA CA C 33 51.183 52.052 -0.869 1
1 340 . 17 1 1 A 33 33 ALA CB C 33 19.852 20.163 -0.311 1
1 341 . 17 1 1 A 33 33 ALA N N 33 126.131 127.282 -1.151 1
1 342 . 17 1 1 A 34 34 LEU H H 34 8.898 8.744 0.154 1
1 343 . 17 1 1 A 34 34 LEU HA H 34 4.088 4.045 0.043 1
1 353 . 17 1 1 A 34 34 LEU C C 34 178.245 175.519 2.726 1
1 354 . 17 1 1 A 34 34 LEU CA C 34 60.712 59.505 1.207 1
1 355 . 17 1 1 A 34 34 LEU CB C 34 39.135 40.633 -1.498 1
1 359 . 17 1 1 A 34 34 LEU N N 34 122.061 120.586 1.475 1
1 360 . 17 1 1 A 35 35 PRO HA H 35 4.378 4.394 -0.016 1
1 367 . 17 1 1 A 35 35 PRO C C 35 179.888 178.379 1.509 1
1 368 . 17 1 1 A 35 35 PRO CA C 35 65.894 64.978 0.916 1
1 369 . 17 1 1 A 35 35 PRO CB C 35 30.618 31.305 -0.687 1
1 372 . 17 1 1 A 36 36 GLU H H 36 6.984 8.541 -1.557 1
1 373 . 17 1 1 A 36 36 GLU HA H 36 4.192 4.078 0.114 1
1 378 . 17 1 1 A 36 36 GLU C C 36 179.230 179.142 0.088 1
1 379 . 17 1 1 A 36 36 GLU CA C 36 58.631 59.598 -0.967 1
1 380 . 17 1 1 A 36 36 GLU CB C 36 30.290 29.514 0.776 1
1 382 . 17 1 1 A 36 36 GLU N N 36 116.910 117.520 -0.610 1
1 383 . 17 1 1 A 37 37 ARG H H 37 8.489 8.162 0.327 1
1 384 . 17 1 1 A 37 37 ARG HA H 37 3.741 3.860 -0.119 1
1 391 . 17 1 1 A 37 37 ARG C C 37 177.835 177.950 -0.115 1
1 392 . 17 1 1 A 37 37 ARG CA C 37 60.076 59.175 0.901 1
1 393 . 17 1 1 A 37 37 ARG CB C 37 30.775 29.805 0.970 1
1 396 . 17 1 1 A 37 37 ARG N N 37 121.545 120.748 0.797 1
1 397 . 17 1 1 A 38 38 ALA H H 38 8.308 7.827 0.481 1
1 398 . 17 1 1 A 38 38 ALA HA H 38 3.941 4.018 -0.077 1
1 402 . 17 1 1 A 38 38 ALA C C 38 180.311 179.205 1.106 1
1 403 . 17 1 1 A 38 38 ALA CA C 38 55.446 55.035 0.411 1
1 404 . 17 1 1 A 38 38 ALA CB C 38 18.082 18.471 -0.389 1
1 405 . 17 1 1 A 38 38 ALA N N 38 120.571 120.899 -0.328 1
1 406 . 17 1 1 A 39 39 GLU H H 39 7.819 8.252 -0.433 1
1 407 . 17 1 1 A 39 39 GLU HA H 39 4.125 4.019 0.106 1
1 412 . 17 1 1 A 39 39 GLU C C 39 178.851 179.301 -0.450 1
1 413 . 17 1 1 A 39 39 GLU CA C 39 59.257 59.484 -0.227 1
1 414 . 17 1 1 A 39 39 GLU CB C 39 29.806 29.311 0.495 1
1 416 . 17 1 1 A 39 39 GLU N N 39 119.614 119.005 0.609 1
1 417 . 17 1 1 A 40 40 LEU H H 40 8.251 7.802 0.449 1
1 418 . 17 1 1 A 40 40 LEU HA H 40 4.149 4.050 0.099 1
1 428 . 17 1 1 A 40 40 LEU C C 40 178.939 179.443 -0.504 1
1 429 . 17 1 1 A 40 40 LEU CA C 40 57.625 57.873 -0.248 1
1 430 . 17 1 1 A 40 40 LEU CB C 40 42.239 40.775 1.464 1
1 434 . 17 1 1 A 40 40 LEU N N 40 121.912 119.794 2.118 1
1 435 . 17 1 1 A 41 41 ALA H H 41 8.449 7.633 0.816 1
1 436 . 17 1 1 A 41 41 ALA HA H 41 3.629 4.115 -0.486 1
1 440 . 17 1 1 A 41 41 ALA C C 41 179.199 179.446 -0.247 1
1 441 . 17 1 1 A 41 41 ALA CA C 41 56.202 55.047 1.155 1
1 442 . 17 1 1 A 41 41 ALA CB C 41 17.819 18.137 -0.318 1
1 443 . 17 1 1 A 41 41 ALA N N 41 120.020 122.211 -2.191 1
1 444 . 17 1 1 A 42 42 ALA H H 42 7.800 8.064 -0.264 1
1 445 . 17 1 1 A 42 42 ALA HA H 42 4.240 4.250 -0.010 1
1 449 . 17 1 1 A 42 42 ALA C C 42 181.146 179.376 1.770 1
1 450 . 17 1 1 A 42 42 ALA CA C 42 54.991 53.550 1.441 1
1 451 . 17 1 1 A 42 42 ALA CB C 42 17.983 19.107 -1.124 1
1 452 . 17 1 1 A 42 42 ALA N N 42 118.414 119.800 -1.386 1
1 453 . 17 1 1 A 43 43 SER H H 43 8.172 8.085 0.087 1
1 454 . 17 1 1 A 43 43 SER HA H 43 4.314 4.406 -0.092 1
1 457 . 17 1 1 A 43 43 SER C C 43 175.817 177.083 -1.266 1
1 458 . 17 1 1 A 43 43 SER CA C 43 61.138 61.357 -0.219 1
1 459 . 17 1 1 A 43 43 SER CB C 43 63.341 63.260 0.081 1
1 460 . 17 1 1 A 43 43 SER N N 43 113.508 113.454 0.054 1
1 461 . 17 1 1 A 44 44 LEU H H 44 7.701 7.873 -0.172 1
1 462 . 17 1 1 A 44 44 LEU HA H 44 4.662 4.381 0.281 1
1 472 . 17 1 1 A 44 44 LEU C C 44 177.588 176.942 0.646 1
1 473 . 17 1 1 A 44 44 LEU CA C 44 54.556 55.583 -1.027 1
1 474 . 17 1 1 A 44 44 LEU CB C 44 44.134 42.553 1.581 1
1 478 . 17 1 1 A 44 44 LEU N N 44 117.384 119.027 -1.643 1
1 479 . 17 1 1 A 45 45 GLY H H 45 7.971 8.027 -0.056 1
1 480 . 17 1 1 A 45 45 GLY HA2 H 45 4.130 3.960 0.170 1
1 481 . 17 1 1 A 45 45 GLY HA3 H 45 3.991 3.965 0.026 1
1 482 . 17 1 1 A 45 45 GLY C C 45 174.538 174.351 0.187 1
1 483 . 17 1 1 A 45 45 GLY CA C 45 46.623 45.571 1.052 1
1 484 . 17 1 1 A 45 45 GLY N N 45 110.156 106.244 3.912 1
1 485 . 17 1 1 A 46 46 LEU H H 46 8.012 8.023 -0.011 1
1 486 . 17 1 1 A 46 46 LEU HA H 46 4.914 4.788 0.126 1
1 496 . 17 1 1 A 46 46 LEU C C 46 176.613 175.579 1.034 1
1 497 . 17 1 1 A 46 46 LEU CA C 46 52.652 53.447 -0.795 1
1 498 . 17 1 1 A 46 46 LEU CB C 46 46.882 42.865 4.017 1
1 502 . 17 1 1 A 46 46 LEU N N 46 119.755 121.415 -1.660 1
1 503 . 17 1 1 A 47 47 THR H H 47 8.846 8.332 0.514 1
1 504 . 17 1 1 A 47 47 THR HA H 47 4.681 4.817 -0.136 1
1 509 . 17 1 1 A 47 47 THR C C 47 176.869 175.523 1.346 1
1 510 . 17 1 1 A 47 47 THR CA C 47 60.326 59.720 0.606 1
1 511 . 17 1 1 A 47 47 THR CB C 47 70.720 70.839 -0.119 1
1 513 . 17 1 1 A 47 47 THR N N 47 109.908 114.085 -4.177 1
1 514 . 17 1 1 A 48 48 GLN H H 48 9.324 9.039 0.285 1
1 515 . 17 1 1 A 48 48 GLN HA H 48 3.708 4.017 -0.309 1
1 522 . 17 1 1 A 48 48 GLN C C 48 178.548 177.980 0.568 1
1 523 . 17 1 1 A 48 48 GLN CA C 48 60.839 59.113 1.726 1
1 524 . 17 1 1 A 48 48 GLN CB C 48 27.998 28.258 -0.260 1
1 526 . 17 1 1 A 48 48 GLN N N 48 120.589 127.639 -7.050 1
1 528 . 17 1 1 A 49 49 THR H H 49 8.172 7.356 0.816 1
1 529 . 17 1 1 A 49 49 THR HA H 49 3.908 4.202 -0.294 1
1 534 . 17 1 1 A 49 49 THR CA C 49 66.920 65.687 1.233 1
1 535 . 17 1 1 A 49 49 THR CB C 49 68.671 68.681 -0.010 1
1 537 . 17 1 1 A 49 49 THR N N 49 115.925 116.976 -1.051 1
1 538 . 17 1 1 A 50 50 GLN H H 50 8.005 8.219 -0.214 1
1 539 . 17 1 1 A 50 50 GLN HA H 50 4.049 4.328 -0.279 1
1 546 . 17 1 1 A 50 50 GLN C C 50 180.191 178.066 2.125 1
1 547 . 17 1 1 A 50 50 GLN CA C 50 59.633 58.266 1.367 1
1 548 . 17 1 1 A 50 50 GLN CB C 50 28.965 29.379 -0.414 1
1 550 . 17 1 1 A 50 50 GLN N N 50 120.680 120.362 0.318 1
1 552 . 17 1 1 A 51 51 VAL H H 51 7.759 7.997 -0.238 1
1 553 . 17 1 1 A 51 51 VAL HA H 51 3.754 3.792 -0.038 1
1 561 . 17 1 1 A 51 51 VAL C C 51 176.534 178.584 -2.050 1
1 562 . 17 1 1 A 51 51 VAL CA C 51 67.618 66.850 0.768 1
1 563 . 17 1 1 A 51 51 VAL CB C 51 32.052 31.613 0.439 1
1 566 . 17 1 1 A 51 51 VAL N N 51 119.814 120.777 -0.963 1
1 567 . 17 1 1 A 52 52 LYS H H 52 8.504 7.574 0.930 1
1 568 . 17 1 1 A 52 52 LYS HA H 52 4.301 4.056 0.245 1
1 577 . 17 1 1 A 52 52 LYS C C 52 179.918 179.774 0.144 1
1 578 . 17 1 1 A 52 52 LYS CA C 52 60.046 59.399 0.647 1
1 579 . 17 1 1 A 52 52 LYS CB C 52 33.392 32.408 0.984 1
1 583 . 17 1 1 A 52 52 LYS N N 52 121.422 119.211 2.211 1
1 584 . 17 1 1 A 53 53 ILE H H 53 8.775 7.779 0.996 1
1 585 . 17 1 1 A 53 53 ILE HA H 53 3.866 3.859 0.007 1
1 595 . 17 1 1 A 53 53 ILE C C 53 177.447 178.504 -1.057 1
1 596 . 17 1 1 A 53 53 ILE CA C 53 64.285 64.743 -0.458 1
1 597 . 17 1 1 A 53 53 ILE CB C 53 38.066 37.540 0.526 1
1 601 . 17 1 1 A 53 53 ILE N N 53 119.411 120.209 -0.798 1
1 602 . 17 1 1 A 54 54 TRP H H 54 8.052 8.064 -0.012 1
1 603 . 17 1 1 A 54 54 TRP HA H 54 4.005 4.274 -0.269 1
1 612 . 17 1 1 A 54 54 TRP C C 54 179.712 178.029 1.683 1
1 613 . 17 1 1 A 54 54 TRP CA C 54 63.406 61.446 1.960 1
1 614 . 17 1 1 A 54 54 TRP CB C 54 28.935 29.692 -0.757 1
1 620 . 17 1 1 A 54 54 TRP N N 54 122.233 123.087 -0.854 1
1 622 . 17 1 1 A 55 55 PHE H H 55 8.720 8.516 0.204 1
1 623 . 17 1 1 A 55 55 PHE HA H 55 3.786 4.363 -0.577 1
1 631 . 17 1 1 A 55 55 PHE C C 55 177.753 178.096 -0.343 1
1 632 . 17 1 1 A 55 55 PHE CA C 55 63.194 62.197 0.997 1
1 633 . 17 1 1 A 55 55 PHE CB C 55 39.739 38.784 0.955 1
1 639 . 17 1 1 A 55 55 PHE N N 55 118.671 117.907 0.764 1
1 640 . 17 1 1 A 56 56 GLN H H 56 8.294 9.034 -0.740 1
1 641 . 17 1 1 A 56 56 GLN HA H 56 3.952 3.848 0.104 1
1 648 . 17 1 1 A 56 56 GLN C C 56 179.029 177.905 1.124 1
1 649 . 17 1 1 A 56 56 GLN CA C 56 59.414 58.541 0.873 1
1 650 . 17 1 1 A 56 56 GLN CB C 56 28.724 28.151 0.573 1
1 652 . 17 1 1 A 56 56 GLN N N 56 118.357 120.631 -2.274 1
1 654 . 17 1 1 A 57 57 ASN H H 57 8.580 8.273 0.307 1
1 655 . 17 1 1 A 57 57 ASN HA H 57 4.315 4.307 0.008 1
1 660 . 17 1 1 A 57 57 ASN C C 57 177.717 177.717 0.000 1
1 661 . 17 1 1 A 57 57 ASN CA C 57 55.541 56.321 -0.780 1
1 662 . 17 1 1 A 57 57 ASN CB C 57 37.796 37.569 0.227 1
1 663 . 17 1 1 A 57 57 ASN N N 57 118.858 117.931 0.927 1
1 665 . 17 1 1 A 58 58 LYS H H 58 7.761 7.656 0.105 1
1 666 . 17 1 1 A 58 58 LYS HA H 58 3.416 3.535 -0.119 1
1 675 . 17 1 1 A 58 58 LYS C C 58 178.937 178.621 0.316 1
1 676 . 17 1 1 A 58 58 LYS CA C 58 57.292 59.500 -2.208 1
1 677 . 17 1 1 A 58 58 LYS CB C 58 30.746 31.890 -1.144 1
1 681 . 17 1 1 A 58 58 LYS N N 58 122.418 120.519 1.899 1
1 682 . 17 1 1 A 59 59 ARG H H 59 7.965 8.094 -0.129 1
1 683 . 17 1 1 A 59 59 ARG HA H 59 4.078 4.170 -0.092 1
1 690 . 17 1 1 A 59 59 ARG C C 59 178.804 177.796 1.008 1
1 691 . 17 1 1 A 59 59 ARG CA C 59 60.056 58.782 1.274 1
1 692 . 17 1 1 A 59 59 ARG CB C 59 31.573 29.981 1.592 1
1 695 . 17 1 1 A 59 59 ARG N N 59 116.992 118.966 -1.974 1
1 696 . 17 1 1 A 60 60 SER H H 60 7.733 7.850 -0.117 1
1 697 . 17 1 1 A 60 60 SER HA H 60 4.308 4.335 -0.027 1
1 700 . 17 1 1 A 60 60 SER C C 60 175.262 176.324 -1.062 1
1 701 . 17 1 1 A 60 60 SER CA C 60 60.550 61.062 -0.512 1
1 702 . 17 1 1 A 60 60 SER CB C 60 63.304 63.146 0.158 1
1 703 . 17 1 1 A 60 60 SER N N 60 113.717 115.017 -1.300 1
1 704 . 17 1 1 A 61 61 LYS H H 61 7.622 7.941 -0.319 1
1 705 . 17 1 1 A 61 61 LYS HA H 61 4.218 4.241 -0.023 1
1 714 . 17 1 1 A 61 61 LYS C C 61 177.402 176.845 0.557 1
1 715 . 17 1 1 A 61 61 LYS CA C 61 56.989 58.172 -1.183 1
1 716 . 17 1 1 A 61 61 LYS CB C 61 32.486 32.235 0.251 1
1 720 . 17 1 1 A 61 61 LYS N N 61 121.107 116.682 4.425 1
1 721 . 17 1 1 A 62 62 ILE H H 62 7.632 7.446 0.186 1
1 722 . 17 1 1 A 62 62 ILE HA H 62 4.074 3.920 0.154 1
1 732 . 17 1 1 A 62 62 ILE C C 62 176.614 176.077 0.537 1
1 733 . 17 1 1 A 62 62 ILE CA C 62 61.960 61.974 -0.014 1
1 734 . 17 1 1 A 62 62 ILE CB C 62 38.231 37.997 0.234 1
1 738 . 17 1 1 A 62 62 ILE N N 62 119.268 123.167 -3.899 1
1 739 . 17 1 1 A 63 63 LYS H H 63 8.100 8.393 -0.293 1
1 740 . 17 1 1 A 63 63 LYS HA H 63 4.304 4.457 -0.153 1
1 747 . 17 1 1 A 63 63 LYS C C 63 176.623 176.251 0.372 1
1 748 . 17 1 1 A 63 63 LYS CA C 63 56.672 56.677 -0.005 1
1 749 . 17 1 1 A 63 63 LYS CB C 63 32.898 32.791 0.107 1
1 753 . 17 1 1 A 63 63 LYS N N 63 124.673 129.082 -4.409 1
1 754 . 17 1 1 A 64 64 LYS H H 64 8.272 8.308 -0.036 1
1 755 . 17 1 1 A 64 64 LYS C C 64 176.619 176.041 0.578 1
1 756 . 17 1 1 A 64 64 LYS CA C 64 56.531 56.769 -0.238 1
1 757 . 17 1 1 A 64 64 LYS CB C 64 33.017 33.090 -0.073 1
1 758 . 17 1 1 A 64 64 LYS N N 64 122.722 129.024 -6.302 1
1 759 . 17 1 1 A 65 65 SER HA H 65 4.533 4.451 0.082 1
1 762 . 17 1 1 A 65 65 SER C C 65 174.501 174.182 0.319 1
1 763 . 17 1 1 A 65 65 SER CA C 65 58.364 59.040 -0.676 1
1 764 . 17 1 1 A 65 65 SER CB C 65 64.210 63.001 1.209 1
1 765 . 17 1 1 A 66 66 GLY H H 66 8.264 8.490 -0.226 1
1 766 . 17 1 1 A 66 66 GLY C C 66 171.884 173.298 -1.414 1
1 767 . 17 1 1 A 66 66 GLY CA C 66 44.719 45.701 -0.982 1
1 768 . 17 1 1 A 66 66 GLY N N 66 110.727 109.839 0.888 1
1 772 . 17 1 1 A 67 67 PRO CA C 67 63.385 62.748 0.637 1
1 773 . 17 1 1 A 67 67 PRO CB C 67 32.419 31.638 0.781 1
1 1 . 18 1 1 A 8 8 ARG HA H 8 4.360 5.151 -0.791 1
1 8 . 18 1 1 A 8 8 ARG C C 8 176.260 174.597 1.663 1
1 9 . 18 1 1 A 8 8 ARG CA C 8 55.966 54.894 1.072 1
1 10 . 18 1 1 A 8 8 ARG CB C 8 30.838 32.671 -1.833 1
1 13 . 18 1 1 A 9 9 LYS H H 9 8.400 8.625 -0.225 1
1 14 . 18 1 1 A 9 9 LYS C C 9 174.555 175.859 -1.304 1
1 15 . 18 1 1 A 9 9 LYS CA C 9 54.274 52.551 1.723 1
