data_15874_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 15874
_Entry.PDB_ID 2K6N
_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 1
_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 6 6 CYS HA H 15 4.540 4.799 -0.259 1
1 4 . 1 1 1 A 6 6 CYS CB C 15 28.556 28.033 0.523 1
1 5 . 1 1 1 A 7 7 LYS HA H 16 4.376 4.708 -0.332 1
1 8 . 1 1 1 A 7 7 LYS CA C 16 37.775 55.941 -18.166 1
1 9 . 1 1 1 A 7 7 LYS CB C 16 33.150 33.095 0.055 1
1 10 . 1 1 1 A 8 8 THR H H 17 8.305 8.921 -0.616 1
1 11 . 1 1 1 A 8 8 THR HA H 17 4.320 5.174 -0.854 1
1 16 . 1 1 1 A 8 8 THR CA C 17 44.017 60.278 -16.261 1
1 17 . 1 1 1 A 8 8 THR CB C 17 31.886 71.323 -39.437 1
1 19 . 1 1 1 A 8 8 THR N N 17 115.400 119.395 -3.995 1
1 20 . 1 1 1 A 9 9 ILE H H 18 7.450 8.944 -1.494 1
1 21 . 1 1 1 A 9 9 ILE HA H 18 5.077 4.720 0.357 1
1 31 . 1 1 1 A 9 9 ILE CA C 18 38.964 60.510 -21.546 1
1 32 . 1 1 1 A 9 9 ILE CB C 18 40.553 38.305 2.248 1
1 36 . 1 1 1 A 9 9 ILE N N 18 122.802 128.661 -5.859 1
1 37 . 1 1 1 A 10 10 TYR H H 19 9.151 8.190 0.961 1
1 38 . 1 1 1 A 10 10 TYR HA H 19 4.927 4.792 0.135 1
1 43 . 1 1 1 A 10 10 TYR CB C 19 41.335 38.669 2.666 1
1 44 . 1 1 1 A 10 10 TYR N N 19 124.420 126.725 -2.305 1
1 45 . 1 1 1 A 11 11 PRO HA H 20 4.496 4.525 -0.029 1
1 52 . 1 1 1 A 11 11 PRO CA C 20 43.576 63.088 -19.512 1
1 53 . 1 1 1 A 11 11 PRO CB C 20 32.801 31.788 1.013 1
1 55 . 1 1 1 A 12 12 LEU H H 21 7.790 8.572 -0.782 1
1 56 . 1 1 1 A 12 12 LEU HA H 21 3.896 4.028 -0.132 1
1 66 . 1 1 1 A 12 12 LEU CA C 21 39.620 57.973 -18.353 1
1 67 . 1 1 1 A 12 12 LEU CB C 21 42.245 41.697 0.548 1
1 71 . 1 1 1 A 12 12 LEU N N 21 123.727 124.923 -1.196 1
1 72 . 1 1 1 A 13 13 ALA H H 22 8.995 8.215 0.780 1
1 73 . 1 1 1 A 13 13 ALA HA H 22 3.943 4.095 -0.152 1
1 77 . 1 1 1 A 13 13 ALA CA C 22 36.717 55.648 -18.931 1
1 78 . 1 1 1 A 13 13 ALA CB C 22 37.456 18.390 19.066 1
1 79 . 1 1 1 A 13 13 ALA N N 22 116.790 121.818 -5.028 1
1 80 . 1 1 1 A 14 14 ASP H H 23 7.393 8.248 -0.855 1
1 81 . 1 1 1 A 14 14 ASP HA H 23 4.387 4.366 0.021 1
1 84 . 1 1 1 A 14 14 ASP CB C 23 40.902 40.594 0.308 1
1 85 . 1 1 1 A 14 14 ASP N N 23 115.403 118.300 -2.897 1
1 86 . 1 1 1 A 15 15 LEU H H 24 7.452 7.459 -0.007 1
1 87 . 1 1 1 A 15 15 LEU HA H 24 4.281 4.516 -0.235 1
1 97 . 1 1 1 A 15 15 LEU CA C 24 35.761 54.984 -19.223 1
1 98 . 1 1 1 A 15 15 LEU CB C 24 41.179 43.207 -2.028 1
1 101 . 1 1 1 A 15 15 LEU N N 24 116.328 113.058 3.270 1
1 102 . 1 1 1 A 16 16 LEU H H 25 7.396 8.671 -1.275 1
1 103 . 1 1 1 A 16 16 LEU HA H 25 4.350 4.196 0.154 1
1 112 . 1 1 1 A 16 16 LEU CA C 25 36.365 57.165 -20.800 1
1 113 . 1 1 1 A 16 16 LEU CB C 25 42.493 42.224 0.269 1
1 116 . 1 1 1 A 16 16 LEU N N 25 116.790 121.367 -4.577 1
1 117 . 1 1 1 A 17 17 ALA H H 26 6.894 6.972 -0.078 1
1 118 . 1 1 1 A 17 17 ALA HA H 26 4.349 4.567 -0.218 1
1 122 . 1 1 1 A 17 17 ALA CB C 26 39.296 19.372 19.924 1
1 123 . 1 1 1 A 17 17 ALA N N 26 122.802 120.010 2.792 1
1 124 . 1 1 1 A 18 18 ARG H H 27 8.019 7.751 0.268 1
1 125 . 1 1 1 A 18 18 ARG HA H 27 4.429 4.821 -0.392 1
1 132 . 1 1 1 A 18 18 ARG CA C 27 32.436 53.090 -20.654 1
1 133 . 1 1 1 A 18 18 ARG CB C 27 31.405 34.030 -2.625 1
1 136 . 1 1 1 A 18 18 ARG N N 27 116.328 118.124 -1.796 1
1 137 . 1 1 1 A 19 19 PRO HA H 28 4.483 4.493 -0.010 1
1 144 . 1 1 1 A 19 19 PRO CA C 28 43.719 62.382 -18.663 1
1 145 . 1 1 1 A 19 19 PRO CB C 28 35.007 29.644 5.363 1
1 148 . 1 1 1 A 20 20 LEU H H 29 8.634 8.477 0.157 1
1 149 . 1 1 1 A 20 20 LEU HA H 29 4.286 4.609 -0.323 1
1 159 . 1 1 1 A 20 20 LEU CA C 29 34.887 53.143 -18.256 1
1 160 . 1 1 1 A 20 20 LEU CB C 29 42.067 41.768 0.299 1
1 163 . 1 1 1 A 20 20 LEU N N 29 123.033 120.107 2.926 1
1 164 . 1 1 1 A 21 21 PRO HA H 30 4.273 4.575 -0.302 1
1 171 . 1 1 1 A 21 21 PRO CA C 30 43.649 62.350 -18.701 1
1 172 . 1 1 1 A 21 21 PRO CB C 30 31.638 33.292 -1.654 1
1 175 . 1 1 1 A 22 22 GLU H H 31 8.522 8.793 -0.271 1
1 176 . 1 1 1 A 22 22 GLU HA H 31 3.988 4.399 -0.411 1
