data_15873_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 15873
_Entry.PDB_ID 2K6M
_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 22
_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 S 6 6 CYS HA H 15 4.540 5.032 -0.492 1
1 4 . 1 1 1 S 6 6 CYS CB C 15 28.556 30.504 -1.948 1
1 5 . 1 1 1 S 7 7 LYS HA H 16 4.376 4.999 -0.623 1
1 8 . 1 1 1 S 7 7 LYS CA C 16 37.775 54.508 -16.733 1
1 9 . 1 1 1 S 7 7 LYS CB C 16 33.150 35.797 -2.647 1
1 10 . 1 1 1 S 8 8 THR H H 17 8.305 8.750 -0.445 1
1 11 . 1 1 1 S 8 8 THR HA H 17 4.320 5.087 -0.767 1
1 16 . 1 1 1 S 8 8 THR CA C 17 44.017 60.580 -16.563 1
1 17 . 1 1 1 S 8 8 THR CB C 17 31.886 71.424 -39.538 1
1 19 . 1 1 1 S 8 8 THR N N 17 115.400 115.973 -0.573 1
1 20 . 1 1 1 S 9 9 ILE H H 18 7.450 8.966 -1.516 1
1 21 . 1 1 1 S 9 9 ILE HA H 18 5.077 4.657 0.420 1
1 31 . 1 1 1 S 9 9 ILE CA C 18 38.964 60.490 -21.526 1
1 32 . 1 1 1 S 9 9 ILE CB C 18 40.553 38.870 1.683 1
1 36 . 1 1 1 S 9 9 ILE N N 18 122.802 128.372 -5.570 1
1 37 . 1 1 1 S 10 10 TYR H H 19 9.151 8.302 0.849 1
1 38 . 1 1 1 S 10 10 TYR HA H 19 4.927 4.821 0.106 1
1 43 . 1 1 1 S 10 10 TYR CB C 19 41.335 39.058 2.277 1
1 44 . 1 1 1 S 10 10 TYR N N 19 124.420 126.094 -1.674 1
1 45 . 1 1 1 S 11 11 PRO HA H 20 4.496 4.449 0.047 1
1 52 . 1 1 1 S 11 11 PRO CA C 20 43.576 63.162 -19.586 1
1 53 . 1 1 1 S 11 11 PRO CB C 20 32.801 31.958 0.843 1
1 55 . 1 1 1 S 12 12 LEU H H 21 7.790 8.538 -0.748 1
1 56 . 1 1 1 S 12 12 LEU HA H 21 3.896 4.114 -0.218 1
1 66 . 1 1 1 S 12 12 LEU CA C 21 39.620 57.823 -18.203 1
1 67 . 1 1 1 S 12 12 LEU CB C 21 42.245 41.667 0.578 1
1 71 . 1 1 1 S 12 12 LEU N N 21 123.727 125.124 -1.397 1
1 72 . 1 1 1 S 13 13 ALA H H 22 8.995 8.200 0.795 1
1 73 . 1 1 1 S 13 13 ALA HA H 22 3.943 4.053 -0.110 1
1 77 . 1 1 1 S 13 13 ALA CA C 22 36.717 55.732 -19.015 1
1 78 . 1 1 1 S 13 13 ALA CB C 22 37.456 18.177 19.279 1
1 79 . 1 1 1 S 13 13 ALA N N 22 116.790 121.400 -4.610 1
1 80 . 1 1 1 S 14 14 ASP H H 23 7.393 8.067 -0.674 1
1 81 . 1 1 1 S 14 14 ASP HA H 23 4.387 4.671 -0.284 1
1 84 . 1 1 1 S 14 14 ASP CB C 23 40.902 40.317 0.585 1
1 85 . 1 1 1 S 14 14 ASP N N 23 115.403 119.417 -4.014 1
1 86 . 1 1 1 S 15 15 LEU H H 24 7.452 7.414 0.038 1
1 87 . 1 1 1 S 15 15 LEU HA H 24 4.281 4.241 0.040 1
1 97 . 1 1 1 S 15 15 LEU CA C 24 35.761 56.530 -20.769 1
1 98 . 1 1 1 S 15 15 LEU CB C 24 41.179 42.085 -0.906 1
1 101 . 1 1 1 S 15 15 LEU N N 24 116.328 116.015 0.313 1
1 102 . 1 1 1 S 16 16 LEU H H 25 7.396 7.953 -0.557 1
1 103 . 1 1 1 S 16 16 LEU HA H 25 4.350 4.556 -0.206 1
1 112 . 1 1 1 S 16 16 LEU CA C 25 36.365 53.680 -17.315 1
1 113 . 1 1 1 S 16 16 LEU CB C 25 42.493 42.563 -0.070 1
1 116 . 1 1 1 S 16 16 LEU N N 25 116.790 121.096 -4.306 1
1 117 . 1 1 1 S 17 17 ALA H H 26 6.894 7.972 -1.078 1
1 118 . 1 1 1 S 17 17 ALA HA H 26 4.349 4.049 0.300 1
1 122 . 1 1 1 S 17 17 ALA CB C 26 39.296 17.567 21.729 1
1 123 . 1 1 1 S 17 17 ALA N N 26 122.802 119.383 3.419 1
1 124 . 1 1 1 S 18 18 ARG H H 27 8.019 7.327 0.692 1
1 125 . 1 1 1 S 18 18 ARG HA H 27 4.429 4.741 -0.312 1
1 132 . 1 1 1 S 18 18 ARG CA C 27 32.436 53.200 -20.764 1
1 133 . 1 1 1 S 18 18 ARG CB C 27 31.405 33.773 -2.368 1
1 136 . 1 1 1 S 18 18 ARG N N 27 116.328 115.990 0.338 1
1 137 . 1 1 1 S 19 19 PRO HA H 28 4.483 4.364 0.119 1
1 144 . 1 1 1 S 19 19 PRO CA C 28 43.719 63.331 -19.612 1
1 145 . 1 1 1 S 19 19 PRO CB C 28 35.007 31.683 3.324 1
1 148 . 1 1 1 S 20 20 LEU H H 29 8.634 8.056 0.578 1
1 149 . 1 1 1 S 20 20 LEU HA H 29 4.286 5.083 -0.797 1
1 159 . 1 1 1 S 20 20 LEU CA C 29 34.887 52.907 -18.020 1
1 160 . 1 1 1 S 20 20 LEU CB C 29 42.067 41.809 0.258 1
1 163 . 1 1 1 S 20 20 LEU N N 29 123.033 120.422 2.611 1
1 164 . 1 1 1 S 21 21 PRO HA H 30 4.273 4.628 -0.355 1
1 171 . 1 1 1 S 21 21 PRO CA C 30 43.649 62.066 -18.417 1
1 172 . 1 1 1 S 21 21 PRO CB C 30 31.638 33.126 -1.488 1
1 175 . 1 1 1 S 22 22 GLU H H 31 8.522 8.803 -0.281 1
1 176 . 1 1 1 S 22 22 GLU HA H 31 3.988 4.188 -0.200 1
1 180 . 1 1 1 S 22 22 GLU CA C 31 39.044 58.974 -19.930 1
1 181 . 1 1 1 S 22 22 GLU CB C 31 29.490 29.611 -0.121 1
1 183 . 1 1 1 S 22 22 GLU N N 31 123.264 120.961 2.303 1
1 184 . 1 1 1 S 23 23 GLY H H 32 8.783 8.432 0.351 1
1 185 . 1 1 1 S 23 23 GLY HA2 H 32 4.177 4.001 0.176 1
1 186 . 1 1 1 S 23 23 GLY HA3 H 32 3.697 4.136 -0.439 1
1 187 . 1 1 1 S 23 23 GLY CA C 32 45.506 47.095 -1.589 1
1 188 . 1 1 1 S 23 23 GLY N N 32 111.472 108.103 3.369 1
1 189 . 1 1 1 S 24 24 VAL H H 33 6.850 7.897 -1.047 1
1 190 . 1 1 1 S 24 24 VAL HA H 33 3.805 3.878 -0.073 1
1 198 . 1 1 1 S 24 24 VAL CA C 33 42.632 62.682 -20.050 1
1 199 . 1 1 1 S 24 24 VAL CB C 33 32.321 31.210 1.111 1
1 202 . 1 1 1 S 24 24 VAL N N 33 117.021 120.362 -3.341 1
1 203 . 1 1 1 S 25 25 ASP H H 34 8.276 9.178 -0.902 1
1 206 . 1 1 1 S 25 25 ASP CB C 34 41.766 40.985 0.781 1
1 207 . 1 1 1 S 25 25 ASP N N 34 126.270 128.374 -2.104 1
1 208 . 1 1 1 S 26 26 PRO HA H 35 4.082 4.217 -0.135 1
1 215 . 1 1 1 S 26 26 PRO CA C 35 44.876 65.161 -20.285 1
1 216 . 1 1 1 S 26 26 PRO CB C 35 32.282 31.936 0.346 1
1 219 . 1 1 1 S 27 27 LEU H H 36 8.583 8.097 0.486 1
1 220 . 1 1 1 S 27 27 LEU HA H 36 4.361 4.094 0.267 1
1 230 . 1 1 1 S 27 27 LEU CA C 36 36.955 55.460 -18.505 1
1 231 . 1 1 1 S 27 27 LEU CB C 36 41.466 41.469 -0.003 1
1 235 . 1 1 1 S 27 27 LEU N N 36 118.640 114.681 3.959 1
1 236 . 1 1 1 S 28 28 LYS H H 37 7.838 7.201 0.637 1
1 237 . 1 1 1 S 28 28 LYS HA H 37 5.037 4.598 0.439 1
1 243 . 1 1 1 S 28 28 LYS CA C 37 35.415 54.903 -19.488 1
1 244 . 1 1 1 S 28 28 LYS CB C 37 33.967 32.716 1.251 1
1 247 . 1 1 1 S 28 28 LYS N N 37 120.258 117.158 3.100 1
1 248 . 1 1 1 S 29 29 LEU H H 38 8.203 7.965 0.238 1
1 249 . 1 1 1 S 29 29 LEU HA H 38 4.266 2.225 2.041 1
1 259 . 1 1 1 S 29 29 LEU CA C 38 39.317 56.417 -17.100 1
1 262 . 1 1 1 S 29 29 LEU N N 38 117.021 124.154 -7.133 1
1 263 . 1 1 1 S 30 30 GLU H H 39 10.041 8.466 1.575 1
1 264 . 1 1 1 S 30 30 GLU HA H 39 4.086 3.708 0.378 1
1 269 . 1 1 1 S 30 30 GLU CA C 39 39.629 58.602 -18.973 1
1 270 . 1 1 1 S 30 30 GLU CB C 39 45.835 28.775 17.060 1
1 272 . 1 1 1 S 30 30 GLU N N 39 114.478 117.017 -2.539 1
1 273 . 1 1 1 S 31 31 ILE H H 40 7.920 7.609 0.311 1
1 274 . 1 1 1 S 31 31 ILE HA H 40 4.266 4.034 0.232 1
1 284 . 1 1 1 S 31 31 ILE CA C 40 44.411 63.555 -19.144 1
1 285 . 1 1 1 S 31 31 ILE CB C 40 37.472 37.190 0.282 1
1 289 . 1 1 1 S 31 31 ILE N N 40 116.790 116.476 0.314 1
1 290 . 1 1 1 S 32 32 TYR H H 41 7.426 8.025 -0.599 1
1 291 . 1 1 1 S 32 32 TYR HA H 41 4.928 4.693 0.235 1
1 296 . 1 1 1 S 32 32 TYR CB C 41 39.324 38.841 0.483 1
1 297 . 1 1 1 S 32 32 TYR N N 41 119.565 117.705 1.860 1
1 298 . 1 1 1 S 33 33 LEU H H 42 6.749 7.376 -0.627 1
1 299 . 1 1 1 S 33 33 LEU HA H 42 5.266 4.945 0.321 1
1 309 . 1 1 1 S 33 33 LEU CA C 42 33.953 53.348 -19.395 1
1 310 . 1 1 1 S 33 33 LEU CB C 42 45.122 44.727 0.395 1
1 314 . 1 1 1 S 33 33 LEU N N 42 114.709 117.332 -2.623 1
1 315 . 1 1 1 S 34 34 THR H H 43 9.549 8.833 0.716 1
1 316 . 1 1 1 S 34 34 THR HA H 43 4.319 4.563 -0.244 1
1 322 . 1 1 1 S 34 34 THR CA C 43 42.615 61.271 -18.656 1
1 323 . 1 1 1 S 34 34 THR CB C 43 34.267 70.571 -36.304 1
1 325 . 1 1 1 S 34 34 THR N N 43 115.172 113.807 1.365 1
1 326 . 1 1 1 S 35 35 ASP H H 44 9.173 9.209 -0.036 1
1 327 . 1 1 1 S 35 35 ASP HA H 44 4.361 4.425 -0.064 1
1 330 . 1 1 1 S 35 35 ASP CA C 44 39.549 56.963 -17.414 1
1 331 . 1 1 1 S 35 35 ASP CB C 44 39.585 40.145 -0.560 1
1 332 . 1 1 1 S 35 35 ASP N N 44 122.339 121.670 0.669 1
1 333 . 1 1 1 S 36 36 GLU H H 45 8.781 8.295 0.486 1
1 334 . 1 1 1 S 36 36 GLU HA H 45 4.119 4.144 -0.025 1
1 339 . 1 1 1 S 36 36 GLU CA C 45 41.388 59.024 -17.636 1
1 340 . 1 1 1 S 36 36 GLU CB C 45 29.301 29.424 -0.123 1
1 342 . 1 1 1 S 36 36 GLU N N 45 118.640 120.080 -1.440 1
1 343 . 1 1 1 S 37 37 ASP H H 46 7.864 8.018 -0.154 1
1 344 . 1 1 1 S 37 37 ASP HA H 46 4.726 4.488 0.238 1
1 347 . 1 1 1 S 37 37 ASP CA C 46 38.055 57.178 -19.123 1
1 348 . 1 1 1 S 37 37 ASP CB C 46 41.567 40.669 0.898 1
1 349 . 1 1 1 S 37 37 ASP N N 46 121.646 120.797 0.849 1
1 350 . 1 1 1 S 38 38 PHE H H 47 9.196 9.512 -0.316 1
1 351 . 1 1 1 S 38 38 PHE HA H 47 3.753 4.078 -0.325 1
1 357 . 1 1 1 S 38 38 PHE CA C 47 43.221 61.019 -17.798 1
1 358 . 1 1 1 S 38 38 PHE CB C 47 40.280 38.961 1.319 1
1 359 . 1 1 1 S 38 38 PHE N N 47 122.802 119.830 2.972 1
1 360 . 1 1 1 S 39 39 GLU H H 48 8.496 9.163 -0.667 1
1 361 . 1 1 1 S 39 39 GLU HA H 48 4.413 4.232 0.181 1
1 365 . 1 1 1 S 39 39 GLU CA C 48 40.140 58.892 -18.752 1
1 366 . 1 1 1 S 39 39 GLU CB C 48 29.498 29.533 -0.035 1
1 368 . 1 1 1 S 39 39 GLU N N 48 118.177 119.676 -1.499 1
1 369 . 1 1 1 S 40 40 PHE H H 49 7.898 8.438 -0.540 1
1 370 . 1 1 1 S 40 40 PHE HA H 49 4.320 4.188 0.132 1
1 376 . 1 1 1 S 40 40 PHE CA C 49 41.713 61.310 -19.597 1
1 377 . 1 1 1 S 40 40 PHE CB C 49 39.847 39.184 0.663 1
1 378 . 1 1 1 S 40 40 PHE N N 49 119.565 122.364 -2.799 1
1 379 . 1 1 1 S 41 41 ALA H H 50 8.637 8.160 0.477 1
1 380 . 1 1 1 S 41 41 ALA HA H 50 3.947 4.423 -0.476 1
1 384 . 1 1 1 S 41 41 ALA CA C 50 35.451 53.071 -17.620 1
1 385 . 1 1 1 S 41 41 ALA CB C 50 39.091 19.528 19.563 1
1 386 . 1 1 1 S 41 41 ALA N N 50 119.565 121.831 -2.266 1
1 387 . 1 1 1 S 42 42 LEU H H 51 8.275 7.515 0.760 1
1 388 . 1 1 1 S 42 42 LEU HA H 51 4.142 4.571 -0.429 1
1 397 . 1 1 1 S 42 42 LEU CA C 51 35.946 54.197 -18.251 1
1 398 . 1 1 1 S 42 42 LEU CB C 51 41.238 43.998 -2.760 1
1 402 . 1 1 1 S 42 42 LEU N N 51 113.553 114.553 -1.000 1
1 403 . 1 1 1 S 43 43 ASP H H 52 7.841 7.914 -0.073 1
1 404 . 1 1 1 S 43 43 ASP HA H 52 4.483 4.658 -0.175 1
1 407 . 1 1 1 S 43 43 ASP CA C 52 36.572 55.499 -18.927 1
1 408 . 1 1 1 S 43 43 ASP CB C 52 39.869 39.422 0.447 1
1 409 . 1 1 1 S 43 43 ASP N N 52 115.865 117.379 -1.514 1
1 410 . 1 1 1 S 44 44 MET H H 53 7.424 7.256 0.168 1
1 411 . 1 1 1 S 44 44 MET HA H 53 4.753 4.796 -0.043 1
1 419 . 1 1 1 S 44 44 MET CA C 53 36.030 53.532 -17.502 1
1 420 . 1 1 1 S 44 44 MET CB C 53 34.947 36.566 -1.619 1