1 16 . 18 1 1 A 9 9 LYS CB C 9 32.440 36.535 -4.095 1
1 17 . 18 1 1 A 9 9 LYS N N 9 124.470 126.323 -1.853 1
1 18 . 18 1 1 A 10 10 PRO HA H 10 4.441 4.449 -0.008 1
1 25 . 18 1 1 A 10 10 PRO C C 10 176.789 176.528 0.261 1
1 26 . 18 1 1 A 10 10 PRO CA C 10 63.088 65.195 -2.107 1
1 27 . 18 1 1 A 10 10 PRO CB C 10 32.156 32.046 0.110 1
1 30 . 18 1 1 A 11 11 ARG H H 11 8.471 8.149 0.322 1
1 31 . 18 1 1 A 11 11 ARG HA H 11 4.370 4.623 -0.253 1
1 36 . 18 1 1 A 11 11 ARG C C 11 176.400 174.968 1.432 1
1 37 . 18 1 1 A 11 11 ARG CA C 11 56.439 55.471 0.968 1
1 38 . 18 1 1 A 11 11 ARG CB C 11 30.710 30.460 0.250 1
1 40 . 18 1 1 A 11 11 ARG N N 11 121.881 118.711 3.170 1
1 41 . 18 1 1 A 12 12 THR HA H 12 4.270 4.771 -0.501 1
1 46 . 18 1 1 A 12 12 THR C C 12 173.737 175.344 -1.607 1
1 47 . 18 1 1 A 12 12 THR CA C 12 62.101 61.199 0.902 1
1 48 . 18 1 1 A 12 12 THR CB C 12 69.896 71.903 -2.007 1
1 50 . 18 1 1 A 13 13 ILE H H 13 8.215 8.398 -0.183 1
1 51 . 18 1 1 A 13 13 ILE HA H 13 4.063 3.859 0.204 1
1 61 . 18 1 1 A 13 13 ILE C C 13 175.361 175.847 -0.486 1
1 62 . 18 1 1 A 13 13 ILE CA C 13 61.109 64.172 -3.063 1
1 63 . 18 1 1 A 13 13 ILE CB C 13 38.748 38.193 0.555 1
1 67 . 18 1 1 A 13 13 ILE N N 13 124.648 123.672 0.976 1
1 68 . 18 1 1 A 14 14 TYR H H 14 7.928 7.799 0.129 1
1 69 . 18 1 1 A 14 14 TYR HA H 14 4.923 5.259 -0.336 1
1 76 . 18 1 1 A 14 14 TYR C C 14 176.009 174.954 1.055 1
1 77 . 18 1 1 A 14 14 TYR CA C 14 56.425 56.616 -0.191 1
1 78 . 18 1 1 A 14 14 TYR CB C 14 39.984 42.651 -2.667 1
1 83 . 18 1 1 A 14 14 TYR N N 14 122.287 119.550 2.737 1
1 84 . 18 1 1 A 15 15 SER H H 15 9.368 8.722 0.646 1
1 85 . 18 1 1 A 15 15 SER HA H 15 4.639 4.685 -0.046 1
1 88 . 18 1 1 A 15 15 SER C C 15 175.065 175.702 -0.637 1
1 89 . 18 1 1 A 15 15 SER CA C 15 56.918 58.259 -1.341 1
1 90 . 18 1 1 A 15 15 SER CB C 15 65.646 63.674 1.972 1
1 91 . 18 1 1 A 15 15 SER N N 15 119.482 118.193 1.289 1
1 92 . 18 1 1 A 16 16 SER HA H 16 4.181 4.081 0.100 1
1 95 . 18 1 1 A 16 16 SER CA C 16 62.192 61.753 0.439 1
1 96 . 18 1 1 A 16 16 SER CB C 16 62.188 62.388 -0.200 1
1 97 . 18 1 1 A 17 17 PHE H H 17 7.815 7.642 0.173 1
1 98 . 18 1 1 A 17 17 PHE HA H 17 4.313 4.119 0.194 1
1 106 . 18 1 1 A 17 17 PHE C C 17 177.979 178.163 -0.184 1
1 107 . 18 1 1 A 17 17 PHE CA C 17 60.981 61.207 -0.226 1
1 108 . 18 1 1 A 17 17 PHE CB C 17 39.519 39.108 0.411 1
1 114 . 18 1 1 A 17 17 PHE N N 17 119.320 124.306 -4.986 1
1 115 . 18 1 1 A 18 18 GLN H H 18 7.816 8.134 -0.318 1
1 116 . 18 1 1 A 18 18 GLN HA H 18 3.720 3.429 0.291 1
1 123 . 18 1 1 A 18 18 GLN C C 18 177.456 178.968 -1.512 1
1 124 . 18 1 1 A 18 18 GLN CA C 18 58.902 58.554 0.348 1
1 125 . 18 1 1 A 18 18 GLN CB C 18 28.118 28.266 -0.148 1
1 127 . 18 1 1 A 18 18 GLN N N 18 119.339 118.078 1.261 1
1 129 . 18 1 1 A 19 19 LEU H H 19 8.583 8.331 0.252 1
1 130 . 18 1 1 A 19 19 LEU HA H 19 3.570 3.712 -0.142 1
1 140 . 18 1 1 A 19 19 LEU C C 19 178.761 178.666 0.095 1
1 141 . 18 1 1 A 19 19 LEU CA C 19 57.837 57.818 0.019 1
1 142 . 18 1 1 A 19 19 LEU CB C 19 41.883 42.208 -0.325 1
1 146 . 18 1 1 A 19 19 LEU N N 19 117.368 120.700 -3.332 1
1 147 . 18 1 1 A 20 20 ALA H H 20 7.918 8.651 -0.733 1
1 148 . 18 1 1 A 20 20 ALA HA H 20 4.019 3.965 0.054 1
1 152 . 18 1 1 A 20 20 ALA C C 20 180.256 179.436 0.820 1
1 153 . 18 1 1 A 20 20 ALA CA C 20 54.944 55.454 -0.510 1
1 154 . 18 1 1 A 20 20 ALA CB C 20 17.731 18.679 -0.948 1
1 155 . 18 1 1 A 20 20 ALA N N 20 120.010 120.734 -0.724 1
1 156 . 18 1 1 A 21 21 ALA H H 21 7.313 7.593 -0.280 1
1 157 . 18 1 1 A 21 21 ALA HA H 21 3.945 4.098 -0.153 1
1 161 . 18 1 1 A 21 21 ALA C C 21 181.088 179.500 1.588 1
1 162 . 18 1 1 A 21 21 ALA CA C 21 54.749 54.528 0.221 1
1 163 . 18 1 1 A 21 21 ALA CB C 21 19.723 18.582 1.141 1
1 164 . 18 1 1 A 21 21 ALA N N 21 120.493 120.124 0.369 1
1 165 . 18 1 1 A 22 22 LEU H H 22 8.049 7.837 0.212 1
1 166 . 18 1 1 A 22 22 LEU HA H 22 3.507 3.506 0.001 1
1 176 . 18 1 1 A 22 22 LEU C C 22 177.768 178.818 -1.050 1
1 177 . 18 1 1 A 22 22 LEU CA C 22 58.418 57.712 0.706 1
1 178 . 18 1 1 A 22 22 LEU CB C 22 38.280 40.805 -2.525 1
1 182 . 18 1 1 A 22 22 LEU N N 22 121.618 118.959 2.659 1
1 183 . 18 1 1 A 23 23 GLN H H 23 8.047 8.310 -0.263 1
1 184 . 18 1 1 A 23 23 GLN HA H 23 4.042 4.182 -0.140 1
1 191 . 18 1 1 A 23 23 GLN C C 23 178.945 178.711 0.234 1
1 192 . 18 1 1 A 23 23 GLN CA C 23 59.172 59.130 0.042 1
1 193 . 18 1 1 A 23 23 GLN CB C 23 28.225 28.222 0.003 1
1 195 . 18 1 1 A 23 23 GLN N N 23 117.012 117.147 -0.135 1
1 197 . 18 1 1 A 24 24 ARG H H 24 7.956 8.102 -0.146 1
1 198 . 18 1 1 A 24 24 ARG HA H 24 4.098 4.070 0.028 1
1 205 . 18 1 1 A 24 24 ARG C C 24 179.440 178.142 1.298 1
1 206 . 18 1 1 A 24 24 ARG CA C 24 59.443 59.221 0.222 1
1 207 . 18 1 1 A 24 24 ARG CB C 24 30.290 29.952 0.338 1
1 210 . 18 1 1 A 24 24 ARG N N 24 118.511 120.955 -2.444 1
1 211 . 18 1 1 A 25 25 ARG H H 25 7.768 7.688 0.080 1
1 212 . 18 1 1 A 25 25 ARG HA H 25 4.380 4.141 0.239 1
1 219 . 18 1 1 A 25 25 ARG C C 25 177.933 178.390 -0.457 1
1 220 . 18 1 1 A 25 25 ARG CA C 25 56.993 58.995 -2.002 1
1 221 . 18 1 1 A 25 25 ARG CB C 25 28.118 30.038 -1.920 1
1 224 . 18 1 1 A 25 25 ARG N N 25 119.018 119.363 -0.345 1
1 225 . 18 1 1 A 26 26 PHE H H 26 8.739 8.406 0.333 1
1 226 . 18 1 1 A 26 26 PHE HA H 26 4.680 4.176 0.504 1
1 234 . 18 1 1 A 26 26 PHE C C 26 175.842 177.290 -1.448 1
1 235 . 18 1 1 A 26 26 PHE CA C 26 60.339 62.018 -1.679 1
1 236 . 18 1 1 A 26 26 PHE CB C 26 39.477 39.075 0.402 1
1 242 . 18 1 1 A 26 26 PHE N N 26 121.838 120.501 1.337 1
1 243 . 18 1 1 A 27 27 GLN H H 27 7.712 7.941 -0.229 1
1 244 . 18 1 1 A 27 27 GLN HA H 27 3.979 3.972 0.007 1
1 251 . 18 1 1 A 27 27 GLN C C 27 177.336 178.352 -1.016 1
1 252 . 18 1 1 A 27 27 GLN CA C 27 57.877 58.431 -0.554 1
1 253 . 18 1 1 A 27 27 GLN CB C 27 28.809 28.925 -0.116 1
1 255 . 18 1 1 A 27 27 GLN N N 27 113.533 117.663 -4.130 1
1 257 . 18 1 1 A 28 28 LYS H H 28 7.469 7.676 -0.207 1
1 258 . 18 1 1 A 28 28 LYS HA H 28 4.316 4.103 0.213 1
1 267 . 18 1 1 A 28 28 LYS C C 28 177.011 176.325 0.686 1
1 268 . 18 1 1 A 28 28 LYS CA C 28 57.805 58.845 -1.040 1
1 269 . 18 1 1 A 28 28 LYS CB C 28 33.639 33.154 0.485 1
1 273 . 18 1 1 A 28 28 LYS N N 28 117.851 120.061 -2.210 1
1 274 . 18 1 1 A 29 29 THR H H 29 8.373 7.806 0.567 1
1 275 . 18 1 1 A 29 29 THR HA H 29 4.457 4.604 -0.147 1
1 280 . 18 1 1 A 29 29 THR C C 29 171.650 173.988 -2.338 1
1 281 . 18 1 1 A 29 29 THR CA C 29 59.598 60.776 -1.178 1
1 282 . 18 1 1 A 29 29 THR CB C 29 70.546 71.099 -0.553 1
1 284 . 18 1 1 A 29 29 THR N N 29 113.944 111.649 2.295 1
1 285 . 18 1 1 A 30 30 GLN H H 30 8.210 8.557 -0.347 1
1 286 . 18 1 1 A 30 30 GLN HA H 30 3.863 4.293 -0.430 1
1 293 . 18 1 1 A 30 30 GLN C C 30 174.111 175.601 -1.490 1
1 294 . 18 1 1 A 30 30 GLN CA C 30 56.868 58.189 -1.321 1
1 295 . 18 1 1 A 30 30 GLN CB C 30 27.841 29.312 -1.471 1
1 297 . 18 1 1 A 30 30 GLN N N 30 121.138 125.428 -4.290 1
1 299 . 18 1 1 A 31 31 TYR H H 31 7.532 7.586 -0.054 1
1 300 . 18 1 1 A 31 31 TYR HA H 31 4.700 5.186 -0.486 1
1 307 . 18 1 1 A 31 31 TYR C C 31 174.485 174.594 -0.109 1
1 308 . 18 1 1 A 31 31 TYR CA C 31 56.954 56.603 0.351 1
1 309 . 18 1 1 A 31 31 TYR CB C 31 41.374 40.934 0.440 1
1 314 . 18 1 1 A 31 31 TYR N N 31 114.987 117.087 -2.100 1
1 315 . 18 1 1 A 32 32 LEU H H 32 8.382 8.935 -0.553 1
1 316 . 18 1 1 A 32 32 LEU HA H 32 4.486 4.978 -0.492 1
1 326 . 18 1 1 A 32 32 LEU C C 32 176.526 176.783 -0.257 1
1 327 . 18 1 1 A 32 32 LEU CA C 32 53.216 53.141 0.075 1
1 328 . 18 1 1 A 32 32 LEU CB C 32 44.134 44.344 -0.210 1
1 332 . 18 1 1 A 32 32 LEU N N 32 123.429 124.239 -0.810 1
1 333 . 18 1 1 A 33 33 ALA H H 33 8.805 8.748 0.057 1
1 334 . 18 1 1 A 33 33 ALA HA H 33 4.469 4.503 -0.034 1
1 338 . 18 1 1 A 33 33 ALA C C 33 178.230 177.590 0.640 1
1 339 . 18 1 1 A 33 33 ALA CA C 33 51.183 52.045 -0.862 1
1 340 . 18 1 1 A 33 33 ALA CB C 33 19.852 19.933 -0.081 1
1 341 . 18 1 1 A 33 33 ALA N N 33 126.131 125.714 0.417 1
1 342 . 18 1 1 A 34 34 LEU H H 34 8.898 8.741 0.157 1
1 343 . 18 1 1 A 34 34 LEU HA H 34 4.088 4.048 0.040 1
1 353 . 18 1 1 A 34 34 LEU C C 34 178.245 175.332 2.913 1
1 354 . 18 1 1 A 34 34 LEU CA C 34 60.712 59.525 1.187 1
1 355 . 18 1 1 A 34 34 LEU CB C 34 39.135 40.671 -1.536 1
1 359 . 18 1 1 A 34 34 LEU N N 34 122.061 120.543 1.518 1
1 360 . 18 1 1 A 35 35 PRO HA H 35 4.378 4.343 0.035 1
1 367 . 18 1 1 A 35 35 PRO C C 35 179.888 179.186 0.702 1
1 368 . 18 1 1 A 35 35 PRO CA C 35 65.894 65.362 0.532 1
1 369 . 18 1 1 A 35 35 PRO CB C 35 30.618 30.809 -0.191 1
1 372 . 18 1 1 A 36 36 GLU H H 36 6.984 8.457 -1.473 1
1 373 . 18 1 1 A 36 36 GLU HA H 36 4.192 3.994 0.198 1
1 378 . 18 1 1 A 36 36 GLU C C 36 179.230 179.322 -0.092 1
1 379 . 18 1 1 A 36 36 GLU CA C 36 58.631 59.776 -1.145 1
1 380 . 18 1 1 A 36 36 GLU CB C 36 30.290 28.921 1.369 1
1 382 . 18 1 1 A 36 36 GLU N N 36 116.910 118.106 -1.196 1
1 383 . 18 1 1 A 37 37 ARG H H 37 8.489 7.924 0.565 1
1 384 . 18 1 1 A 37 37 ARG HA H 37 3.741 3.977 -0.236 1
1 391 . 18 1 1 A 37 37 ARG C C 37 177.835 178.188 -0.353 1
1 392 . 18 1 1 A 37 37 ARG CA C 37 60.076 59.169 0.907 1
1 393 . 18 1 1 A 37 37 ARG CB C 37 30.775 30.152 0.623 1
1 396 . 18 1 1 A 37 37 ARG N N 37 121.545 120.873 0.672 1
1 397 . 18 1 1 A 38 38 ALA H H 38 8.308 7.718 0.590 1
1 398 . 18 1 1 A 38 38 ALA HA H 38 3.941 4.012 -0.071 1
1 402 . 18 1 1 A 38 38 ALA C C 38 180.311 179.555 0.756 1
1 403 . 18 1 1 A 38 38 ALA CA C 38 55.446 55.007 0.439 1
1 404 . 18 1 1 A 38 38 ALA CB C 38 18.082 18.422 -0.340 1
1 405 . 18 1 1 A 38 38 ALA N N 38 120.571 120.765 -0.194 1
1 406 . 18 1 1 A 39 39 GLU H H 39 7.819 7.777 0.042 1
1 407 . 18 1 1 A 39 39 GLU HA H 39 4.125 3.993 0.132 1
1 412 . 18 1 1 A 39 39 GLU C C 39 178.851 179.113 -0.262 1
1 413 . 18 1 1 A 39 39 GLU CA C 39 59.257 59.443 -0.186 1
1 414 . 18 1 1 A 39 39 GLU CB C 39 29.806 29.185 0.621 1
1 416 . 18 1 1 A 39 39 GLU N N 39 119.614 118.622 0.992 1
1 417 . 18 1 1 A 40 40 LEU H H 40 8.251 7.735 0.516 1
1 418 . 18 1 1 A 40 40 LEU HA H 40 4.149 3.943 0.206 1
1 428 . 18 1 1 A 40 40 LEU C C 40 178.939 179.433 -0.494 1
1 429 . 18 1 1 A 40 40 LEU CA C 40 57.625 57.876 -0.251 1
1 430 . 18 1 1 A 40 40 LEU CB C 40 42.239 41.348 0.891 1
1 434 . 18 1 1 A 40 40 LEU N N 40 121.912 120.222 1.690 1
1 435 . 18 1 1 A 41 41 ALA H H 41 8.449 7.940 0.509 1
1 436 . 18 1 1 A 41 41 ALA HA H 41 3.629 4.083 -0.454 1
1 440 . 18 1 1 A 41 41 ALA C C 41 179.199 179.391 -0.192 1
1 441 . 18 1 1 A 41 41 ALA CA C 41 56.202 54.566 1.636 1
1 442 . 18 1 1 A 41 41 ALA CB C 41 17.819 18.177 -0.358 1
1 443 . 18 1 1 A 41 41 ALA N N 41 120.020 122.187 -2.167 1
1 444 . 18 1 1 A 42 42 ALA H H 42 7.800 7.623 0.177 1
1 445 . 18 1 1 A 42 42 ALA HA H 42 4.240 4.234 0.006 1
1 449 . 18 1 1 A 42 42 ALA C C 42 181.146 179.202 1.944 1
1 450 . 18 1 1 A 42 42 ALA CA C 42 54.991 55.019 -0.028 1
1 451 . 18 1 1 A 42 42 ALA CB C 42 17.983 18.993 -1.010 1
1 452 . 18 1 1 A 42 42 ALA N N 42 118.414 120.149 -1.735 1
1 453 . 18 1 1 A 43 43 SER H H 43 8.172 8.078 0.094 1
1 454 . 18 1 1 A 43 43 SER HA H 43 4.314 4.259 0.055 1
1 457 . 18 1 1 A 43 43 SER C C 43 175.817 177.478 -1.661 1
1 458 . 18 1 1 A 43 43 SER CA C 43 61.138 61.490 -0.352 1
1 459 . 18 1 1 A 43 43 SER CB C 43 63.341 63.019 0.322 1
1 460 . 18 1 1 A 43 43 SER N N 43 113.508 113.436 0.072 1
1 461 . 18 1 1 A 44 44 LEU H H 44 7.701 7.813 -0.112 1
1 462 . 18 1 1 A 44 44 LEU HA H 44 4.662 4.019 0.643 1
1 472 . 18 1 1 A 44 44 LEU C C 44 177.588 176.984 0.604 1
1 473 . 18 1 1 A 44 44 LEU CA C 44 54.556 55.371 -0.815 1
1 474 . 18 1 1 A 44 44 LEU CB C 44 44.134 42.361 1.773 1