1 180 . 1 1 1 A 22 22 GLU CA C 31 39.044 58.242 -19.198 1
1 181 . 1 1 1 A 22 22 GLU CB C 31 29.490 30.809 -1.319 1
1 183 . 1 1 1 A 22 22 GLU N N 31 123.264 119.847 3.417 1
1 184 . 1 1 1 A 23 23 GLY H H 32 8.783 8.568 0.215 1
1 185 . 1 1 1 A 23 23 GLY HA2 H 32 4.177 3.992 0.185 1
1 186 . 1 1 1 A 23 23 GLY HA3 H 32 3.697 4.099 -0.402 1
1 187 . 1 1 1 A 23 23 GLY CA C 32 45.506 47.075 -1.569 1
1 188 . 1 1 1 A 23 23 GLY N N 32 111.472 108.206 3.266 1
1 189 . 1 1 1 A 24 24 VAL H H 33 6.850 7.696 -0.846 1
1 190 . 1 1 1 A 24 24 VAL HA H 33 3.805 3.763 0.042 1
1 198 . 1 1 1 A 24 24 VAL CA C 33 42.632 62.523 -19.891 1
1 199 . 1 1 1 A 24 24 VAL CB C 33 32.321 31.212 1.109 1
1 202 . 1 1 1 A 24 24 VAL N N 33 117.021 120.153 -3.132 1
1 203 . 1 1 1 A 25 25 ASP H H 34 8.276 9.131 -0.855 1
1 206 . 1 1 1 A 25 25 ASP CB C 34 41.766 40.474 1.292 1
1 207 . 1 1 1 A 25 25 ASP N N 34 126.270 128.448 -2.178 1
1 208 . 1 1 1 A 26 26 PRO HA H 35 4.082 4.348 -0.266 1
1 215 . 1 1 1 A 26 26 PRO CA C 35 44.876 64.741 -19.865 1
1 216 . 1 1 1 A 26 26 PRO CB C 35 32.282 32.122 0.160 1
1 219 . 1 1 1 A 27 27 LEU H H 36 8.583 8.175 0.408 1
1 220 . 1 1 1 A 27 27 LEU HA H 36 4.361 3.948 0.413 1
1 230 . 1 1 1 A 27 27 LEU CA C 36 36.955 56.196 -19.241 1
1 231 . 1 1 1 A 27 27 LEU CB C 36 41.466 41.379 0.087 1
1 235 . 1 1 1 A 27 27 LEU N N 36 118.640 115.641 2.999 1
1 236 . 1 1 1 A 28 28 LYS H H 37 7.838 7.150 0.688 1
1 237 . 1 1 1 A 28 28 LYS HA H 37 5.037 3.285 1.752 1
1 243 . 1 1 1 A 28 28 LYS CA C 37 35.415 54.594 -19.179 1
1 244 . 1 1 1 A 28 28 LYS CB C 37 33.967 34.814 -0.847 1
1 247 . 1 1 1 A 28 28 LYS N N 37 120.258 115.617 4.641 1
1 248 . 1 1 1 A 29 29 LEU H H 38 8.203 8.563 -0.360 1
1 249 . 1 1 1 A 29 29 LEU HA H 38 4.266 2.991 1.275 1
1 259 . 1 1 1 A 29 29 LEU CA C 38 39.317 55.187 -15.870 1
1 262 . 1 1 1 A 29 29 LEU N N 38 117.021 122.102 -5.081 1
1 263 . 1 1 1 A 30 30 GLU H H 39 10.041 9.154 0.887 1
1 264 . 1 1 1 A 30 30 GLU HA H 39 4.086 3.654 0.432 1
1 269 . 1 1 1 A 30 30 GLU CA C 39 39.629 58.144 -18.515 1
1 270 . 1 1 1 A 30 30 GLU CB C 39 45.835 28.344 17.491 1
1 272 . 1 1 1 A 30 30 GLU N N 39 114.478 117.746 -3.268 1
1 273 . 1 1 1 A 31 31 ILE H H 40 7.920 7.487 0.433 1
1 274 . 1 1 1 A 31 31 ILE HA H 40 4.266 4.396 -0.130 1
1 284 . 1 1 1 A 31 31 ILE CA C 40 44.411 61.275 -16.864 1
1 285 . 1 1 1 A 31 31 ILE CB C 40 37.472 37.897 -0.425 1
1 289 . 1 1 1 A 31 31 ILE N N 40 116.790 116.100 0.690 1
1 290 . 1 1 1 A 32 32 TYR H H 41 7.426 7.307 0.119 1
1 291 . 1 1 1 A 32 32 TYR HA H 41 4.928 4.735 0.193 1
1 296 . 1 1 1 A 32 32 TYR CB C 41 39.324 39.665 -0.341 1
1 297 . 1 1 1 A 32 32 TYR N N 41 119.565 117.950 1.615 1
1 298 . 1 1 1 A 33 33 LEU H H 42 6.749 7.405 -0.656 1
1 299 . 1 1 1 A 33 33 LEU HA H 42 5.266 5.077 0.189 1
1 309 . 1 1 1 A 33 33 LEU CA C 42 33.953 52.942 -18.989 1
1 310 . 1 1 1 A 33 33 LEU CB C 42 45.122 45.043 0.079 1
1 314 . 1 1 1 A 33 33 LEU N N 42 114.709 117.858 -3.149 1
1 315 . 1 1 1 A 34 34 THR H H 43 9.549 8.705 0.844 1
1 316 . 1 1 1 A 34 34 THR HA H 43 4.319 4.745 -0.426 1
1 322 . 1 1 1 A 34 34 THR CA C 43 42.615 61.731 -19.116 1
1 323 . 1 1 1 A 34 34 THR CB C 43 34.267 69.941 -35.674 1
1 325 . 1 1 1 A 34 34 THR N N 43 115.172 117.342 -2.170 1
1 326 . 1 1 1 A 35 35 ASP H H 44 9.173 9.327 -0.154 1
1 327 . 1 1 1 A 35 35 ASP HA H 44 4.361 4.425 -0.064 1
1 330 . 1 1 1 A 35 35 ASP CA C 44 39.549 57.142 -17.593 1
1 331 . 1 1 1 A 35 35 ASP CB C 44 39.585 40.191 -0.606 1
1 332 . 1 1 1 A 35 35 ASP N N 44 122.339 126.030 -3.691 1
1 333 . 1 1 1 A 36 36 GLU H H 45 8.781 8.460 0.321 1
1 334 . 1 1 1 A 36 36 GLU HA H 45 4.119 4.155 -0.036 1
1 339 . 1 1 1 A 36 36 GLU CA C 45 41.388 59.085 -17.697 1
1 340 . 1 1 1 A 36 36 GLU CB C 45 29.301 29.349 -0.048 1
1 342 . 1 1 1 A 36 36 GLU N N 45 118.640 119.769 -1.129 1
1 343 . 1 1 1 A 37 37 ASP H H 46 7.864 8.204 -0.340 1
1 344 . 1 1 1 A 37 37 ASP HA H 46 4.726 4.477 0.249 1
1 347 . 1 1 1 A 37 37 ASP CA C 46 38.055 57.285 -19.230 1