1 422 . 1 1 1 S 44 44 MET N N 53 111.703 117.219 -5.516 1
1 423 . 1 1 1 S 45 45 THR H H 54 8.372 8.186 0.186 1
1 424 . 1 1 1 S 45 45 THR HA H 54 4.526 4.344 0.182 1
1 429 . 1 1 1 S 45 45 THR CA C 54 41.951 59.104 -17.153 1
1 430 . 1 1 1 S 45 45 THR CB C 54 33.933 71.018 -37.085 1
1 432 . 1 1 1 S 45 45 THR N N 54 107.079 113.355 -6.276 1
1 433 . 1 1 1 S 46 46 ARG H H 55 8.999 8.659 0.340 1
1 434 . 1 1 1 S 46 46 ARG HA H 55 3.469 3.879 -0.410 1
1 441 . 1 1 1 S 46 46 ARG CA C 55 41.154 59.173 -18.019 1
1 442 . 1 1 1 S 46 46 ARG CB C 55 29.806 30.048 -0.242 1
1 445 . 1 1 1 S 46 46 ARG N N 55 122.570 125.279 -2.709 1
1 447 . 1 1 1 S 47 47 ASP H H 56 8.199 8.035 0.164 1
1 448 . 1 1 1 S 47 47 ASP HA H 56 4.334 4.439 -0.105 1
1 451 . 1 1 1 S 47 47 ASP CB C 56 40.724 41.090 -0.366 1
1 452 . 1 1 1 S 47 47 ASP N N 56 116.559 117.577 -1.018 1
1 453 . 1 1 1 S 48 48 GLU H H 57 7.547 8.430 -0.883 1
1 454 . 1 1 1 S 48 48 GLU HA H 57 3.920 4.184 -0.264 1
1 458 . 1 1 1 S 48 48 GLU CA C 57 40.418 58.345 -17.927 1
1 459 . 1 1 1 S 48 48 GLU CB C 57 29.932 30.318 -0.386 1
1 461 . 1 1 1 S 48 48 GLU N N 57 120.721 119.486 1.235 1
1 462 . 1 1 1 S 49 49 TYR H H 58 8.535 8.144 0.391 1
1 463 . 1 1 1 S 49 49 TYR HA H 58 4.181 4.137 0.044 1
1 468 . 1 1 1 S 49 49 TYR CA C 58 42.353 61.283 -18.930 1
1 469 . 1 1 1 S 49 49 TYR CB C 58 39.530 37.252 2.278 1
1 470 . 1 1 1 S 49 49 TYR N N 58 122.570 119.727 2.843 1
1 471 . 1 1 1 S 50 50 ASN H H 59 8.869 8.398 0.471 1
1 472 . 1 1 1 S 50 50 ASN HA H 59 4.293 4.503 -0.210 1
1 476 . 1 1 1 S 50 50 ASN CA C 59 35.728 56.165 -20.437 1
1 477 . 1 1 1 S 50 50 ASN CB C 59 38.117 38.459 -0.342 1
1 478 . 1 1 1 S 50 50 ASN N N 59 117.484 117.609 -0.125 1
1 480 . 1 1 1 S 51 51 ALA H H 60 7.146 7.390 -0.244 1
1 481 . 1 1 1 S 51 51 ALA HA H 60 4.342 4.426 -0.084 1
1 485 . 1 1 1 S 51 51 ALA CA C 60 33.070 52.364 -19.294 1
1 486 . 1 1 1 S 51 51 ALA CB C 60 38.063 20.193 17.870 1
1 487 . 1 1 1 S 51 51 ALA N N 60 120.027 120.143 -0.116 1
1 488 . 1 1 1 S 52 52 LEU H H 61 7.396 7.302 0.094 1
1 489 . 1 1 1 S 52 52 LEU HA H 61 4.338 4.358 -0.020 1
1 499 . 1 1 1 S 52 52 LEU CA C 61 33.941 53.650 -19.709 1
1 500 . 1 1 1 S 52 52 LEU CB C 61 42.540 40.828 1.712 1
1 504 . 1 1 1 S 52 52 LEU N N 61 121.183 121.428 -0.245 1
1 505 . 1 1 1 S 53 53 PRO HA H 62 4.381 4.434 -0.053 1
1 512 . 1 1 1 S 53 53 PRO CA C 62 43.181 62.650 -19.469 1
1 513 . 1 1 1 S 53 53 PRO CB C 62 32.503 32.893 -0.390 1
1 516 . 1 1 1 S 54 54 ALA H H 63 8.847 8.508 0.339 1
1 517 . 1 1 1 S 54 54 ALA HA H 63 3.953 3.982 -0.029 1
1 521 . 1 1 1 S 54 54 ALA CA C 63 36.779 53.931 -17.152 1
1 522 . 1 1 1 S 54 54 ALA CB C 63 36.769 18.798 17.971 1
1 523 . 1 1 1 S 54 54 ALA N N 63 126.270 124.309 1.961 1
1 524 . 1 1 1 S 55 55 TRP H H 64 7.875 7.880 -0.005 1
1 525 . 1 1 1 S 55 55 TRP HA H 64 4.378 4.363 0.015 1
1 534 . 1 1 1 S 55 55 TRP CA C 64 39.808 60.016 -20.208 1
1 535 . 1 1 1 S 55 55 TRP CB C 64 45.794 29.072 16.722 1
1 536 . 1 1 1 S 55 55 TRP N N 64 113.553 119.986 -6.433 1
1 538 . 1 1 1 S 56 56 LYS H H 65 6.197 7.587 -1.390 1
1 539 . 1 1 1 S 56 56 LYS HA H 65 3.631 2.306 1.325 1
1 547 . 1 1 1 S 56 56 LYS CA C 65 39.976 58.780 -18.804 1
1 548 . 1 1 1 S 56 56 LYS CB C 65 32.615 31.605 1.010 1
1 551 . 1 1 1 S 56 56 LYS N N 65 122.802 121.234 1.568 1
1 552 . 1 1 1 S 57 57 GLN H H 66 7.521 7.325 0.196 1
1 553 . 1 1 1 S 57 57 GLN HA H 66 3.585 3.113 0.472 1
1 560 . 1 1 1 S 57 57 GLN CA C 66 40.775 57.831 -17.056 1
1 561 . 1 1 1 S 57 57 GLN CB C 66 46.154 27.832 18.322 1
1 563 . 1 1 1 S 57 57 GLN N N 66 120.480 117.471 3.009 1
1 565 . 1 1 1 S 58 58 VAL H H 67 7.775 7.649 0.126 1
1 566 . 1 1 1 S 58 58 VAL HA H 67 3.197 3.214 -0.017 1
1 574 . 1 1 1 S 58 58 VAL CA C 67 29.564 65.879 -36.315 1
1 575 . 1 1 1 S 58 58 VAL CB C 67 31.723 31.591 0.132 1
1 578 . 1 1 1 S 58 58 VAL N N 67 117.021 120.741 -3.720 1
1 579 . 1 1 1 S 59 59 ASN H H 68 7.497 9.213 -1.716 1
1 580 . 1 1 1 S 59 59 ASN HA H 68 4.310 4.438 -0.128 1
1 584 . 1 1 1 S 59 59 ASN CA C 68 37.310 56.278 -18.968 1
1 585 . 1 1 1 S 59 59 ASN CB C 68 37.866 38.096 -0.230 1
1 586 . 1 1 1 S 59 59 ASN N N 68 118.177 118.526 -0.349 1
1 588 . 1 1 1 S 60 60 LEU H H 69 8.144 7.533 0.611 1
1 589 . 1 1 1 S 60 60 LEU HA H 69 4.226 4.077 0.149 1
1 599 . 1 1 1 S 60 60 LEU CA C 69 39.078 57.871 -18.793 1
1 600 . 1 1 1 S 60 60 LEU CB C 69 42.244 41.581 0.663 1
1 603 . 1 1 1 S 60 60 LEU N N 69 122.570 120.241 2.329 1
1 604 . 1 1 1 S 61 61 LYS H H 70 8.190 7.899 0.291 1
1 605 . 1 1 1 S 61 61 LYS HA H 70 3.610 4.016 -0.406 1
1 611 . 1 1 1 S 61 61 LYS CA C 70 43.383 60.422 -17.039 1
1 612 . 1 1 1 S 61 61 LYS CB C 70 32.375 32.299 0.076 1
1 614 . 1 1 1 S 61 61 LYS N N 70 116.790 116.866 -0.076 1
1 615 . 1 1 1 S 62 62 LYS H H 71 8.863 8.194 0.669 1
1 616 . 1 1 1 S 62 62 LYS HA H 71 4.121 4.149 -0.028 1
1 623 . 1 1 1 S 62 62 LYS CA C 71 41.331 59.186 -17.855 1
1 624 . 1 1 1 S 62 62 LYS CB C 71 32.973 32.133 0.840 1
1 628 . 1 1 1 S 62 62 LYS N N 71 119.102 119.541 -0.439 1
1 629 . 1 1 1 S 63 63 ALA H H 72 7.734 7.389 0.345 1
1 630 . 1 1 1 S 63 63 ALA HA H 72 4.211 4.148 0.063 1
1 634 . 1 1 1 S 63 63 ALA CA C 72 35.710 54.710 -19.000 1
1 635 . 1 1 1 S 63 63 ALA CB C 72 37.243 18.276 18.967 1
1 636 . 1 1 1 S 63 63 ALA N N 72 121.414 122.037 -0.623 1
1 637 . 1 1 1 S 64 64 LYS H H 73 7.546 8.034 -0.488 1
1 638 . 1 1 1 S 64 64 LYS HA H 73 4.468 4.337 0.131 1
1 644 . 1 1 1 S 64 64 LYS CA C 73 34.628 56.560 -21.932 1
1 645 . 1 1 1 S 64 64 LYS CB C 73 32.588 33.235 -0.647 1
1 646 . 1 1 1 S 64 64 LYS N N 73 114.016 116.098 -2.082 1
1 647 . 1 1 1 S 65 65 GLY H H 74 7.508 8.562 -1.054 1
1 648 . 1 1 1 S 65 65 GLY HA2 H 74 4.260 4.088 0.172 1
1 649 . 1 1 1 S 65 65 GLY HA3 H 74 4.012 4.096 -0.084 1
1 650 . 1 1 1 S 65 65 GLY CA C 74 46.235 45.096 1.139 1
1 651 . 1 1 1 S 65 65 GLY N N 74 105.692 106.861 -1.169 1
1 652 . 1 1 1 S 66 66 LEU H H 75 8.400 8.124 0.276 1
1 653 . 1 1 1 S 66 66 LEU HA H 75 4.519 4.126 0.393 1
1 663 . 1 1 1 S 66 66 LEU CA C 75 34.331 58.379 -24.048 1
1 664 . 1 1 1 S 66 66 LEU CB C 75 42.886 41.813 1.073 1
1 668 . 1 1 1 S 66 66 LEU N N 75 120.952 122.426 -1.474 1
1 1 . 2 1 1 S 6 6 CYS HA H 15 4.540 5.169 -0.629 1
1 4 . 2 1 1 S 6 6 CYS CB C 15 28.556 31.169 -2.613 1
1 5 . 2 1 1 S 7 7 LYS HA H 16 4.376 5.176 -0.800 1
1 8 . 2 1 1 S 7 7 LYS CA C 16 37.775 54.889 -17.114 1
1 9 . 2 1 1 S 7 7 LYS CB C 16 33.150 34.359 -1.209 1
1 10 . 2 1 1 S 8 8 THR H H 17 8.305 8.836 -0.531 1
1 11 . 2 1 1 S 8 8 THR HA H 17 4.320 5.042 -0.722 1
1 16 . 2 1 1 S 8 8 THR CA C 17 44.017 60.134 -16.117 1
1 17 . 2 1 1 S 8 8 THR CB C 17 31.886 72.045 -40.159 1
1 19 . 2 1 1 S 8 8 THR N N 17 115.400 116.424 -1.024 1
1 20 . 2 1 1 S 9 9 ILE H H 18 7.450 8.581 -1.131 1
1 21 . 2 1 1 S 9 9 ILE HA H 18 5.077 4.632 0.445 1
1 31 . 2 1 1 S 9 9 ILE CA C 18 38.964 60.051 -21.087 1
1 32 . 2 1 1 S 9 9 ILE CB C 18 40.553 39.584 0.969 1
1 36 . 2 1 1 S 9 9 ILE N N 18 122.802 127.740 -4.938 1
1 37 . 2 1 1 S 10 10 TYR H H 19 9.151 8.473 0.678 1
1 38 . 2 1 1 S 10 10 TYR HA H 19 4.927 4.792 0.135 1
1 43 . 2 1 1 S 10 10 TYR CB C 19 41.335 38.890 2.445 1
1 44 . 2 1 1 S 10 10 TYR N N 19 124.420 129.725 -5.305 1
1 45 . 2 1 1 S 11 11 PRO HA H 20 4.496 4.500 -0.004 1
1 52 . 2 1 1 S 11 11 PRO CA C 20 43.576 63.054 -19.478 1
1 53 . 2 1 1 S 11 11 PRO CB C 20 32.801 31.660 1.141 1
1 55 . 2 1 1 S 12 12 LEU H H 21 7.790 8.570 -0.780 1
1 56 . 2 1 1 S 12 12 LEU HA H 21 3.896 3.969 -0.073 1
1 66 . 2 1 1 S 12 12 LEU CA C 21 39.620 57.825 -18.205 1
1 67 . 2 1 1 S 12 12 LEU CB C 21 42.245 41.799 0.446 1
1 71 . 2 1 1 S 12 12 LEU N N 21 123.727 124.966 -1.239 1
1 72 . 2 1 1 S 13 13 ALA H H 22 8.995 8.478 0.517 1
1 73 . 2 1 1 S 13 13 ALA HA H 22 3.943 4.034 -0.091 1
1 77 . 2 1 1 S 13 13 ALA CA C 22 36.717 55.495 -18.778 1
1 78 . 2 1 1 S 13 13 ALA CB C 22 37.456 18.292 19.164 1
1 79 . 2 1 1 S 13 13 ALA N N 22 116.790 121.591 -4.801 1
1 80 . 2 1 1 S 14 14 ASP H H 23 7.393 8.184 -0.791 1
1 81 . 2 1 1 S 14 14 ASP HA H 23 4.387 4.379 0.008 1
1 84 . 2 1 1 S 14 14 ASP CB C 23 40.902 40.298 0.604 1
1 85 . 2 1 1 S 14 14 ASP N N 23 115.403 118.846 -3.443 1
1 86 . 2 1 1 S 15 15 LEU H H 24 7.452 7.421 0.031 1
1 87 . 2 1 1 S 15 15 LEU HA H 24 4.281 4.476 -0.195 1
1 97 . 2 1 1 S 15 15 LEU CA C 24 35.761 54.866 -19.105 1
1 98 . 2 1 1 S 15 15 LEU CB C 24 41.179 43.075 -1.896 1
1 101 . 2 1 1 S 15 15 LEU N N 24 116.328 113.196 3.132 1
1 102 . 2 1 1 S 16 16 LEU H H 25 7.396 8.245 -0.849 1
1 103 . 2 1 1 S 16 16 LEU HA H 25 4.350 4.100 0.250 1
1 112 . 2 1 1 S 16 16 LEU CA C 25 36.365 57.426 -21.061 1
1 113 . 2 1 1 S 16 16 LEU CB C 25 42.493 42.106 0.387 1
1 116 . 2 1 1 S 16 16 LEU N N 25 116.790 121.390 -4.600 1
1 117 . 2 1 1 S 17 17 ALA H H 26 6.894 7.414 -0.520 1
1 118 . 2 1 1 S 17 17 ALA HA H 26 4.349 4.594 -0.245 1
1 122 . 2 1 1 S 17 17 ALA CB C 26 39.296 19.489 19.807 1
1 123 . 2 1 1 S 17 17 ALA N N 26 122.802 119.461 3.341 1
1 124 . 2 1 1 S 18 18 ARG H H 27 8.019 7.487 0.532 1
1 125 . 2 1 1 S 18 18 ARG HA H 27 4.429 4.930 -0.501 1
1 132 . 2 1 1 S 18 18 ARG CA C 27 32.436 53.904 -21.468 1
1 133 . 2 1 1 S 18 18 ARG CB C 27 31.405 33.022 -1.617 1
1 136 . 2 1 1 S 18 18 ARG N N 27 116.328 114.549 1.779 1
1 137 . 2 1 1 S 19 19 PRO HA H 28 4.483 4.364 0.119 1
1 144 . 2 1 1 S 19 19 PRO CA C 28 43.719 63.235 -19.516 1
1 145 . 2 1 1 S 19 19 PRO CB C 28 35.007 31.627 3.380 1
1 148 . 2 1 1 S 20 20 LEU H H 29 8.634 8.813 -0.179 1
1 149 . 2 1 1 S 20 20 LEU HA H 29 4.286 4.853 -0.567 1
1 159 . 2 1 1 S 20 20 LEU CA C 29 34.887 53.184 -18.297 1
1 160 . 2 1 1 S 20 20 LEU CB C 29 42.067 41.879 0.188 1
1 163 . 2 1 1 S 20 20 LEU N N 29 123.033 120.288 2.745 1
1 164 . 2 1 1 S 21 21 PRO HA H 30 4.273 4.564 -0.291 1
1 171 . 2 1 1 S 21 21 PRO CA C 30 43.649 62.370 -18.721 1
1 172 . 2 1 1 S 21 21 PRO CB C 30 31.638 33.432 -1.794 1
1 175 . 2 1 1 S 22 22 GLU H H 31 8.522 8.856 -0.334 1
1 176 . 2 1 1 S 22 22 GLU HA H 31 3.988 4.288 -0.300 1
1 180 . 2 1 1 S 22 22 GLU CA C 31 39.044 58.505 -19.461 1
1 181 . 2 1 1 S 22 22 GLU CB C 31 29.490 30.191 -0.701 1