1 478 . 18 1 1 A 44 44 LEU N N 44 117.384 119.413 -2.029 1
1 479 . 18 1 1 A 45 45 GLY H H 45 7.971 8.180 -0.209 1
1 480 . 18 1 1 A 45 45 GLY HA2 H 45 4.130 3.952 0.178 1
1 481 . 18 1 1 A 45 45 GLY HA3 H 45 3.991 3.980 0.011 1
1 482 . 18 1 1 A 45 45 GLY C C 45 174.538 174.350 0.188 1
1 483 . 18 1 1 A 45 45 GLY CA C 45 46.623 46.018 0.605 1
1 484 . 18 1 1 A 45 45 GLY N N 45 110.156 107.451 2.705 1
1 485 . 18 1 1 A 46 46 LEU H H 46 8.012 7.895 0.117 1
1 486 . 18 1 1 A 46 46 LEU HA H 46 4.914 4.791 0.123 1
1 496 . 18 1 1 A 46 46 LEU C C 46 176.613 175.519 1.094 1
1 497 . 18 1 1 A 46 46 LEU CA C 46 52.652 53.465 -0.813 1
1 498 . 18 1 1 A 46 46 LEU CB C 46 46.882 42.898 3.984 1
1 502 . 18 1 1 A 46 46 LEU N N 46 119.755 121.295 -1.540 1
1 503 . 18 1 1 A 47 47 THR H H 47 8.846 8.319 0.527 1
1 504 . 18 1 1 A 47 47 THR HA H 47 4.681 4.840 -0.159 1
1 509 . 18 1 1 A 47 47 THR C C 47 176.869 175.263 1.606 1
1 510 . 18 1 1 A 47 47 THR CA C 47 60.326 59.768 0.558 1
1 511 . 18 1 1 A 47 47 THR CB C 47 70.720 70.982 -0.262 1
1 513 . 18 1 1 A 47 47 THR N N 47 109.908 114.086 -4.178 1
1 514 . 18 1 1 A 48 48 GLN H H 48 9.324 8.966 0.358 1
1 515 . 18 1 1 A 48 48 GLN HA H 48 3.708 4.102 -0.394 1
1 522 . 18 1 1 A 48 48 GLN C C 48 178.548 177.158 1.390 1
1 523 . 18 1 1 A 48 48 GLN CA C 48 60.839 58.549 2.290 1
1 524 . 18 1 1 A 48 48 GLN CB C 48 27.998 28.285 -0.287 1
1 526 . 18 1 1 A 48 48 GLN N N 48 120.589 126.855 -6.266 1
1 528 . 18 1 1 A 49 49 THR H H 49 8.172 7.639 0.533 1
1 529 . 18 1 1 A 49 49 THR HA H 49 3.908 4.341 -0.433 1
1 534 . 18 1 1 A 49 49 THR CA C 49 66.920 64.258 2.662 1
1 535 . 18 1 1 A 49 49 THR CB C 49 68.671 69.217 -0.546 1
1 537 . 18 1 1 A 49 49 THR N N 49 115.925 113.439 2.486 1
1 538 . 18 1 1 A 50 50 GLN H H 50 8.005 8.259 -0.254 1
1 539 . 18 1 1 A 50 50 GLN HA H 50 4.049 4.504 -0.455 1
1 546 . 18 1 1 A 50 50 GLN C C 50 180.191 178.081 2.110 1
1 547 . 18 1 1 A 50 50 GLN CA C 50 59.633 57.597 2.036 1
1 548 . 18 1 1 A 50 50 GLN CB C 50 28.965 29.840 -0.875 1
1 550 . 18 1 1 A 50 50 GLN N N 50 120.680 120.275 0.405 1
1 552 . 18 1 1 A 51 51 VAL H H 51 7.759 7.700 0.059 1
1 553 . 18 1 1 A 51 51 VAL HA H 51 3.754 3.794 -0.040 1
1 561 . 18 1 1 A 51 51 VAL C C 51 176.534 178.236 -1.702 1
1 562 . 18 1 1 A 51 51 VAL CA C 51 67.618 66.536 1.082 1
1 563 . 18 1 1 A 51 51 VAL CB C 51 32.052 31.296 0.756 1
1 566 . 18 1 1 A 51 51 VAL N N 51 119.814 120.616 -0.802 1
1 567 . 18 1 1 A 52 52 LYS H H 52 8.504 7.934 0.570 1
1 568 . 18 1 1 A 52 52 LYS HA H 52 4.301 4.155 0.146 1
1 577 . 18 1 1 A 52 52 LYS C C 52 179.918 179.646 0.272 1
1 578 . 18 1 1 A 52 52 LYS CA C 52 60.046 59.292 0.754 1
1 579 . 18 1 1 A 52 52 LYS CB C 52 33.392 32.536 0.856 1
1 583 . 18 1 1 A 52 52 LYS N N 52 121.422 119.770 1.652 1
1 584 . 18 1 1 A 53 53 ILE H H 53 8.775 8.078 0.697 1
1 585 . 18 1 1 A 53 53 ILE HA H 53 3.866 3.824 0.042 1
1 595 . 18 1 1 A 53 53 ILE C C 53 177.447 178.549 -1.102 1
1 596 . 18 1 1 A 53 53 ILE CA C 53 64.285 64.644 -0.359 1
1 597 . 18 1 1 A 53 53 ILE CB C 53 38.066 36.970 1.096 1
1 601 . 18 1 1 A 53 53 ILE N N 53 119.411 119.619 -0.208 1
1 602 . 18 1 1 A 54 54 TRP H H 54 8.052 8.031 0.021 1
1 603 . 18 1 1 A 54 54 TRP HA H 54 4.005 4.112 -0.107 1
1 612 . 18 1 1 A 54 54 TRP C C 54 179.712 178.091 1.621 1
1 613 . 18 1 1 A 54 54 TRP CA C 54 63.406 61.440 1.966 1
1 614 . 18 1 1 A 54 54 TRP CB C 54 28.935 29.564 -0.629 1
1 620 . 18 1 1 A 54 54 TRP N N 54 122.233 122.511 -0.278 1
1 622 . 18 1 1 A 55 55 PHE H H 55 8.720 8.310 0.410 1
1 623 . 18 1 1 A 55 55 PHE HA H 55 3.786 4.426 -0.640 1
1 631 . 18 1 1 A 55 55 PHE C C 55 177.753 178.194 -0.441 1
1 632 . 18 1 1 A 55 55 PHE CA C 55 63.194 62.099 1.095 1
1 633 . 18 1 1 A 55 55 PHE CB C 55 39.739 38.931 0.808 1
1 639 . 18 1 1 A 55 55 PHE N N 55 118.671 118.083 0.588 1
1 640 . 18 1 1 A 56 56 GLN H H 56 8.294 8.464 -0.170 1
1 641 . 18 1 1 A 56 56 GLN HA H 56 3.952 3.923 0.029 1
1 648 . 18 1 1 A 56 56 GLN C C 56 179.029 178.162 0.867 1
1 649 . 18 1 1 A 56 56 GLN CA C 56 59.414 58.541 0.873 1
1 650 . 18 1 1 A 56 56 GLN CB C 56 28.724 28.638 0.086 1
1 652 . 18 1 1 A 56 56 GLN N N 56 118.357 120.581 -2.224 1
1 654 . 18 1 1 A 57 57 ASN H H 57 8.580 8.628 -0.048 1
1 655 . 18 1 1 A 57 57 ASN HA H 57 4.315 4.369 -0.054 1
1 660 . 18 1 1 A 57 57 ASN C C 57 177.717 178.058 -0.341 1
1 661 . 18 1 1 A 57 57 ASN CA C 57 55.541 55.571 -0.030 1
1 662 . 18 1 1 A 57 57 ASN CB C 57 37.796 38.204 -0.408 1
1 663 . 18 1 1 A 57 57 ASN N N 57 118.858 117.219 1.639 1
1 665 . 18 1 1 A 58 58 LYS H H 58 7.761 7.321 0.440 1
1 666 . 18 1 1 A 58 58 LYS HA H 58 3.416 3.712 -0.296 1
1 675 . 18 1 1 A 58 58 LYS C C 58 178.937 179.471 -0.534 1
1 676 . 18 1 1 A 58 58 LYS CA C 58 57.292 59.031 -1.739 1
1 677 . 18 1 1 A 58 58 LYS CB C 58 30.746 31.405 -0.659 1
1 681 . 18 1 1 A 58 58 LYS N N 58 122.418 120.645 1.773 1
1 682 . 18 1 1 A 59 59 ARG H H 59 7.965 8.104 -0.139 1
1 683 . 18 1 1 A 59 59 ARG HA H 59 4.078 4.221 -0.143 1
1 690 . 18 1 1 A 59 59 ARG C C 59 178.804 179.241 -0.437 1
1 691 . 18 1 1 A 59 59 ARG CA C 59 60.056 59.824 0.232 1
1 692 . 18 1 1 A 59 59 ARG CB C 59 31.573 30.049 1.524 1
1 695 . 18 1 1 A 59 59 ARG N N 59 116.992 120.029 -3.037 1
1 696 . 18 1 1 A 60 60 SER H H 60 7.733 7.333 0.400 1
1 697 . 18 1 1 A 60 60 SER HA H 60 4.308 4.176 0.132 1
1 700 . 18 1 1 A 60 60 SER C C 60 175.262 177.242 -1.980 1
1 701 . 18 1 1 A 60 60 SER CA C 60 60.550 61.382 -0.832 1
1 702 . 18 1 1 A 60 60 SER CB C 60 63.304 62.831 0.473 1
1 703 . 18 1 1 A 60 60 SER N N 60 113.717 114.747 -1.030 1
1 704 . 18 1 1 A 61 61 LYS H H 61 7.622 7.986 -0.364 1
1 705 . 18 1 1 A 61 61 LYS HA H 61 4.218 4.101 0.117 1
1 714 . 18 1 1 A 61 61 LYS C C 61 177.402 177.281 0.121 1
1 715 . 18 1 1 A 61 61 LYS CA C 61 56.989 59.292 -2.303 1
1 716 . 18 1 1 A 61 61 LYS CB C 61 32.486 31.737 0.749 1
1 720 . 18 1 1 A 61 61 LYS N N 61 121.107 121.029 0.078 1
1 721 . 18 1 1 A 62 62 ILE H H 62 7.632 7.387 0.245 1
1 722 . 18 1 1 A 62 62 ILE HA H 62 4.074 4.069 0.005 1
1 732 . 18 1 1 A 62 62 ILE C C 62 176.614 175.944 0.670 1
1 733 . 18 1 1 A 62 62 ILE CA C 62 61.960 62.083 -0.123 1
1 734 . 18 1 1 A 62 62 ILE CB C 62 38.231 37.973 0.258 1
1 738 . 18 1 1 A 62 62 ILE N N 62 119.268 120.016 -0.748 1
1 739 . 18 1 1 A 63 63 LYS H H 63 8.100 8.293 -0.193 1
1 740 . 18 1 1 A 63 63 LYS HA H 63 4.304 4.248 0.056 1
1 747 . 18 1 1 A 63 63 LYS C C 63 176.623 176.077 0.546 1
1 748 . 18 1 1 A 63 63 LYS CA C 63 56.672 56.152 0.520 1
1 749 . 18 1 1 A 63 63 LYS CB C 63 32.898 31.835 1.063 1
1 753 . 18 1 1 A 63 63 LYS N N 63 124.673 128.170 -3.497 1
1 754 . 18 1 1 A 64 64 LYS H H 64 8.272 8.700 -0.428 1
1 755 . 18 1 1 A 64 64 LYS C C 64 176.619 176.028 0.591 1
1 756 . 18 1 1 A 64 64 LYS CA C 64 56.531 56.277 0.254 1
1 757 . 18 1 1 A 64 64 LYS CB C 64 33.017 33.475 -0.458 1
1 758 . 18 1 1 A 64 64 LYS N N 64 122.722 126.936 -4.214 1
1 759 . 18 1 1 A 65 65 SER HA H 65 4.533 4.794 -0.261 1
1 762 . 18 1 1 A 65 65 SER C C 65 174.501 174.661 -0.160 1
1 763 . 18 1 1 A 65 65 SER CA C 65 58.364 58.337 0.027 1
1 764 . 18 1 1 A 65 65 SER CB C 65 64.210 63.151 1.059 1
1 765 . 18 1 1 A 66 66 GLY H H 66 8.264 8.265 -0.001 1
1 766 . 18 1 1 A 66 66 GLY C C 66 171.884 173.665 -1.781 1
1 767 . 18 1 1 A 66 66 GLY CA C 66 44.719 46.086 -1.367 1
1 768 . 18 1 1 A 66 66 GLY N N 66 110.727 112.279 -1.552 1
1 772 . 18 1 1 A 67 67 PRO CA C 67 63.385 62.642 0.743 1
1 773 . 18 1 1 A 67 67 PRO CB C 67 32.419 32.601 -0.182 1
1 1 . 19 1 1 A 8 8 ARG HA H 8 4.360 4.326 0.034 1
1 8 . 19 1 1 A 8 8 ARG C C 8 176.260 176.512 -0.252 1
1 9 . 19 1 1 A 8 8 ARG CA C 8 55.966 58.382 -2.416 1
1 10 . 19 1 1 A 8 8 ARG CB C 8 30.838 30.621 0.217 1
1 13 . 19 1 1 A 9 9 LYS H H 9 8.400 7.384 1.016 1
1 14 . 19 1 1 A 9 9 LYS C C 9 174.555 176.690 -2.135 1
1 15 . 19 1 1 A 9 9 LYS CA C 9 54.274 55.334 -1.060 1
1 16 . 19 1 1 A 9 9 LYS CB C 9 32.440 32.138 0.302 1
1 17 . 19 1 1 A 9 9 LYS N N 9 124.470 118.182 6.288 1
1 18 . 19 1 1 A 10 10 PRO HA H 10 4.441 4.587 -0.146 1
1 25 . 19 1 1 A 10 10 PRO C C 10 176.789 176.118 0.671 1
1 26 . 19 1 1 A 10 10 PRO CA C 10 63.088 64.010 -0.922 1
1 27 . 19 1 1 A 10 10 PRO CB C 10 32.156 31.855 0.301 1
1 30 . 19 1 1 A 11 11 ARG H H 11 8.471 7.682 0.789 1
1 31 . 19 1 1 A 11 11 ARG HA H 11 4.370 4.516 -0.146 1
1 36 . 19 1 1 A 11 11 ARG C C 11 176.400 175.443 0.957 1
1 37 . 19 1 1 A 11 11 ARG CA C 11 56.439 55.905 0.534 1
1 38 . 19 1 1 A 11 11 ARG CB C 11 30.710 31.203 -0.493 1
1 40 . 19 1 1 A 11 11 ARG N N 11 121.881 119.319 2.562 1
1 41 . 19 1 1 A 12 12 THR HA H 12 4.270 4.739 -0.469 1
1 46 . 19 1 1 A 12 12 THR C C 12 173.737 175.635 -1.898 1
1 47 . 19 1 1 A 12 12 THR CA C 12 62.101 61.577 0.524 1
1 48 . 19 1 1 A 12 12 THR CB C 12 69.896 71.291 -1.395 1
1 50 . 19 1 1 A 13 13 ILE H H 13 8.215 8.543 -0.328 1
1 51 . 19 1 1 A 13 13 ILE HA H 13 4.063 3.856 0.207 1
1 61 . 19 1 1 A 13 13 ILE C C 13 175.361 175.835 -0.474 1
1 62 . 19 1 1 A 13 13 ILE CA C 13 61.109 63.775 -2.666 1
1 63 . 19 1 1 A 13 13 ILE CB C 13 38.748 38.066 0.682 1
1 67 . 19 1 1 A 13 13 ILE N N 13 124.648 123.360 1.288 1
1 68 . 19 1 1 A 14 14 TYR H H 14 7.928 7.811 0.117 1
1 69 . 19 1 1 A 14 14 TYR HA H 14 4.923 5.285 -0.362 1
1 76 . 19 1 1 A 14 14 TYR C C 14 176.009 175.098 0.911 1
1 77 . 19 1 1 A 14 14 TYR CA C 14 56.425 56.929 -0.504 1
1 78 . 19 1 1 A 14 14 TYR CB C 14 39.984 42.486 -2.502 1
1 83 . 19 1 1 A 14 14 TYR N N 14 122.287 119.777 2.510 1
1 84 . 19 1 1 A 15 15 SER H H 15 9.368 8.623 0.745 1
1 85 . 19 1 1 A 15 15 SER HA H 15 4.639 4.622 0.017 1
1 88 . 19 1 1 A 15 15 SER C C 15 175.065 175.636 -0.571 1
1 89 . 19 1 1 A 15 15 SER CA C 15 56.918 58.605 -1.687 1
1 90 . 19 1 1 A 15 15 SER CB C 15 65.646 63.711 1.935 1
1 91 . 19 1 1 A 15 15 SER N N 15 119.482 119.155 0.327 1
1 92 . 19 1 1 A 16 16 SER HA H 16 4.181 4.126 0.055 1
1 95 . 19 1 1 A 16 16 SER CA C 16 62.192 62.147 0.045 1
1 96 . 19 1 1 A 16 16 SER CB C 16 62.188 62.521 -0.333 1
1 97 . 19 1 1 A 17 17 PHE H H 17 7.815 8.267 -0.452 1
1 98 . 19 1 1 A 17 17 PHE HA H 17 4.313 4.112 0.201 1
1 106 . 19 1 1 A 17 17 PHE C C 17 177.979 177.937 0.042 1
1 107 . 19 1 1 A 17 17 PHE CA C 17 60.981 61.434 -0.453 1
1 108 . 19 1 1 A 17 17 PHE CB C 17 39.519 39.267 0.252 1
1 114 . 19 1 1 A 17 17 PHE N N 17 119.320 123.596 -4.276 1
1 115 . 19 1 1 A 18 18 GLN H H 18 7.816 8.156 -0.340 1
1 116 . 19 1 1 A 18 18 GLN HA H 18 3.720 3.495 0.225 1
1 123 . 19 1 1 A 18 18 GLN C C 18 177.456 178.882 -1.426 1
1 124 . 19 1 1 A 18 18 GLN CA C 18 58.902 58.599 0.303 1
1 125 . 19 1 1 A 18 18 GLN CB C 18 28.118 28.307 -0.189 1
1 127 . 19 1 1 A 18 18 GLN N N 18 119.339 117.951 1.388 1
1 129 . 19 1 1 A 19 19 LEU H H 19 8.583 8.301 0.282 1
1 130 . 19 1 1 A 19 19 LEU HA H 19 3.570 3.723 -0.153 1
1 140 . 19 1 1 A 19 19 LEU C C 19 178.761 178.749 0.012 1
1 141 . 19 1 1 A 19 19 LEU CA C 19 57.837 57.918 -0.081 1
1 142 . 19 1 1 A 19 19 LEU CB C 19 41.883 42.035 -0.152 1
1 146 . 19 1 1 A 19 19 LEU N N 19 117.368 120.550 -3.182 1
1 147 . 19 1 1 A 20 20 ALA H H 20 7.918 8.727 -0.809 1
1 148 . 19 1 1 A 20 20 ALA HA H 20 4.019 3.982 0.037 1
1 152 . 19 1 1 A 20 20 ALA C C 20 180.256 179.545 0.711 1
1 153 . 19 1 1 A 20 20 ALA CA C 20 54.944 55.593 -0.649 1
1 154 . 19 1 1 A 20 20 ALA CB C 20 17.731 18.757 -1.026 1
1 155 . 19 1 1 A 20 20 ALA N N 20 120.010 120.684 -0.674 1
1 156 . 19 1 1 A 21 21 ALA H H 21 7.313 7.202 0.111 1
1 157 . 19 1 1 A 21 21 ALA HA H 21 3.945 4.010 -0.065 1
1 161 . 19 1 1 A 21 21 ALA C C 21 181.088 179.330 1.758 1
1 162 . 19 1 1 A 21 21 ALA CA C 21 54.749 54.854 -0.105 1
1 163 . 19 1 1 A 21 21 ALA CB C 21 19.723 18.352 1.371 1
1 164 . 19 1 1 A 21 21 ALA N N 21 120.493 120.534 -0.041 1