1 348 . 1 1 1 A 37 37 ASP CB C 46 41.567 40.922 0.645 1
1 349 . 1 1 1 A 37 37 ASP N N 46 121.646 120.569 1.077 1
1 350 . 1 1 1 A 38 38 PHE H H 47 9.196 9.722 -0.526 1
1 351 . 1 1 1 A 38 38 PHE HA H 47 3.753 4.055 -0.302 1
1 357 . 1 1 1 A 38 38 PHE CA C 47 43.221 61.437 -18.216 1
1 358 . 1 1 1 A 38 38 PHE CB C 47 40.280 38.976 1.304 1
1 359 . 1 1 1 A 38 38 PHE N N 47 122.802 119.761 3.041 1
1 360 . 1 1 1 A 39 39 GLU H H 48 8.496 9.295 -0.799 1
1 361 . 1 1 1 A 39 39 GLU HA H 48 4.413 4.076 0.337 1
1 365 . 1 1 1 A 39 39 GLU CA C 48 40.140 59.404 -19.264 1
1 366 . 1 1 1 A 39 39 GLU CB C 48 29.498 29.253 0.245 1
1 368 . 1 1 1 A 39 39 GLU N N 48 118.177 118.182 -0.005 1
1 369 . 1 1 1 A 40 40 PHE H H 49 7.898 8.152 -0.254 1
1 370 . 1 1 1 A 40 40 PHE HA H 49 4.320 4.231 0.089 1
1 376 . 1 1 1 A 40 40 PHE CA C 49 41.713 60.365 -18.652 1
1 377 . 1 1 1 A 40 40 PHE CB C 49 39.847 39.815 0.032 1
1 378 . 1 1 1 A 40 40 PHE N N 49 119.565 121.840 -2.275 1
1 379 . 1 1 1 A 41 41 ALA H H 50 8.637 7.978 0.659 1
1 380 . 1 1 1 A 41 41 ALA HA H 50 3.947 4.485 -0.538 1
1 384 . 1 1 1 A 41 41 ALA CA C 50 35.451 53.630 -18.179 1
1 385 . 1 1 1 A 41 41 ALA CB C 50 39.091 19.896 19.195 1
1 386 . 1 1 1 A 41 41 ALA N N 50 119.565 121.206 -1.641 1
1 387 . 1 1 1 A 42 42 LEU H H 51 8.275 8.116 0.159 1
1 388 . 1 1 1 A 42 42 LEU HA H 51 4.142 4.483 -0.341 1
1 397 . 1 1 1 A 42 42 LEU CA C 51 35.946 54.058 -18.112 1
1 398 . 1 1 1 A 42 42 LEU CB C 51 41.238 43.521 -2.283 1
1 402 . 1 1 1 A 42 42 LEU N N 51 113.553 115.214 -1.661 1
1 403 . 1 1 1 A 43 43 ASP H H 52 7.841 8.268 -0.427 1
1 404 . 1 1 1 A 43 43 ASP HA H 52 4.483 4.644 -0.161 1
1 407 . 1 1 1 A 43 43 ASP CA C 52 36.572 55.407 -18.835 1
1 408 . 1 1 1 A 43 43 ASP CB C 52 39.869 39.580 0.289 1
1 409 . 1 1 1 A 43 43 ASP N N 52 115.865 117.273 -1.408 1
1 410 . 1 1 1 A 44 44 MET H H 53 7.424 7.105 0.319 1
1 411 . 1 1 1 A 44 44 MET HA H 53 4.753 4.788 -0.035 1
1 419 . 1 1 1 A 44 44 MET CA C 53 36.030 53.197 -17.167 1
1 420 . 1 1 1 A 44 44 MET CB C 53 34.947 34.951 -0.004 1
1 422 . 1 1 1 A 44 44 MET N N 53 111.703 117.584 -5.881 1
1 423 . 1 1 1 A 45 45 THR H H 54 8.372 7.919 0.453 1
1 424 . 1 1 1 A 45 45 THR HA H 54 4.526 4.415 0.111 1
1 429 . 1 1 1 A 45 45 THR CA C 54 41.951 58.782 -16.831 1
1 430 . 1 1 1 A 45 45 THR CB C 54 33.933 71.823 -37.890 1
1 432 . 1 1 1 A 45 45 THR N N 54 107.079 110.273 -3.194 1
1 433 . 1 1 1 A 46 46 ARG H H 55 8.999 8.467 0.532 1
1 434 . 1 1 1 A 46 46 ARG HA H 55 3.469 3.747 -0.278 1
1 441 . 1 1 1 A 46 46 ARG CA C 55 41.154 58.949 -17.795 1
1 442 . 1 1 1 A 46 46 ARG CB C 55 29.806 30.030 -0.224 1
1 445 . 1 1 1 A 46 46 ARG N N 55 122.570 121.969 0.601 1
1 447 . 1 1 1 A 47 47 ASP H H 56 8.199 8.021 0.178 1
1 448 . 1 1 1 A 47 47 ASP HA H 56 4.334 4.464 -0.130 1
1 451 . 1 1 1 A 47 47 ASP CB C 56 40.724 41.120 -0.396 1
1 452 . 1 1 1 A 47 47 ASP N N 56 116.559 117.454 -0.895 1
1 453 . 1 1 1 A 48 48 GLU H H 57 7.547 7.830 -0.283 1
1 454 . 1 1 1 A 48 48 GLU HA H 57 3.920 4.188 -0.268 1
1 458 . 1 1 1 A 48 48 GLU CA C 57 40.418 58.367 -17.949 1
1 459 . 1 1 1 A 48 48 GLU CB C 57 29.932 30.331 -0.399 1
1 461 . 1 1 1 A 48 48 GLU N N 57 120.721 119.494 1.227 1
1 462 . 1 1 1 A 49 49 TYR H H 58 8.535 8.328 0.207 1
1 463 . 1 1 1 A 49 49 TYR HA H 58 4.181 4.127 0.054 1
1 468 . 1 1 1 A 49 49 TYR CA C 58 42.353 61.037 -18.684 1
1 469 . 1 1 1 A 49 49 TYR CB C 58 39.530 37.474 2.056 1
1 470 . 1 1 1 A 49 49 TYR N N 58 122.570 119.913 2.657 1
1 471 . 1 1 1 A 50 50 ASN H H 59 8.869 8.303 0.566 1
1 472 . 1 1 1 A 50 50 ASN HA H 59 4.293 4.516 -0.223 1
1 476 . 1 1 1 A 50 50 ASN CA C 59 35.728 56.190 -20.462 1
1 477 . 1 1 1 A 50 50 ASN CB C 59 38.117 38.355 -0.238 1
1 478 . 1 1 1 A 50 50 ASN N N 59 117.484 116.881 0.603 1
1 480 . 1 1 1 A 51 51 ALA H H 60 7.146 7.404 -0.258 1
1 481 . 1 1 1 A 51 51 ALA HA H 60 4.342 4.398 -0.056 1
1 485 . 1 1 1 A 51 51 ALA CA C 60 33.070 52.209 -19.139 1
1 486 . 1 1 1 A 51 51 ALA CB C 60 38.063 20.304 17.759 1