1 183 . 2 1 1 S 22 22 GLU N N 31 123.264 120.187 3.077 1
1 184 . 2 1 1 S 23 23 GLY H H 32 8.783 8.560 0.223 1
1 185 . 2 1 1 S 23 23 GLY HA2 H 32 4.177 4.015 0.162 1
1 186 . 2 1 1 S 23 23 GLY HA3 H 32 3.697 4.166 -0.469 1
1 187 . 2 1 1 S 23 23 GLY CA C 32 45.506 47.119 -1.613 1
1 188 . 2 1 1 S 23 23 GLY N N 32 111.472 108.233 3.239 1
1 189 . 2 1 1 S 24 24 VAL H H 33 6.850 7.870 -1.020 1
1 190 . 2 1 1 S 24 24 VAL HA H 33 3.805 3.940 -0.135 1
1 198 . 2 1 1 S 24 24 VAL CA C 33 42.632 62.693 -20.061 1
1 199 . 2 1 1 S 24 24 VAL CB C 33 32.321 31.188 1.133 1
1 202 . 2 1 1 S 24 24 VAL N N 33 117.021 120.272 -3.251 1
1 203 . 2 1 1 S 25 25 ASP H H 34 8.276 9.137 -0.861 1
1 206 . 2 1 1 S 25 25 ASP CB C 34 41.766 40.810 0.956 1
1 207 . 2 1 1 S 25 25 ASP N N 34 126.270 128.455 -2.185 1
1 208 . 2 1 1 S 26 26 PRO HA H 35 4.082 4.251 -0.169 1
1 215 . 2 1 1 S 26 26 PRO CA C 35 44.876 64.959 -20.083 1
1 216 . 2 1 1 S 26 26 PRO CB C 35 32.282 32.006 0.276 1
1 219 . 2 1 1 S 27 27 LEU H H 36 8.583 8.133 0.450 1
1 220 . 2 1 1 S 27 27 LEU HA H 36 4.361 4.167 0.194 1
1 230 . 2 1 1 S 27 27 LEU CA C 36 36.955 55.609 -18.654 1
1 231 . 2 1 1 S 27 27 LEU CB C 36 41.466 41.507 -0.041 1
1 235 . 2 1 1 S 27 27 LEU N N 36 118.640 114.627 4.013 1
1 236 . 2 1 1 S 28 28 LYS H H 37 7.838 7.170 0.668 1
1 237 . 2 1 1 S 28 28 LYS HA H 37 5.037 4.596 0.441 1
1 243 . 2 1 1 S 28 28 LYS CA C 37 35.415 55.088 -19.673 1
1 244 . 2 1 1 S 28 28 LYS CB C 37 33.967 33.083 0.884 1
1 247 . 2 1 1 S 28 28 LYS N N 37 120.258 117.103 3.155 1
1 248 . 2 1 1 S 29 29 LEU H H 38 8.203 7.708 0.495 1
1 249 . 2 1 1 S 29 29 LEU HA H 38 4.266 2.229 2.037 1
1 259 . 2 1 1 S 29 29 LEU CA C 38 39.317 56.653 -17.336 1
1 262 . 2 1 1 S 29 29 LEU N N 38 117.021 124.882 -7.861 1
1 263 . 2 1 1 S 30 30 GLU H H 39 10.041 8.299 1.742 1
1 264 . 2 1 1 S 30 30 GLU HA H 39 4.086 3.647 0.439 1
1 269 . 2 1 1 S 30 30 GLU CA C 39 39.629 58.699 -19.070 1
1 270 . 2 1 1 S 30 30 GLU CB C 39 45.835 28.797 17.038 1
1 272 . 2 1 1 S 30 30 GLU N N 39 114.478 116.950 -2.472 1
1 273 . 2 1 1 S 31 31 ILE H H 40 7.920 7.389 0.531 1
1 274 . 2 1 1 S 31 31 ILE HA H 40 4.266 3.976 0.290 1
1 284 . 2 1 1 S 31 31 ILE CA C 40 44.411 64.103 -19.692 1
1 285 . 2 1 1 S 31 31 ILE CB C 40 37.472 37.212 0.260 1
1 289 . 2 1 1 S 31 31 ILE N N 40 116.790 117.354 -0.564 1
1 290 . 2 1 1 S 32 32 TYR H H 41 7.426 7.856 -0.430 1
1 291 . 2 1 1 S 32 32 TYR HA H 41 4.928 4.436 0.492 1
1 296 . 2 1 1 S 32 32 TYR CB C 41 39.324 39.029 0.295 1
1 297 . 2 1 1 S 32 32 TYR N N 41 119.565 118.328 1.237 1
1 298 . 2 1 1 S 33 33 LEU H H 42 6.749 7.359 -0.610 1
1 299 . 2 1 1 S 33 33 LEU HA H 42 5.266 4.970 0.296 1
1 309 . 2 1 1 S 33 33 LEU CA C 42 33.953 53.111 -19.158 1
1 310 . 2 1 1 S 33 33 LEU CB C 42 45.122 44.978 0.144 1
1 314 . 2 1 1 S 33 33 LEU N N 42 114.709 117.291 -2.582 1
1 315 . 2 1 1 S 34 34 THR H H 43 9.549 8.630 0.919 1
1 316 . 2 1 1 S 34 34 THR HA H 43 4.319 4.765 -0.446 1
1 322 . 2 1 1 S 34 34 THR CA C 43 42.615 61.705 -19.090 1
1 323 . 2 1 1 S 34 34 THR CB C 43 34.267 70.459 -36.192 1
1 325 . 2 1 1 S 34 34 THR N N 43 115.172 117.557 -2.385 1
1 326 . 2 1 1 S 35 35 ASP H H 44 9.173 9.186 -0.013 1
1 327 . 2 1 1 S 35 35 ASP HA H 44 4.361 4.458 -0.097 1
1 330 . 2 1 1 S 35 35 ASP CA C 44 39.549 56.989 -17.440 1
1 331 . 2 1 1 S 35 35 ASP CB C 44 39.585 39.767 -0.182 1
1 332 . 2 1 1 S 35 35 ASP N N 44 122.339 123.714 -1.375 1
1 333 . 2 1 1 S 36 36 GLU H H 45 8.781 8.287 0.494 1
1 334 . 2 1 1 S 36 36 GLU HA H 45 4.119 4.127 -0.008 1
1 339 . 2 1 1 S 36 36 GLU CA C 45 41.388 59.177 -17.789 1
1 340 . 2 1 1 S 36 36 GLU CB C 45 29.301 29.317 -0.016 1
1 342 . 2 1 1 S 36 36 GLU N N 45 118.640 120.492 -1.852 1
1 343 . 2 1 1 S 37 37 ASP H H 46 7.864 8.078 -0.214 1
1 344 . 2 1 1 S 37 37 ASP HA H 46 4.726 4.465 0.261 1
1 347 . 2 1 1 S 37 37 ASP CA C 46 38.055 57.266 -19.211 1
1 348 . 2 1 1 S 37 37 ASP CB C 46 41.567 40.867 0.700 1
1 349 . 2 1 1 S 37 37 ASP N N 46 121.646 120.547 1.099 1
1 350 . 2 1 1 S 38 38 PHE H H 47 9.196 9.242 -0.046 1
1 351 . 2 1 1 S 38 38 PHE HA H 47 3.753 4.158 -0.405 1
1 357 . 2 1 1 S 38 38 PHE CA C 47 43.221 61.303 -18.082 1
1 358 . 2 1 1 S 38 38 PHE CB C 47 40.280 38.833 1.447 1
1 359 . 2 1 1 S 38 38 PHE N N 47 122.802 119.419 3.383 1
1 360 . 2 1 1 S 39 39 GLU H H 48 8.496 9.355 -0.859 1
1 361 . 2 1 1 S 39 39 GLU HA H 48 4.413 4.089 0.324 1
1 365 . 2 1 1 S 39 39 GLU CA C 48 40.140 59.619 -19.479 1
1 366 . 2 1 1 S 39 39 GLU CB C 48 29.498 29.558 -0.060 1
1 368 . 2 1 1 S 39 39 GLU N N 48 118.177 117.808 0.369 1
1 369 . 2 1 1 S 40 40 PHE H H 49 7.898 7.833 0.065 1
1 370 . 2 1 1 S 40 40 PHE HA H 49 4.320 4.360 -0.040 1
1 376 . 2 1 1 S 40 40 PHE CA C 49 41.713 60.326 -18.613 1
1 377 . 2 1 1 S 40 40 PHE CB C 49 39.847 39.233 0.614 1
1 378 . 2 1 1 S 40 40 PHE N N 49 119.565 119.397 0.168 1
1 379 . 2 1 1 S 41 41 ALA H H 50 8.637 7.986 0.651 1
1 380 . 2 1 1 S 41 41 ALA HA H 50 3.947 4.444 -0.497 1
1 384 . 2 1 1 S 41 41 ALA CA C 50 35.451 53.712 -18.261 1
1 385 . 2 1 1 S 41 41 ALA CB C 50 39.091 19.843 19.248 1
1 386 . 2 1 1 S 41 41 ALA N N 50 119.565 121.928 -2.363 1
1 387 . 2 1 1 S 42 42 LEU H H 51 8.275 8.163 0.112 1
1 388 . 2 1 1 S 42 42 LEU HA H 51 4.142 4.454 -0.312 1
1 397 . 2 1 1 S 42 42 LEU CA C 51 35.946 54.304 -18.358 1
1 398 . 2 1 1 S 42 42 LEU CB C 51 41.238 42.629 -1.391 1
1 402 . 2 1 1 S 42 42 LEU N N 51 113.553 115.023 -1.470 1
1 403 . 2 1 1 S 43 43 ASP H H 52 7.841 8.233 -0.392 1
1 404 . 2 1 1 S 43 43 ASP HA H 52 4.483 4.727 -0.244 1
1 407 . 2 1 1 S 43 43 ASP CA C 52 36.572 55.441 -18.869 1
1 408 . 2 1 1 S 43 43 ASP CB C 52 39.869 39.442 0.427 1
1 409 . 2 1 1 S 43 43 ASP N N 52 115.865 117.242 -1.377 1
1 410 . 2 1 1 S 44 44 MET H H 53 7.424 7.360 0.064 1
1 411 . 2 1 1 S 44 44 MET HA H 53 4.753 4.848 -0.095 1
1 419 . 2 1 1 S 44 44 MET CA C 53 36.030 53.178 -17.148 1
1 420 . 2 1 1 S 44 44 MET CB C 53 34.947 34.770 0.177 1
1 422 . 2 1 1 S 44 44 MET N N 53 111.703 117.086 -5.383 1
1 423 . 2 1 1 S 45 45 THR H H 54 8.372 8.135 0.237 1
1 424 . 2 1 1 S 45 45 THR HA H 54 4.526 4.677 -0.151 1
1 429 . 2 1 1 S 45 45 THR CA C 54 41.951 59.069 -17.118 1
1 430 . 2 1 1 S 45 45 THR CB C 54 33.933 72.046 -38.113 1
1 432 . 2 1 1 S 45 45 THR N N 54 107.079 111.511 -4.432 1
1 433 . 2 1 1 S 46 46 ARG H H 55 8.999 8.509 0.490 1
1 434 . 2 1 1 S 46 46 ARG HA H 55 3.469 3.343 0.126 1
1 441 . 2 1 1 S 46 46 ARG CA C 55 41.154 58.757 -17.603 1
1 442 . 2 1 1 S 46 46 ARG CB C 55 29.806 29.914 -0.108 1
1 445 . 2 1 1 S 46 46 ARG N N 55 122.570 122.178 0.392 1
1 447 . 2 1 1 S 47 47 ASP H H 56 8.199 7.970 0.229 1
1 448 . 2 1 1 S 47 47 ASP HA H 56 4.334 4.442 -0.108 1
1 451 . 2 1 1 S 47 47 ASP CB C 56 40.724 41.139 -0.415 1
1 452 . 2 1 1 S 47 47 ASP N N 56 116.559 117.504 -0.945 1
1 453 . 2 1 1 S 48 48 GLU H H 57 7.547 8.117 -0.570 1
1 454 . 2 1 1 S 48 48 GLU HA H 57 3.920 4.176 -0.256 1
1 458 . 2 1 1 S 48 48 GLU CA C 57 40.418 58.451 -18.033 1
1 459 . 2 1 1 S 48 48 GLU CB C 57 29.932 30.298 -0.366 1
1 461 . 2 1 1 S 48 48 GLU N N 57 120.721 119.699 1.022 1
1 462 . 2 1 1 S 49 49 TYR H H 58 8.535 8.328 0.207 1
1 463 . 2 1 1 S 49 49 TYR HA H 58 4.181 4.132 0.049 1
1 468 . 2 1 1 S 49 49 TYR CA C 58 42.353 60.991 -18.638 1
1 469 . 2 1 1 S 49 49 TYR CB C 58 39.530 37.528 2.002 1
1 470 . 2 1 1 S 49 49 TYR N N 58 122.570 119.745 2.825 1
1 471 . 2 1 1 S 50 50 ASN H H 59 8.869 8.328 0.541 1
1 472 . 2 1 1 S 50 50 ASN HA H 59 4.293 4.493 -0.200 1
1 476 . 2 1 1 S 50 50 ASN CA C 59 35.728 56.118 -20.390 1
1 477 . 2 1 1 S 50 50 ASN CB C 59 38.117 38.289 -0.172 1
1 478 . 2 1 1 S 50 50 ASN N N 59 117.484 117.403 0.081 1
1 480 . 2 1 1 S 51 51 ALA H H 60 7.146 7.413 -0.267 1
1 481 . 2 1 1 S 51 51 ALA HA H 60 4.342 4.387 -0.045 1
1 485 . 2 1 1 S 51 51 ALA CA C 60 33.070 52.127 -19.057 1
1 486 . 2 1 1 S 51 51 ALA CB C 60 38.063 20.317 17.746 1
1 487 . 2 1 1 S 51 51 ALA N N 60 120.027 119.914 0.113 1
1 488 . 2 1 1 S 52 52 LEU H H 61 7.396 7.619 -0.223 1
1 489 . 2 1 1 S 52 52 LEU HA H 61 4.338 4.338 0.000 1
1 499 . 2 1 1 S 52 52 LEU CA C 61 33.941 53.619 -19.678 1
1 500 . 2 1 1 S 52 52 LEU CB C 61 42.540 40.922 1.618 1
1 504 . 2 1 1 S 52 52 LEU N N 61 121.183 121.605 -0.422 1
1 505 . 2 1 1 S 53 53 PRO HA H 62 4.381 4.423 -0.042 1
1 512 . 2 1 1 S 53 53 PRO CA C 62 43.181 62.640 -19.459 1
1 513 . 2 1 1 S 53 53 PRO CB C 62 32.503 32.799 -0.296 1
1 516 . 2 1 1 S 54 54 ALA H H 63 8.847 8.504 0.343 1
1 517 . 2 1 1 S 54 54 ALA HA H 63 3.953 3.991 -0.038 1
1 521 . 2 1 1 S 54 54 ALA CA C 63 36.779 54.080 -17.301 1
1 522 . 2 1 1 S 54 54 ALA CB C 63 36.769 18.803 17.966 1
1 523 . 2 1 1 S 54 54 ALA N N 63 126.270 124.350 1.920 1
1 524 . 2 1 1 S 55 55 TRP H H 64 7.875 7.818 0.057 1
1 525 . 2 1 1 S 55 55 TRP HA H 64 4.378 4.366 0.012 1
1 534 . 2 1 1 S 55 55 TRP CA C 64 39.808 59.976 -20.168 1
1 535 . 2 1 1 S 55 55 TRP CB C 64 45.794 29.273 16.521 1
1 536 . 2 1 1 S 55 55 TRP N N 64 113.553 120.198 -6.645 1
1 538 . 2 1 1 S 56 56 LYS H H 65 6.197 7.582 -1.385 1
1 539 . 2 1 1 S 56 56 LYS HA H 65 3.631 2.309 1.322 1
1 547 . 2 1 1 S 56 56 LYS CA C 65 39.976 58.873 -18.897 1
1 548 . 2 1 1 S 56 56 LYS CB C 65 32.615 31.545 1.070 1
1 551 . 2 1 1 S 56 56 LYS N N 65 122.802 121.782 1.020 1
1 552 . 2 1 1 S 57 57 GLN H H 66 7.521 7.469 0.052 1
1 553 . 2 1 1 S 57 57 GLN HA H 66 3.585 3.237 0.348 1
1 560 . 2 1 1 S 57 57 GLN CA C 66 40.775 57.827 -17.052 1
1 561 . 2 1 1 S 57 57 GLN CB C 66 46.154 27.790 18.364 1
1 563 . 2 1 1 S 57 57 GLN N N 66 120.480 117.198 3.282 1
1 565 . 2 1 1 S 58 58 VAL H H 67 7.775 7.573 0.202 1
1 566 . 2 1 1 S 58 58 VAL HA H 67 3.197 3.300 -0.103 1
1 574 . 2 1 1 S 58 58 VAL CA C 67 29.564 66.137 -36.573 1
1 575 . 2 1 1 S 58 58 VAL CB C 67 31.723 31.484 0.239 1
1 578 . 2 1 1 S 58 58 VAL N N 67 117.021 120.629 -3.608 1
1 579 . 2 1 1 S 59 59 ASN H H 68 7.497 9.200 -1.703 1
1 580 . 2 1 1 S 59 59 ASN HA H 68 4.310 4.463 -0.153 1
1 584 . 2 1 1 S 59 59 ASN CA C 68 37.310 56.498 -19.188 1
1 585 . 2 1 1 S 59 59 ASN CB C 68 37.866 38.209 -0.343 1