1 165 . 19 1 1 A 22 22 LEU H H 22 8.049 8.002 0.047 1
1 166 . 19 1 1 A 22 22 LEU HA H 22 3.507 3.644 -0.137 1
1 176 . 19 1 1 A 22 22 LEU C C 22 177.768 178.549 -0.781 1
1 177 . 19 1 1 A 22 22 LEU CA C 22 58.418 57.770 0.648 1
1 178 . 19 1 1 A 22 22 LEU CB C 22 38.280 40.771 -2.491 1
1 182 . 19 1 1 A 22 22 LEU N N 22 121.618 118.289 3.329 1
1 183 . 19 1 1 A 23 23 GLN H H 23 8.047 8.192 -0.145 1
1 184 . 19 1 1 A 23 23 GLN HA H 23 4.042 4.116 -0.074 1
1 191 . 19 1 1 A 23 23 GLN C C 23 178.945 178.647 0.298 1
1 192 . 19 1 1 A 23 23 GLN CA C 23 59.172 59.418 -0.246 1
1 193 . 19 1 1 A 23 23 GLN CB C 23 28.225 28.502 -0.277 1
1 195 . 19 1 1 A 23 23 GLN N N 23 117.012 116.969 0.043 1
1 197 . 19 1 1 A 24 24 ARG H H 24 7.956 7.642 0.314 1
1 198 . 19 1 1 A 24 24 ARG HA H 24 4.098 3.964 0.134 1
1 205 . 19 1 1 A 24 24 ARG C C 24 179.440 178.934 0.506 1
1 206 . 19 1 1 A 24 24 ARG CA C 24 59.443 59.477 -0.034 1
1 207 . 19 1 1 A 24 24 ARG CB C 24 30.290 29.958 0.332 1
1 210 . 19 1 1 A 24 24 ARG N N 24 118.511 120.468 -1.957 1
1 211 . 19 1 1 A 25 25 ARG H H 25 7.768 7.704 0.064 1
1 212 . 19 1 1 A 25 25 ARG HA H 25 4.380 4.119 0.261 1
1 219 . 19 1 1 A 25 25 ARG C C 25 177.933 178.415 -0.482 1
1 220 . 19 1 1 A 25 25 ARG CA C 25 56.993 59.061 -2.068 1
1 221 . 19 1 1 A 25 25 ARG CB C 25 28.118 30.043 -1.925 1
1 224 . 19 1 1 A 25 25 ARG N N 25 119.018 119.810 -0.792 1
1 225 . 19 1 1 A 26 26 PHE H H 26 8.739 8.420 0.319 1
1 226 . 19 1 1 A 26 26 PHE HA H 26 4.680 4.426 0.254 1
1 234 . 19 1 1 A 26 26 PHE C C 26 175.842 177.086 -1.244 1
1 235 . 19 1 1 A 26 26 PHE CA C 26 60.339 61.953 -1.614 1
1 236 . 19 1 1 A 26 26 PHE CB C 26 39.477 39.314 0.163 1
1 242 . 19 1 1 A 26 26 PHE N N 26 121.838 120.377 1.461 1
1 243 . 19 1 1 A 27 27 GLN H H 27 7.712 8.693 -0.981 1
1 244 . 19 1 1 A 27 27 GLN HA H 27 3.979 3.652 0.327 1
1 251 . 19 1 1 A 27 27 GLN C C 27 177.336 178.407 -1.071 1
1 252 . 19 1 1 A 27 27 GLN CA C 27 57.877 59.200 -1.323 1
1 253 . 19 1 1 A 27 27 GLN CB C 27 28.809 27.954 0.855 1
1 255 . 19 1 1 A 27 27 GLN N N 27 113.533 117.656 -4.123 1
1 257 . 19 1 1 A 28 28 LYS H H 28 7.469 7.137 0.332 1
1 258 . 19 1 1 A 28 28 LYS HA H 28 4.316 4.049 0.267 1
1 267 . 19 1 1 A 28 28 LYS C C 28 177.011 176.117 0.894 1
1 268 . 19 1 1 A 28 28 LYS CA C 28 57.805 58.686 -0.881 1
1 269 . 19 1 1 A 28 28 LYS CB C 28 33.639 33.170 0.469 1
1 273 . 19 1 1 A 28 28 LYS N N 28 117.851 119.807 -1.956 1
1 274 . 19 1 1 A 29 29 THR H H 29 8.373 7.704 0.669 1
1 275 . 19 1 1 A 29 29 THR HA H 29 4.457 4.441 0.016 1
1 280 . 19 1 1 A 29 29 THR C C 29 171.650 173.278 -1.628 1
1 281 . 19 1 1 A 29 29 THR CA C 29 59.598 60.202 -0.604 1
1 282 . 19 1 1 A 29 29 THR CB C 29 70.546 70.801 -0.255 1
1 284 . 19 1 1 A 29 29 THR N N 29 113.944 111.886 2.058 1
1 285 . 19 1 1 A 30 30 GLN H H 30 8.210 8.175 0.035 1
1 286 . 19 1 1 A 30 30 GLN HA H 30 3.863 4.394 -0.531 1
1 293 . 19 1 1 A 30 30 GLN C C 30 174.111 175.406 -1.295 1
1 294 . 19 1 1 A 30 30 GLN CA C 30 56.868 57.235 -0.367 1
1 295 . 19 1 1 A 30 30 GLN CB C 30 27.841 29.212 -1.371 1
1 297 . 19 1 1 A 30 30 GLN N N 30 121.138 123.907 -2.769 1
1 299 . 19 1 1 A 31 31 TYR H H 31 7.532 7.057 0.475 1
1 300 . 19 1 1 A 31 31 TYR HA H 31 4.700 5.283 -0.583 1
1 307 . 19 1 1 A 31 31 TYR C C 31 174.485 174.847 -0.362 1
1 308 . 19 1 1 A 31 31 TYR CA C 31 56.954 56.638 0.316 1
1 309 . 19 1 1 A 31 31 TYR CB C 31 41.374 41.125 0.249 1
1 314 . 19 1 1 A 31 31 TYR N N 31 114.987 118.223 -3.236 1
1 315 . 19 1 1 A 32 32 LEU H H 32 8.382 8.956 -0.574 1
1 316 . 19 1 1 A 32 32 LEU HA H 32 4.486 5.125 -0.639 1
1 326 . 19 1 1 A 32 32 LEU C C 32 176.526 176.828 -0.302 1
1 327 . 19 1 1 A 32 32 LEU CA C 32 53.216 53.297 -0.081 1
1 328 . 19 1 1 A 32 32 LEU CB C 32 44.134 45.035 -0.901 1
1 332 . 19 1 1 A 32 32 LEU N N 32 123.429 123.844 -0.415 1
1 333 . 19 1 1 A 33 33 ALA H H 33 8.805 8.541 0.264 1
1 334 . 19 1 1 A 33 33 ALA HA H 33 4.469 4.487 -0.018 1
1 338 . 19 1 1 A 33 33 ALA C C 33 178.230 177.738 0.492 1
1 339 . 19 1 1 A 33 33 ALA CA C 33 51.183 51.943 -0.760 1
1 340 . 19 1 1 A 33 33 ALA CB C 33 19.852 19.762 0.090 1
1 341 . 19 1 1 A 33 33 ALA N N 33 126.131 125.513 0.618 1
1 342 . 19 1 1 A 34 34 LEU H H 34 8.898 8.747 0.151 1
1 343 . 19 1 1 A 34 34 LEU HA H 34 4.088 4.086 0.002 1
1 353 . 19 1 1 A 34 34 LEU C C 34 178.245 175.405 2.840 1
1 354 . 19 1 1 A 34 34 LEU CA C 34 60.712 59.465 1.247 1
1 355 . 19 1 1 A 34 34 LEU CB C 34 39.135 40.706 -1.571 1
1 359 . 19 1 1 A 34 34 LEU N N 34 122.061 119.999 2.062 1
1 360 . 19 1 1 A 35 35 PRO HA H 35 4.378 4.336 0.042 1
1 367 . 19 1 1 A 35 35 PRO C C 35 179.888 179.146 0.742 1
1 368 . 19 1 1 A 35 35 PRO CA C 35 65.894 65.353 0.541 1
1 369 . 19 1 1 A 35 35 PRO CB C 35 30.618 30.812 -0.194 1
1 372 . 19 1 1 A 36 36 GLU H H 36 6.984 8.426 -1.442 1
1 373 . 19 1 1 A 36 36 GLU HA H 36 4.192 4.035 0.157 1
1 378 . 19 1 1 A 36 36 GLU C C 36 179.230 179.338 -0.108 1
1 379 . 19 1 1 A 36 36 GLU CA C 36 58.631 60.097 -1.466 1
1 380 . 19 1 1 A 36 36 GLU CB C 36 30.290 29.023 1.267 1
1 382 . 19 1 1 A 36 36 GLU N N 36 116.910 118.132 -1.222 1
1 383 . 19 1 1 A 37 37 ARG H H 37 8.489 8.042 0.447 1
1 384 . 19 1 1 A 37 37 ARG HA H 37 3.741 3.885 -0.144 1
1 391 . 19 1 1 A 37 37 ARG C C 37 177.835 178.069 -0.234 1
1 392 . 19 1 1 A 37 37 ARG CA C 37 60.076 59.219 0.857 1
1 393 . 19 1 1 A 37 37 ARG CB C 37 30.775 30.038 0.737 1
1 396 . 19 1 1 A 37 37 ARG N N 37 121.545 120.182 1.363 1
1 397 . 19 1 1 A 38 38 ALA H H 38 8.308 7.809 0.499 1
1 398 . 19 1 1 A 38 38 ALA HA H 38 3.941 4.026 -0.085 1
1 402 . 19 1 1 A 38 38 ALA C C 38 180.311 179.177 1.134 1
1 403 . 19 1 1 A 38 38 ALA CA C 38 55.446 55.096 0.350 1
1 404 . 19 1 1 A 38 38 ALA CB C 38 18.082 18.453 -0.371 1
1 405 . 19 1 1 A 38 38 ALA N N 38 120.571 121.023 -0.452 1
1 406 . 19 1 1 A 39 39 GLU H H 39 7.819 8.016 -0.197 1
1 407 . 19 1 1 A 39 39 GLU HA H 39 4.125 4.032 0.093 1
1 412 . 19 1 1 A 39 39 GLU C C 39 178.851 179.332 -0.481 1
1 413 . 19 1 1 A 39 39 GLU CA C 39 59.257 59.476 -0.219 1
1 414 . 19 1 1 A 39 39 GLU CB C 39 29.806 29.351 0.455 1
1 416 . 19 1 1 A 39 39 GLU N N 39 119.614 119.031 0.583 1
1 417 . 19 1 1 A 40 40 LEU H H 40 8.251 7.725 0.526 1
1 418 . 19 1 1 A 40 40 LEU HA H 40 4.149 4.019 0.130 1
1 428 . 19 1 1 A 40 40 LEU C C 40 178.939 179.358 -0.419 1
1 429 . 19 1 1 A 40 40 LEU CA C 40 57.625 57.804 -0.179 1
1 430 . 19 1 1 A 40 40 LEU CB C 40 42.239 40.656 1.583 1
1 434 . 19 1 1 A 40 40 LEU N N 40 121.912 120.081 1.831 1
1 435 . 19 1 1 A 41 41 ALA H H 41 8.449 7.680 0.769 1
1 436 . 19 1 1 A 41 41 ALA HA H 41 3.629 4.079 -0.450 1
1 440 . 19 1 1 A 41 41 ALA C C 41 179.199 180.328 -1.129 1
1 441 . 19 1 1 A 41 41 ALA CA C 41 56.202 55.050 1.152 1
1 442 . 19 1 1 A 41 41 ALA CB C 41 17.819 18.113 -0.294 1
1 443 . 19 1 1 A 41 41 ALA N N 41 120.020 122.256 -2.236 1
1 444 . 19 1 1 A 42 42 ALA H H 42 7.800 8.220 -0.420 1
1 445 . 19 1 1 A 42 42 ALA HA H 42 4.240 4.257 -0.017 1
1 449 . 19 1 1 A 42 42 ALA C C 42 181.146 179.867 1.279 1
1 450 . 19 1 1 A 42 42 ALA CA C 42 54.991 54.524 0.467 1
1 451 . 19 1 1 A 42 42 ALA CB C 42 17.983 18.744 -0.761 1
1 452 . 19 1 1 A 42 42 ALA N N 42 118.414 120.370 -1.956 1
1 453 . 19 1 1 A 43 43 SER H H 43 8.172 8.443 -0.271 1
1 454 . 19 1 1 A 43 43 SER HA H 43 4.314 4.324 -0.010 1
1 457 . 19 1 1 A 43 43 SER C C 43 175.817 176.157 -0.340 1
1 458 . 19 1 1 A 43 43 SER CA C 43 61.138 62.182 -1.044 1
1 459 . 19 1 1 A 43 43 SER CB C 43 63.341 63.591 -0.250 1
1 460 . 19 1 1 A 43 43 SER N N 43 113.508 115.085 -1.577 1
1 461 . 19 1 1 A 44 44 LEU H H 44 7.701 7.923 -0.222 1
1 462 . 19 1 1 A 44 44 LEU HA H 44 4.662 4.283 0.379 1
1 472 . 19 1 1 A 44 44 LEU C C 44 177.588 177.068 0.520 1
1 473 . 19 1 1 A 44 44 LEU CA C 44 54.556 55.253 -0.697 1
1 474 . 19 1 1 A 44 44 LEU CB C 44 44.134 42.380 1.754 1
1 478 . 19 1 1 A 44 44 LEU N N 44 117.384 118.047 -0.663 1
1 479 . 19 1 1 A 45 45 GLY H H 45 7.971 8.227 -0.256 1
1 480 . 19 1 1 A 45 45 GLY HA2 H 45 4.130 3.962 0.168 1
1 481 . 19 1 1 A 45 45 GLY HA3 H 45 3.991 3.991 0.000 1
1 482 . 19 1 1 A 45 45 GLY C C 45 174.538 174.342 0.196 1
1 483 . 19 1 1 A 45 45 GLY CA C 45 46.623 46.093 0.530 1
1 484 . 19 1 1 A 45 45 GLY N N 45 110.156 107.528 2.628 1
1 485 . 19 1 1 A 46 46 LEU H H 46 8.012 7.702 0.310 1
1 486 . 19 1 1 A 46 46 LEU HA H 46 4.914 4.856 0.058 1
1 496 . 19 1 1 A 46 46 LEU C C 46 176.613 175.306 1.307 1
1 497 . 19 1 1 A 46 46 LEU CA C 46 52.652 53.191 -0.539 1
1 498 . 19 1 1 A 46 46 LEU CB C 46 46.882 43.821 3.061 1
1 502 . 19 1 1 A 46 46 LEU N N 46 119.755 120.885 -1.130 1
1 503 . 19 1 1 A 47 47 THR H H 47 8.846 8.365 0.481 1
1 504 . 19 1 1 A 47 47 THR HA H 47 4.681 4.831 -0.150 1
1 509 . 19 1 1 A 47 47 THR C C 47 176.869 175.440 1.429 1
1 510 . 19 1 1 A 47 47 THR CA C 47 60.326 59.726 0.600 1
1 511 . 19 1 1 A 47 47 THR CB C 47 70.720 70.910 -0.190 1
1 513 . 19 1 1 A 47 47 THR N N 47 109.908 114.067 -4.159 1
1 514 . 19 1 1 A 48 48 GLN H H 48 9.324 9.011 0.313 1
1 515 . 19 1 1 A 48 48 GLN HA H 48 3.708 3.963 -0.255 1
1 522 . 19 1 1 A 48 48 GLN C C 48 178.548 177.847 0.701 1
1 523 . 19 1 1 A 48 48 GLN CA C 48 60.839 59.355 1.484 1
1 524 . 19 1 1 A 48 48 GLN CB C 48 27.998 28.162 -0.164 1
1 526 . 19 1 1 A 48 48 GLN N N 48 120.589 127.404 -6.815 1
1 528 . 19 1 1 A 49 49 THR H H 49 8.172 7.826 0.346 1
1 529 . 19 1 1 A 49 49 THR HA H 49 3.908 4.205 -0.297 1
1 534 . 19 1 1 A 49 49 THR CA C 49 66.920 65.196 1.724 1
1 535 . 19 1 1 A 49 49 THR CB C 49 68.671 68.511 0.160 1
1 537 . 19 1 1 A 49 49 THR N N 49 115.925 116.932 -1.007 1
1 538 . 19 1 1 A 50 50 GLN H H 50 8.005 8.349 -0.344 1
1 539 . 19 1 1 A 50 50 GLN HA H 50 4.049 4.485 -0.436 1
1 546 . 19 1 1 A 50 50 GLN C C 50 180.191 178.119 2.072 1
1 547 . 19 1 1 A 50 50 GLN CA C 50 59.633 57.636 1.997 1
1 548 . 19 1 1 A 50 50 GLN CB C 50 28.965 29.844 -0.879 1
1 550 . 19 1 1 A 50 50 GLN N N 50 120.680 120.087 0.593 1
1 552 . 19 1 1 A 51 51 VAL H H 51 7.759 7.986 -0.227 1
1 553 . 19 1 1 A 51 51 VAL HA H 51 3.754 3.787 -0.033 1
1 561 . 19 1 1 A 51 51 VAL C C 51 176.534 178.315 -1.781 1
1 562 . 19 1 1 A 51 51 VAL CA C 51 67.618 66.634 0.984 1
1 563 . 19 1 1 A 51 51 VAL CB C 51 32.052 31.495 0.557 1
1 566 . 19 1 1 A 51 51 VAL N N 51 119.814 120.263 -0.449 1
1 567 . 19 1 1 A 52 52 LYS H H 52 8.504 7.795 0.709 1
1 568 . 19 1 1 A 52 52 LYS HA H 52 4.301 4.125 0.176 1
1 577 . 19 1 1 A 52 52 LYS C C 52 179.918 179.568 0.350 1
1 578 . 19 1 1 A 52 52 LYS CA C 52 60.046 59.286 0.760 1
1 579 . 19 1 1 A 52 52 LYS CB C 52 33.392 32.470 0.922 1
1 583 . 19 1 1 A 52 52 LYS N N 52 121.422 119.637 1.785 1
1 584 . 19 1 1 A 53 53 ILE H H 53 8.775 8.179 0.596 1
1 585 . 19 1 1 A 53 53 ILE HA H 53 3.866 3.755 0.111 1
1 595 . 19 1 1 A 53 53 ILE C C 53 177.447 178.594 -1.147 1
1 596 . 19 1 1 A 53 53 ILE CA C 53 64.285 65.286 -1.001 1
1 597 . 19 1 1 A 53 53 ILE CB C 53 38.066 37.619 0.447 1
1 601 . 19 1 1 A 53 53 ILE N N 53 119.411 120.275 -0.864 1
1 602 . 19 1 1 A 54 54 TRP H H 54 8.052 8.134 -0.082 1
1 603 . 19 1 1 A 54 54 TRP HA H 54 4.005 4.155 -0.150 1
1 612 . 19 1 1 A 54 54 TRP C C 54 179.712 178.382 1.330 1
1 613 . 19 1 1 A 54 54 TRP CA C 54 63.406 61.400 2.006 1
1 614 . 19 1 1 A 54 54 TRP CB C 54 28.935 29.384 -0.449 1
1 620 . 19 1 1 A 54 54 TRP N N 54 122.233 122.360 -0.127 1
1 622 . 19 1 1 A 55 55 PHE H H 55 8.720 8.254 0.466 1
1 623 . 19 1 1 A 55 55 PHE HA H 55 3.786 4.236 -0.450 1
1 631 . 19 1 1 A 55 55 PHE C C 55 177.753 178.137 -0.384 1
1 632 . 19 1 1 A 55 55 PHE CA C 55 63.194 61.613 1.581 1
1 633 . 19 1 1 A 55 55 PHE CB C 55 39.739 38.178 1.561 1
1 639 . 19 1 1 A 55 55 PHE N N 55 118.671 117.088 1.583 1