1 487 . 1 1 1 A 51 51 ALA N N 60 120.027 119.632 0.395 1
1 488 . 1 1 1 A 52 52 LEU H H 61 7.396 7.441 -0.045 1
1 489 . 1 1 1 A 52 52 LEU HA H 61 4.338 4.327 0.011 1
1 499 . 1 1 1 A 52 52 LEU CA C 61 33.941 53.541 -19.600 1
1 500 . 1 1 1 A 52 52 LEU CB C 61 42.540 40.842 1.698 1
1 504 . 1 1 1 A 52 52 LEU N N 61 121.183 121.699 -0.516 1
1 505 . 1 1 1 A 53 53 PRO HA H 62 4.381 4.431 -0.050 1
1 512 . 1 1 1 A 53 53 PRO CA C 62 43.181 62.680 -19.499 1
1 513 . 1 1 1 A 53 53 PRO CB C 62 32.503 32.527 -0.024 1
1 516 . 1 1 1 A 54 54 ALA H H 63 8.847 8.469 0.378 1
1 517 . 1 1 1 A 54 54 ALA HA H 63 3.953 3.978 -0.025 1
1 521 . 1 1 1 A 54 54 ALA CA C 63 36.779 54.026 -17.247 1
1 522 . 1 1 1 A 54 54 ALA CB C 63 36.769 18.825 17.944 1
1 523 . 1 1 1 A 54 54 ALA N N 63 126.270 124.531 1.739 1
1 524 . 1 1 1 A 55 55 TRP H H 64 7.875 7.815 0.060 1
1 525 . 1 1 1 A 55 55 TRP HA H 64 4.378 4.347 0.031 1
1 534 . 1 1 1 A 55 55 TRP CA C 64 39.808 60.027 -20.219 1
1 535 . 1 1 1 A 55 55 TRP CB C 64 45.794 29.286 16.508 1
1 536 . 1 1 1 A 55 55 TRP N N 64 113.553 120.010 -6.457 1
1 538 . 1 1 1 A 56 56 LYS H H 65 6.197 7.577 -1.380 1
1 539 . 1 1 1 A 56 56 LYS HA H 65 3.631 2.266 1.365 1
1 547 . 1 1 1 A 56 56 LYS CA C 65 39.976 58.839 -18.863 1
1 548 . 1 1 1 A 56 56 LYS CB C 65 32.615 31.420 1.195 1
1 551 . 1 1 1 A 56 56 LYS N N 65 122.802 121.557 1.245 1
1 552 . 1 1 1 A 57 57 GLN H H 66 7.521 7.309 0.212 1
1 553 . 1 1 1 A 57 57 GLN HA H 66 3.585 3.142 0.443 1
1 560 . 1 1 1 A 57 57 GLN CA C 66 40.775 57.850 -17.075 1
1 561 . 1 1 1 A 57 57 GLN CB C 66 46.154 27.777 18.377 1
1 563 . 1 1 1 A 57 57 GLN N N 66 120.480 116.950 3.530 1
1 565 . 1 1 1 A 58 58 VAL H H 67 7.775 7.669 0.106 1
1 566 . 1 1 1 A 58 58 VAL HA H 67 3.197 3.140 0.057 1
1 574 . 1 1 1 A 58 58 VAL CA C 67 29.564 65.716 -36.152 1
1 575 . 1 1 1 A 58 58 VAL CB C 67 31.723 31.594 0.129 1
1 578 . 1 1 1 A 58 58 VAL N N 67 117.021 120.725 -3.704 1
1 579 . 1 1 1 A 59 59 ASN H H 68 7.497 9.259 -1.762 1
1 580 . 1 1 1 A 59 59 ASN HA H 68 4.310 4.422 -0.112 1
1 584 . 1 1 1 A 59 59 ASN CA C 68 37.310 56.272 -18.962 1
1 585 . 1 1 1 A 59 59 ASN CB C 68 37.866 38.095 -0.229 1
1 586 . 1 1 1 A 59 59 ASN N N 68 118.177 118.463 -0.286 1
1 588 . 1 1 1 A 60 60 LEU H H 69 8.144 7.532 0.612 1
1 589 . 1 1 1 A 60 60 LEU HA H 69 4.226 4.113 0.113 1
1 599 . 1 1 1 A 60 60 LEU CA C 69 39.078 57.726 -18.648 1
1 600 . 1 1 1 A 60 60 LEU CB C 69 42.244 41.607 0.637 1
1 603 . 1 1 1 A 60 60 LEU N N 69 122.570 120.300 2.270 1
1 604 . 1 1 1 A 61 61 LYS H H 70 8.190 7.852 0.338 1
1 605 . 1 1 1 A 61 61 LYS HA H 70 3.610 3.951 -0.341 1
1 611 . 1 1 1 A 61 61 LYS CA C 70 43.383 60.337 -16.954 1
1 612 . 1 1 1 A 61 61 LYS CB C 70 32.375 32.298 0.077 1
1 614 . 1 1 1 A 61 61 LYS N N 70 116.790 117.164 -0.374 1
1 615 . 1 1 1 A 62 62 LYS H H 71 8.863 7.885 0.978 1
1 616 . 1 1 1 A 62 62 LYS HA H 71 4.121 4.084 0.037 1
1 623 . 1 1 1 A 62 62 LYS CA C 71 41.331 59.402 -18.071 1
1 624 . 1 1 1 A 62 62 LYS CB C 71 32.973 32.272 0.701 1
1 628 . 1 1 1 A 62 62 LYS N N 71 119.102 119.677 -0.575 1
1 629 . 1 1 1 A 63 63 ALA H H 72 7.734 7.802 -0.068 1
1 630 . 1 1 1 A 63 63 ALA HA H 72 4.211 4.053 0.158 1
1 634 . 1 1 1 A 63 63 ALA CA C 72 35.710 54.761 -19.051 1
1 635 . 1 1 1 A 63 63 ALA CB C 72 37.243 18.431 18.812 1
1 636 . 1 1 1 A 63 63 ALA N N 72 121.414 121.584 -0.170 1
1 637 . 1 1 1 A 64 64 LYS H H 73 7.546 7.900 -0.354 1
1 638 . 1 1 1 A 64 64 LYS HA H 73 4.468 4.368 0.100 1
1 644 . 1 1 1 A 64 64 LYS CA C 73 34.628 56.959 -22.331 1
1 645 . 1 1 1 A 64 64 LYS CB C 73 32.588 33.165 -0.577 1
1 646 . 1 1 1 A 64 64 LYS N N 73 114.016 115.773 -1.757 1
1 647 . 1 1 1 A 65 65 GLY H H 74 7.508 8.428 -0.920 1
1 648 . 1 1 1 A 65 65 GLY HA2 H 74 4.260 4.067 0.193 1
1 649 . 1 1 1 A 65 65 GLY HA3 H 74 4.012 4.076 -0.064 1
1 650 . 1 1 1 A 65 65 GLY CA C 74 46.235 45.488 0.747 1
1 651 . 1 1 1 A 65 65 GLY N N 74 105.692 107.431 -1.739 1
1 652 . 1 1 1 A 66 66 LEU H H 75 8.400 8.481 -0.081 1