1 586 . 2 1 1 S 59 59 ASN N N 68 118.177 118.567 -0.390 1
1 588 . 2 1 1 S 60 60 LEU H H 69 8.144 7.493 0.651 1
1 589 . 2 1 1 S 60 60 LEU HA H 69 4.226 4.105 0.121 1
1 599 . 2 1 1 S 60 60 LEU CA C 69 39.078 57.719 -18.641 1
1 600 . 2 1 1 S 60 60 LEU CB C 69 42.244 41.693 0.551 1
1 603 . 2 1 1 S 60 60 LEU N N 69 122.570 120.146 2.424 1
1 604 . 2 1 1 S 61 61 LYS H H 70 8.190 7.987 0.203 1
1 605 . 2 1 1 S 61 61 LYS HA H 70 3.610 3.989 -0.379 1
1 611 . 2 1 1 S 61 61 LYS CA C 70 43.383 60.492 -17.109 1
1 612 . 2 1 1 S 61 61 LYS CB C 70 32.375 32.361 0.014 1
1 614 . 2 1 1 S 61 61 LYS N N 70 116.790 116.891 -0.101 1
1 615 . 2 1 1 S 62 62 LYS H H 71 8.863 8.321 0.542 1
1 616 . 2 1 1 S 62 62 LYS HA H 71 4.121 4.222 -0.101 1
1 623 . 2 1 1 S 62 62 LYS CA C 71 41.331 59.212 -17.881 1
1 624 . 2 1 1 S 62 62 LYS CB C 71 32.973 32.051 0.922 1
1 628 . 2 1 1 S 62 62 LYS N N 71 119.102 119.087 0.015 1
1 629 . 2 1 1 S 63 63 ALA H H 72 7.734 7.502 0.232 1
1 630 . 2 1 1 S 63 63 ALA HA H 72 4.211 4.207 0.004 1
1 634 . 2 1 1 S 63 63 ALA CA C 72 35.710 54.184 -18.474 1
1 635 . 2 1 1 S 63 63 ALA CB C 72 37.243 18.654 18.589 1
1 636 . 2 1 1 S 63 63 ALA N N 72 121.414 122.454 -1.040 1
1 637 . 2 1 1 S 64 64 LYS H H 73 7.546 8.264 -0.718 1
1 638 . 2 1 1 S 64 64 LYS HA H 73 4.468 4.355 0.113 1
1 644 . 2 1 1 S 64 64 LYS CA C 73 34.628 56.314 -21.686 1
1 645 . 2 1 1 S 64 64 LYS CB C 73 32.588 33.420 -0.832 1
1 646 . 2 1 1 S 64 64 LYS N N 73 114.016 116.255 -2.239 1
1 647 . 2 1 1 S 65 65 GLY H H 74 7.508 7.985 -0.477 1
1 648 . 2 1 1 S 65 65 GLY HA2 H 74 4.260 4.101 0.159 1
1 649 . 2 1 1 S 65 65 GLY HA3 H 74 4.012 4.113 -0.101 1
1 650 . 2 1 1 S 65 65 GLY CA C 74 46.235 45.191 1.044 1
1 651 . 2 1 1 S 65 65 GLY N N 74 105.692 107.055 -1.363 1
1 652 . 2 1 1 S 66 66 LEU H H 75 8.400 7.891 0.509 1
1 653 . 2 1 1 S 66 66 LEU HA H 75 4.519 4.066 0.453 1
1 663 . 2 1 1 S 66 66 LEU CA C 75 34.331 58.392 -24.061 1
1 664 . 2 1 1 S 66 66 LEU CB C 75 42.886 41.856 1.030 1
1 668 . 2 1 1 S 66 66 LEU N N 75 120.952 122.386 -1.434 1
1 1 . 3 1 1 S 6 6 CYS HA H 15 4.540 5.135 -0.595 1
1 4 . 3 1 1 S 6 6 CYS CB C 15 28.556 29.815 -1.259 1
1 5 . 3 1 1 S 7 7 LYS HA H 16 4.376 5.250 -0.874 1
1 8 . 3 1 1 S 7 7 LYS CA C 16 37.775 55.111 -17.336 1
1 9 . 3 1 1 S 7 7 LYS CB C 16 33.150 36.137 -2.987 1
1 10 . 3 1 1 S 8 8 THR H H 17 8.305 8.847 -0.542 1
1 11 . 3 1 1 S 8 8 THR HA H 17 4.320 5.068 -0.748 1
1 16 . 3 1 1 S 8 8 THR CA C 17 44.017 60.651 -16.634 1
1 17 . 3 1 1 S 8 8 THR CB C 17 31.886 71.744 -39.858 1
1 19 . 3 1 1 S 8 8 THR N N 17 115.400 116.839 -1.439 1
1 20 . 3 1 1 S 9 9 ILE H H 18 7.450 8.996 -1.546 1
1 21 . 3 1 1 S 9 9 ILE HA H 18 5.077 4.895 0.182 1
1 31 . 3 1 1 S 9 9 ILE CA C 18 38.964 60.507 -21.543 1
1 32 . 3 1 1 S 9 9 ILE CB C 18 40.553 38.360 2.193 1
1 36 . 3 1 1 S 9 9 ILE N N 18 122.802 128.722 -5.920 1
1 37 . 3 1 1 S 10 10 TYR H H 19 9.151 8.406 0.745 1
1 38 . 3 1 1 S 10 10 TYR HA H 19 4.927 4.838 0.089 1
1 43 . 3 1 1 S 10 10 TYR CB C 19 41.335 39.159 2.176 1
1 44 . 3 1 1 S 10 10 TYR N N 19 124.420 127.689 -3.269 1
1 45 . 3 1 1 S 11 11 PRO HA H 20 4.496 4.513 -0.017 1
1 52 . 3 1 1 S 11 11 PRO CA C 20 43.576 63.096 -19.520 1
1 53 . 3 1 1 S 11 11 PRO CB C 20 32.801 31.791 1.010 1
1 55 . 3 1 1 S 12 12 LEU H H 21 7.790 8.235 -0.445 1
1 56 . 3 1 1 S 12 12 LEU HA H 21 3.896 4.022 -0.126 1
1 66 . 3 1 1 S 12 12 LEU CA C 21 39.620 57.963 -18.343 1
1 67 . 3 1 1 S 12 12 LEU CB C 21 42.245 41.684 0.561 1
1 71 . 3 1 1 S 12 12 LEU N N 21 123.727 124.902 -1.175 1
1 72 . 3 1 1 S 13 13 ALA H H 22 8.995 8.268 0.727 1
1 73 . 3 1 1 S 13 13 ALA HA H 22 3.943 4.082 -0.139 1
1 77 . 3 1 1 S 13 13 ALA CA C 22 36.717 55.677 -18.960 1
1 78 . 3 1 1 S 13 13 ALA CB C 22 37.456 18.384 19.072 1
1 79 . 3 1 1 S 13 13 ALA N N 22 116.790 121.528 -4.738 1
1 80 . 3 1 1 S 14 14 ASP H H 23 7.393 8.244 -0.851 1
1 81 . 3 1 1 S 14 14 ASP HA H 23 4.387 4.363 0.024 1
1 84 . 3 1 1 S 14 14 ASP CB C 23 40.902 40.522 0.380 1
1 85 . 3 1 1 S 14 14 ASP N N 23 115.403 118.520 -3.117 1
1 86 . 3 1 1 S 15 15 LEU H H 24 7.452 7.436 0.016 1
1 87 . 3 1 1 S 15 15 LEU HA H 24 4.281 4.544 -0.263 1
1 97 . 3 1 1 S 15 15 LEU CA C 24 35.761 55.338 -19.577 1
1 98 . 3 1 1 S 15 15 LEU CB C 24 41.179 43.198 -2.019 1
1 101 . 3 1 1 S 15 15 LEU N N 24 116.328 114.734 1.594 1
1 102 . 3 1 1 S 16 16 LEU H H 25 7.396 8.680 -1.284 1
1 103 . 3 1 1 S 16 16 LEU HA H 25 4.350 4.175 0.175 1
1 112 . 3 1 1 S 16 16 LEU CA C 25 36.365 57.192 -20.827 1
1 113 . 3 1 1 S 16 16 LEU CB C 25 42.493 41.959 0.534 1
1 116 . 3 1 1 S 16 16 LEU N N 25 116.790 121.315 -4.525 1
1 117 . 3 1 1 S 17 17 ALA H H 26 6.894 7.044 -0.150 1
1 118 . 3 1 1 S 17 17 ALA HA H 26 4.349 4.542 -0.193 1
1 122 . 3 1 1 S 17 17 ALA CB C 26 39.296 19.298 19.998 1
1 123 . 3 1 1 S 17 17 ALA N N 26 122.802 120.150 2.652 1
1 124 . 3 1 1 S 18 18 ARG H H 27 8.019 7.636 0.383 1
1 125 . 3 1 1 S 18 18 ARG HA H 27 4.429 4.915 -0.486 1
1 132 . 3 1 1 S 18 18 ARG CA C 27 32.436 53.493 -21.057 1
1 133 . 3 1 1 S 18 18 ARG CB C 27 31.405 34.024 -2.619 1
1 136 . 3 1 1 S 18 18 ARG N N 27 116.328 118.766 -2.438 1
1 137 . 3 1 1 S 19 19 PRO HA H 28 4.483 4.434 0.049 1
1 144 . 3 1 1 S 19 19 PRO CA C 28 43.719 62.720 -19.001 1
1 145 . 3 1 1 S 19 19 PRO CB C 28 35.007 30.436 4.571 1
1 148 . 3 1 1 S 20 20 LEU H H 29 8.634 8.112 0.522 1
1 149 . 3 1 1 S 20 20 LEU HA H 29 4.286 4.782 -0.496 1
1 159 . 3 1 1 S 20 20 LEU CA C 29 34.887 52.918 -18.031 1
1 160 . 3 1 1 S 20 20 LEU CB C 29 42.067 41.884 0.183 1
1 163 . 3 1 1 S 20 20 LEU N N 29 123.033 119.313 3.720 1
1 164 . 3 1 1 S 21 21 PRO HA H 30 4.273 4.619 -0.346 1
1 171 . 3 1 1 S 21 21 PRO CA C 30 43.649 62.361 -18.712 1
1 172 . 3 1 1 S 21 21 PRO CB C 30 31.638 33.304 -1.666 1
1 175 . 3 1 1 S 22 22 GLU H H 31 8.522 8.831 -0.309 1
1 176 . 3 1 1 S 22 22 GLU HA H 31 3.988 4.354 -0.366 1
1 180 . 3 1 1 S 22 22 GLU CA C 31 39.044 57.884 -18.840 1
1 181 . 3 1 1 S 22 22 GLU CB C 31 29.490 29.728 -0.238 1
1 183 . 3 1 1 S 22 22 GLU N N 31 123.264 120.479 2.785 1
1 184 . 3 1 1 S 23 23 GLY H H 32 8.783 8.421 0.362 1
1 185 . 3 1 1 S 23 23 GLY HA2 H 32 4.177 3.988 0.189 1
1 186 . 3 1 1 S 23 23 GLY HA3 H 32 3.697 4.017 -0.320 1
1 187 . 3 1 1 S 23 23 GLY CA C 32 45.506 46.969 -1.463 1
1 188 . 3 1 1 S 23 23 GLY N N 32 111.472 107.585 3.887 1
1 189 . 3 1 1 S 24 24 VAL H H 33 6.850 7.723 -0.873 1
1 190 . 3 1 1 S 24 24 VAL HA H 33 3.805 4.106 -0.301 1
1 198 . 3 1 1 S 24 24 VAL CA C 33 42.632 61.184 -18.552 1
1 199 . 3 1 1 S 24 24 VAL CB C 33 32.321 31.609 0.712 1
1 202 . 3 1 1 S 24 24 VAL N N 33 117.021 117.902 -0.881 1
1 203 . 3 1 1 S 25 25 ASP H H 34 8.276 9.080 -0.804 1
1 206 . 3 1 1 S 25 25 ASP CB C 34 41.766 40.793 0.973 1
1 207 . 3 1 1 S 25 25 ASP N N 34 126.270 127.432 -1.162 1
1 208 . 3 1 1 S 26 26 PRO HA H 35 4.082 4.436 -0.354 1
1 215 . 3 1 1 S 26 26 PRO CA C 35 44.876 64.586 -19.710 1
1 216 . 3 1 1 S 26 26 PRO CB C 35 32.282 31.973 0.309 1
1 219 . 3 1 1 S 27 27 LEU H H 36 8.583 8.249 0.334 1
1 220 . 3 1 1 S 27 27 LEU HA H 36 4.361 4.074 0.287 1
1 230 . 3 1 1 S 27 27 LEU CA C 36 36.955 54.547 -17.592 1
1 231 . 3 1 1 S 27 27 LEU CB C 36 41.466 41.682 -0.216 1
1 235 . 3 1 1 S 27 27 LEU N N 36 118.640 114.768 3.872 1
1 236 . 3 1 1 S 28 28 LYS H H 37 7.838 8.241 -0.403 1
1 237 . 3 1 1 S 28 28 LYS HA H 37 5.037 4.949 0.088 1
1 243 . 3 1 1 S 28 28 LYS CA C 37 35.415 55.233 -19.818 1
1 244 . 3 1 1 S 28 28 LYS CB C 37 33.967 32.587 1.380 1
1 247 . 3 1 1 S 28 28 LYS N N 37 120.258 117.151 3.107 1
1 248 . 3 1 1 S 29 29 LEU H H 38 8.203 8.625 -0.422 1
1 249 . 3 1 1 S 29 29 LEU HA H 38 4.266 2.625 1.641 1
1 259 . 3 1 1 S 29 29 LEU CA C 38 39.317 56.908 -17.591 1
1 262 . 3 1 1 S 29 29 LEU N N 38 117.021 124.837 -7.816 1
1 263 . 3 1 1 S 30 30 GLU H H 39 10.041 7.928 2.113 1
1 264 . 3 1 1 S 30 30 GLU HA H 39 4.086 3.659 0.427 1
1 269 . 3 1 1 S 30 30 GLU CA C 39 39.629 58.414 -18.785 1
1 270 . 3 1 1 S 30 30 GLU CB C 39 45.835 28.547 17.288 1
1 272 . 3 1 1 S 30 30 GLU N N 39 114.478 116.726 -2.248 1
1 273 . 3 1 1 S 31 31 ILE H H 40 7.920 7.369 0.551 1
1 274 . 3 1 1 S 31 31 ILE HA H 40 4.266 3.817 0.449 1
1 284 . 3 1 1 S 31 31 ILE CA C 40 44.411 64.032 -19.621 1
1 285 . 3 1 1 S 31 31 ILE CB C 40 37.472 37.245 0.227 1
1 289 . 3 1 1 S 31 31 ILE N N 40 116.790 117.211 -0.421 1
1 290 . 3 1 1 S 32 32 TYR H H 41 7.426 7.529 -0.103 1
1 291 . 3 1 1 S 32 32 TYR HA H 41 4.928 4.463 0.465 1
1 296 . 3 1 1 S 32 32 TYR CB C 41 39.324 38.867 0.457 1
1 297 . 3 1 1 S 32 32 TYR N N 41 119.565 118.291 1.274 1
1 298 . 3 1 1 S 33 33 LEU H H 42 6.749 7.249 -0.500 1
1 299 . 3 1 1 S 33 33 LEU HA H 42 5.266 4.916 0.350 1
1 309 . 3 1 1 S 33 33 LEU CA C 42 33.953 53.255 -19.302 1
1 310 . 3 1 1 S 33 33 LEU CB C 42 45.122 44.871 0.251 1
1 314 . 3 1 1 S 33 33 LEU N N 42 114.709 117.571 -2.862 1
1 315 . 3 1 1 S 34 34 THR H H 43 9.549 8.842 0.707 1
1 316 . 3 1 1 S 34 34 THR HA H 43 4.319 4.561 -0.242 1
1 322 . 3 1 1 S 34 34 THR CA C 43 42.615 61.399 -18.784 1
1 323 . 3 1 1 S 34 34 THR CB C 43 34.267 71.021 -36.754 1
1 325 . 3 1 1 S 34 34 THR N N 43 115.172 113.547 1.625 1
1 326 . 3 1 1 S 35 35 ASP H H 44 9.173 9.200 -0.027 1
1 327 . 3 1 1 S 35 35 ASP HA H 44 4.361 4.506 -0.145 1
1 330 . 3 1 1 S 35 35 ASP CA C 44 39.549 57.309 -17.760 1
1 331 . 3 1 1 S 35 35 ASP CB C 44 39.585 39.920 -0.335 1
1 332 . 3 1 1 S 35 35 ASP N N 44 122.339 121.246 1.093 1
1 333 . 3 1 1 S 36 36 GLU H H 45 8.781 8.062 0.719 1
1 334 . 3 1 1 S 36 36 GLU HA H 45 4.119 4.120 -0.001 1
1 339 . 3 1 1 S 36 36 GLU CA C 45 41.388 59.356 -17.968 1
1 340 . 3 1 1 S 36 36 GLU CB C 45 29.301 29.326 -0.025 1
1 342 . 3 1 1 S 36 36 GLU N N 45 118.640 119.947 -1.307 1
1 343 . 3 1 1 S 37 37 ASP H H 46 7.864 8.162 -0.298 1
1 344 . 3 1 1 S 37 37 ASP HA H 46 4.726 4.464 0.262 1
1 347 . 3 1 1 S 37 37 ASP CA C 46 38.055 57.225 -19.170 1
1 348 . 3 1 1 S 37 37 ASP CB C 46 41.567 40.963 0.604 1
1 349 . 3 1 1 S 37 37 ASP N N 46 121.646 120.865 0.781 1
1 350 . 3 1 1 S 38 38 PHE H H 47 9.196 9.354 -0.158 1
1 351 . 3 1 1 S 38 38 PHE HA H 47 3.753 4.037 -0.284 1