1 640 . 19 1 1 A 56 56 GLN H H 56 8.294 7.879 0.415 1
1 641 . 19 1 1 A 56 56 GLN HA H 56 3.952 4.188 -0.236 1
1 648 . 19 1 1 A 56 56 GLN C C 56 179.029 178.171 0.858 1
1 649 . 19 1 1 A 56 56 GLN CA C 56 59.414 58.961 0.453 1
1 650 . 19 1 1 A 56 56 GLN CB C 56 28.724 28.851 -0.127 1
1 652 . 19 1 1 A 56 56 GLN N N 56 118.357 120.609 -2.252 1
1 654 . 19 1 1 A 57 57 ASN H H 57 8.580 8.664 -0.084 1
1 655 . 19 1 1 A 57 57 ASN HA H 57 4.315 4.448 -0.133 1
1 660 . 19 1 1 A 57 57 ASN C C 57 177.717 178.350 -0.633 1
1 661 . 19 1 1 A 57 57 ASN CA C 57 55.541 55.540 0.001 1
1 662 . 19 1 1 A 57 57 ASN CB C 57 37.796 38.086 -0.290 1
1 663 . 19 1 1 A 57 57 ASN N N 57 118.858 118.652 0.206 1
1 665 . 19 1 1 A 58 58 LYS H H 58 7.761 7.286 0.475 1
1 666 . 19 1 1 A 58 58 LYS HA H 58 3.416 3.764 -0.348 1
1 675 . 19 1 1 A 58 58 LYS C C 58 178.937 179.403 -0.466 1
1 676 . 19 1 1 A 58 58 LYS CA C 58 57.292 59.116 -1.824 1
1 677 . 19 1 1 A 58 58 LYS CB C 58 30.746 31.332 -0.586 1
1 681 . 19 1 1 A 58 58 LYS N N 58 122.418 121.381 1.037 1
1 682 . 19 1 1 A 59 59 ARG H H 59 7.965 7.634 0.331 1
1 683 . 19 1 1 A 59 59 ARG HA H 59 4.078 4.208 -0.130 1
1 690 . 19 1 1 A 59 59 ARG C C 59 178.804 179.063 -0.259 1
1 691 . 19 1 1 A 59 59 ARG CA C 59 60.056 59.950 0.106 1
1 692 . 19 1 1 A 59 59 ARG CB C 59 31.573 30.038 1.535 1
1 695 . 19 1 1 A 59 59 ARG N N 59 116.992 119.699 -2.707 1
1 696 . 19 1 1 A 60 60 SER H H 60 7.733 7.526 0.207 1
1 697 . 19 1 1 A 60 60 SER HA H 60 4.308 4.098 0.210 1
1 700 . 19 1 1 A 60 60 SER C C 60 175.262 177.288 -2.026 1
1 701 . 19 1 1 A 60 60 SER CA C 60 60.550 61.652 -1.102 1
1 702 . 19 1 1 A 60 60 SER CB C 60 63.304 63.031 0.273 1
1 703 . 19 1 1 A 60 60 SER N N 60 113.717 114.958 -1.241 1
1 704 . 19 1 1 A 61 61 LYS H H 61 7.622 8.033 -0.411 1
1 705 . 19 1 1 A 61 61 LYS HA H 61 4.218 4.116 0.102 1
1 714 . 19 1 1 A 61 61 LYS C C 61 177.402 177.663 -0.261 1
1 715 . 19 1 1 A 61 61 LYS CA C 61 56.989 59.396 -2.407 1
1 716 . 19 1 1 A 61 61 LYS CB C 61 32.486 32.067 0.419 1
1 720 . 19 1 1 A 61 61 LYS N N 61 121.107 120.290 0.817 1
1 721 . 19 1 1 A 62 62 ILE H H 62 7.632 7.355 0.277 1
1 722 . 19 1 1 A 62 62 ILE HA H 62 4.074 4.028 0.046 1
1 732 . 19 1 1 A 62 62 ILE C C 62 176.614 176.380 0.234 1
1 733 . 19 1 1 A 62 62 ILE CA C 62 61.960 62.342 -0.382 1
1 734 . 19 1 1 A 62 62 ILE CB C 62 38.231 37.945 0.286 1
1 738 . 19 1 1 A 62 62 ILE N N 62 119.268 120.545 -1.277 1
1 739 . 19 1 1 A 63 63 LYS H H 63 8.100 8.284 -0.184 1
1 740 . 19 1 1 A 63 63 LYS HA H 63 4.304 4.095 0.209 1
1 747 . 19 1 1 A 63 63 LYS C C 63 176.623 176.768 -0.145 1
1 748 . 19 1 1 A 63 63 LYS CA C 63 56.672 57.503 -0.831 1
1 749 . 19 1 1 A 63 63 LYS CB C 63 32.898 32.740 0.158 1
1 753 . 19 1 1 A 63 63 LYS N N 63 124.673 127.397 -2.724 1
1 754 . 19 1 1 A 64 64 LYS H H 64 8.272 8.366 -0.094 1
1 755 . 19 1 1 A 64 64 LYS C C 64 176.619 176.727 -0.108 1
1 756 . 19 1 1 A 64 64 LYS CA C 64 56.531 56.550 -0.019 1
1 757 . 19 1 1 A 64 64 LYS CB C 64 33.017 33.380 -0.363 1
1 758 . 19 1 1 A 64 64 LYS N N 64 122.722 124.891 -2.169 1
1 759 . 19 1 1 A 65 65 SER HA H 65 4.533 4.360 0.173 1
1 762 . 19 1 1 A 65 65 SER C C 65 174.501 174.161 0.340 1
1 763 . 19 1 1 A 65 65 SER CA C 65 58.364 59.673 -1.309 1
1 764 . 19 1 1 A 65 65 SER CB C 65 64.210 63.077 1.133 1
1 765 . 19 1 1 A 66 66 GLY H H 66 8.264 8.552 -0.288 1
1 766 . 19 1 1 A 66 66 GLY C C 66 171.884 174.052 -2.168 1
1 767 . 19 1 1 A 66 66 GLY CA C 66 44.719 44.153 0.566 1
1 768 . 19 1 1 A 66 66 GLY N N 66 110.727 112.775 -2.048 1
1 772 . 19 1 1 A 67 67 PRO CA C 67 63.385 64.838 -1.453 1
1 773 . 19 1 1 A 67 67 PRO CB C 67 32.419 31.817 0.602 1
1 1 . 20 1 1 A 8 8 ARG HA H 8 4.360 4.244 0.116 1
1 8 . 20 1 1 A 8 8 ARG C C 8 176.260 176.222 0.038 1
1 9 . 20 1 1 A 8 8 ARG CA C 8 55.966 56.354 -0.388 1
1 10 . 20 1 1 A 8 8 ARG CB C 8 30.838 30.454 0.384 1
1 13 . 20 1 1 A 9 9 LYS H H 9 8.400 8.484 -0.084 1
1 14 . 20 1 1 A 9 9 LYS C C 9 174.555 176.451 -1.896 1
1 15 . 20 1 1 A 9 9 LYS CA C 9 54.274 61.493 -7.219 1
1 16 . 20 1 1 A 9 9 LYS CB C 9 32.440 30.335 2.105 1
1 17 . 20 1 1 A 9 9 LYS N N 9 124.470 127.101 -2.631 1
1 18 . 20 1 1 A 10 10 PRO HA H 10 4.441 4.511 -0.070 1
1 25 . 20 1 1 A 10 10 PRO C C 10 176.789 177.016 -0.227 1
1 26 . 20 1 1 A 10 10 PRO CA C 10 63.088 62.730 0.358 1
1 27 . 20 1 1 A 10 10 PRO CB C 10 32.156 32.650 -0.494 1
1 30 . 20 1 1 A 11 11 ARG H H 11 8.471 8.738 -0.267 1
1 31 . 20 1 1 A 11 11 ARG HA H 11 4.370 4.061 0.309 1
1 36 . 20 1 1 A 11 11 ARG C C 11 176.400 175.679 0.721 1
1 37 . 20 1 1 A 11 11 ARG CA C 11 56.439 56.903 -0.464 1
1 38 . 20 1 1 A 11 11 ARG CB C 11 30.710 28.057 2.653 1
1 40 . 20 1 1 A 11 11 ARG N N 11 121.881 121.122 0.759 1
1 41 . 20 1 1 A 12 12 THR HA H 12 4.270 4.290 -0.020 1
1 46 . 20 1 1 A 12 12 THR C C 12 173.737 175.981 -2.244 1
1 47 . 20 1 1 A 12 12 THR CA C 12 62.101 63.949 -1.848 1
1 48 . 20 1 1 A 12 12 THR CB C 12 69.896 69.538 0.358 1
1 50 . 20 1 1 A 13 13 ILE H H 13 8.215 8.727 -0.512 1
1 51 . 20 1 1 A 13 13 ILE HA H 13 4.063 3.831 0.232 1
1 61 . 20 1 1 A 13 13 ILE C C 13 175.361 175.771 -0.410 1
1 62 . 20 1 1 A 13 13 ILE CA C 13 61.109 63.590 -2.481 1
1 63 . 20 1 1 A 13 13 ILE CB C 13 38.748 38.150 0.598 1
1 67 . 20 1 1 A 13 13 ILE N N 13 124.648 124.261 0.387 1
1 68 . 20 1 1 A 14 14 TYR H H 14 7.928 7.880 0.048 1
1 69 . 20 1 1 A 14 14 TYR HA H 14 4.923 5.327 -0.404 1
1 76 . 20 1 1 A 14 14 TYR C C 14 176.009 175.499 0.510 1
1 77 . 20 1 1 A 14 14 TYR CA C 14 56.425 56.789 -0.364 1
1 78 . 20 1 1 A 14 14 TYR CB C 14 39.984 42.389 -2.405 1
1 83 . 20 1 1 A 14 14 TYR N N 14 122.287 120.158 2.129 1
1 84 . 20 1 1 A 15 15 SER H H 15 9.368 8.377 0.991 1
1 85 . 20 1 1 A 15 15 SER HA H 15 4.639 4.618 0.021 1
1 88 . 20 1 1 A 15 15 SER C C 15 175.065 176.088 -1.023 1
1 89 . 20 1 1 A 15 15 SER CA C 15 56.918 59.047 -2.129 1
1 90 . 20 1 1 A 15 15 SER CB C 15 65.646 63.946 1.700 1
1 91 . 20 1 1 A 15 15 SER N N 15 119.482 121.864 -2.382 1
1 92 . 20 1 1 A 16 16 SER HA H 16 4.181 4.135 0.046 1
1 95 . 20 1 1 A 16 16 SER CA C 16 62.192 61.993 0.199 1
1 96 . 20 1 1 A 16 16 SER CB C 16 62.188 62.397 -0.209 1
1 97 . 20 1 1 A 17 17 PHE H H 17 7.815 8.190 -0.375 1
1 98 . 20 1 1 A 17 17 PHE HA H 17 4.313 4.112 0.201 1
1 106 . 20 1 1 A 17 17 PHE C C 17 177.979 178.018 -0.039 1
1 107 . 20 1 1 A 17 17 PHE CA C 17 60.981 61.842 -0.861 1
1 108 . 20 1 1 A 17 17 PHE CB C 17 39.519 39.391 0.128 1
1 114 . 20 1 1 A 17 17 PHE N N 17 119.320 122.651 -3.331 1
1 115 . 20 1 1 A 18 18 GLN H H 18 7.816 8.242 -0.426 1
1 116 . 20 1 1 A 18 18 GLN HA H 18 3.720 3.857 -0.137 1
1 123 . 20 1 1 A 18 18 GLN C C 18 177.456 178.722 -1.266 1
1 124 . 20 1 1 A 18 18 GLN CA C 18 58.902 58.635 0.267 1
1 125 . 20 1 1 A 18 18 GLN CB C 18 28.118 28.341 -0.223 1
1 127 . 20 1 1 A 18 18 GLN N N 18 119.339 118.444 0.895 1
1 129 . 20 1 1 A 19 19 LEU H H 19 8.583 8.435 0.148 1
1 130 . 20 1 1 A 19 19 LEU HA H 19 3.570 3.771 -0.201 1
1 140 . 20 1 1 A 19 19 LEU C C 19 178.761 178.685 0.076 1
1 141 . 20 1 1 A 19 19 LEU CA C 19 57.837 57.858 -0.021 1
1 142 . 20 1 1 A 19 19 LEU CB C 19 41.883 42.233 -0.350 1
1 146 . 20 1 1 A 19 19 LEU N N 19 117.368 120.799 -3.431 1
1 147 . 20 1 1 A 20 20 ALA H H 20 7.918 8.768 -0.850 1
1 148 . 20 1 1 A 20 20 ALA HA H 20 4.019 3.992 0.027 1
1 152 . 20 1 1 A 20 20 ALA C C 20 180.256 179.665 0.591 1
1 153 . 20 1 1 A 20 20 ALA CA C 20 54.944 55.679 -0.735 1
1 154 . 20 1 1 A 20 20 ALA CB C 20 17.731 18.704 -0.973 1
1 155 . 20 1 1 A 20 20 ALA N N 20 120.010 120.893 -0.883 1
1 156 . 20 1 1 A 21 21 ALA H H 21 7.313 7.801 -0.488 1
1 157 . 20 1 1 A 21 21 ALA HA H 21 3.945 4.022 -0.077 1
1 161 . 20 1 1 A 21 21 ALA C C 21 181.088 179.455 1.633 1
1 162 . 20 1 1 A 21 21 ALA CA C 21 54.749 54.862 -0.113 1
1 163 . 20 1 1 A 21 21 ALA CB C 21 19.723 18.102 1.621 1
1 164 . 20 1 1 A 21 21 ALA N N 21 120.493 120.110 0.383 1
1 165 . 20 1 1 A 22 22 LEU H H 22 8.049 7.902 0.147 1
1 166 . 20 1 1 A 22 22 LEU HA H 22 3.507 3.594 -0.087 1
1 176 . 20 1 1 A 22 22 LEU C C 22 177.768 178.527 -0.759 1
1 177 . 20 1 1 A 22 22 LEU CA C 22 58.418 57.525 0.893 1
1 178 . 20 1 1 A 22 22 LEU CB C 22 38.280 40.852 -2.572 1
1 182 . 20 1 1 A 22 22 LEU N N 22 121.618 118.469 3.149 1
1 183 . 20 1 1 A 23 23 GLN H H 23 8.047 8.253 -0.206 1
1 184 . 20 1 1 A 23 23 GLN HA H 23 4.042 4.028 0.014 1
1 191 . 20 1 1 A 23 23 GLN C C 23 178.945 178.659 0.286 1
1 192 . 20 1 1 A 23 23 GLN CA C 23 59.172 59.332 -0.160 1
1 193 . 20 1 1 A 23 23 GLN CB C 23 28.225 28.134 0.091 1
1 195 . 20 1 1 A 23 23 GLN N N 23 117.012 116.970 0.042 1
1 197 . 20 1 1 A 24 24 ARG H H 24 7.956 7.767 0.189 1
1 198 . 20 1 1 A 24 24 ARG HA H 24 4.098 3.993 0.105 1
1 205 . 20 1 1 A 24 24 ARG C C 24 179.440 178.510 0.930 1
1 206 . 20 1 1 A 24 24 ARG CA C 24 59.443 59.111 0.332 1
1 207 . 20 1 1 A 24 24 ARG CB C 24 30.290 29.875 0.415 1
1 210 . 20 1 1 A 24 24 ARG N N 24 118.511 120.620 -2.109 1
1 211 . 20 1 1 A 25 25 ARG H H 25 7.768 7.762 0.006 1
1 212 . 20 1 1 A 25 25 ARG HA H 25 4.380 4.107 0.273 1
1 219 . 20 1 1 A 25 25 ARG C C 25 177.933 178.730 -0.797 1
1 220 . 20 1 1 A 25 25 ARG CA C 25 56.993 58.925 -1.932 1
1 221 . 20 1 1 A 25 25 ARG CB C 25 28.118 29.902 -1.784 1
1 224 . 20 1 1 A 25 25 ARG N N 25 119.018 119.344 -0.326 1
1 225 . 20 1 1 A 26 26 PHE H H 26 8.739 8.039 0.700 1
1 226 . 20 1 1 A 26 26 PHE HA H 26 4.680 4.271 0.409 1
1 234 . 20 1 1 A 26 26 PHE C C 26 175.842 177.774 -1.932 1
1 235 . 20 1 1 A 26 26 PHE CA C 26 60.339 61.530 -1.191 1
1 236 . 20 1 1 A 26 26 PHE CB C 26 39.477 39.377 0.100 1
1 242 . 20 1 1 A 26 26 PHE N N 26 121.838 120.452 1.386 1
1 243 . 20 1 1 A 27 27 GLN H H 27 7.712 8.254 -0.542 1
1 244 . 20 1 1 A 27 27 GLN HA H 27 3.979 3.706 0.273 1
1 251 . 20 1 1 A 27 27 GLN C C 27 177.336 177.934 -0.598 1
1 252 . 20 1 1 A 27 27 GLN CA C 27 57.877 59.554 -1.677 1
1 253 . 20 1 1 A 27 27 GLN CB C 27 28.809 29.017 -0.208 1
1 255 . 20 1 1 A 27 27 GLN N N 27 113.533 118.183 -4.650 1
1 257 . 20 1 1 A 28 28 LYS H H 28 7.469 7.220 0.249 1
1 258 . 20 1 1 A 28 28 LYS HA H 28 4.316 4.105 0.211 1
1 267 . 20 1 1 A 28 28 LYS C C 28 177.011 175.709 1.302 1
1 268 . 20 1 1 A 28 28 LYS CA C 28 57.805 58.822 -1.017 1
1 269 . 20 1 1 A 28 28 LYS CB C 28 33.639 33.428 0.211 1
1 273 . 20 1 1 A 28 28 LYS N N 28 117.851 119.770 -1.919 1
1 274 . 20 1 1 A 29 29 THR H H 29 8.373 7.601 0.772 1
1 275 . 20 1 1 A 29 29 THR HA H 29 4.457 4.572 -0.115 1
1 280 . 20 1 1 A 29 29 THR C C 29 171.650 173.290 -1.640 1
1 281 . 20 1 1 A 29 29 THR CA C 29 59.598 60.106 -0.508 1
1 282 . 20 1 1 A 29 29 THR CB C 29 70.546 70.856 -0.310 1
1 284 . 20 1 1 A 29 29 THR N N 29 113.944 111.447 2.497 1
1 285 . 20 1 1 A 30 30 GLN H H 30 8.210 8.389 -0.179 1
1 286 . 20 1 1 A 30 30 GLN HA H 30 3.863 3.971 -0.108 1
1 293 . 20 1 1 A 30 30 GLN C C 30 174.111 175.459 -1.348 1
1 294 . 20 1 1 A 30 30 GLN CA C 30 56.868 57.385 -0.517 1
1 295 . 20 1 1 A 30 30 GLN CB C 30 27.841 29.433 -1.592 1
1 297 . 20 1 1 A 30 30 GLN N N 30 121.138 123.920 -2.782 1
1 299 . 20 1 1 A 31 31 TYR H H 31 7.532 7.428 0.104 1
1 300 . 20 1 1 A 31 31 TYR HA H 31 4.700 5.210 -0.510 1
1 307 . 20 1 1 A 31 31 TYR C C 31 174.485 175.273 -0.788 1
1 308 . 20 1 1 A 31 31 TYR CA C 31 56.954 57.133 -0.179 1
1 309 . 20 1 1 A 31 31 TYR CB C 31 41.374 40.979 0.395 1
1 314 . 20 1 1 A 31 31 TYR N N 31 114.987 116.875 -1.888 1
1 315 . 20 1 1 A 32 32 LEU H H 32 8.382 8.819 -0.437 1
1 316 . 20 1 1 A 32 32 LEU HA H 32 4.486 4.969 -0.483 1
1 326 . 20 1 1 A 32 32 LEU C C 32 176.526 176.736 -0.210 1
1 327 . 20 1 1 A 32 32 LEU CA C 32 53.216 53.275 -0.059 1
1 328 . 20 1 1 A 32 32 LEU CB C 32 44.134 45.169 -1.035 1