1 653 . 1 1 1 A 66 66 LEU HA H 75 4.519 4.193 0.326 1
1 663 . 1 1 1 A 66 66 LEU CA C 75 34.331 58.036 -23.705 1
1 664 . 1 1 1 A 66 66 LEU CB C 75 42.886 41.755 1.131 1
1 668 . 1 1 1 A 66 66 LEU N N 75 120.952 120.368 0.584 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 0 0.000 1
2 1 1 1 "RMS(OBS, PRED)" CA 54 19.170 1
3 1 1 1 "RMS(OBS, PRED)" CB 58 11.380 1
4 1 1 1 "RMS(OBS, PRED)" H 54 0.649 1
5 1 1 1 "RMS(OBS, PRED)" HA 62 0.416 1
6 1 1 1 "RMS(OBS, PRED)" N 54 2.886 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 6 6 CYS HA H 15 4.540 4.799 -0.259 2
1 4 . 1 1 A 6 6 CYS CB C 15 28.556 28.033 0.523 2
1 5 . 1 1 A 7 7 LYS HA H 16 4.376 4.708 -0.332 2
1 8 . 1 1 A 7 7 LYS CA C 16 37.775 55.941 -18.166 2
1 9 . 1 1 A 7 7 LYS CB C 16 33.150 33.095 0.055 2
1 10 . 1 1 A 8 8 THR H H 17 8.305 8.921 -0.616 2
1 11 . 1 1 A 8 8 THR HA H 17 4.320 5.174 -0.854 2
1 16 . 1 1 A 8 8 THR CA C 17 44.017 60.278 -16.261 2
1 17 . 1 1 A 8 8 THR CB C 17 31.886 71.323 -39.437 2
1 19 . 1 1 A 8 8 THR N N 17 115.400 119.395 -3.995 2
1 20 . 1 1 A 9 9 ILE H H 18 7.450 8.944 -1.494 2
1 21 . 1 1 A 9 9 ILE HA H 18 5.077 4.720 0.357 2
1 31 . 1 1 A 9 9 ILE CA C 18 38.964 60.510 -21.546 2
1 32 . 1 1 A 9 9 ILE CB C 18 40.553 38.305 2.248 2
1 36 . 1 1 A 9 9 ILE N N 18 122.802 128.661 -5.859 2
1 37 . 1 1 A 10 10 TYR H H 19 9.151 8.190 0.961 2
1 38 . 1 1 A 10 10 TYR HA H 19 4.927 4.792 0.135 2
1 43 . 1 1 A 10 10 TYR CB C 19 41.335 38.669 2.666 2
1 44 . 1 1 A 10 10 TYR N N 19 124.420 126.725 -2.305 2
1 45 . 1 1 A 11 11 PRO HA H 20 4.496 4.525 -0.029 2
1 52 . 1 1 A 11 11 PRO CA C 20 43.576 63.088 -19.512 2
1 53 . 1 1 A 11 11 PRO CB C 20 32.801 31.788 1.013 2
1 55 . 1 1 A 12 12 LEU H H 21 7.790 8.572 -0.782 2
1 56 . 1 1 A 12 12 LEU HA H 21 3.896 4.028 -0.132 2
1 66 . 1 1 A 12 12 LEU CA C 21 39.620 57.973 -18.353 2
1 67 . 1 1 A 12 12 LEU CB C 21 42.245 41.697 0.548 2
1 71 . 1 1 A 12 12 LEU N N 21 123.727 124.923 -1.196 2
1 72 . 1 1 A 13 13 ALA H H 22 8.995 8.215 0.780 2
1 73 . 1 1 A 13 13 ALA HA H 22 3.943 4.095 -0.152 2
1 77 . 1 1 A 13 13 ALA CA C 22 36.717 55.648 -18.931 2
1 78 . 1 1 A 13 13 ALA CB C 22 37.456 18.390 19.066 2
1 79 . 1 1 A 13 13 ALA N N 22 116.790 121.818 -5.028 2
1 80 . 1 1 A 14 14 ASP H H 23 7.393 8.248 -0.855 2
1 81 . 1 1 A 14 14 ASP HA H 23 4.387 4.366 0.021 2
1 84 . 1 1 A 14 14 ASP CB C 23 40.902 40.594 0.308 2
1 85 . 1 1 A 14 14 ASP N N 23 115.403 118.300 -2.897 2
1 86 . 1 1 A 15 15 LEU H H 24 7.452 7.459 -0.007 2
1 87 . 1 1 A 15 15 LEU HA H 24 4.281 4.516 -0.235 2
1 97 . 1 1 A 15 15 LEU CA C 24 35.761 54.984 -19.223 2
1 98 . 1 1 A 15 15 LEU CB C 24 41.179 43.207 -2.028 2
1 101 . 1 1 A 15 15 LEU N N 24 116.328 113.058 3.270 2
1 102 . 1 1 A 16 16 LEU H H 25 7.396 8.671 -1.275 2
1 103 . 1 1 A 16 16 LEU HA H 25 4.350 4.196 0.154 2
1 112 . 1 1 A 16 16 LEU CA C 25 36.365 57.165 -20.800 2
1 113 . 1 1 A 16 16 LEU CB C 25 42.493 42.224 0.269 2
1 116 . 1 1 A 16 16 LEU N N 25 116.790 121.367 -4.577 2
1 117 . 1 1 A 17 17 ALA H H 26 6.894 6.972 -0.078 2
1 118 . 1 1 A 17 17 ALA HA H 26 4.349 4.567 -0.218 2
1 122 . 1 1 A 17 17 ALA CB C 26 39.296 19.372 19.924 2
1 123 . 1 1 A 17 17 ALA N N 26 122.802 120.010 2.792 2
1 124 . 1 1 A 18 18 ARG H H 27 8.019 7.751 0.268 2
1 125 . 1 1 A 18 18 ARG HA H 27 4.429 4.821 -0.392 2
1 132 . 1 1 A 18 18 ARG CA C 27 32.436 53.090 -20.654 2
1 133 . 1 1 A 18 18 ARG CB C 27 31.405 34.030 -2.625 2
1 136 . 1 1 A 18 18 ARG N N 27 116.328 118.124 -1.796 2
1 137 . 1 1 A 19 19 PRO HA H 28 4.483 4.493 -0.010 2
1 144 . 1 1 A 19 19 PRO CA C 28 43.719 62.382 -18.663 2
1 145 . 1 1 A 19 19 PRO CB C 28 35.007 29.644 5.363 2
1 148 . 1 1 A 20 20 LEU H H 29 8.634 8.477 0.157 2
1 149 . 1 1 A 20 20 LEU HA H 29 4.286 4.609 -0.323 2
1 159 . 1 1 A 20 20 LEU CA C 29 34.887 53.143 -18.256 2
1 160 . 1 1 A 20 20 LEU CB C 29 42.067 41.768 0.299 2
1 163 . 1 1 A 20 20 LEU N N 29 123.033 120.107 2.926 2
1 164 . 1 1 A 21 21 PRO HA H 30 4.273 4.575 -0.302 2