1 357 . 3 1 1 S 38 38 PHE CA C 47 43.221 61.313 -18.092 1
1 358 . 3 1 1 S 38 38 PHE CB C 47 40.280 38.942 1.338 1
1 359 . 3 1 1 S 38 38 PHE N N 47 122.802 120.005 2.797 1
1 360 . 3 1 1 S 39 39 GLU H H 48 8.496 9.649 -1.153 1
1 361 . 3 1 1 S 39 39 GLU HA H 48 4.413 3.996 0.417 1
1 365 . 3 1 1 S 39 39 GLU CA C 48 40.140 59.522 -19.382 1
1 366 . 3 1 1 S 39 39 GLU CB C 48 29.498 29.465 0.033 1
1 368 . 3 1 1 S 39 39 GLU N N 48 118.177 116.392 1.785 1
1 369 . 3 1 1 S 40 40 PHE H H 49 7.898 8.043 -0.145 1
1 370 . 3 1 1 S 40 40 PHE HA H 49 4.320 4.289 0.031 1
1 376 . 3 1 1 S 40 40 PHE CA C 49 41.713 60.065 -18.352 1
1 377 . 3 1 1 S 40 40 PHE CB C 49 39.847 39.217 0.630 1
1 378 . 3 1 1 S 40 40 PHE N N 49 119.565 121.715 -2.150 1
1 379 . 3 1 1 S 41 41 ALA H H 50 8.637 7.890 0.747 1
1 380 . 3 1 1 S 41 41 ALA HA H 50 3.947 4.503 -0.556 1
1 384 . 3 1 1 S 41 41 ALA CA C 50 35.451 53.674 -18.223 1
1 385 . 3 1 1 S 41 41 ALA CB C 50 39.091 19.815 19.276 1
1 386 . 3 1 1 S 41 41 ALA N N 50 119.565 121.660 -2.095 1
1 387 . 3 1 1 S 42 42 LEU H H 51 8.275 8.201 0.074 1
1 388 . 3 1 1 S 42 42 LEU HA H 51 4.142 4.556 -0.414 1
1 397 . 3 1 1 S 42 42 LEU CA C 51 35.946 54.220 -18.274 1
1 398 . 3 1 1 S 42 42 LEU CB C 51 41.238 43.224 -1.986 1
1 402 . 3 1 1 S 42 42 LEU N N 51 113.553 114.934 -1.381 1
1 403 . 3 1 1 S 43 43 ASP H H 52 7.841 7.927 -0.086 1
1 404 . 3 1 1 S 43 43 ASP HA H 52 4.483 4.569 -0.086 1
1 407 . 3 1 1 S 43 43 ASP CA C 52 36.572 55.488 -18.916 1
1 408 . 3 1 1 S 43 43 ASP CB C 52 39.869 39.371 0.498 1
1 409 . 3 1 1 S 43 43 ASP N N 52 115.865 117.439 -1.574 1
1 410 . 3 1 1 S 44 44 MET H H 53 7.424 7.110 0.314 1
1 411 . 3 1 1 S 44 44 MET HA H 53 4.753 4.563 0.190 1
1 419 . 3 1 1 S 44 44 MET CA C 53 36.030 53.089 -17.059 1
1 420 . 3 1 1 S 44 44 MET CB C 53 34.947 34.573 0.374 1
1 422 . 3 1 1 S 44 44 MET N N 53 111.703 116.953 -5.250 1
1 423 . 3 1 1 S 45 45 THR H H 54 8.372 8.002 0.370 1
1 424 . 3 1 1 S 45 45 THR HA H 54 4.526 3.973 0.553 1
1 429 . 3 1 1 S 45 45 THR CA C 54 41.951 58.618 -16.667 1
1 430 . 3 1 1 S 45 45 THR CB C 54 33.933 71.045 -37.112 1
1 432 . 3 1 1 S 45 45 THR N N 54 107.079 113.308 -6.229 1
1 433 . 3 1 1 S 46 46 ARG H H 55 8.999 8.407 0.592 1
1 434 . 3 1 1 S 46 46 ARG HA H 55 3.469 3.797 -0.328 1
1 441 . 3 1 1 S 46 46 ARG CA C 55 41.154 59.051 -17.897 1
1 442 . 3 1 1 S 46 46 ARG CB C 55 29.806 30.126 -0.320 1
1 445 . 3 1 1 S 46 46 ARG N N 55 122.570 125.551 -2.981 1
1 447 . 3 1 1 S 47 47 ASP H H 56 8.199 7.933 0.266 1
1 448 . 3 1 1 S 47 47 ASP HA H 56 4.334 4.373 -0.039 1
1 451 . 3 1 1 S 47 47 ASP CB C 56 40.724 39.974 0.750 1
1 452 . 3 1 1 S 47 47 ASP N N 56 116.559 116.323 0.236 1
1 453 . 3 1 1 S 48 48 GLU H H 57 7.547 7.688 -0.141 1
1 454 . 3 1 1 S 48 48 GLU HA H 57 3.920 4.161 -0.241 1
1 458 . 3 1 1 S 48 48 GLU CA C 57 40.418 58.464 -18.046 1
1 459 . 3 1 1 S 48 48 GLU CB C 57 29.932 30.250 -0.318 1
1 461 . 3 1 1 S 48 48 GLU N N 57 120.721 119.657 1.064 1
1 462 . 3 1 1 S 49 49 TYR H H 58 8.535 7.917 0.618 1
1 463 . 3 1 1 S 49 49 TYR HA H 58 4.181 4.243 -0.062 1
1 468 . 3 1 1 S 49 49 TYR CA C 58 42.353 60.831 -18.478 1
1 469 . 3 1 1 S 49 49 TYR CB C 58 39.530 37.533 1.997 1
1 470 . 3 1 1 S 49 49 TYR N N 58 122.570 119.932 2.638 1
1 471 . 3 1 1 S 50 50 ASN H H 59 8.869 8.350 0.519 1
1 472 . 3 1 1 S 50 50 ASN HA H 59 4.293 4.481 -0.188 1
1 476 . 3 1 1 S 50 50 ASN CA C 59 35.728 56.089 -20.361 1
1 477 . 3 1 1 S 50 50 ASN CB C 59 38.117 38.375 -0.258 1
1 478 . 3 1 1 S 50 50 ASN N N 59 117.484 116.771 0.713 1
1 480 . 3 1 1 S 51 51 ALA H H 60 7.146 7.713 -0.567 1
1 481 . 3 1 1 S 51 51 ALA HA H 60 4.342 4.434 -0.092 1
1 485 . 3 1 1 S 51 51 ALA CA C 60 33.070 52.434 -19.364 1
1 486 . 3 1 1 S 51 51 ALA CB C 60 38.063 20.998 17.065 1
1 487 . 3 1 1 S 51 51 ALA N N 60 120.027 119.488 0.539 1
1 488 . 3 1 1 S 52 52 LEU H H 61 7.396 7.580 -0.184 1
1 489 . 3 1 1 S 52 52 LEU HA H 61 4.338 4.412 -0.074 1
1 499 . 3 1 1 S 52 52 LEU CA C 61 33.941 53.674 -19.733 1
1 500 . 3 1 1 S 52 52 LEU CB C 61 42.540 41.063 1.477 1
1 504 . 3 1 1 S 52 52 LEU N N 61 121.183 121.935 -0.752 1
1 505 . 3 1 1 S 53 53 PRO HA H 62 4.381 4.474 -0.093 1
1 512 . 3 1 1 S 53 53 PRO CA C 62 43.181 62.975 -19.794 1
1 513 . 3 1 1 S 53 53 PRO CB C 62 32.503 32.636 -0.133 1
1 516 . 3 1 1 S 54 54 ALA H H 63 8.847 8.641 0.206 1
1 517 . 3 1 1 S 54 54 ALA HA H 63 3.953 3.892 0.061 1
1 521 . 3 1 1 S 54 54 ALA CA C 63 36.779 54.255 -17.476 1
1 522 . 3 1 1 S 54 54 ALA CB C 63 36.769 18.593 18.176 1
1 523 . 3 1 1 S 54 54 ALA N N 63 126.270 125.783 0.487 1
1 524 . 3 1 1 S 55 55 TRP H H 64 7.875 7.965 -0.090 1
1 525 . 3 1 1 S 55 55 TRP HA H 64 4.378 4.449 -0.071 1
1 534 . 3 1 1 S 55 55 TRP CA C 64 39.808 59.959 -20.151 1
1 535 . 3 1 1 S 55 55 TRP CB C 64 45.794 29.254 16.540 1
1 536 . 3 1 1 S 55 55 TRP N N 64 113.553 119.515 -5.962 1
1 538 . 3 1 1 S 56 56 LYS H H 65 6.197 7.550 -1.353 1
1 539 . 3 1 1 S 56 56 LYS HA H 65 3.631 2.349 1.282 1
1 547 . 3 1 1 S 56 56 LYS CA C 65 39.976 58.921 -18.945 1
1 548 . 3 1 1 S 56 56 LYS CB C 65 32.615 31.624 0.991 1
1 551 . 3 1 1 S 56 56 LYS N N 65 122.802 121.719 1.083 1
1 552 . 3 1 1 S 57 57 GLN H H 66 7.521 7.719 -0.198 1
1 553 . 3 1 1 S 57 57 GLN HA H 66 3.585 3.140 0.445 1
1 560 . 3 1 1 S 57 57 GLN CA C 66 40.775 57.651 -16.876 1
1 561 . 3 1 1 S 57 57 GLN CB C 66 46.154 27.194 18.960 1
1 563 . 3 1 1 S 57 57 GLN N N 66 120.480 117.239 3.241 1
1 565 . 3 1 1 S 58 58 VAL H H 67 7.775 7.701 0.074 1
1 566 . 3 1 1 S 58 58 VAL HA H 67 3.197 3.395 -0.198 1
1 574 . 3 1 1 S 58 58 VAL CA C 67 29.564 66.124 -36.560 1
1 575 . 3 1 1 S 58 58 VAL CB C 67 31.723 31.805 -0.082 1
1 578 . 3 1 1 S 58 58 VAL N N 67 117.021 120.486 -3.465 1
1 579 . 3 1 1 S 59 59 ASN H H 68 7.497 9.262 -1.765 1
1 580 . 3 1 1 S 59 59 ASN HA H 68 4.310 4.548 -0.238 1
1 584 . 3 1 1 S 59 59 ASN CA C 68 37.310 56.585 -19.275 1
1 585 . 3 1 1 S 59 59 ASN CB C 68 37.866 38.687 -0.821 1
1 586 . 3 1 1 S 59 59 ASN N N 68 118.177 118.703 -0.526 1
1 588 . 3 1 1 S 60 60 LEU H H 69 8.144 7.705 0.439 1
1 589 . 3 1 1 S 60 60 LEU HA H 69 4.226 4.038 0.188 1
1 599 . 3 1 1 S 60 60 LEU CA C 69 39.078 57.792 -18.714 1
1 600 . 3 1 1 S 60 60 LEU CB C 69 42.244 41.321 0.923 1
1 603 . 3 1 1 S 60 60 LEU N N 69 122.570 120.070 2.500 1
1 604 . 3 1 1 S 61 61 LYS H H 70 8.190 8.072 0.118 1
1 605 . 3 1 1 S 61 61 LYS HA H 70 3.610 3.968 -0.358 1
1 611 . 3 1 1 S 61 61 LYS CA C 70 43.383 59.756 -16.373 1
1 612 . 3 1 1 S 61 61 LYS CB C 70 32.375 32.125 0.250 1
1 614 . 3 1 1 S 61 61 LYS N N 70 116.790 118.344 -1.554 1
1 615 . 3 1 1 S 62 62 LYS H H 71 8.863 8.180 0.683 1
1 616 . 3 1 1 S 62 62 LYS HA H 71 4.121 4.110 0.011 1
1 623 . 3 1 1 S 62 62 LYS CA C 71 41.331 59.231 -17.900 1
1 624 . 3 1 1 S 62 62 LYS CB C 71 32.973 32.383 0.590 1
1 628 . 3 1 1 S 62 62 LYS N N 71 119.102 119.008 0.094 1
1 629 . 3 1 1 S 63 63 ALA H H 72 7.734 7.342 0.392 1
1 630 . 3 1 1 S 63 63 ALA HA H 72 4.211 4.156 0.055 1
1 634 . 3 1 1 S 63 63 ALA CA C 72 35.710 54.412 -18.702 1
1 635 . 3 1 1 S 63 63 ALA CB C 72 37.243 18.412 18.831 1
1 636 . 3 1 1 S 63 63 ALA N N 72 121.414 121.597 -0.183 1
1 637 . 3 1 1 S 64 64 LYS H H 73 7.546 8.117 -0.571 1
1 638 . 3 1 1 S 64 64 LYS HA H 73 4.468 4.395 0.073 1
1 644 . 3 1 1 S 64 64 LYS CA C 73 34.628 56.223 -21.595 1
1 645 . 3 1 1 S 64 64 LYS CB C 73 32.588 33.608 -1.020 1
1 646 . 3 1 1 S 64 64 LYS N N 73 114.016 116.363 -2.347 1
1 647 . 3 1 1 S 65 65 GLY H H 74 7.508 9.058 -1.550 1
1 648 . 3 1 1 S 65 65 GLY HA2 H 74 4.260 4.137 0.123 1
1 649 . 3 1 1 S 65 65 GLY HA3 H 74 4.012 4.140 -0.128 1
1 650 . 3 1 1 S 65 65 GLY CA C 74 46.235 45.138 1.097 1
1 651 . 3 1 1 S 65 65 GLY N N 74 105.692 107.152 -1.460 1
1 652 . 3 1 1 S 66 66 LEU H H 75 8.400 7.892 0.508 1
1 653 . 3 1 1 S 66 66 LEU HA H 75 4.519 4.146 0.373 1
1 663 . 3 1 1 S 66 66 LEU CA C 75 34.331 58.373 -24.042 1
1 664 . 3 1 1 S 66 66 LEU CB C 75 42.886 41.695 1.191 1
1 668 . 3 1 1 S 66 66 LEU N N 75 120.952 122.234 -1.282 1
1 1 . 4 1 1 S 6 6 CYS HA H 15 4.540 5.140 -0.600 1
1 4 . 4 1 1 S 6 6 CYS CB C 15 28.556 30.615 -2.059 1
1 5 . 4 1 1 S 7 7 LYS HA H 16 4.376 4.785 -0.409 1
1 8 . 4 1 1 S 7 7 LYS CA C 16 37.775 55.608 -17.833 1
1 9 . 4 1 1 S 7 7 LYS CB C 16 33.150 33.111 0.039 1
1 10 . 4 1 1 S 8 8 THR H H 17 8.305 8.931 -0.626 1
1 11 . 4 1 1 S 8 8 THR HA H 17 4.320 4.853 -0.533 1
1 16 . 4 1 1 S 8 8 THR CA C 17 44.017 61.231 -17.214 1
1 17 . 4 1 1 S 8 8 THR CB C 17 31.886 72.577 -40.691 1
1 19 . 4 1 1 S 8 8 THR N N 17 115.400 118.483 -3.083 1
1 20 . 4 1 1 S 9 9 ILE H H 18 7.450 8.930 -1.480 1
1 21 . 4 1 1 S 9 9 ILE HA H 18 5.077 4.707 0.370 1
1 31 . 4 1 1 S 9 9 ILE CA C 18 38.964 60.509 -21.545 1
1 32 . 4 1 1 S 9 9 ILE CB C 18 40.553 38.392 2.161 1
1 36 . 4 1 1 S 9 9 ILE N N 18 122.802 126.403 -3.601 1
1 37 . 4 1 1 S 10 10 TYR H H 19 9.151 8.487 0.664 1
1 38 . 4 1 1 S 10 10 TYR HA H 19 4.927 4.886 0.041 1
1 43 . 4 1 1 S 10 10 TYR CB C 19 41.335 39.085 2.250 1
1 44 . 4 1 1 S 10 10 TYR N N 19 124.420 127.770 -3.350 1
1 45 . 4 1 1 S 11 11 PRO HA H 20 4.496 4.564 -0.068 1
1 52 . 4 1 1 S 11 11 PRO CA C 20 43.576 63.166 -19.590 1
1 53 . 4 1 1 S 11 11 PRO CB C 20 32.801 31.847 0.954 1
1 55 . 4 1 1 S 12 12 LEU H H 21 7.790 8.607 -0.817 1
1 56 . 4 1 1 S 12 12 LEU HA H 21 3.896 4.033 -0.137 1
1 66 . 4 1 1 S 12 12 LEU CA C 21 39.620 57.880 -18.260 1
1 67 . 4 1 1 S 12 12 LEU CB C 21 42.245 41.730 0.515 1
1 71 . 4 1 1 S 12 12 LEU N N 21 123.727 124.950 -1.223 1
1 72 . 4 1 1 S 13 13 ALA H H 22 8.995 8.350 0.645 1
1 73 . 4 1 1 S 13 13 ALA HA H 22 3.943 4.140 -0.197 1
1 77 . 4 1 1 S 13 13 ALA CA C 22 36.717 55.581 -18.864 1
1 78 . 4 1 1 S 13 13 ALA CB C 22 37.456 18.221 19.235 1
1 79 . 4 1 1 S 13 13 ALA N N 22 116.790 121.418 -4.628 1
1 80 . 4 1 1 S 14 14 ASP H H 23 7.393 8.030 -0.637 1
1 81 . 4 1 1 S 14 14 ASP HA H 23 4.387 4.412 -0.025 1
1 84 . 4 1 1 S 14 14 ASP CB C 23 40.902 40.333 0.569 1
1 85 . 4 1 1 S 14 14 ASP N N 23 115.403 119.619 -4.216 1
1 86 . 4 1 1 S 15 15 LEU H H 24 7.452 7.619 -0.167 1