1 332 . 20 1 1 A 32 32 LEU N N 32 123.429 122.445 0.984 1
1 333 . 20 1 1 A 33 33 ALA H H 33 8.805 8.828 -0.023 1
1 334 . 20 1 1 A 33 33 ALA HA H 33 4.469 4.507 -0.038 1
1 338 . 20 1 1 A 33 33 ALA C C 33 178.230 177.510 0.720 1
1 339 . 20 1 1 A 33 33 ALA CA C 33 51.183 51.993 -0.810 1
1 340 . 20 1 1 A 33 33 ALA CB C 33 19.852 19.899 -0.047 1
1 341 . 20 1 1 A 33 33 ALA N N 33 126.131 125.898 0.233 1
1 342 . 20 1 1 A 34 34 LEU H H 34 8.898 8.733 0.165 1
1 343 . 20 1 1 A 34 34 LEU HA H 34 4.088 4.053 0.035 1
1 353 . 20 1 1 A 34 34 LEU C C 34 178.245 175.476 2.769 1
1 354 . 20 1 1 A 34 34 LEU CA C 34 60.712 59.540 1.172 1
1 355 . 20 1 1 A 34 34 LEU CB C 34 39.135 40.670 -1.535 1
1 359 . 20 1 1 A 34 34 LEU N N 34 122.061 120.572 1.489 1
1 360 . 20 1 1 A 35 35 PRO HA H 35 4.378 4.367 0.011 1
1 367 . 20 1 1 A 35 35 PRO C C 35 179.888 178.940 0.948 1
1 368 . 20 1 1 A 35 35 PRO CA C 35 65.894 65.183 0.711 1
1 369 . 20 1 1 A 35 35 PRO CB C 35 30.618 31.143 -0.525 1
1 372 . 20 1 1 A 36 36 GLU H H 36 6.984 8.416 -1.432 1
1 373 . 20 1 1 A 36 36 GLU HA H 36 4.192 4.043 0.149 1
1 378 . 20 1 1 A 36 36 GLU C C 36 179.230 179.257 -0.027 1
1 379 . 20 1 1 A 36 36 GLU CA C 36 58.631 59.913 -1.282 1
1 380 . 20 1 1 A 36 36 GLU CB C 36 30.290 29.027 1.263 1
1 382 . 20 1 1 A 36 36 GLU N N 36 116.910 118.346 -1.436 1
1 383 . 20 1 1 A 37 37 ARG H H 37 8.489 8.084 0.405 1
1 384 . 20 1 1 A 37 37 ARG HA H 37 3.741 3.867 -0.126 1
1 391 . 20 1 1 A 37 37 ARG C C 37 177.835 177.953 -0.118 1
1 392 . 20 1 1 A 37 37 ARG CA C 37 60.076 59.142 0.934 1
1 393 . 20 1 1 A 37 37 ARG CB C 37 30.775 29.992 0.783 1
1 396 . 20 1 1 A 37 37 ARG N N 37 121.545 120.793 0.752 1
1 397 . 20 1 1 A 38 38 ALA H H 38 8.308 7.777 0.531 1
1 398 . 20 1 1 A 38 38 ALA HA H 38 3.941 4.078 -0.137 1
1 402 . 20 1 1 A 38 38 ALA C C 38 180.311 180.242 0.069 1
1 403 . 20 1 1 A 38 38 ALA CA C 38 55.446 55.077 0.369 1
1 404 . 20 1 1 A 38 38 ALA CB C 38 18.082 18.151 -0.069 1
1 405 . 20 1 1 A 38 38 ALA N N 38 120.571 121.446 -0.875 1
1 406 . 20 1 1 A 39 39 GLU H H 39 7.819 7.843 -0.024 1
1 407 . 20 1 1 A 39 39 GLU HA H 39 4.125 3.936 0.189 1
1 412 . 20 1 1 A 39 39 GLU C C 39 178.851 179.401 -0.550 1
1 413 . 20 1 1 A 39 39 GLU CA C 39 59.257 59.478 -0.221 1
1 414 . 20 1 1 A 39 39 GLU CB C 39 29.806 29.217 0.589 1
1 416 . 20 1 1 A 39 39 GLU N N 39 119.614 118.564 1.050 1
1 417 . 20 1 1 A 40 40 LEU H H 40 8.251 7.544 0.707 1
1 418 . 20 1 1 A 40 40 LEU HA H 40 4.149 3.956 0.193 1
1 428 . 20 1 1 A 40 40 LEU C C 40 178.939 179.318 -0.379 1
1 429 . 20 1 1 A 40 40 LEU CA C 40 57.625 57.906 -0.281 1
1 430 . 20 1 1 A 40 40 LEU CB C 40 42.239 41.325 0.914 1
1 434 . 20 1 1 A 40 40 LEU N N 40 121.912 120.315 1.597 1
1 435 . 20 1 1 A 41 41 ALA H H 41 8.449 7.974 0.475 1
1 436 . 20 1 1 A 41 41 ALA HA H 41 3.629 4.117 -0.488 1
1 440 . 20 1 1 A 41 41 ALA C C 41 179.199 179.339 -0.140 1
1 441 . 20 1 1 A 41 41 ALA CA C 41 56.202 54.629 1.573 1
1 442 . 20 1 1 A 41 41 ALA CB C 41 17.819 18.120 -0.301 1
1 443 . 20 1 1 A 41 41 ALA N N 41 120.020 121.756 -1.736 1
1 444 . 20 1 1 A 42 42 ALA H H 42 7.800 7.865 -0.065 1
1 445 . 20 1 1 A 42 42 ALA HA H 42 4.240 4.272 -0.032 1
1 449 . 20 1 1 A 42 42 ALA C C 42 181.146 179.749 1.397 1
1 450 . 20 1 1 A 42 42 ALA CA C 42 54.991 54.842 0.149 1
1 451 . 20 1 1 A 42 42 ALA CB C 42 17.983 18.748 -0.765 1
1 452 . 20 1 1 A 42 42 ALA N N 42 118.414 120.172 -1.758 1
1 453 . 20 1 1 A 43 43 SER H H 43 8.172 8.359 -0.187 1
1 454 . 20 1 1 A 43 43 SER HA H 43 4.314 4.348 -0.034 1
1 457 . 20 1 1 A 43 43 SER C C 43 175.817 176.225 -0.408 1
1 458 . 20 1 1 A 43 43 SER CA C 43 61.138 62.237 -1.099 1
1 459 . 20 1 1 A 43 43 SER CB C 43 63.341 63.610 -0.269 1
1 460 . 20 1 1 A 43 43 SER N N 43 113.508 115.179 -1.671 1
1 461 . 20 1 1 A 44 44 LEU H H 44 7.701 8.063 -0.362 1
1 462 . 20 1 1 A 44 44 LEU HA H 44 4.662 4.328 0.334 1
1 472 . 20 1 1 A 44 44 LEU C C 44 177.588 177.014 0.574 1
1 473 . 20 1 1 A 44 44 LEU CA C 44 54.556 55.279 -0.723 1
1 474 . 20 1 1 A 44 44 LEU CB C 44 44.134 42.376 1.758 1
1 478 . 20 1 1 A 44 44 LEU N N 44 117.384 118.513 -1.129 1
1 479 . 20 1 1 A 45 45 GLY H H 45 7.971 7.969 0.002 1
1 480 . 20 1 1 A 45 45 GLY HA2 H 45 4.130 3.983 0.147 1
1 481 . 20 1 1 A 45 45 GLY HA3 H 45 3.991 4.007 -0.016 1
1 482 . 20 1 1 A 45 45 GLY C C 45 174.538 174.233 0.305 1
1 483 . 20 1 1 A 45 45 GLY CA C 45 46.623 46.199 0.424 1
1 484 . 20 1 1 A 45 45 GLY N N 45 110.156 108.182 1.974 1
1 485 . 20 1 1 A 46 46 LEU H H 46 8.012 7.982 0.030 1
1 486 . 20 1 1 A 46 46 LEU HA H 46 4.914 4.828 0.086 1
1 496 . 20 1 1 A 46 46 LEU C C 46 176.613 175.633 0.980 1
1 497 . 20 1 1 A 46 46 LEU CA C 46 52.652 53.495 -0.843 1
1 498 . 20 1 1 A 46 46 LEU CB C 46 46.882 42.869 4.013 1
1 502 . 20 1 1 A 46 46 LEU N N 46 119.755 121.809 -2.054 1
1 503 . 20 1 1 A 47 47 THR H H 47 8.846 8.396 0.450 1
1 504 . 20 1 1 A 47 47 THR HA H 47 4.681 4.852 -0.171 1
1 509 . 20 1 1 A 47 47 THR C C 47 176.869 175.509 1.360 1
1 510 . 20 1 1 A 47 47 THR CA C 47 60.326 59.471 0.855 1
1 511 . 20 1 1 A 47 47 THR CB C 47 70.720 70.934 -0.214 1
1 513 . 20 1 1 A 47 47 THR N N 47 109.908 113.987 -4.079 1
1 514 . 20 1 1 A 48 48 GLN H H 48 9.324 9.158 0.166 1
1 515 . 20 1 1 A 48 48 GLN HA H 48 3.708 3.975 -0.267 1
1 522 . 20 1 1 A 48 48 GLN C C 48 178.548 177.798 0.750 1
1 523 . 20 1 1 A 48 48 GLN CA C 48 60.839 59.795 1.044 1
1 524 . 20 1 1 A 48 48 GLN CB C 48 27.998 28.191 -0.193 1
1 526 . 20 1 1 A 48 48 GLN N N 48 120.589 126.449 -5.860 1
1 528 . 20 1 1 A 49 49 THR H H 49 8.172 7.994 0.178 1
1 529 . 20 1 1 A 49 49 THR HA H 49 3.908 4.031 -0.123 1
1 534 . 20 1 1 A 49 49 THR CA C 49 66.920 66.187 0.733 1
1 535 . 20 1 1 A 49 49 THR CB C 49 68.671 68.498 0.173 1
1 537 . 20 1 1 A 49 49 THR N N 49 115.925 117.890 -1.965 1
1 538 . 20 1 1 A 50 50 GLN H H 50 8.005 8.298 -0.293 1
1 539 . 20 1 1 A 50 50 GLN HA H 50 4.049 4.432 -0.383 1
1 546 . 20 1 1 A 50 50 GLN C C 50 180.191 178.083 2.108 1
1 547 . 20 1 1 A 50 50 GLN CA C 50 59.633 57.823 1.810 1
1 548 . 20 1 1 A 50 50 GLN CB C 50 28.965 29.775 -0.810 1
1 550 . 20 1 1 A 50 50 GLN N N 50 120.680 120.340 0.340 1
1 552 . 20 1 1 A 51 51 VAL H H 51 7.759 8.093 -0.334 1
1 553 . 20 1 1 A 51 51 VAL HA H 51 3.754 3.797 -0.043 1
1 561 . 20 1 1 A 51 51 VAL C C 51 176.534 178.151 -1.617 1
1 562 . 20 1 1 A 51 51 VAL CA C 51 67.618 66.571 1.047 1
1 563 . 20 1 1 A 51 51 VAL CB C 51 32.052 31.400 0.652 1
1 566 . 20 1 1 A 51 51 VAL N N 51 119.814 120.021 -0.207 1
1 567 . 20 1 1 A 52 52 LYS H H 52 8.504 8.242 0.262 1
1 568 . 20 1 1 A 52 52 LYS HA H 52 4.301 4.116 0.185 1
1 577 . 20 1 1 A 52 52 LYS C C 52 179.918 179.718 0.200 1
1 578 . 20 1 1 A 52 52 LYS CA C 52 60.046 59.705 0.341 1
1 579 . 20 1 1 A 52 52 LYS CB C 52 33.392 32.430 0.962 1
1 583 . 20 1 1 A 52 52 LYS N N 52 121.422 119.234 2.188 1
1 584 . 20 1 1 A 53 53 ILE H H 53 8.775 8.120 0.655 1
1 585 . 20 1 1 A 53 53 ILE HA H 53 3.866 3.893 -0.027 1
1 595 . 20 1 1 A 53 53 ILE C C 53 177.447 178.570 -1.123 1
1 596 . 20 1 1 A 53 53 ILE CA C 53 64.285 64.755 -0.470 1
1 597 . 20 1 1 A 53 53 ILE CB C 53 38.066 37.218 0.848 1
1 601 . 20 1 1 A 53 53 ILE N N 53 119.411 119.192 0.219 1
1 602 . 20 1 1 A 54 54 TRP H H 54 8.052 8.053 -0.001 1
1 603 . 20 1 1 A 54 54 TRP HA H 54 4.005 4.196 -0.191 1
1 612 . 20 1 1 A 54 54 TRP C C 54 179.712 178.163 1.549 1
1 613 . 20 1 1 A 54 54 TRP CA C 54 63.406 61.087 2.319 1
1 614 . 20 1 1 A 54 54 TRP CB C 54 28.935 29.465 -0.530 1
1 620 . 20 1 1 A 54 54 TRP N N 54 122.233 122.177 0.056 1
1 622 . 20 1 1 A 55 55 PHE H H 55 8.720 7.896 0.824 1
1 623 . 20 1 1 A 55 55 PHE HA H 55 3.786 4.608 -0.822 1
1 631 . 20 1 1 A 55 55 PHE C C 55 177.753 178.207 -0.454 1
1 632 . 20 1 1 A 55 55 PHE CA C 55 63.194 61.430 1.764 1
1 633 . 20 1 1 A 55 55 PHE CB C 55 39.739 39.230 0.509 1
1 639 . 20 1 1 A 55 55 PHE N N 55 118.671 117.738 0.933 1
1 640 . 20 1 1 A 56 56 GLN H H 56 8.294 8.429 -0.135 1
1 641 . 20 1 1 A 56 56 GLN HA H 56 3.952 4.013 -0.061 1
1 648 . 20 1 1 A 56 56 GLN C C 56 179.029 178.032 0.997 1
1 649 . 20 1 1 A 56 56 GLN CA C 56 59.414 58.884 0.530 1
1 650 . 20 1 1 A 56 56 GLN CB C 56 28.724 28.547 0.177 1
1 652 . 20 1 1 A 56 56 GLN N N 56 118.357 119.670 -1.313 1
1 654 . 20 1 1 A 57 57 ASN H H 57 8.580 8.179 0.401 1
1 655 . 20 1 1 A 57 57 ASN HA H 57 4.315 4.292 0.023 1
1 660 . 20 1 1 A 57 57 ASN C C 57 177.717 177.379 0.338 1
1 661 . 20 1 1 A 57 57 ASN CA C 57 55.541 56.442 -0.901 1
1 662 . 20 1 1 A 57 57 ASN CB C 57 37.796 37.980 -0.184 1
1 663 . 20 1 1 A 57 57 ASN N N 57 118.858 117.797 1.061 1
1 665 . 20 1 1 A 58 58 LYS H H 58 7.761 7.212 0.549 1
1 666 . 20 1 1 A 58 58 LYS HA H 58 3.416 3.501 -0.085 1
1 675 . 20 1 1 A 58 58 LYS C C 58 178.937 178.827 0.110 1
1 676 . 20 1 1 A 58 58 LYS CA C 58 57.292 59.566 -2.274 1
1 677 . 20 1 1 A 58 58 LYS CB C 58 30.746 31.632 -0.886 1
1 681 . 20 1 1 A 58 58 LYS N N 58 122.418 119.624 2.794 1
1 682 . 20 1 1 A 59 59 ARG H H 59 7.965 7.966 -0.001 1
1 683 . 20 1 1 A 59 59 ARG HA H 59 4.078 4.092 -0.014 1
1 690 . 20 1 1 A 59 59 ARG C C 59 178.804 178.874 -0.070 1
1 691 . 20 1 1 A 59 59 ARG CA C 59 60.056 59.837 0.219 1
1 692 . 20 1 1 A 59 59 ARG CB C 59 31.573 30.145 1.428 1
1 695 . 20 1 1 A 59 59 ARG N N 59 116.992 118.678 -1.686 1
1 696 . 20 1 1 A 60 60 SER H H 60 7.733 7.746 -0.013 1
1 697 . 20 1 1 A 60 60 SER HA H 60 4.308 4.103 0.205 1
1 700 . 20 1 1 A 60 60 SER C C 60 175.262 177.024 -1.762 1
1 701 . 20 1 1 A 60 60 SER CA C 60 60.550 61.133 -0.583 1
1 702 . 20 1 1 A 60 60 SER CB C 60 63.304 63.109 0.195 1
1 703 . 20 1 1 A 60 60 SER N N 60 113.717 114.678 -0.961 1
1 704 . 20 1 1 A 61 61 LYS H H 61 7.622 7.622 0.000 1
1 705 . 20 1 1 A 61 61 LYS HA H 61 4.218 4.038 0.180 1
1 714 . 20 1 1 A 61 61 LYS C C 61 177.402 177.426 -0.024 1
1 715 . 20 1 1 A 61 61 LYS CA C 61 56.989 59.434 -2.445 1
1 716 . 20 1 1 A 61 61 LYS CB C 61 32.486 32.099 0.387 1
1 720 . 20 1 1 A 61 61 LYS N N 61 121.107 120.585 0.522 1
1 721 . 20 1 1 A 62 62 ILE H H 62 7.632 7.357 0.275 1
1 722 . 20 1 1 A 62 62 ILE HA H 62 4.074 4.067 0.007 1
1 732 . 20 1 1 A 62 62 ILE C C 62 176.614 176.087 0.527 1
1 733 . 20 1 1 A 62 62 ILE CA C 62 61.960 62.456 -0.496 1
1 734 . 20 1 1 A 62 62 ILE CB C 62 38.231 37.910 0.321 1
1 738 . 20 1 1 A 62 62 ILE N N 62 119.268 120.523 -1.255 1
1 739 . 20 1 1 A 63 63 LYS H H 63 8.100 8.385 -0.285 1
1 740 . 20 1 1 A 63 63 LYS HA H 63 4.304 4.162 0.142 1
1 747 . 20 1 1 A 63 63 LYS C C 63 176.623 175.992 0.631 1
1 748 . 20 1 1 A 63 63 LYS CA C 63 56.672 56.583 0.089 1
1 749 . 20 1 1 A 63 63 LYS CB C 63 32.898 32.694 0.204 1
1 753 . 20 1 1 A 63 63 LYS N N 63 124.673 127.148 -2.475 1
1 754 . 20 1 1 A 64 64 LYS H H 64 8.272 8.515 -0.243 1
1 755 . 20 1 1 A 64 64 LYS C C 64 176.619 176.276 0.343 1
1 756 . 20 1 1 A 64 64 LYS CA C 64 56.531 56.227 0.304 1
1 757 . 20 1 1 A 64 64 LYS CB C 64 33.017 33.560 -0.543 1
1 758 . 20 1 1 A 64 64 LYS N N 64 122.722 123.491 -0.769 1
1 759 . 20 1 1 A 65 65 SER HA H 65 4.533 4.656 -0.123 1
1 762 . 20 1 1 A 65 65 SER C C 65 174.501 174.606 -0.105 1
1 763 . 20 1 1 A 65 65 SER CA C 65 58.364 58.550 -0.186 1
1 764 . 20 1 1 A 65 65 SER CB C 65 64.210 64.285 -0.075 1
1 765 . 20 1 1 A 66 66 GLY H H 66 8.264 8.365 -0.101 1
1 766 . 20 1 1 A 66 66 GLY C C 66 171.884 174.962 -3.078 1
1 767 . 20 1 1 A 66 66 GLY CA C 66 44.719 46.529 -1.810 1
1 768 . 20 1 1 A 66 66 GLY N N 66 110.727 113.039 -2.312 1
1 772 . 20 1 1 A 67 67 PRO CA C 67 63.385 64.730 -1.345 1
1 773 . 20 1 1 A 67 67 PRO CB C 67 32.419 31.249 1.170 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 57 1.147 1
2 1 1 1 "RMS(OBS, PRED)" CA 60 1.069 1
3 1 1 1 "RMS(OBS, PRED)" CB 58 1.248 1