1 171 . 1 1 A 21 21 PRO CA C 30 43.649 62.350 -18.701 2
1 172 . 1 1 A 21 21 PRO CB C 30 31.638 33.292 -1.654 2
1 175 . 1 1 A 22 22 GLU H H 31 8.522 8.793 -0.271 2
1 176 . 1 1 A 22 22 GLU HA H 31 3.988 4.399 -0.411 2
1 180 . 1 1 A 22 22 GLU CA C 31 39.044 58.242 -19.198 2
1 181 . 1 1 A 22 22 GLU CB C 31 29.490 30.809 -1.319 2
1 183 . 1 1 A 22 22 GLU N N 31 123.264 119.847 3.417 2
1 184 . 1 1 A 23 23 GLY H H 32 8.783 8.568 0.215 2
1 185 . 1 1 A 23 23 GLY HA2 H 32 4.177 3.992 0.185 2
1 186 . 1 1 A 23 23 GLY HA3 H 32 3.697 4.099 -0.402 2
1 187 . 1 1 A 23 23 GLY CA C 32 45.506 47.075 -1.569 2
1 188 . 1 1 A 23 23 GLY N N 32 111.472 108.206 3.266 2
1 189 . 1 1 A 24 24 VAL H H 33 6.850 7.696 -0.846 2
1 190 . 1 1 A 24 24 VAL HA H 33 3.805 3.763 0.042 2
1 198 . 1 1 A 24 24 VAL CA C 33 42.632 62.523 -19.891 2
1 199 . 1 1 A 24 24 VAL CB C 33 32.321 31.212 1.109 2
1 202 . 1 1 A 24 24 VAL N N 33 117.021 120.153 -3.132 2
1 203 . 1 1 A 25 25 ASP H H 34 8.276 9.131 -0.855 2
1 206 . 1 1 A 25 25 ASP CB C 34 41.766 40.474 1.292 2
1 207 . 1 1 A 25 25 ASP N N 34 126.270 128.448 -2.178 2
1 208 . 1 1 A 26 26 PRO HA H 35 4.082 4.348 -0.266 2
1 215 . 1 1 A 26 26 PRO CA C 35 44.876 64.741 -19.865 2
1 216 . 1 1 A 26 26 PRO CB C 35 32.282 32.122 0.160 2
1 219 . 1 1 A 27 27 LEU H H 36 8.583 8.175 0.408 2
1 220 . 1 1 A 27 27 LEU HA H 36 4.361 3.948 0.413 2
1 230 . 1 1 A 27 27 LEU CA C 36 36.955 56.196 -19.241 2
1 231 . 1 1 A 27 27 LEU CB C 36 41.466 41.379 0.087 2
1 235 . 1 1 A 27 27 LEU N N 36 118.640 115.641 2.999 2
1 236 . 1 1 A 28 28 LYS H H 37 7.838 7.150 0.688 2
1 237 . 1 1 A 28 28 LYS HA H 37 5.037 3.285 1.752 2
1 243 . 1 1 A 28 28 LYS CA C 37 35.415 54.594 -19.179 2
1 244 . 1 1 A 28 28 LYS CB C 37 33.967 34.814 -0.847 2
1 247 . 1 1 A 28 28 LYS N N 37 120.258 115.617 4.641 2
1 248 . 1 1 A 29 29 LEU H H 38 8.203 8.563 -0.360 2
1 249 . 1 1 A 29 29 LEU HA H 38 4.266 2.991 1.275 2
1 259 . 1 1 A 29 29 LEU CA C 38 39.317 55.187 -15.870 2
1 262 . 1 1 A 29 29 LEU N N 38 117.021 122.102 -5.081 2
1 263 . 1 1 A 30 30 GLU H H 39 10.041 9.154 0.887 2
1 264 . 1 1 A 30 30 GLU HA H 39 4.086 3.654 0.432 2
1 269 . 1 1 A 30 30 GLU CA C 39 39.629 58.144 -18.515 2
1 270 . 1 1 A 30 30 GLU CB C 39 45.835 28.344 17.491 2
1 272 . 1 1 A 30 30 GLU N N 39 114.478 117.746 -3.268 2
1 273 . 1 1 A 31 31 ILE H H 40 7.920 7.487 0.433 2
1 274 . 1 1 A 31 31 ILE HA H 40 4.266 4.396 -0.130 2
1 284 . 1 1 A 31 31 ILE CA C 40 44.411 61.275 -16.864 2
1 285 . 1 1 A 31 31 ILE CB C 40 37.472 37.897 -0.425 2
1 289 . 1 1 A 31 31 ILE N N 40 116.790 116.100 0.690 2
1 290 . 1 1 A 32 32 TYR H H 41 7.426 7.307 0.119 2
1 291 . 1 1 A 32 32 TYR HA H 41 4.928 4.735 0.193 2
1 296 . 1 1 A 32 32 TYR CB C 41 39.324 39.665 -0.341 2
1 297 . 1 1 A 32 32 TYR N N 41 119.565 117.950 1.615 2
1 298 . 1 1 A 33 33 LEU H H 42 6.749 7.405 -0.656 2
1 299 . 1 1 A 33 33 LEU HA H 42 5.266 5.077 0.189 2
1 309 . 1 1 A 33 33 LEU CA C 42 33.953 52.942 -18.989 2
1 310 . 1 1 A 33 33 LEU CB C 42 45.122 45.043 0.079 2
1 314 . 1 1 A 33 33 LEU N N 42 114.709 117.858 -3.149 2
1 315 . 1 1 A 34 34 THR H H 43 9.549 8.705 0.844 2
1 316 . 1 1 A 34 34 THR HA H 43 4.319 4.745 -0.426 2
1 322 . 1 1 A 34 34 THR CA C 43 42.615 61.731 -19.116 2
1 323 . 1 1 A 34 34 THR CB C 43 34.267 69.941 -35.674 2
1 325 . 1 1 A 34 34 THR N N 43 115.172 117.342 -2.170 2
1 326 . 1 1 A 35 35 ASP H H 44 9.173 9.327 -0.154 2
1 327 . 1 1 A 35 35 ASP HA H 44 4.361 4.425 -0.064 2
1 330 . 1 1 A 35 35 ASP CA C 44 39.549 57.142 -17.593 2
1 331 . 1 1 A 35 35 ASP CB C 44 39.585 40.191 -0.606 2
1 332 . 1 1 A 35 35 ASP N N 44 122.339 126.030 -3.691 2
1 333 . 1 1 A 36 36 GLU H H 45 8.781 8.460 0.321 2
1 334 . 1 1 A 36 36 GLU HA H 45 4.119 4.155 -0.036 2
1 339 . 1 1 A 36 36 GLU CA C 45 41.388 59.085 -17.697 2
1 340 . 1 1 A 36 36 GLU CB C 45 29.301 29.349 -0.048 2
1 342 . 1 1 A 36 36 GLU N N 45 118.640 119.769 -1.129 2
1 343 . 1 1 A 37 37 ASP H H 46 7.864 8.204 -0.340 2
1 344 . 1 1 A 37 37 ASP HA H 46 4.726 4.477 0.249 2