1 87 . 4 1 1 S 15 15 LEU HA H 24 4.281 4.165 0.116 1
1 97 . 4 1 1 S 15 15 LEU CA C 24 35.761 57.266 -21.505 1
1 98 . 4 1 1 S 15 15 LEU CB C 24 41.179 41.840 -0.661 1
1 101 . 4 1 1 S 15 15 LEU N N 24 116.328 116.726 -0.398 1
1 102 . 4 1 1 S 16 16 LEU H H 25 7.396 8.035 -0.639 1
1 103 . 4 1 1 S 16 16 LEU HA H 25 4.350 4.163 0.187 1
1 112 . 4 1 1 S 16 16 LEU CA C 25 36.365 57.026 -20.661 1
1 113 . 4 1 1 S 16 16 LEU CB C 25 42.493 42.746 -0.253 1
1 116 . 4 1 1 S 16 16 LEU N N 25 116.790 120.772 -3.982 1
1 117 . 4 1 1 S 17 17 ALA H H 26 6.894 7.472 -0.578 1
1 118 . 4 1 1 S 17 17 ALA HA H 26 4.349 4.562 -0.213 1
1 122 . 4 1 1 S 17 17 ALA CB C 26 39.296 19.382 19.914 1
1 123 . 4 1 1 S 17 17 ALA N N 26 122.802 120.368 2.434 1
1 124 . 4 1 1 S 18 18 ARG H H 27 8.019 7.309 0.710 1
1 125 . 4 1 1 S 18 18 ARG HA H 27 4.429 4.909 -0.480 1
1 132 . 4 1 1 S 18 18 ARG CA C 27 32.436 53.842 -21.406 1
1 133 . 4 1 1 S 18 18 ARG CB C 27 31.405 33.400 -1.995 1
1 136 . 4 1 1 S 18 18 ARG N N 27 116.328 114.919 1.409 1
1 137 . 4 1 1 S 19 19 PRO HA H 28 4.483 4.493 -0.010 1
1 144 . 4 1 1 S 19 19 PRO CA C 28 43.719 62.550 -18.831 1
1 145 . 4 1 1 S 19 19 PRO CB C 28 35.007 30.054 4.953 1
1 148 . 4 1 1 S 20 20 LEU H H 29 8.634 8.476 0.158 1
1 149 . 4 1 1 S 20 20 LEU HA H 29 4.286 4.638 -0.352 1
1 159 . 4 1 1 S 20 20 LEU CA C 29 34.887 53.053 -18.166 1
1 160 . 4 1 1 S 20 20 LEU CB C 29 42.067 41.862 0.205 1
1 163 . 4 1 1 S 20 20 LEU N N 29 123.033 120.246 2.787 1
1 164 . 4 1 1 S 21 21 PRO HA H 30 4.273 4.608 -0.335 1
1 171 . 4 1 1 S 21 21 PRO CA C 30 43.649 62.316 -18.667 1
1 172 . 4 1 1 S 21 21 PRO CB C 30 31.638 33.302 -1.664 1
1 175 . 4 1 1 S 22 22 GLU H H 31 8.522 8.843 -0.321 1
1 176 . 4 1 1 S 22 22 GLU HA H 31 3.988 4.386 -0.398 1
1 180 . 4 1 1 S 22 22 GLU CA C 31 39.044 57.354 -18.310 1
1 181 . 4 1 1 S 22 22 GLU CB C 31 29.490 29.680 -0.190 1
1 183 . 4 1 1 S 22 22 GLU N N 31 123.264 120.457 2.807 1
1 184 . 4 1 1 S 23 23 GLY H H 32 8.783 8.482 0.301 1
1 185 . 4 1 1 S 23 23 GLY HA2 H 32 4.177 3.873 0.304 1
1 186 . 4 1 1 S 23 23 GLY HA3 H 32 3.697 3.936 -0.239 1
1 187 . 4 1 1 S 23 23 GLY CA C 32 45.506 47.135 -1.629 1
1 188 . 4 1 1 S 23 23 GLY N N 32 111.472 108.000 3.472 1
1 189 . 4 1 1 S 24 24 VAL H H 33 6.850 7.423 -0.573 1
1 190 . 4 1 1 S 24 24 VAL HA H 33 3.805 3.694 0.111 1
1 198 . 4 1 1 S 24 24 VAL CA C 33 42.632 61.157 -18.525 1
1 199 . 4 1 1 S 24 24 VAL CB C 33 32.321 32.445 -0.124 1
1 202 . 4 1 1 S 24 24 VAL N N 33 117.021 118.592 -1.571 1
1 203 . 4 1 1 S 25 25 ASP H H 34 8.276 8.709 -0.433 1
1 206 . 4 1 1 S 25 25 ASP CB C 34 41.766 42.114 -0.348 1
1 207 . 4 1 1 S 25 25 ASP N N 34 126.270 121.850 4.420 1
1 208 . 4 1 1 S 26 26 PRO HA H 35 4.082 4.432 -0.350 1
1 215 . 4 1 1 S 26 26 PRO CA C 35 44.876 65.758 -20.882 1
1 216 . 4 1 1 S 26 26 PRO CB C 35 32.282 31.990 0.292 1
1 219 . 4 1 1 S 27 27 LEU H H 36 8.583 8.428 0.155 1
1 220 . 4 1 1 S 27 27 LEU HA H 36 4.361 4.235 0.126 1
1 230 . 4 1 1 S 27 27 LEU CA C 36 36.955 55.908 -18.953 1
1 231 . 4 1 1 S 27 27 LEU CB C 36 41.466 41.422 0.044 1
1 235 . 4 1 1 S 27 27 LEU N N 36 118.640 114.767 3.873 1
1 236 . 4 1 1 S 28 28 LYS H H 37 7.838 8.349 -0.511 1
1 237 . 4 1 1 S 28 28 LYS HA H 37 5.037 5.010 0.027 1
1 243 . 4 1 1 S 28 28 LYS CA C 37 35.415 55.530 -20.115 1
1 244 . 4 1 1 S 28 28 LYS CB C 37 33.967 33.801 0.166 1
1 247 . 4 1 1 S 28 28 LYS N N 37 120.258 116.612 3.646 1
1 248 . 4 1 1 S 29 29 LEU H H 38 8.203 8.151 0.052 1
1 249 . 4 1 1 S 29 29 LEU HA H 38 4.266 3.664 0.602 1
1 259 . 4 1 1 S 29 29 LEU CA C 38 39.317 57.161 -17.844 1
1 262 . 4 1 1 S 29 29 LEU N N 38 117.021 124.477 -7.456 1
1 263 . 4 1 1 S 30 30 GLU H H 39 10.041 7.713 2.328 1
1 264 . 4 1 1 S 30 30 GLU HA H 39 4.086 3.545 0.541 1
1 269 . 4 1 1 S 30 30 GLU CA C 39 39.629 58.555 -18.926 1
1 270 . 4 1 1 S 30 30 GLU CB C 39 45.835 28.734 17.101 1
1 272 . 4 1 1 S 30 30 GLU N N 39 114.478 116.339 -1.861 1
1 273 . 4 1 1 S 31 31 ILE H H 40 7.920 7.533 0.387 1
1 274 . 4 1 1 S 31 31 ILE HA H 40 4.266 3.812 0.454 1
1 284 . 4 1 1 S 31 31 ILE CA C 40 44.411 63.941 -19.530 1
1 285 . 4 1 1 S 31 31 ILE CB C 40 37.472 37.304 0.168 1
1 289 . 4 1 1 S 31 31 ILE N N 40 116.790 116.787 0.003 1
1 290 . 4 1 1 S 32 32 TYR H H 41 7.426 7.623 -0.197 1
1 291 . 4 1 1 S 32 32 TYR HA H 41 4.928 4.585 0.343 1
1 296 . 4 1 1 S 32 32 TYR CB C 41 39.324 38.963 0.361 1
1 297 . 4 1 1 S 32 32 TYR N N 41 119.565 118.037 1.528 1
1 298 . 4 1 1 S 33 33 LEU H H 42 6.749 7.100 -0.351 1
1 299 . 4 1 1 S 33 33 LEU HA H 42 5.266 4.779 0.487 1
1 309 . 4 1 1 S 33 33 LEU CA C 42 33.953 53.219 -19.266 1
1 310 . 4 1 1 S 33 33 LEU CB C 42 45.122 44.413 0.709 1
1 314 . 4 1 1 S 33 33 LEU N N 42 114.709 116.960 -2.251 1
1 315 . 4 1 1 S 34 34 THR H H 43 9.549 8.625 0.924 1
1 316 . 4 1 1 S 34 34 THR HA H 43 4.319 4.552 -0.233 1
1 322 . 4 1 1 S 34 34 THR CA C 43 42.615 61.917 -19.302 1
1 323 . 4 1 1 S 34 34 THR CB C 43 34.267 69.837 -35.570 1
1 325 . 4 1 1 S 34 34 THR N N 43 115.172 118.326 -3.154 1
1 326 . 4 1 1 S 35 35 ASP H H 44 9.173 9.177 -0.004 1
1 327 . 4 1 1 S 35 35 ASP HA H 44 4.361 4.484 -0.123 1
1 330 . 4 1 1 S 35 35 ASP CA C 44 39.549 57.130 -17.581 1
1 331 . 4 1 1 S 35 35 ASP CB C 44 39.585 39.912 -0.327 1
1 332 . 4 1 1 S 35 35 ASP N N 44 122.339 123.791 -1.452 1
1 333 . 4 1 1 S 36 36 GLU H H 45 8.781 8.103 0.678 1
1 334 . 4 1 1 S 36 36 GLU HA H 45 4.119 4.116 0.003 1
1 339 . 4 1 1 S 36 36 GLU CA C 45 41.388 59.056 -17.668 1
1 340 . 4 1 1 S 36 36 GLU CB C 45 29.301 29.332 -0.031 1
1 342 . 4 1 1 S 36 36 GLU N N 45 118.640 120.169 -1.529 1
1 343 . 4 1 1 S 37 37 ASP H H 46 7.864 8.076 -0.212 1
1 344 . 4 1 1 S 37 37 ASP HA H 46 4.726 4.444 0.282 1
1 347 . 4 1 1 S 37 37 ASP CA C 46 38.055 57.068 -19.013 1
1 348 . 4 1 1 S 37 37 ASP CB C 46 41.567 40.952 0.615 1
1 349 . 4 1 1 S 37 37 ASP N N 46 121.646 120.785 0.861 1
1 350 . 4 1 1 S 38 38 PHE H H 47 9.196 8.816 0.380 1
1 351 . 4 1 1 S 38 38 PHE HA H 47 3.753 4.029 -0.276 1
1 357 . 4 1 1 S 38 38 PHE CA C 47 43.221 61.597 -18.376 1
1 358 . 4 1 1 S 38 38 PHE CB C 47 40.280 38.656 1.624 1
1 359 . 4 1 1 S 38 38 PHE N N 47 122.802 119.441 3.361 1
1 360 . 4 1 1 S 39 39 GLU H H 48 8.496 9.600 -1.104 1
1 361 . 4 1 1 S 39 39 GLU HA H 48 4.413 4.031 0.382 1
1 365 . 4 1 1 S 39 39 GLU CA C 48 40.140 59.582 -19.442 1
1 366 . 4 1 1 S 39 39 GLU CB C 48 29.498 29.433 0.065 1
1 368 . 4 1 1 S 39 39 GLU N N 48 118.177 117.531 0.646 1
1 369 . 4 1 1 S 40 40 PHE H H 49 7.898 7.924 -0.026 1
1 370 . 4 1 1 S 40 40 PHE HA H 49 4.320 4.298 0.022 1
1 376 . 4 1 1 S 40 40 PHE CA C 49 41.713 60.663 -18.950 1
1 377 . 4 1 1 S 40 40 PHE CB C 49 39.847 39.174 0.673 1
1 378 . 4 1 1 S 40 40 PHE N N 49 119.565 119.663 -0.098 1
1 379 . 4 1 1 S 41 41 ALA H H 50 8.637 7.680 0.957 1
1 380 . 4 1 1 S 41 41 ALA HA H 50 3.947 4.425 -0.478 1
1 384 . 4 1 1 S 41 41 ALA CA C 50 35.451 53.598 -18.147 1
1 385 . 4 1 1 S 41 41 ALA CB C 50 39.091 19.851 19.240 1
1 386 . 4 1 1 S 41 41 ALA N N 50 119.565 122.082 -2.517 1
1 387 . 4 1 1 S 42 42 LEU H H 51 8.275 8.261 0.014 1
1 388 . 4 1 1 S 42 42 LEU HA H 51 4.142 4.515 -0.373 1
1 397 . 4 1 1 S 42 42 LEU CA C 51 35.946 54.423 -18.477 1
1 398 . 4 1 1 S 42 42 LEU CB C 51 41.238 43.270 -2.032 1
1 402 . 4 1 1 S 42 42 LEU N N 51 113.553 115.233 -1.680 1
1 403 . 4 1 1 S 43 43 ASP H H 52 7.841 8.310 -0.469 1
1 404 . 4 1 1 S 43 43 ASP HA H 52 4.483 4.664 -0.181 1
1 407 . 4 1 1 S 43 43 ASP CA C 52 36.572 55.391 -18.819 1
1 408 . 4 1 1 S 43 43 ASP CB C 52 39.869 39.405 0.464 1
1 409 . 4 1 1 S 43 43 ASP N N 52 115.865 117.247 -1.382 1
1 410 . 4 1 1 S 44 44 MET H H 53 7.424 7.144 0.280 1
1 411 . 4 1 1 S 44 44 MET HA H 53 4.753 4.588 0.165 1
1 419 . 4 1 1 S 44 44 MET CA C 53 36.030 52.751 -16.721 1
1 420 . 4 1 1 S 44 44 MET CB C 53 34.947 33.973 0.974 1
1 422 . 4 1 1 S 44 44 MET N N 53 111.703 116.619 -4.916 1
1 423 . 4 1 1 S 45 45 THR H H 54 8.372 7.703 0.669 1
1 424 . 4 1 1 S 45 45 THR HA H 54 4.526 4.343 0.183 1
1 429 . 4 1 1 S 45 45 THR CA C 54 41.951 58.690 -16.739 1
1 430 . 4 1 1 S 45 45 THR CB C 54 33.933 71.556 -37.623 1
1 432 . 4 1 1 S 45 45 THR N N 54 107.079 111.170 -4.091 1
1 433 . 4 1 1 S 46 46 ARG H H 55 8.999 8.511 0.488 1
1 434 . 4 1 1 S 46 46 ARG HA H 55 3.469 3.880 -0.411 1
1 441 . 4 1 1 S 46 46 ARG CA C 55 41.154 59.157 -18.003 1
1 442 . 4 1 1 S 46 46 ARG CB C 55 29.806 29.946 -0.140 1
1 445 . 4 1 1 S 46 46 ARG N N 55 122.570 122.064 0.506 1
1 447 . 4 1 1 S 47 47 ASP H H 56 8.199 7.999 0.200 1
1 448 . 4 1 1 S 47 47 ASP HA H 56 4.334 4.446 -0.112 1
1 451 . 4 1 1 S 47 47 ASP CB C 56 40.724 41.031 -0.307 1
1 452 . 4 1 1 S 47 47 ASP N N 56 116.559 117.560 -1.001 1
1 453 . 4 1 1 S 48 48 GLU H H 57 7.547 7.604 -0.057 1
1 454 . 4 1 1 S 48 48 GLU HA H 57 3.920 4.130 -0.210 1
1 458 . 4 1 1 S 48 48 GLU CA C 57 40.418 58.510 -18.092 1
1 459 . 4 1 1 S 48 48 GLU CB C 57 29.932 30.214 -0.282 1
1 461 . 4 1 1 S 48 48 GLU N N 57 120.721 119.455 1.266 1
1 462 . 4 1 1 S 49 49 TYR H H 58 8.535 8.031 0.504 1
1 463 . 4 1 1 S 49 49 TYR HA H 58 4.181 4.203 -0.022 1
1 468 . 4 1 1 S 49 49 TYR CA C 58 42.353 61.121 -18.768 1
1 469 . 4 1 1 S 49 49 TYR CB C 58 39.530 37.479 2.051 1
1 470 . 4 1 1 S 49 49 TYR N N 58 122.570 119.881 2.689 1
1 471 . 4 1 1 S 50 50 ASN H H 59 8.869 8.403 0.466 1
1 472 . 4 1 1 S 50 50 ASN HA H 59 4.293 4.480 -0.187 1
1 476 . 4 1 1 S 50 50 ASN CA C 59 35.728 56.001 -20.273 1
1 477 . 4 1 1 S 50 50 ASN CB C 59 38.117 38.365 -0.248 1
1 478 . 4 1 1 S 50 50 ASN N N 59 117.484 117.091 0.393 1
1 480 . 4 1 1 S 51 51 ALA H H 60 7.146 7.709 -0.563 1
1 481 . 4 1 1 S 51 51 ALA HA H 60 4.342 4.490 -0.148 1
1 485 . 4 1 1 S 51 51 ALA CA C 60 33.070 52.482 -19.412 1
1 486 . 4 1 1 S 51 51 ALA CB C 60 38.063 20.899 17.164 1
1 487 . 4 1 1 S 51 51 ALA N N 60 120.027 120.491 -0.464 1
1 488 . 4 1 1 S 52 52 LEU H H 61 7.396 7.727 -0.331 1
1 489 . 4 1 1 S 52 52 LEU HA H 61 4.338 4.443 -0.105 1
1 499 . 4 1 1 S 52 52 LEU CA C 61 33.941 53.756 -19.815 1
1 500 . 4 1 1 S 52 52 LEU CB C 61 42.540 41.014 1.526 1