4 1 1 1 "RMS(OBS, PRED)" H 53 0.457 1
5 1 1 1 "RMS(OBS, PRED)" HA 57 0.247 1
6 1 1 1 "RMS(OBS, PRED)" N 53 2.310 1
7 1 2 1 "RMS(OBS, PRED)" C 57 1.158 1
8 1 2 1 "RMS(OBS, PRED)" CA 60 1.100 1
9 1 2 1 "RMS(OBS, PRED)" CB 58 1.233 1
10 1 2 1 "RMS(OBS, PRED)" H 53 0.478 1
11 1 2 1 "RMS(OBS, PRED)" HA 57 0.228 1
12 1 2 1 "RMS(OBS, PRED)" N 53 2.388 1
13 1 3 1 "RMS(OBS, PRED)" C 57 1.122 1
14 1 3 1 "RMS(OBS, PRED)" CA 60 1.076 1
15 1 3 1 "RMS(OBS, PRED)" CB 58 1.304 1
16 1 3 1 "RMS(OBS, PRED)" H 53 0.493 1
17 1 3 1 "RMS(OBS, PRED)" HA 57 0.252 1
18 1 3 1 "RMS(OBS, PRED)" N 53 2.594 1
19 1 4 1 "RMS(OBS, PRED)" C 57 1.136 1
20 1 4 1 "RMS(OBS, PRED)" CA 60 1.065 1
21 1 4 1 "RMS(OBS, PRED)" CB 58 1.213 1
22 1 4 1 "RMS(OBS, PRED)" H 53 0.444 1
23 1 4 1 "RMS(OBS, PRED)" HA 57 0.270 1
24 1 4 1 "RMS(OBS, PRED)" N 53 2.210 1
25 1 5 1 "RMS(OBS, PRED)" C 57 1.140 1
26 1 5 1 "RMS(OBS, PRED)" CA 60 1.139 1
27 1 5 1 "RMS(OBS, PRED)" CB 58 1.147 1
28 1 5 1 "RMS(OBS, PRED)" H 53 0.467 1
29 1 5 1 "RMS(OBS, PRED)" HA 57 0.252 1
30 1 5 1 "RMS(OBS, PRED)" N 53 2.262 1
31 1 6 1 "RMS(OBS, PRED)" C 57 1.078 1
32 1 6 1 "RMS(OBS, PRED)" CA 60 1.091 1
33 1 6 1 "RMS(OBS, PRED)" CB 58 1.127 1
34 1 6 1 "RMS(OBS, PRED)" H 53 0.451 1
35 1 6 1 "RMS(OBS, PRED)" HA 57 0.221 1
36 1 6 1 "RMS(OBS, PRED)" N 53 2.251 1
37 1 7 1 "RMS(OBS, PRED)" C 57 1.130 1
38 1 7 1 "RMS(OBS, PRED)" CA 60 1.270 1
39 1 7 1 "RMS(OBS, PRED)" CB 58 1.043 1
40 1 7 1 "RMS(OBS, PRED)" H 53 0.435 1
41 1 7 1 "RMS(OBS, PRED)" HA 57 0.243 1
42 1 7 1 "RMS(OBS, PRED)" N 53 2.482 1
43 1 8 1 "RMS(OBS, PRED)" C 57 1.195 1
44 1 8 1 "RMS(OBS, PRED)" CA 60 1.181 1
45 1 8 1 "RMS(OBS, PRED)" CB 58 1.237 1
46 1 8 1 "RMS(OBS, PRED)" H 53 0.448 1
47 1 8 1 "RMS(OBS, PRED)" HA 57 0.278 1
48 1 8 1 "RMS(OBS, PRED)" N 53 2.705 1
49 1 9 1 "RMS(OBS, PRED)" C 57 1.112 1
50 1 9 1 "RMS(OBS, PRED)" CA 60 1.169 1
51 1 9 1 "RMS(OBS, PRED)" CB 58 1.221 1
52 1 9 1 "RMS(OBS, PRED)" H 53 0.477 1
53 1 9 1 "RMS(OBS, PRED)" HA 57 0.246 1
54 1 9 1 "RMS(OBS, PRED)" N 53 2.596 1
55 1 10 1 "RMS(OBS, PRED)" C 57 1.094 1
56 1 10 1 "RMS(OBS, PRED)" CA 60 1.048 1
57 1 10 1 "RMS(OBS, PRED)" CB 58 1.116 1
58 1 10 1 "RMS(OBS, PRED)" H 53 0.461 1
59 1 10 1 "RMS(OBS, PRED)" HA 57 0.214 1
60 1 10 1 "RMS(OBS, PRED)" N 53 2.608 1
61 1 11 1 "RMS(OBS, PRED)" C 57 1.095 1
62 1 11 1 "RMS(OBS, PRED)" CA 60 1.072 1
63 1 11 1 "RMS(OBS, PRED)" CB 58 1.226 1
64 1 11 1 "RMS(OBS, PRED)" H 53 0.433 1
65 1 11 1 "RMS(OBS, PRED)" HA 57 0.254 1
66 1 11 1 "RMS(OBS, PRED)" N 53 2.301 1
67 1 12 1 "RMS(OBS, PRED)" C 57 1.182 1
68 1 12 1 "RMS(OBS, PRED)" CA 60 1.290 1
69 1 12 1 "RMS(OBS, PRED)" CB 58 1.237 1
70 1 12 1 "RMS(OBS, PRED)" H 53 0.454 1
71 1 12 1 "RMS(OBS, PRED)" HA 57 0.263 1
72 1 12 1 "RMS(OBS, PRED)" N 53 2.476 1
73 1 13 1 "RMS(OBS, PRED)" C 57 1.095 1
74 1 13 1 "RMS(OBS, PRED)" CA 60 1.123 1
75 1 13 1 "RMS(OBS, PRED)" CB 58 1.309 1
76 1 13 1 "RMS(OBS, PRED)" H 53 0.467 1
77 1 13 1 "RMS(OBS, PRED)" HA 57 0.246 1
78 1 13 1 "RMS(OBS, PRED)" N 53 2.525 1
79 1 14 1 "RMS(OBS, PRED)" C 57 1.090 1
80 1 14 1 "RMS(OBS, PRED)" CA 60 1.249 1
81 1 14 1 "RMS(OBS, PRED)" CB 58 1.396 1
82 1 14 1 "RMS(OBS, PRED)" H 53 0.437 1
83 1 14 1 "RMS(OBS, PRED)" HA 57 0.260 1
84 1 14 1 "RMS(OBS, PRED)" N 53 2.390 1
85 1 15 1 "RMS(OBS, PRED)" C 57 1.047 1
86 1 15 1 "RMS(OBS, PRED)" CA 60 1.195 1
87 1 15 1 "RMS(OBS, PRED)" CB 58 1.117 1
88 1 15 1 "RMS(OBS, PRED)" H 53 0.432 1
89 1 15 1 "RMS(OBS, PRED)" HA 57 0.250 1
90 1 15 1 "RMS(OBS, PRED)" N 53 2.220 1
91 1 16 1 "RMS(OBS, PRED)" C 57 1.030 1
92 1 16 1 "RMS(OBS, PRED)" CA 60 1.149 1
93 1 16 1 "RMS(OBS, PRED)" CB 58 1.169 1
94 1 16 1 "RMS(OBS, PRED)" H 53 0.476 1
95 1 16 1 "RMS(OBS, PRED)" HA 57 0.263 1
96 1 16 1 "RMS(OBS, PRED)" N 53 2.453 1
97 1 17 1 "RMS(OBS, PRED)" C 57 1.115 1
98 1 17 1 "RMS(OBS, PRED)" CA 60 1.083 1
99 1 17 1 "RMS(OBS, PRED)" CB 58 1.136 1
100 1 17 1 "RMS(OBS, PRED)" H 53 0.502 1
101 1 17 1 "RMS(OBS, PRED)" HA 57 0.221 1
102 1 17 1 "RMS(OBS, PRED)" N 53 2.838 1
103 1 18 1 "RMS(OBS, PRED)" C 57 1.157 1
104 1 18 1 "RMS(OBS, PRED)" CA 60 1.164 1
105 1 18 1 "RMS(OBS, PRED)" CB 58 1.247 1
106 1 18 1 "RMS(OBS, PRED)" H 53 0.406 1
107 1 18 1 "RMS(OBS, PRED)" HA 57 0.280 1
108 1 18 1 "RMS(OBS, PRED)" N 53 2.313 1
109 1 19 1 "RMS(OBS, PRED)" C 57 1.080 1
110 1 19 1 "RMS(OBS, PRED)" CA 60 1.113 1
111 1 19 1 "RMS(OBS, PRED)" CB 58 1.030 1
112 1 19 1 "RMS(OBS, PRED)" H 53 0.487 1
113 1 19 1 "RMS(OBS, PRED)" HA 57 0.245 1
114 1 19 1 "RMS(OBS, PRED)" N 53 2.334 1
115 1 20 1 "RMS(OBS, PRED)" C 57 1.113 1
116 1 20 1 "RMS(OBS, PRED)" CA 60 1.443 1
117 1 20 1 "RMS(OBS, PRED)" CB 58 1.132 1
118 1 20 1 "RMS(OBS, PRED)" H 53 0.442 1
119 1 20 1 "RMS(OBS, PRED)" HA 57 0.231 1
120 1 20 1 "RMS(OBS, PRED)" N 53 2.054 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 8 8 ARG HA H 8 4.360 4.598 -0.238 2
1 8 . 1 1 A 8 8 ARG C C 8 176.260 175.400 0.860 2
1 9 . 1 1 A 8 8 ARG CA C 8 55.966 55.842 0.124 2
1 10 . 1 1 A 8 8 ARG CB C 8 30.838 31.437 -0.599 2
1 13 . 1 1 A 9 9 LYS H H 9 8.400 8.229 0.171 2
1 14 . 1 1 A 9 9 LYS C C 9 174.555 176.006 -1.451 2
1 15 . 1 1 A 9 9 LYS CA C 9 54.274 54.348 -0.074 2
1 16 . 1 1 A 9 9 LYS CB C 9 32.440 33.774 -1.334 2
1 17 . 1 1 A 9 9 LYS N N 9 124.470 121.257 3.213 2
1 18 . 1 1 A 10 10 PRO HA H 10 4.441 4.443 -0.002 2
1 25 . 1 1 A 10 10 PRO C C 10 176.789 176.756 0.033 2
1 26 . 1 1 A 10 10 PRO CA C 10 63.088 64.499 -1.411 2
1 27 . 1 1 A 10 10 PRO CB C 10 32.156 31.944 0.212 2
1 30 . 1 1 A 11 11 ARG H H 11 8.471 8.051 0.420 2
1 31 . 1 1 A 11 11 ARG HA H 11 4.370 4.527 -0.157 2
1 36 . 1 1 A 11 11 ARG C C 11 176.400 175.320 1.080 2
1 37 . 1 1 A 11 11 ARG CA C 11 56.439 55.803 0.636 2
1 38 . 1 1 A 11 11 ARG CB C 11 30.710 31.323 -0.613 2
1 40 . 1 1 A 11 11 ARG N N 11 121.881 117.957 3.924 2
1 41 . 1 1 A 12 12 THR HA H 12 4.270 4.588 -0.318 2
1 46 . 1 1 A 12 12 THR C C 12 173.737 175.688 -1.951 2
1 47 . 1 1 A 12 12 THR CA C 12 62.101 62.317 -0.216 2
1 48 . 1 1 A 12 12 THR CB C 12 69.896 70.832 -0.936 2
1 50 . 1 1 A 13 13 ILE H H 13 8.215 8.562 -0.347 2
1 51 . 1 1 A 13 13 ILE HA H 13 4.063 3.857 0.206 2
1 61 . 1 1 A 13 13 ILE C C 13 175.361 175.811 -0.450 2
1 62 . 1 1 A 13 13 ILE CA C 13 61.109 63.725 -2.616 2
1 63 . 1 1 A 13 13 ILE CB C 13 38.748 38.179 0.569 2
1 67 . 1 1 A 13 13 ILE N N 13 124.648 123.753 0.895 2
1 68 . 1 1 A 14 14 TYR H H 14 7.928 7.838 0.090 2
1 69 . 1 1 A 14 14 TYR HA H 14 4.923 5.271 -0.348 2
1 76 . 1 1 A 14 14 TYR C C 14 176.009 175.198 0.811 2
1 77 . 1 1 A 14 14 TYR CA C 14 56.425 56.822 -0.397 2
1 78 . 1 1 A 14 14 TYR CB C 14 39.984 42.552 -2.568 2
1 83 . 1 1 A 14 14 TYR N N 14 122.287 119.893 2.394 2
1 84 . 1 1 A 15 15 SER H H 15 9.368 8.501 0.868 2
1 85 . 1 1 A 15 15 SER HA H 15 4.639 4.624 0.015 2
1 88 . 1 1 A 15 15 SER C C 15 175.065 175.836 -0.771 2
1 89 . 1 1 A 15 15 SER CA C 15 56.918 58.731 -1.813 2
1 90 . 1 1 A 15 15 SER CB C 15 65.646 63.770 1.876 2
1 91 . 1 1 A 15 15 SER N N 15 119.482 119.595 -0.113 2
1 92 . 1 1 A 16 16 SER HA H 16 4.181 4.111 0.070 2
1 95 . 1 1 A 16 16 SER CA C 16 62.192 62.001 0.191 2
1 96 . 1 1 A 16 16 SER CB C 16 62.188 62.456 -0.268 2
1 97 . 1 1 A 17 17 PHE H H 17 7.815 8.084 -0.269 2
1 98 . 1 1 A 17 17 PHE HA H 17 4.313 4.107 0.206 2
1 106 . 1 1 A 17 17 PHE C C 17 177.979 177.918 0.061 2
1 107 . 1 1 A 17 17 PHE CA C 17 60.981 61.536 -0.555 2
1 108 . 1 1 A 17 17 PHE CB C 17 39.519 39.179 0.340 2
1 114 . 1 1 A 17 17 PHE N N 17 119.320 123.553 -4.233 2
1 115 . 1 1 A 18 18 GLN H H 18 7.816 8.235 -0.419 2
1 116 . 1 1 A 18 18 GLN HA H 18 3.720 3.706 0.014 2
1 123 . 1 1 A 18 18 GLN C C 18 177.456 178.804 -1.348 2
1 124 . 1 1 A 18 18 GLN CA C 18 58.902 58.684 0.218 2
1 125 . 1 1 A 18 18 GLN CB C 18 28.118 28.338 -0.220 2
1 127 . 1 1 A 18 18 GLN N N 18 119.339 118.295 1.044 2
1 129 . 1 1 A 19 19 LEU H H 19 8.583 8.354 0.229 2
1 130 . 1 1 A 19 19 LEU HA H 19 3.570 3.750 -0.180 2
1 140 . 1 1 A 19 19 LEU C C 19 178.761 178.662 0.099 2
1 141 . 1 1 A 19 19 LEU CA C 19 57.837 57.825 0.012 2
1 142 . 1 1 A 19 19 LEU CB C 19 41.883 42.039 -0.156 2
1 146 . 1 1 A 19 19 LEU N N 19 117.368 120.620 -3.252 2
1 147 . 1 1 A 20 20 ALA H H 20 7.918 8.603 -0.685 2
1 148 . 1 1 A 20 20 ALA HA H 20 4.019 3.978 0.041 2
1 152 . 1 1 A 20 20 ALA C C 20 180.256 179.637 0.619 2
1 153 . 1 1 A 20 20 ALA CA C 20 54.944 55.575 -0.631 2
1 154 . 1 1 A 20 20 ALA CB C 20 17.731 18.667 -0.936 2
1 155 . 1 1 A 20 20 ALA N N 20 120.010 120.852 -0.842 2
1 156 . 1 1 A 21 21 ALA H H 21 7.313 7.406 -0.093 2
1 157 . 1 1 A 21 21 ALA HA H 21 3.945 4.042 -0.097 2
1 161 . 1 1 A 21 21 ALA C C 21 181.088 179.447 1.641 2
1 162 . 1 1 A 21 21 ALA CA C 21 54.749 54.786 -0.037 2
1 163 . 1 1 A 21 21 ALA CB C 21 19.723 18.358 1.365 2
1 164 . 1 1 A 21 21 ALA N N 21 120.493 120.340 0.153 2
1 165 . 1 1 A 22 22 LEU H H 22 8.049 7.963 0.086 2
1 166 . 1 1 A 22 22 LEU HA H 22 3.507 3.635 -0.128 2
1 176 . 1 1 A 22 22 LEU C C 22 177.768 178.667 -0.899 2
1 177 . 1 1 A 22 22 LEU CA C 22 58.418 57.699 0.719 2
1 178 . 1 1 A 22 22 LEU CB C 22 38.280 40.900 -2.620 2
1 182 . 1 1 A 22 22 LEU N N 22 121.618 118.534 3.084 2
1 183 . 1 1 A 23 23 GLN H H 23 8.047 8.359 -0.312 2
1 184 . 1 1 A 23 23 GLN HA H 23 4.042 4.119 -0.077 2
1 191 . 1 1 A 23 23 GLN C C 23 178.945 178.820 0.125 2
1 192 . 1 1 A 23 23 GLN CA C 23 59.172 59.330 -0.158 2
1 193 . 1 1 A 23 23 GLN CB C 23 28.225 28.327 -0.102 2
1 195 . 1 1 A 23 23 GLN N N 23 117.012 117.010 0.002 2
1 197 . 1 1 A 24 24 ARG H H 24 7.956 7.863 0.093 2
1 198 . 1 1 A 24 24 ARG HA H 24 4.098 4.048 0.051 2
1 205 . 1 1 A 24 24 ARG C C 24 179.440 178.498 0.942 2
1 206 . 1 1 A 24 24 ARG CA C 24 59.443 59.268 0.175 2
1 207 . 1 1 A 24 24 ARG CB C 24 30.290 29.907 0.383 2
1 210 . 1 1 A 24 24 ARG N N 24 118.511 120.153 -1.642 2
1 211 . 1 1 A 25 25 ARG H H 25 7.768 7.872 -0.104 2
1 212 . 1 1 A 25 25 ARG HA H 25 4.380 4.132 0.248 2
1 219 . 1 1 A 25 25 ARG C C 25 177.933 178.569 -0.636 2
1 220 . 1 1 A 25 25 ARG CA C 25 56.993 58.863 -1.870 2
1 221 . 1 1 A 25 25 ARG CB C 25 28.118 30.051 -1.933 2
1 224 . 1 1 A 25 25 ARG N N 25 119.018 119.694 -0.676 2
1 225 . 1 1 A 26 26 PHE H H 26 8.739 8.371 0.368 2
1 226 . 1 1 A 26 26 PHE HA H 26 4.680 4.282 0.398 2
1 234 . 1 1 A 26 26 PHE C C 26 175.842 177.399 -1.557 2
1 235 . 1 1 A 26 26 PHE CA C 26 60.339 61.741 -1.402 2
1 236 . 1 1 A 26 26 PHE CB C 26 39.477 39.200 0.277 2
1 242 . 1 1 A 26 26 PHE N N 26 121.838 120.488 1.350 2
1 243 . 1 1 A 27 27 GLN H H 27 7.712 8.256 -0.544 2
1 244 . 1 1 A 27 27 GLN HA H 27 3.979 3.838 0.141 2
1 251 . 1 1 A 27 27 GLN C C 27 177.336 178.204 -0.868 2
1 252 . 1 1 A 27 27 GLN CA C 27 57.877 58.872 -0.995 2
1 253 . 1 1 A 27 27 GLN CB C 27 28.809 28.359 0.450 2
1 255 . 1 1 A 27 27 GLN N N 27 113.533 117.817 -4.284 2
1 257 . 1 1 A 28 28 LYS H H 28 7.469 7.513 -0.044 2
1 258 . 1 1 A 28 28 LYS HA H 28 4.316 4.125 0.191 2
1 267 . 1 1 A 28 28 LYS C C 28 177.011 176.295 0.716 2
1 268 . 1 1 A 28 28 LYS CA C 28 57.805 58.723 -0.918 2
1 269 . 1 1 A 28 28 LYS CB C 28 33.639 32.970 0.669 2
1 273 . 1 1 A 28 28 LYS N N 28 117.851 119.179 -1.328 2
1 274 . 1 1 A 29 29 THR H H 29 8.373 7.610 0.763 2
1 275 . 1 1 A 29 29 THR HA H 29 4.457 4.556 -0.099 2
1 280 . 1 1 A 29 29 THR C C 29 171.650 173.615 -1.965 2
1 281 . 1 1 A 29 29 THR CA C 29 59.598 60.273 -0.675 2
1 282 . 1 1 A 29 29 THR CB C 29 70.546 70.893 -0.347 2
1 284 . 1 1 A 29 29 THR N N 29 113.944 110.783 3.161 2
1 285 . 1 1 A 30 30 GLN H H 30 8.210 8.425 -0.215 2
1 286 . 1 1 A 30 30 GLN HA H 30 3.863 4.115 -0.252 2
1 293 . 1 1 A 30 30 GLN C C 30 174.111 175.625 -1.514 2
1 294 . 1 1 A 30 30 GLN CA C 30 56.868 57.684 -0.816 2