1 347 . 1 1 A 37 37 ASP CA C 46 38.055 57.285 -19.230 2
1 348 . 1 1 A 37 37 ASP CB C 46 41.567 40.922 0.645 2
1 349 . 1 1 A 37 37 ASP N N 46 121.646 120.569 1.077 2
1 350 . 1 1 A 38 38 PHE H H 47 9.196 9.722 -0.526 2
1 351 . 1 1 A 38 38 PHE HA H 47 3.753 4.055 -0.302 2
1 357 . 1 1 A 38 38 PHE CA C 47 43.221 61.437 -18.216 2
1 358 . 1 1 A 38 38 PHE CB C 47 40.280 38.976 1.304 2
1 359 . 1 1 A 38 38 PHE N N 47 122.802 119.761 3.041 2
1 360 . 1 1 A 39 39 GLU H H 48 8.496 9.295 -0.799 2
1 361 . 1 1 A 39 39 GLU HA H 48 4.413 4.076 0.337 2
1 365 . 1 1 A 39 39 GLU CA C 48 40.140 59.404 -19.264 2
1 366 . 1 1 A 39 39 GLU CB C 48 29.498 29.253 0.245 2
1 368 . 1 1 A 39 39 GLU N N 48 118.177 118.182 -0.005 2
1 369 . 1 1 A 40 40 PHE H H 49 7.898 8.152 -0.254 2
1 370 . 1 1 A 40 40 PHE HA H 49 4.320 4.231 0.089 2
1 376 . 1 1 A 40 40 PHE CA C 49 41.713 60.365 -18.652 2
1 377 . 1 1 A 40 40 PHE CB C 49 39.847 39.815 0.032 2
1 378 . 1 1 A 40 40 PHE N N 49 119.565 121.840 -2.275 2
1 379 . 1 1 A 41 41 ALA H H 50 8.637 7.978 0.659 2
1 380 . 1 1 A 41 41 ALA HA H 50 3.947 4.485 -0.538 2
1 384 . 1 1 A 41 41 ALA CA C 50 35.451 53.630 -18.179 2
1 385 . 1 1 A 41 41 ALA CB C 50 39.091 19.896 19.195 2
1 386 . 1 1 A 41 41 ALA N N 50 119.565 121.206 -1.641 2
1 387 . 1 1 A 42 42 LEU H H 51 8.275 8.116 0.159 2
1 388 . 1 1 A 42 42 LEU HA H 51 4.142 4.483 -0.341 2
1 397 . 1 1 A 42 42 LEU CA C 51 35.946 54.058 -18.112 2
1 398 . 1 1 A 42 42 LEU CB C 51 41.238 43.521 -2.283 2
1 402 . 1 1 A 42 42 LEU N N 51 113.553 115.214 -1.661 2
1 403 . 1 1 A 43 43 ASP H H 52 7.841 8.268 -0.427 2
1 404 . 1 1 A 43 43 ASP HA H 52 4.483 4.644 -0.161 2
1 407 . 1 1 A 43 43 ASP CA C 52 36.572 55.407 -18.835 2
1 408 . 1 1 A 43 43 ASP CB C 52 39.869 39.580 0.289 2
1 409 . 1 1 A 43 43 ASP N N 52 115.865 117.273 -1.408 2
1 410 . 1 1 A 44 44 MET H H 53 7.424 7.105 0.319 2
1 411 . 1 1 A 44 44 MET HA H 53 4.753 4.788 -0.035 2
1 419 . 1 1 A 44 44 MET CA C 53 36.030 53.197 -17.167 2
1 420 . 1 1 A 44 44 MET CB C 53 34.947 34.951 -0.004 2
1 422 . 1 1 A 44 44 MET N N 53 111.703 117.584 -5.881 2
1 423 . 1 1 A 45 45 THR H H 54 8.372 7.919 0.453 2
1 424 . 1 1 A 45 45 THR HA H 54 4.526 4.415 0.111 2
1 429 . 1 1 A 45 45 THR CA C 54 41.951 58.782 -16.831 2
1 430 . 1 1 A 45 45 THR CB C 54 33.933 71.823 -37.890 2
1 432 . 1 1 A 45 45 THR N N 54 107.079 110.273 -3.194 2
1 433 . 1 1 A 46 46 ARG H H 55 8.999 8.467 0.532 2
1 434 . 1 1 A 46 46 ARG HA H 55 3.469 3.747 -0.278 2
1 441 . 1 1 A 46 46 ARG CA C 55 41.154 58.949 -17.795 2
1 442 . 1 1 A 46 46 ARG CB C 55 29.806 30.030 -0.224 2
1 445 . 1 1 A 46 46 ARG N N 55 122.570 121.969 0.601 2
1 447 . 1 1 A 47 47 ASP H H 56 8.199 8.021 0.178 2
1 448 . 1 1 A 47 47 ASP HA H 56 4.334 4.464 -0.130 2
1 451 . 1 1 A 47 47 ASP CB C 56 40.724 41.120 -0.396 2
1 452 . 1 1 A 47 47 ASP N N 56 116.559 117.454 -0.895 2
1 453 . 1 1 A 48 48 GLU H H 57 7.547 7.830 -0.283 2
1 454 . 1 1 A 48 48 GLU HA H 57 3.920 4.188 -0.268 2
1 458 . 1 1 A 48 48 GLU CA C 57 40.418 58.367 -17.949 2
1 459 . 1 1 A 48 48 GLU CB C 57 29.932 30.331 -0.399 2
1 461 . 1 1 A 48 48 GLU N N 57 120.721 119.494 1.227 2
1 462 . 1 1 A 49 49 TYR H H 58 8.535 8.328 0.207 2
1 463 . 1 1 A 49 49 TYR HA H 58 4.181 4.127 0.054 2
1 468 . 1 1 A 49 49 TYR CA C 58 42.353 61.037 -18.684 2
1 469 . 1 1 A 49 49 TYR CB C 58 39.530 37.474 2.056 2
1 470 . 1 1 A 49 49 TYR N N 58 122.570 119.913 2.657 2
1 471 . 1 1 A 50 50 ASN H H 59 8.869 8.303 0.566 2
1 472 . 1 1 A 50 50 ASN HA H 59 4.293 4.516 -0.223 2
1 476 . 1 1 A 50 50 ASN CA C 59 35.728 56.190 -20.462 2
1 477 . 1 1 A 50 50 ASN CB C 59 38.117 38.355 -0.238 2
1 478 . 1 1 A 50 50 ASN N N 59 117.484 116.881 0.603 2
1 480 . 1 1 A 51 51 ALA H H 60 7.146 7.404 -0.258 2
1 481 . 1 1 A 51 51 ALA HA H 60 4.342 4.398 -0.056 2
1 485 . 1 1 A 51 51 ALA CA C 60 33.070 52.209 -19.139 2
1 486 . 1 1 A 51 51 ALA CB C 60 38.063 20.304 17.759 2
1 487 . 1 1 A 51 51 ALA N N 60 120.027 119.632 0.395 2
1 488 . 1 1 A 52 52 LEU H H 61 7.396 7.441 -0.045 2