1 504 . 4 1 1 S 52 52 LEU N N 61 121.183 121.693 -0.510 1
1 505 . 4 1 1 S 53 53 PRO HA H 62 4.381 4.535 -0.154 1
1 512 . 4 1 1 S 53 53 PRO CA C 62 43.181 62.784 -19.603 1
1 513 . 4 1 1 S 53 53 PRO CB C 62 32.503 32.504 -0.001 1
1 516 . 4 1 1 S 54 54 ALA H H 63 8.847 8.543 0.304 1
1 517 . 4 1 1 S 54 54 ALA HA H 63 3.953 4.036 -0.083 1
1 521 . 4 1 1 S 54 54 ALA CA C 63 36.779 53.726 -16.947 1
1 522 . 4 1 1 S 54 54 ALA CB C 63 36.769 18.944 17.825 1
1 523 . 4 1 1 S 54 54 ALA N N 63 126.270 125.305 0.965 1
1 524 . 4 1 1 S 55 55 TRP H H 64 7.875 7.937 -0.062 1
1 525 . 4 1 1 S 55 55 TRP HA H 64 4.378 4.419 -0.041 1
1 534 . 4 1 1 S 55 55 TRP CA C 64 39.808 60.079 -20.271 1
1 535 . 4 1 1 S 55 55 TRP CB C 64 45.794 29.109 16.685 1
1 536 . 4 1 1 S 55 55 TRP N N 64 113.553 119.880 -6.327 1
1 538 . 4 1 1 S 56 56 LYS H H 65 6.197 7.696 -1.499 1
1 539 . 4 1 1 S 56 56 LYS HA H 65 3.631 2.406 1.225 1
1 547 . 4 1 1 S 56 56 LYS CA C 65 39.976 58.882 -18.906 1
1 548 . 4 1 1 S 56 56 LYS CB C 65 32.615 31.853 0.762 1
1 551 . 4 1 1 S 56 56 LYS N N 65 122.802 121.379 1.423 1
1 552 . 4 1 1 S 57 57 GLN H H 66 7.521 7.507 0.014 1
1 553 . 4 1 1 S 57 57 GLN HA H 66 3.585 3.460 0.125 1
1 560 . 4 1 1 S 57 57 GLN CA C 66 40.775 57.825 -17.050 1
1 561 . 4 1 1 S 57 57 GLN CB C 66 46.154 27.512 18.642 1
1 563 . 4 1 1 S 57 57 GLN N N 66 120.480 117.607 2.873 1
1 565 . 4 1 1 S 58 58 VAL H H 67 7.775 7.755 0.020 1
1 566 . 4 1 1 S 58 58 VAL HA H 67 3.197 3.735 -0.538 1
1 574 . 4 1 1 S 58 58 VAL CA C 67 29.564 66.233 -36.669 1
1 575 . 4 1 1 S 58 58 VAL CB C 67 31.723 31.840 -0.117 1
1 578 . 4 1 1 S 58 58 VAL N N 67 117.021 120.493 -3.472 1
1 579 . 4 1 1 S 59 59 ASN H H 68 7.497 9.282 -1.785 1
1 580 . 4 1 1 S 59 59 ASN HA H 68 4.310 4.516 -0.206 1
1 584 . 4 1 1 S 59 59 ASN CA C 68 37.310 56.192 -18.882 1
1 585 . 4 1 1 S 59 59 ASN CB C 68 37.866 39.112 -1.246 1
1 586 . 4 1 1 S 59 59 ASN N N 68 118.177 118.662 -0.485 1
1 588 . 4 1 1 S 60 60 LEU H H 69 8.144 7.607 0.537 1
1 589 . 4 1 1 S 60 60 LEU HA H 69 4.226 4.147 0.079 1
1 599 . 4 1 1 S 60 60 LEU CA C 69 39.078 57.700 -18.622 1
1 600 . 4 1 1 S 60 60 LEU CB C 69 42.244 41.769 0.475 1
1 603 . 4 1 1 S 60 60 LEU N N 69 122.570 119.917 2.653 1
1 604 . 4 1 1 S 61 61 LYS H H 70 8.190 7.892 0.298 1
1 605 . 4 1 1 S 61 61 LYS HA H 70 3.610 3.852 -0.242 1
1 611 . 4 1 1 S 61 61 LYS CA C 70 43.383 60.357 -16.974 1
1 612 . 4 1 1 S 61 61 LYS CB C 70 32.375 32.292 0.083 1
1 614 . 4 1 1 S 61 61 LYS N N 70 116.790 116.737 0.053 1
1 615 . 4 1 1 S 62 62 LYS H H 71 8.863 8.252 0.611 1
1 616 . 4 1 1 S 62 62 LYS HA H 71 4.121 4.202 -0.081 1
1 623 . 4 1 1 S 62 62 LYS CA C 71 41.331 59.429 -18.098 1
1 624 . 4 1 1 S 62 62 LYS CB C 71 32.973 32.200 0.773 1
1 628 . 4 1 1 S 62 62 LYS N N 71 119.102 119.456 -0.354 1
1 629 . 4 1 1 S 63 63 ALA H H 72 7.734 7.897 -0.163 1
1 630 . 4 1 1 S 63 63 ALA HA H 72 4.211 4.188 0.023 1
1 634 . 4 1 1 S 63 63 ALA CA C 72 35.710 54.708 -18.998 1
1 635 . 4 1 1 S 63 63 ALA CB C 72 37.243 18.422 18.821 1
1 636 . 4 1 1 S 63 63 ALA N N 72 121.414 122.424 -1.010 1
1 637 . 4 1 1 S 64 64 LYS H H 73 7.546 8.468 -0.922 1
1 638 . 4 1 1 S 64 64 LYS HA H 73 4.468 4.397 0.071 1
1 644 . 4 1 1 S 64 64 LYS CA C 73 34.628 56.862 -22.234 1
1 645 . 4 1 1 S 64 64 LYS CB C 73 32.588 33.338 -0.750 1
1 646 . 4 1 1 S 64 64 LYS N N 73 114.016 116.586 -2.570 1
1 647 . 4 1 1 S 65 65 GLY H H 74 7.508 8.458 -0.950 1
1 648 . 4 1 1 S 65 65 GLY HA2 H 74 4.260 4.060 0.200 1
1 649 . 4 1 1 S 65 65 GLY HA3 H 74 4.012 4.077 -0.065 1
1 650 . 4 1 1 S 65 65 GLY CA C 74 46.235 45.246 0.989 1
1 651 . 4 1 1 S 65 65 GLY N N 74 105.692 107.763 -2.071 1
1 652 . 4 1 1 S 66 66 LEU H H 75 8.400 7.880 0.520 1
1 653 . 4 1 1 S 66 66 LEU HA H 75 4.519 3.976 0.543 1
1 663 . 4 1 1 S 66 66 LEU CA C 75 34.331 58.462 -24.131 1
1 664 . 4 1 1 S 66 66 LEU CB C 75 42.886 41.727 1.159 1
1 668 . 4 1 1 S 66 66 LEU N N 75 120.952 122.787 -1.835 1
1 1 . 5 1 1 S 6 6 CYS HA H 15 4.540 5.137 -0.597 1
1 4 . 5 1 1 S 6 6 CYS CB C 15 28.556 30.130 -1.574 1
1 5 . 5 1 1 S 7 7 LYS HA H 16 4.376 5.101 -0.725 1
1 8 . 5 1 1 S 7 7 LYS CA C 16 37.775 54.653 -16.878 1
1 9 . 5 1 1 S 7 7 LYS CB C 16 33.150 34.337 -1.187 1
1 10 . 5 1 1 S 8 8 THR H H 17 8.305 8.904 -0.599 1
1 11 . 5 1 1 S 8 8 THR HA H 17 4.320 5.206 -0.886 1
1 16 . 5 1 1 S 8 8 THR CA C 17 44.017 60.213 -16.196 1
1 17 . 5 1 1 S 8 8 THR CB C 17 31.886 71.559 -39.673 1
1 19 . 5 1 1 S 8 8 THR N N 17 115.400 117.676 -2.276 1
1 20 . 5 1 1 S 9 9 ILE H H 18 7.450 8.794 -1.344 1
1 21 . 5 1 1 S 9 9 ILE HA H 18 5.077 4.710 0.367 1
1 31 . 5 1 1 S 9 9 ILE CA C 18 38.964 60.385 -21.421 1
1 32 . 5 1 1 S 9 9 ILE CB C 18 40.553 38.692 1.861 1
1 36 . 5 1 1 S 9 9 ILE N N 18 122.802 126.977 -4.175 1
1 37 . 5 1 1 S 10 10 TYR H H 19 9.151 8.512 0.639 1
1 38 . 5 1 1 S 10 10 TYR HA H 19 4.927 4.915 0.012 1
1 43 . 5 1 1 S 10 10 TYR CB C 19 41.335 39.319 2.016 1
1 44 . 5 1 1 S 10 10 TYR N N 19 124.420 125.922 -1.502 1
1 45 . 5 1 1 S 11 11 PRO HA H 20 4.496 4.568 -0.072 1
1 52 . 5 1 1 S 11 11 PRO CA C 20 43.576 63.132 -19.556 1
1 53 . 5 1 1 S 11 11 PRO CB C 20 32.801 31.800 1.001 1
1 55 . 5 1 1 S 12 12 LEU H H 21 7.790 8.400 -0.610 1
1 56 . 5 1 1 S 12 12 LEU HA H 21 3.896 4.026 -0.130 1
1 66 . 5 1 1 S 12 12 LEU CA C 21 39.620 57.852 -18.232 1
1 67 . 5 1 1 S 12 12 LEU CB C 21 42.245 41.674 0.571 1
1 71 . 5 1 1 S 12 12 LEU N N 21 123.727 124.967 -1.240 1
1 72 . 5 1 1 S 13 13 ALA H H 22 8.995 8.471 0.524 1
1 73 . 5 1 1 S 13 13 ALA HA H 22 3.943 4.006 -0.063 1
1 77 . 5 1 1 S 13 13 ALA CA C 22 36.717 55.311 -18.594 1
1 78 . 5 1 1 S 13 13 ALA CB C 22 37.456 18.059 19.397 1
1 79 . 5 1 1 S 13 13 ALA N N 22 116.790 121.574 -4.784 1
1 80 . 5 1 1 S 14 14 ASP H H 23 7.393 8.278 -0.885 1
1 81 . 5 1 1 S 14 14 ASP HA H 23 4.387 4.414 -0.027 1
1 84 . 5 1 1 S 14 14 ASP CB C 23 40.902 40.526 0.376 1
1 85 . 5 1 1 S 14 14 ASP N N 23 115.403 119.695 -4.292 1
1 86 . 5 1 1 S 15 15 LEU H H 24 7.452 7.630 -0.178 1
1 87 . 5 1 1 S 15 15 LEU HA H 24 4.281 4.369 -0.088 1
1 97 . 5 1 1 S 15 15 LEU CA C 24 35.761 56.475 -20.714 1
1 98 . 5 1 1 S 15 15 LEU CB C 24 41.179 42.228 -1.049 1
1 101 . 5 1 1 S 15 15 LEU N N 24 116.328 114.440 1.888 1
1 102 . 5 1 1 S 16 16 LEU H H 25 7.396 7.724 -0.328 1
1 103 . 5 1 1 S 16 16 LEU HA H 25 4.350 4.714 -0.364 1
1 112 . 5 1 1 S 16 16 LEU CA C 25 36.365 54.047 -17.682 1
1 113 . 5 1 1 S 16 16 LEU CB C 25 42.493 42.407 0.086 1
1 116 . 5 1 1 S 16 16 LEU N N 25 116.790 117.326 -0.536 1
1 117 . 5 1 1 S 17 17 ALA H H 26 6.894 7.790 -0.896 1
1 118 . 5 1 1 S 17 17 ALA HA H 26 4.349 4.503 -0.154 1
1 122 . 5 1 1 S 17 17 ALA CB C 26 39.296 20.090 19.206 1
1 123 . 5 1 1 S 17 17 ALA N N 26 122.802 120.102 2.700 1
1 124 . 5 1 1 S 18 18 ARG H H 27 8.019 7.138 0.881 1
1 125 . 5 1 1 S 18 18 ARG HA H 27 4.429 4.926 -0.497 1
1 132 . 5 1 1 S 18 18 ARG CA C 27 32.436 53.988 -21.552 1
1 133 . 5 1 1 S 18 18 ARG CB C 27 31.405 33.080 -1.675 1
1 136 . 5 1 1 S 18 18 ARG N N 27 116.328 115.743 0.585 1
1 137 . 5 1 1 S 19 19 PRO HA H 28 4.483 4.533 -0.050 1
1 144 . 5 1 1 S 19 19 PRO CA C 28 43.719 62.279 -18.560 1
1 145 . 5 1 1 S 19 19 PRO CB C 28 35.007 29.404 5.603 1
1 148 . 5 1 1 S 20 20 LEU H H 29 8.634 8.444 0.190 1
1 149 . 5 1 1 S 20 20 LEU HA H 29 4.286 4.630 -0.344 1
1 159 . 5 1 1 S 20 20 LEU CA C 29 34.887 53.104 -18.217 1
1 160 . 5 1 1 S 20 20 LEU CB C 29 42.067 41.875 0.192 1
1 163 . 5 1 1 S 20 20 LEU N N 29 123.033 119.574 3.459 1
1 164 . 5 1 1 S 21 21 PRO HA H 30 4.273 4.619 -0.346 1
1 171 . 5 1 1 S 21 21 PRO CA C 30 43.649 62.352 -18.703 1
1 172 . 5 1 1 S 21 21 PRO CB C 30 31.638 33.358 -1.720 1
1 175 . 5 1 1 S 22 22 GLU H H 31 8.522 8.790 -0.268 1
1 176 . 5 1 1 S 22 22 GLU HA H 31 3.988 4.302 -0.314 1
1 180 . 5 1 1 S 22 22 GLU CA C 31 39.044 57.514 -18.470 1
1 181 . 5 1 1 S 22 22 GLU CB C 31 29.490 29.925 -0.435 1
1 183 . 5 1 1 S 22 22 GLU N N 31 123.264 120.419 2.845 1
1 184 . 5 1 1 S 23 23 GLY H H 32 8.783 8.351 0.432 1
1 185 . 5 1 1 S 23 23 GLY HA2 H 32 4.177 3.862 0.315 1
1 186 . 5 1 1 S 23 23 GLY HA3 H 32 3.697 3.908 -0.211 1
1 187 . 5 1 1 S 23 23 GLY CA C 32 45.506 46.888 -1.382 1
1 188 . 5 1 1 S 23 23 GLY N N 32 111.472 107.460 4.012 1
1 189 . 5 1 1 S 24 24 VAL H H 33 6.850 7.406 -0.556 1
1 190 . 5 1 1 S 24 24 VAL HA H 33 3.805 2.821 0.984 1
1 198 . 5 1 1 S 24 24 VAL CA C 33 42.632 60.746 -18.114 1
1 199 . 5 1 1 S 24 24 VAL CB C 33 32.321 32.010 0.311 1
1 202 . 5 1 1 S 24 24 VAL N N 33 117.021 118.058 -1.037 1
1 203 . 5 1 1 S 25 25 ASP H H 34 8.276 9.034 -0.758 1
1 206 . 5 1 1 S 25 25 ASP CB C 34 41.766 41.384 0.382 1
1 207 . 5 1 1 S 25 25 ASP N N 34 126.270 126.084 0.186 1
1 208 . 5 1 1 S 26 26 PRO HA H 35 4.082 4.320 -0.238 1
1 215 . 5 1 1 S 26 26 PRO CA C 35 44.876 65.595 -20.719 1
1 216 . 5 1 1 S 26 26 PRO CB C 35 32.282 31.853 0.429 1
1 219 . 5 1 1 S 27 27 LEU H H 36 8.583 8.092 0.491 1
1 220 . 5 1 1 S 27 27 LEU HA H 36 4.361 3.924 0.437 1
1 230 . 5 1 1 S 27 27 LEU CA C 36 36.955 55.653 -18.698 1
1 231 . 5 1 1 S 27 27 LEU CB C 36 41.466 41.294 0.172 1
1 235 . 5 1 1 S 27 27 LEU N N 36 118.640 114.456 4.184 1
1 236 . 5 1 1 S 28 28 LYS H H 37 7.838 7.944 -0.106 1
1 237 . 5 1 1 S 28 28 LYS HA H 37 5.037 4.522 0.515 1
1 243 . 5 1 1 S 28 28 LYS CA C 37 35.415 55.116 -19.701 1
1 244 . 5 1 1 S 28 28 LYS CB C 37 33.967 33.361 0.606 1
1 247 . 5 1 1 S 28 28 LYS N N 37 120.258 117.062 3.196 1
1 248 . 5 1 1 S 29 29 LEU H H 38 8.203 8.587 -0.384 1
1 249 . 5 1 1 S 29 29 LEU HA H 38 4.266 3.641 0.625 1
1 259 . 5 1 1 S 29 29 LEU CA C 38 39.317 56.953 -17.636 1
1 262 . 5 1 1 S 29 29 LEU N N 38 117.021 125.398 -8.377 1
1 263 . 5 1 1 S 30 30 GLU H H 39 10.041 8.481 1.560 1
1 264 . 5 1 1 S 30 30 GLU HA H 39 4.086 3.629 0.457 1
1 269 . 5 1 1 S 30 30 GLU CA C 39 39.629 58.461 -18.832 1
1 270 . 5 1 1 S 30 30 GLU CB C 39 45.835 28.491 17.344 1
1 272 . 5 1 1 S 30 30 GLU N N 39 114.478 117.304 -2.826 1
1 273 . 5 1 1 S 31 31 ILE H H 40 7.920 7.630 0.290 1
1 274 . 5 1 1 S 31 31 ILE HA H 40 4.266 3.979 0.287 1
1 284 . 5 1 1 S 31 31 ILE CA C 40 44.411 64.270 -19.859 1