1 295 . 1 1 A 30 30 GLN CB C 30 27.841 29.537 -1.696 2
1 297 . 1 1 A 30 30 GLN N N 30 121.138 124.458 -3.320 2
1 299 . 1 1 A 31 31 TYR H H 31 7.532 7.457 0.074 2
1 300 . 1 1 A 31 31 TYR HA H 31 4.700 5.208 -0.508 2
1 307 . 1 1 A 31 31 TYR C C 31 174.485 174.898 -0.413 2
1 308 . 1 1 A 31 31 TYR CA C 31 56.954 56.954 -0.000 2
1 309 . 1 1 A 31 31 TYR CB C 31 41.374 40.901 0.473 2
1 314 . 1 1 A 31 31 TYR N N 31 114.987 117.007 -2.020 2
1 315 . 1 1 A 32 32 LEU H H 32 8.382 8.843 -0.461 2
1 316 . 1 1 A 32 32 LEU HA H 32 4.486 4.923 -0.437 2
1 326 . 1 1 A 32 32 LEU C C 32 176.526 176.740 -0.214 2
1 327 . 1 1 A 32 32 LEU CA C 32 53.216 53.422 -0.206 2
1 328 . 1 1 A 32 32 LEU CB C 32 44.134 44.516 -0.382 2
1 332 . 1 1 A 32 32 LEU N N 32 123.429 123.557 -0.128 2
1 333 . 1 1 A 33 33 ALA H H 33 8.805 8.770 0.035 2
1 334 . 1 1 A 33 33 ALA HA H 33 4.469 4.469 -0.000 2
1 338 . 1 1 A 33 33 ALA C C 33 178.230 177.654 0.576 2
1 339 . 1 1 A 33 33 ALA CA C 33 51.183 51.933 -0.750 2
1 340 . 1 1 A 33 33 ALA CB C 33 19.852 20.047 -0.195 2
1 341 . 1 1 A 33 33 ALA N N 33 126.131 125.864 0.267 2
1 342 . 1 1 A 34 34 LEU H H 34 8.898 8.723 0.175 2
1 343 . 1 1 A 34 34 LEU HA H 34 4.088 4.053 0.035 2
1 353 . 1 1 A 34 34 LEU C C 34 178.245 175.459 2.786 2
1 354 . 1 1 A 34 34 LEU CA C 34 60.712 59.554 1.158 2
1 355 . 1 1 A 34 34 LEU CB C 34 39.135 40.691 -1.556 2
1 359 . 1 1 A 34 34 LEU N N 34 122.061 120.563 1.498 2
1 360 . 1 1 A 35 35 PRO HA H 35 4.378 4.341 0.037 2
1 367 . 1 1 A 35 35 PRO C C 35 179.888 178.944 0.944 2
1 368 . 1 1 A 35 35 PRO CA C 35 65.894 65.411 0.483 2
1 369 . 1 1 A 35 35 PRO CB C 35 30.618 30.916 -0.298 2
1 372 . 1 1 A 36 36 GLU H H 36 6.984 8.429 -1.445 2
1 373 . 1 1 A 36 36 GLU HA H 36 4.192 4.048 0.144 2
1 378 . 1 1 A 36 36 GLU C C 36 179.230 179.184 0.046 2
1 379 . 1 1 A 36 36 GLU CA C 36 58.631 59.837 -1.206 2
1 380 . 1 1 A 36 36 GLU CB C 36 30.290 29.129 1.161 2
1 382 . 1 1 A 36 36 GLU N N 36 116.910 117.991 -1.081 2
1 383 . 1 1 A 37 37 ARG H H 37 8.489 8.199 0.290 2
1 384 . 1 1 A 37 37 ARG HA H 37 3.741 3.899 -0.158 2
1 391 . 1 1 A 37 37 ARG C C 37 177.835 178.082 -0.247 2
1 392 . 1 1 A 37 37 ARG CA C 37 60.076 58.996 1.080 2
1 393 . 1 1 A 37 37 ARG CB C 37 30.775 29.853 0.922 2
1 396 . 1 1 A 37 37 ARG N N 37 121.545 120.502 1.043 2
1 397 . 1 1 A 38 38 ALA H H 38 8.308 7.796 0.512 2
1 398 . 1 1 A 38 38 ALA HA H 38 3.941 4.041 -0.100 2
1 402 . 1 1 A 38 38 ALA C C 38 180.311 179.686 0.625 2
1 403 . 1 1 A 38 38 ALA CA C 38 55.446 55.034 0.412 2
1 404 . 1 1 A 38 38 ALA CB C 38 18.082 18.346 -0.264 2
1 405 . 1 1 A 38 38 ALA N N 38 120.571 121.223 -0.652 2
1 406 . 1 1 A 39 39 GLU H H 39 7.819 8.035 -0.216 2
1 407 . 1 1 A 39 39 GLU HA H 39 4.125 4.014 0.111 2
1 412 . 1 1 A 39 39 GLU C C 39 178.851 179.275 -0.424 2
1 413 . 1 1 A 39 39 GLU CA C 39 59.257 59.405 -0.148 2
1 414 . 1 1 A 39 39 GLU CB C 39 29.806 29.313 0.493 2
1 416 . 1 1 A 39 39 GLU N N 39 119.614 118.759 0.855 2
1 417 . 1 1 A 40 40 LEU H H 40 8.251 7.958 0.293 2
1 418 . 1 1 A 40 40 LEU HA H 40 4.149 4.038 0.111 2
1 428 . 1 1 A 40 40 LEU C C 40 178.939 179.229 -0.290 2
1 429 . 1 1 A 40 40 LEU CA C 40 57.625 57.752 -0.127 2
1 430 . 1 1 A 40 40 LEU CB C 40 42.239 41.050 1.189 2
1 434 . 1 1 A 40 40 LEU N N 40 121.912 120.101 1.811 2
1 435 . 1 1 A 41 41 ALA H H 41 8.449 7.758 0.691 2
1 436 . 1 1 A 41 41 ALA HA H 41 3.629 4.113 -0.484 2
1 440 . 1 1 A 41 41 ALA C C 41 179.199 179.544 -0.345 2
1 441 . 1 1 A 41 41 ALA CA C 41 56.202 54.718 1.484 2
1 442 . 1 1 A 41 41 ALA CB C 41 17.819 18.188 -0.369 2
1 443 . 1 1 A 41 41 ALA N N 41 120.020 121.940 -1.920 2
1 444 . 1 1 A 42 42 ALA H H 42 7.800 8.070 -0.270 2
1 445 . 1 1 A 42 42 ALA HA H 42 4.240 4.250 -0.010 2
1 449 . 1 1 A 42 42 ALA C C 42 181.146 179.394 1.752 2
1 450 . 1 1 A 42 42 ALA CA C 42 54.991 54.516 0.475 2
1 451 . 1 1 A 42 42 ALA CB C 42 17.983 18.835 -0.852 2
1 452 . 1 1 A 42 42 ALA N N 42 118.414 120.141 -1.727 2
1 453 . 1 1 A 43 43 SER H H 43 8.172 8.264 -0.092 2
1 454 . 1 1 A 43 43 SER HA H 43 4.314 4.324 -0.010 2
1 457 . 1 1 A 43 43 SER C C 43 175.817 176.664 -0.847 2
1 458 . 1 1 A 43 43 SER CA C 43 61.138 61.875 -0.737 2
1 459 . 1 1 A 43 43 SER CB C 43 63.341 63.329 0.012 2
1 460 . 1 1 A 43 43 SER N N 43 113.508 114.184 -0.676 2
1 461 . 1 1 A 44 44 LEU H H 44 7.701 7.836 -0.135 2
1 462 . 1 1 A 44 44 LEU HA H 44 4.662 4.296 0.366 2
1 472 . 1 1 A 44 44 LEU C C 44 177.588 177.020 0.568 2
1 473 . 1 1 A 44 44 LEU CA C 44 54.556 55.420 -0.864 2
1 474 . 1 1 A 44 44 LEU CB C 44 44.134 42.443 1.691 2
1 478 . 1 1 A 44 44 LEU N N 44 117.384 118.678 -1.294 2
1 479 . 1 1 A 45 45 GLY H H 45 7.971 8.066 -0.095 2
1 480 . 1 1 A 45 45 GLY HA2 H 45 4.130 3.953 0.177 2
1 481 . 1 1 A 45 45 GLY HA3 H 45 3.991 3.971 0.020 2
1 482 . 1 1 A 45 45 GLY C C 45 174.538 174.314 0.224 2
1 483 . 1 1 A 45 45 GLY CA C 45 46.623 45.867 0.756 2
1 484 . 1 1 A 45 45 GLY N N 45 110.156 107.027 3.129 2
1 485 . 1 1 A 46 46 LEU H H 46 8.012 7.950 0.062 2
1 486 . 1 1 A 46 46 LEU HA H 46 4.914 4.799 0.115 2
1 496 . 1 1 A 46 46 LEU C C 46 176.613 175.551 1.062 2
1 497 . 1 1 A 46 46 LEU CA C 46 52.652 53.443 -0.791 2
1 498 . 1 1 A 46 46 LEU CB C 46 46.882 42.992 3.890 2
1 502 . 1 1 A 46 46 LEU N N 46 119.755 121.440 -1.685 2
1 503 . 1 1 A 47 47 THR H H 47 8.846 8.365 0.481 2
1 504 . 1 1 A 47 47 THR HA H 47 4.681 4.834 -0.153 2
1 509 . 1 1 A 47 47 THR C C 47 176.869 175.470 1.399 2
1 510 . 1 1 A 47 47 THR CA C 47 60.326 59.558 0.768 2
1 511 . 1 1 A 47 47 THR CB C 47 70.720 70.879 -0.159 2
1 513 . 1 1 A 47 47 THR N N 47 109.908 114.044 -4.136 2
1 514 . 1 1 A 48 48 GLN H H 48 9.324 9.068 0.256 2
1 515 . 1 1 A 48 48 GLN HA H 48 3.708 3.978 -0.270 2
1 522 . 1 1 A 48 48 GLN C C 48 178.548 177.863 0.685 2
1 523 . 1 1 A 48 48 GLN CA C 48 60.839 59.327 1.512 2
1 524 . 1 1 A 48 48 GLN CB C 48 27.998 28.218 -0.220 2
1 526 . 1 1 A 48 48 GLN N N 48 120.589 127.143 -6.554 2
1 528 . 1 1 A 49 49 THR H H 49 8.172 7.688 0.484 2
1 529 . 1 1 A 49 49 THR HA H 49 3.908 4.121 -0.213 2
1 534 . 1 1 A 49 49 THR CA C 49 66.920 65.806 1.114 2
1 535 . 1 1 A 49 49 THR CB C 49 68.671 68.614 0.057 2
1 537 . 1 1 A 49 49 THR N N 49 115.925 117.177 -1.252 2
1 538 . 1 1 A 50 50 GLN H H 50 8.005 8.240 -0.235 2
1 539 . 1 1 A 50 50 GLN HA H 50 4.049 4.405 -0.356 2
1 546 . 1 1 A 50 50 GLN C C 50 180.191 178.191 2.000 2
1 547 . 1 1 A 50 50 GLN CA C 50 59.633 58.053 1.580 2
1 548 . 1 1 A 50 50 GLN CB C 50 28.965 29.597 -0.632 2
1 550 . 1 1 A 50 50 GLN N N 50 120.680 120.208 0.472 2
1 552 . 1 1 A 51 51 VAL H H 51 7.759 8.078 -0.319 2
1 553 . 1 1 A 51 51 VAL HA H 51 3.754 3.803 -0.048 2
1 561 . 1 1 A 51 51 VAL C C 51 176.534 178.377 -1.843 2
1 562 . 1 1 A 51 51 VAL CA C 51 67.618 66.645 0.973 2
1 563 . 1 1 A 51 51 VAL CB C 51 32.052 31.489 0.563 2
1 566 . 1 1 A 51 51 VAL N N 51 119.814 120.543 -0.729 2
1 567 . 1 1 A 52 52 LYS H H 52 8.504 7.851 0.653 2
1 568 . 1 1 A 52 52 LYS HA H 52 4.301 4.100 0.201 2
1 577 . 1 1 A 52 52 LYS C C 52 179.918 179.718 0.200 2
1 578 . 1 1 A 52 52 LYS CA C 52 60.046 59.471 0.575 2
1 579 . 1 1 A 52 52 LYS CB C 52 33.392 32.418 0.974 2
1 583 . 1 1 A 52 52 LYS N N 52 121.422 119.404 2.018 2
1 584 . 1 1 A 53 53 ILE H H 53 8.775 8.059 0.716 2
1 585 . 1 1 A 53 53 ILE HA H 53 3.866 3.772 0.094 2
1 595 . 1 1 A 53 53 ILE C C 53 177.447 178.512 -1.065 2
1 596 . 1 1 A 53 53 ILE CA C 53 64.285 65.078 -0.793 2
1 597 . 1 1 A 53 53 ILE CB C 53 38.066 37.523 0.543 2
1 601 . 1 1 A 53 53 ILE N N 53 119.411 119.895 -0.485 2
1 602 . 1 1 A 54 54 TRP H H 54 8.052 8.140 -0.088 2
1 603 . 1 1 A 54 54 TRP HA H 54 4.005 4.165 -0.160 2
1 612 . 1 1 A 54 54 TRP C C 54 179.712 178.203 1.509 2
1 613 . 1 1 A 54 54 TRP CA C 54 63.406 61.331 2.075 2
1 614 . 1 1 A 54 54 TRP CB C 54 28.935 29.445 -0.510 2
1 620 . 1 1 A 54 54 TRP N N 54 122.233 122.247 -0.014 2
1 622 . 1 1 A 55 55 PHE H H 55 8.720 8.218 0.502 2
1 623 . 1 1 A 55 55 PHE HA H 55 3.786 4.339 -0.553 2
1 631 . 1 1 A 55 55 PHE C C 55 177.753 178.126 -0.374 2
1 632 . 1 1 A 55 55 PHE CA C 55 63.194 61.894 1.300 2
1 633 . 1 1 A 55 55 PHE CB C 55 39.739 38.741 0.998 2
1 639 . 1 1 A 55 55 PHE N N 55 118.671 117.772 0.899 2
1 640 . 1 1 A 56 56 GLN H H 56 8.294 8.516 -0.222 2
1 641 . 1 1 A 56 56 GLN HA H 56 3.952 3.994 -0.042 2
1 648 . 1 1 A 56 56 GLN C C 56 179.029 178.091 0.938 2
1 649 . 1 1 A 56 56 GLN CA C 56 59.414 58.747 0.667 2
1 650 . 1 1 A 56 56 GLN CB C 56 28.724 28.651 0.073 2
1 652 . 1 1 A 56 56 GLN N N 56 118.357 120.181 -1.824 2
1 654 . 1 1 A 57 57 ASN H H 57 8.580 8.381 0.199 2
1 655 . 1 1 A 57 57 ASN HA H 57 4.315 4.347 -0.032 2
1 660 . 1 1 A 57 57 ASN C C 57 177.717 177.830 -0.113 2
1 661 . 1 1 A 57 57 ASN CA C 57 55.541 56.074 -0.533 2
1 662 . 1 1 A 57 57 ASN CB C 57 37.796 38.017 -0.221 2
1 663 . 1 1 A 57 57 ASN N N 57 118.858 117.665 1.194 2
1 665 . 1 1 A 58 58 LYS H H 58 7.761 7.419 0.342 2
1 666 . 1 1 A 58 58 LYS HA H 58 3.416 3.579 -0.163 2
1 675 . 1 1 A 58 58 LYS C C 58 178.937 178.978 -0.041 2
1 676 . 1 1 A 58 58 LYS CA C 58 57.292 59.356 -2.064 2
1 677 . 1 1 A 58 58 LYS CB C 58 30.746 31.519 -0.773 2
1 681 . 1 1 A 58 58 LYS N N 58 122.418 120.282 2.136 2
1 682 . 1 1 A 59 59 ARG H H 59 7.965 8.024 -0.059 2
1 683 . 1 1 A 59 59 ARG HA H 59 4.078 4.174 -0.096 2
1 690 . 1 1 A 59 59 ARG C C 59 178.804 178.697 0.107 2
1 691 . 1 1 A 59 59 ARG CA C 59 60.056 59.677 0.379 2
1 692 . 1 1 A 59 59 ARG CB C 59 31.573 30.030 1.543 2
1 695 . 1 1 A 59 59 ARG N N 59 116.992 119.322 -2.330 2
1 696 . 1 1 A 60 60 SER H H 60 7.733 7.849 -0.116 2
1 697 . 1 1 A 60 60 SER HA H 60 4.308 4.209 0.099 2
1 700 . 1 1 A 60 60 SER C C 60 175.262 176.309 -1.047 2
1 701 . 1 1 A 60 60 SER CA C 60 60.550 61.120 -0.570 2
1 702 . 1 1 A 60 60 SER CB C 60 63.304 62.987 0.317 2
1 703 . 1 1 A 60 60 SER N N 60 113.717 115.003 -1.286 2
1 704 . 1 1 A 61 61 LYS H H 61 7.622 7.777 -0.155 2
1 705 . 1 1 A 61 61 LYS HA H 61 4.218 4.205 0.013 2
1 714 . 1 1 A 61 61 LYS C C 61 177.402 176.967 0.435 2
1 715 . 1 1 A 61 61 LYS CA C 61 56.989 57.673 -0.684 2
1 716 . 1 1 A 61 61 LYS CB C 61 32.486 32.176 0.310 2
1 720 . 1 1 A 61 61 LYS N N 61 121.107 119.691 1.416 2
1 721 . 1 1 A 62 62 ILE H H 62 7.632 7.487 0.145 2
1 722 . 1 1 A 62 62 ILE HA H 62 4.074 4.048 0.026 2
1 732 . 1 1 A 62 62 ILE C C 62 176.614 176.375 0.239 2
1 733 . 1 1 A 62 62 ILE CA C 62 61.960 62.053 -0.093 2
1 734 . 1 1 A 62 62 ILE CB C 62 38.231 38.121 0.110 2
1 738 . 1 1 A 62 62 ILE N N 62 119.268 120.683 -1.415 2
1 739 . 1 1 A 63 63 LYS H H 63 8.100 8.325 -0.225 2
1 740 . 1 1 A 63 63 LYS HA H 63 4.304 4.232 0.072 2
1 747 . 1 1 A 63 63 LYS C C 63 176.623 176.297 0.326 2
1 748 . 1 1 A 63 63 LYS CA C 63 56.672 57.153 -0.481 2
1 749 . 1 1 A 63 63 LYS CB C 63 32.898 32.492 0.406 2
1 753 . 1 1 A 63 63 LYS N N 63 124.673 126.416 -1.743 2
1 754 . 1 1 A 64 64 LYS H H 64 8.272 8.210 0.062 2
1 755 . 1 1 A 64 64 LYS C C 64 176.619 176.080 0.539 2
1 756 . 1 1 A 64 64 LYS CA C 64 56.531 55.816 0.715 2
1 757 . 1 1 A 64 64 LYS CB C 64 33.017 33.407 -0.390 2
1 758 . 1 1 A 64 64 LYS N N 64 122.722 123.346 -0.624 2
1 759 . 1 1 A 65 65 SER HA H 65 4.533 4.738 -0.205 2
1 762 . 1 1 A 65 65 SER C C 65 174.501 174.435 0.066 2
1 763 . 1 1 A 65 65 SER CA C 65 58.364 58.271 0.093 2
1 764 . 1 1 A 65 65 SER CB C 65 64.210 63.826 0.384 2
1 765 . 1 1 A 66 66 GLY H H 66 8.264 8.448 -0.184 2
1 766 . 1 1 A 66 66 GLY C C 66 171.884 173.531 -1.647 2
1 767 . 1 1 A 66 66 GLY CA C 66 44.719 45.342 -0.623 2
1 768 . 1 1 A 66 66 GLY N N 66 110.727 111.864 -1.137 2
1 772 . 1 1 A 67 67 PRO CA C 67 63.385 63.624 -0.239 2
1 773 . 1 1 A 67 67 PRO CB C 67 32.419 31.936 0.483 2
stop_
save_