1 489 . 1 1 A 52 52 LEU HA H 61 4.338 4.327 0.011 2
1 499 . 1 1 A 52 52 LEU CA C 61 33.941 53.541 -19.600 2
1 500 . 1 1 A 52 52 LEU CB C 61 42.540 40.842 1.698 2
1 504 . 1 1 A 52 52 LEU N N 61 121.183 121.699 -0.516 2
1 505 . 1 1 A 53 53 PRO HA H 62 4.381 4.431 -0.050 2
1 512 . 1 1 A 53 53 PRO CA C 62 43.181 62.680 -19.499 2
1 513 . 1 1 A 53 53 PRO CB C 62 32.503 32.527 -0.024 2
1 516 . 1 1 A 54 54 ALA H H 63 8.847 8.469 0.378 2
1 517 . 1 1 A 54 54 ALA HA H 63 3.953 3.978 -0.025 2
1 521 . 1 1 A 54 54 ALA CA C 63 36.779 54.026 -17.247 2
1 522 . 1 1 A 54 54 ALA CB C 63 36.769 18.825 17.944 2
1 523 . 1 1 A 54 54 ALA N N 63 126.270 124.531 1.739 2
1 524 . 1 1 A 55 55 TRP H H 64 7.875 7.815 0.060 2
1 525 . 1 1 A 55 55 TRP HA H 64 4.378 4.347 0.031 2
1 534 . 1 1 A 55 55 TRP CA C 64 39.808 60.027 -20.219 2
1 535 . 1 1 A 55 55 TRP CB C 64 45.794 29.286 16.508 2
1 536 . 1 1 A 55 55 TRP N N 64 113.553 120.010 -6.457 2
1 538 . 1 1 A 56 56 LYS H H 65 6.197 7.577 -1.380 2
1 539 . 1 1 A 56 56 LYS HA H 65 3.631 2.266 1.365 2
1 547 . 1 1 A 56 56 LYS CA C 65 39.976 58.839 -18.863 2
1 548 . 1 1 A 56 56 LYS CB C 65 32.615 31.420 1.195 2
1 551 . 1 1 A 56 56 LYS N N 65 122.802 121.557 1.245 2
1 552 . 1 1 A 57 57 GLN H H 66 7.521 7.309 0.212 2
1 553 . 1 1 A 57 57 GLN HA H 66 3.585 3.142 0.443 2
1 560 . 1 1 A 57 57 GLN CA C 66 40.775 57.850 -17.075 2
1 561 . 1 1 A 57 57 GLN CB C 66 46.154 27.777 18.377 2
1 563 . 1 1 A 57 57 GLN N N 66 120.480 116.950 3.530 2
1 565 . 1 1 A 58 58 VAL H H 67 7.775 7.669 0.106 2
1 566 . 1 1 A 58 58 VAL HA H 67 3.197 3.140 0.057 2
1 574 . 1 1 A 58 58 VAL CA C 67 29.564 65.716 -36.152 2
1 575 . 1 1 A 58 58 VAL CB C 67 31.723 31.594 0.129 2
1 578 . 1 1 A 58 58 VAL N N 67 117.021 120.725 -3.704 2
1 579 . 1 1 A 59 59 ASN H H 68 7.497 9.259 -1.762 2
1 580 . 1 1 A 59 59 ASN HA H 68 4.310 4.422 -0.112 2
1 584 . 1 1 A 59 59 ASN CA C 68 37.310 56.272 -18.962 2
1 585 . 1 1 A 59 59 ASN CB C 68 37.866 38.095 -0.229 2
1 586 . 1 1 A 59 59 ASN N N 68 118.177 118.463 -0.286 2
1 588 . 1 1 A 60 60 LEU H H 69 8.144 7.532 0.612 2
1 589 . 1 1 A 60 60 LEU HA H 69 4.226 4.113 0.113 2
1 599 . 1 1 A 60 60 LEU CA C 69 39.078 57.726 -18.648 2
1 600 . 1 1 A 60 60 LEU CB C 69 42.244 41.607 0.637 2
1 603 . 1 1 A 60 60 LEU N N 69 122.570 120.300 2.270 2
1 604 . 1 1 A 61 61 LYS H H 70 8.190 7.852 0.338 2
1 605 . 1 1 A 61 61 LYS HA H 70 3.610 3.951 -0.341 2
1 611 . 1 1 A 61 61 LYS CA C 70 43.383 60.337 -16.954 2
1 612 . 1 1 A 61 61 LYS CB C 70 32.375 32.298 0.077 2
1 614 . 1 1 A 61 61 LYS N N 70 116.790 117.164 -0.374 2
1 615 . 1 1 A 62 62 LYS H H 71 8.863 7.885 0.978 2
1 616 . 1 1 A 62 62 LYS HA H 71 4.121 4.084 0.037 2
1 623 . 1 1 A 62 62 LYS CA C 71 41.331 59.402 -18.071 2
1 624 . 1 1 A 62 62 LYS CB C 71 32.973 32.272 0.701 2
1 628 . 1 1 A 62 62 LYS N N 71 119.102 119.677 -0.575 2
1 629 . 1 1 A 63 63 ALA H H 72 7.734 7.802 -0.068 2
1 630 . 1 1 A 63 63 ALA HA H 72 4.211 4.053 0.158 2
1 634 . 1 1 A 63 63 ALA CA C 72 35.710 54.761 -19.051 2
1 635 . 1 1 A 63 63 ALA CB C 72 37.243 18.431 18.812 2
1 636 . 1 1 A 63 63 ALA N N 72 121.414 121.584 -0.170 2
1 637 . 1 1 A 64 64 LYS H H 73 7.546 7.900 -0.354 2
1 638 . 1 1 A 64 64 LYS HA H 73 4.468 4.368 0.100 2
1 644 . 1 1 A 64 64 LYS CA C 73 34.628 56.959 -22.331 2
1 645 . 1 1 A 64 64 LYS CB C 73 32.588 33.165 -0.577 2
1 646 . 1 1 A 64 64 LYS N N 73 114.016 115.773 -1.757 2
1 647 . 1 1 A 65 65 GLY H H 74 7.508 8.428 -0.920 2
1 648 . 1 1 A 65 65 GLY HA2 H 74 4.260 4.067 0.193 2
1 649 . 1 1 A 65 65 GLY HA3 H 74 4.012 4.076 -0.064 2
1 650 . 1 1 A 65 65 GLY CA C 74 46.235 45.488 0.747 2
1 651 . 1 1 A 65 65 GLY N N 74 105.692 107.431 -1.739 2
1 652 . 1 1 A 66 66 LEU H H 75 8.400 8.481 -0.081 2
1 653 . 1 1 A 66 66 LEU HA H 75 4.519 4.193 0.326 2
1 663 . 1 1 A 66 66 LEU CA C 75 34.331 58.036 -23.705 2
1 664 . 1 1 A 66 66 LEU CB C 75 42.886 41.755 1.131 2
1 668 . 1 1 A 66 66 LEU N N 75 120.952 120.368 0.584 2
stop_
save_