1 285 . 5 1 1 S 31 31 ILE CB C 40 37.472 37.411 0.061 1
1 289 . 5 1 1 S 31 31 ILE N N 40 116.790 117.322 -0.532 1
1 290 . 5 1 1 S 32 32 TYR H H 41 7.426 7.402 0.024 1
1 291 . 5 1 1 S 32 32 TYR HA H 41 4.928 4.651 0.277 1
1 296 . 5 1 1 S 32 32 TYR CB C 41 39.324 38.797 0.527 1
1 297 . 5 1 1 S 32 32 TYR N N 41 119.565 118.290 1.275 1
1 298 . 5 1 1 S 33 33 LEU H H 42 6.749 7.467 -0.718 1
1 299 . 5 1 1 S 33 33 LEU HA H 42 5.266 4.919 0.347 1
1 309 . 5 1 1 S 33 33 LEU CA C 42 33.953 53.255 -19.302 1
1 310 . 5 1 1 S 33 33 LEU CB C 42 45.122 44.593 0.529 1
1 314 . 5 1 1 S 33 33 LEU N N 42 114.709 117.109 -2.400 1
1 315 . 5 1 1 S 34 34 THR H H 43 9.549 8.864 0.685 1
1 316 . 5 1 1 S 34 34 THR HA H 43 4.319 4.670 -0.351 1
1 322 . 5 1 1 S 34 34 THR CA C 43 42.615 61.014 -18.399 1
1 323 . 5 1 1 S 34 34 THR CB C 43 34.267 71.065 -36.798 1
1 325 . 5 1 1 S 34 34 THR N N 43 115.172 113.690 1.482 1
1 326 . 5 1 1 S 35 35 ASP H H 44 9.173 9.225 -0.052 1
1 327 . 5 1 1 S 35 35 ASP HA H 44 4.361 4.426 -0.065 1
1 330 . 5 1 1 S 35 35 ASP CA C 44 39.549 56.984 -17.435 1
1 331 . 5 1 1 S 35 35 ASP CB C 44 39.585 39.697 -0.112 1
1 332 . 5 1 1 S 35 35 ASP N N 44 122.339 121.084 1.255 1
1 333 . 5 1 1 S 36 36 GLU H H 45 8.781 8.239 0.542 1
1 334 . 5 1 1 S 36 36 GLU HA H 45 4.119 4.134 -0.015 1
1 339 . 5 1 1 S 36 36 GLU CA C 45 41.388 59.081 -17.693 1
1 340 . 5 1 1 S 36 36 GLU CB C 45 29.301 29.507 -0.206 1
1 342 . 5 1 1 S 36 36 GLU N N 45 118.640 120.400 -1.760 1
1 343 . 5 1 1 S 37 37 ASP H H 46 7.864 8.040 -0.176 1
1 344 . 5 1 1 S 37 37 ASP HA H 46 4.726 4.489 0.237 1
1 347 . 5 1 1 S 37 37 ASP CA C 46 38.055 57.272 -19.217 1
1 348 . 5 1 1 S 37 37 ASP CB C 46 41.567 40.846 0.721 1
1 349 . 5 1 1 S 37 37 ASP N N 46 121.646 120.584 1.062 1
1 350 . 5 1 1 S 38 38 PHE H H 47 9.196 9.487 -0.291 1
1 351 . 5 1 1 S 38 38 PHE HA H 47 3.753 4.161 -0.408 1
1 357 . 5 1 1 S 38 38 PHE CA C 47 43.221 61.419 -18.198 1
1 358 . 5 1 1 S 38 38 PHE CB C 47 40.280 39.009 1.271 1
1 359 . 5 1 1 S 38 38 PHE N N 47 122.802 119.529 3.273 1
1 360 . 5 1 1 S 39 39 GLU H H 48 8.496 9.365 -0.869 1
1 361 . 5 1 1 S 39 39 GLU HA H 48 4.413 3.925 0.488 1
1 365 . 5 1 1 S 39 39 GLU CA C 48 40.140 59.560 -19.420 1
1 366 . 5 1 1 S 39 39 GLU CB C 48 29.498 29.291 0.207 1
1 368 . 5 1 1 S 39 39 GLU N N 48 118.177 117.433 0.744 1
1 369 . 5 1 1 S 40 40 PHE H H 49 7.898 7.751 0.147 1
1 370 . 5 1 1 S 40 40 PHE HA H 49 4.320 4.374 -0.054 1
1 376 . 5 1 1 S 40 40 PHE CA C 49 41.713 59.915 -18.202 1
1 377 . 5 1 1 S 40 40 PHE CB C 49 39.847 39.551 0.296 1
1 378 . 5 1 1 S 40 40 PHE N N 49 119.565 119.121 0.444 1
1 379 . 5 1 1 S 41 41 ALA H H 50 8.637 7.953 0.684 1
1 380 . 5 1 1 S 41 41 ALA HA H 50 3.947 4.474 -0.527 1
1 384 . 5 1 1 S 41 41 ALA CA C 50 35.451 53.611 -18.160 1
1 385 . 5 1 1 S 41 41 ALA CB C 50 39.091 19.831 19.260 1
1 386 . 5 1 1 S 41 41 ALA N N 50 119.565 122.033 -2.468 1
1 387 . 5 1 1 S 42 42 LEU H H 51 8.275 8.389 -0.114 1
1 388 . 5 1 1 S 42 42 LEU HA H 51 4.142 4.505 -0.363 1
1 397 . 5 1 1 S 42 42 LEU CA C 51 35.946 54.176 -18.230 1
1 398 . 5 1 1 S 42 42 LEU CB C 51 41.238 43.286 -2.048 1
1 402 . 5 1 1 S 42 42 LEU N N 51 113.553 115.096 -1.543 1
1 403 . 5 1 1 S 43 43 ASP H H 52 7.841 8.431 -0.590 1
1 404 . 5 1 1 S 43 43 ASP HA H 52 4.483 4.593 -0.110 1
1 407 . 5 1 1 S 43 43 ASP CA C 52 36.572 55.381 -18.809 1
1 408 . 5 1 1 S 43 43 ASP CB C 52 39.869 39.611 0.258 1
1 409 . 5 1 1 S 43 43 ASP N N 52 115.865 117.194 -1.329 1
1 410 . 5 1 1 S 44 44 MET H H 53 7.424 7.086 0.338 1
1 411 . 5 1 1 S 44 44 MET HA H 53 4.753 4.770 -0.017 1
1 419 . 5 1 1 S 44 44 MET CA C 53 36.030 53.047 -17.017 1
1 420 . 5 1 1 S 44 44 MET CB C 53 34.947 34.953 -0.006 1
1 422 . 5 1 1 S 44 44 MET N N 53 111.703 117.417 -5.714 1
1 423 . 5 1 1 S 45 45 THR H H 54 8.372 7.882 0.490 1
1 424 . 5 1 1 S 45 45 THR HA H 54 4.526 4.474 0.052 1
1 429 . 5 1 1 S 45 45 THR CA C 54 41.951 58.866 -16.915 1
1 430 . 5 1 1 S 45 45 THR CB C 54 33.933 71.611 -37.678 1
1 432 . 5 1 1 S 45 45 THR N N 54 107.079 110.719 -3.640 1
1 433 . 5 1 1 S 46 46 ARG H H 55 8.999 8.385 0.614 1
1 434 . 5 1 1 S 46 46 ARG HA H 55 3.469 3.489 -0.020 1
1 441 . 5 1 1 S 46 46 ARG CA C 55 41.154 58.674 -17.520 1
1 442 . 5 1 1 S 46 46 ARG CB C 55 29.806 30.039 -0.233 1
1 445 . 5 1 1 S 46 46 ARG N N 55 122.570 122.095 0.475 1
1 447 . 5 1 1 S 47 47 ASP H H 56 8.199 7.759 0.440 1
1 448 . 5 1 1 S 47 47 ASP HA H 56 4.334 4.522 -0.188 1
1 451 . 5 1 1 S 47 47 ASP CB C 56 40.724 40.855 -0.131 1
1 452 . 5 1 1 S 47 47 ASP N N 56 116.559 118.174 -1.615 1
1 453 . 5 1 1 S 48 48 GLU H H 57 7.547 7.840 -0.293 1
1 454 . 5 1 1 S 48 48 GLU HA H 57 3.920 4.147 -0.227 1
1 458 . 5 1 1 S 48 48 GLU CA C 57 40.418 58.380 -17.962 1
1 459 . 5 1 1 S 48 48 GLU CB C 57 29.932 30.212 -0.280 1
1 461 . 5 1 1 S 48 48 GLU N N 57 120.721 119.674 1.047 1
1 462 . 5 1 1 S 49 49 TYR H H 58 8.535 8.333 0.202 1
1 463 . 5 1 1 S 49 49 TYR HA H 58 4.181 4.067 0.114 1
1 468 . 5 1 1 S 49 49 TYR CA C 58 42.353 60.983 -18.630 1
1 469 . 5 1 1 S 49 49 TYR CB C 58 39.530 37.440 2.090 1
1 470 . 5 1 1 S 49 49 TYR N N 58 122.570 119.757 2.813 1
1 471 . 5 1 1 S 50 50 ASN H H 59 8.869 8.376 0.493 1
1 472 . 5 1 1 S 50 50 ASN HA H 59 4.293 4.489 -0.196 1
1 476 . 5 1 1 S 50 50 ASN CA C 59 35.728 56.006 -20.278 1
1 477 . 5 1 1 S 50 50 ASN CB C 59 38.117 38.371 -0.254 1
1 478 . 5 1 1 S 50 50 ASN N N 59 117.484 117.056 0.428 1
1 480 . 5 1 1 S 51 51 ALA H H 60 7.146 7.493 -0.347 1
1 481 . 5 1 1 S 51 51 ALA HA H 60 4.342 4.438 -0.096 1
1 485 . 5 1 1 S 51 51 ALA CA C 60 33.070 52.403 -19.333 1
1 486 . 5 1 1 S 51 51 ALA CB C 60 38.063 20.625 17.438 1
1 487 . 5 1 1 S 51 51 ALA N N 60 120.027 120.097 -0.070 1
1 488 . 5 1 1 S 52 52 LEU H H 61 7.396 7.620 -0.224 1
1 489 . 5 1 1 S 52 52 LEU HA H 61 4.338 4.337 0.001 1
1 499 . 5 1 1 S 52 52 LEU CA C 61 33.941 53.519 -19.578 1
1 500 . 5 1 1 S 52 52 LEU CB C 61 42.540 40.887 1.653 1
1 504 . 5 1 1 S 52 52 LEU N N 61 121.183 121.676 -0.493 1
1 505 . 5 1 1 S 53 53 PRO HA H 62 4.381 4.408 -0.027 1
1 512 . 5 1 1 S 53 53 PRO CA C 62 43.181 62.685 -19.504 1
1 513 . 5 1 1 S 53 53 PRO CB C 62 32.503 32.300 0.203 1
1 516 . 5 1 1 S 54 54 ALA H H 63 8.847 8.512 0.335 1
1 517 . 5 1 1 S 54 54 ALA HA H 63 3.953 3.942 0.011 1
1 521 . 5 1 1 S 54 54 ALA CA C 63 36.779 53.918 -17.139 1
1 522 . 5 1 1 S 54 54 ALA CB C 63 36.769 18.795 17.974 1
1 523 . 5 1 1 S 54 54 ALA N N 63 126.270 124.841 1.429 1
1 524 . 5 1 1 S 55 55 TRP H H 64 7.875 7.781 0.094 1
1 525 . 5 1 1 S 55 55 TRP HA H 64 4.378 4.375 0.003 1
1 534 . 5 1 1 S 55 55 TRP CA C 64 39.808 59.976 -20.168 1
1 535 . 5 1 1 S 55 55 TRP CB C 64 45.794 29.287 16.507 1
1 536 . 5 1 1 S 55 55 TRP N N 64 113.553 120.118 -6.565 1
1 538 . 5 1 1 S 56 56 LYS H H 65 6.197 7.525 -1.328 1
1 539 . 5 1 1 S 56 56 LYS HA H 65 3.631 2.316 1.315 1
1 547 . 5 1 1 S 56 56 LYS CA C 65 39.976 58.857 -18.881 1
1 548 . 5 1 1 S 56 56 LYS CB C 65 32.615 31.422 1.193 1
1 551 . 5 1 1 S 56 56 LYS N N 65 122.802 121.763 1.039 1
1 552 . 5 1 1 S 57 57 GLN H H 66 7.521 7.397 0.124 1
1 553 . 5 1 1 S 57 57 GLN HA H 66 3.585 3.219 0.366 1
1 560 . 5 1 1 S 57 57 GLN CA C 66 40.775 57.813 -17.038 1
1 561 . 5 1 1 S 57 57 GLN CB C 66 46.154 27.486 18.668 1
1 563 . 5 1 1 S 57 57 GLN N N 66 120.480 117.227 3.253 1
1 565 . 5 1 1 S 58 58 VAL H H 67 7.775 7.603 0.172 1
1 566 . 5 1 1 S 58 58 VAL HA H 67 3.197 3.289 -0.092 1
1 574 . 5 1 1 S 58 58 VAL CA C 67 29.564 66.100 -36.536 1
1 575 . 5 1 1 S 58 58 VAL CB C 67 31.723 31.495 0.228 1
1 578 . 5 1 1 S 58 58 VAL N N 67 117.021 120.667 -3.646 1
1 579 . 5 1 1 S 59 59 ASN H H 68 7.497 9.217 -1.720 1
1 580 . 5 1 1 S 59 59 ASN HA H 68 4.310 4.479 -0.169 1
1 584 . 5 1 1 S 59 59 ASN CA C 68 37.310 56.350 -19.040 1
1 585 . 5 1 1 S 59 59 ASN CB C 68 37.866 38.553 -0.687 1
1 586 . 5 1 1 S 59 59 ASN N N 68 118.177 118.593 -0.416 1
1 588 . 5 1 1 S 60 60 LEU H H 69 8.144 7.585 0.559 1
1 589 . 5 1 1 S 60 60 LEU HA H 69 4.226 4.090 0.136 1
1 599 . 5 1 1 S 60 60 LEU CA C 69 39.078 57.881 -18.803 1
1 600 . 5 1 1 S 60 60 LEU CB C 69 42.244 41.536 0.708 1
1 603 . 5 1 1 S 60 60 LEU N N 69 122.570 119.928 2.642 1
1 604 . 5 1 1 S 61 61 LYS H H 70 8.190 7.893 0.297 1
1 605 . 5 1 1 S 61 61 LYS HA H 70 3.610 4.005 -0.395 1
1 611 . 5 1 1 S 61 61 LYS CA C 70 43.383 60.094 -16.711 1
1 612 . 5 1 1 S 61 61 LYS CB C 70 32.375 32.209 0.166 1
1 614 . 5 1 1 S 61 61 LYS N N 70 116.790 117.020 -0.230 1
1 615 . 5 1 1 S 62 62 LYS H H 71 8.863 8.169 0.694 1
1 616 . 5 1 1 S 62 62 LYS HA H 71 4.121 4.038 0.083 1
1 623 . 5 1 1 S 62 62 LYS CA C 71 41.331 59.850 -18.519 1
1 624 . 5 1 1 S 62 62 LYS CB C 71 32.973 32.346 0.627 1
1 628 . 5 1 1 S 62 62 LYS N N 71 119.102 119.842 -0.740 1
1 629 . 5 1 1 S 63 63 ALA H H 72 7.734 7.727 0.007 1
1 630 . 5 1 1 S 63 63 ALA HA H 72 4.211 4.083 0.128 1
1 634 . 5 1 1 S 63 63 ALA CA C 72 35.710 54.790 -19.080 1
1 635 . 5 1 1 S 63 63 ALA CB C 72 37.243 18.358 18.885 1
1 636 . 5 1 1 S 63 63 ALA N N 72 121.414 121.488 -0.074 1
1 637 . 5 1 1 S 64 64 LYS H H 73 7.546 7.876 -0.330 1
1 638 . 5 1 1 S 64 64 LYS HA H 73 4.468 4.375 0.093 1
1 644 . 5 1 1 S 64 64 LYS CA C 73 34.628 56.295 -21.667 1
1 645 . 5 1 1 S 64 64 LYS CB C 73 32.588 33.404 -0.816 1
1 646 . 5 1 1 S 64 64 LYS N N 73 114.016 115.763 -1.747 1
1 647 . 5 1 1 S 65 65 GLY H H 74 7.508 8.602 -1.094 1
1 648 . 5 1 1 S 65 65 GLY HA2 H 74 4.260 4.023 0.237 1
1 649 . 5 1 1 S 65 65 GLY HA3 H 74 4.012 4.034 -0.022 1
1 650 . 5 1 1 S 65 65 GLY CA C 74 46.235 46.516 -0.281 1
1 651 . 5 1 1 S 65 65 GLY N N 74 105.692 108.333 -2.641 1
1 652 . 5 1 1 S 66 66 LEU H H 75 8.400 7.763 0.637 1
1 653 . 5 1 1 S 66 66 LEU HA H 75 4.519 4.515 0.004 1
1 663 . 5 1 1 S 66 66 LEU CA C 75 34.331 56.468 -22.137 1
1 664 . 5 1 1 S 66 66 LEU CB C 75 42.886 43.188 -0.302 1
1 668 . 5 1 1 S 66 66 LEU N N 75 120.952 117.961 2.991 1
1 1 . 6 1 1 S 6 6 CYS HA H 15 4.540 5.314 -0.774 1
1 4 . 6 1 1 S 6 6 CYS CB C 15 28.556 31.512 -2.956 1
1 5 . 6 1 1 S 7 7 LYS HA H 16 4.376 5.137 -0.761 1
1 8 . 6 1 1 S 7 7 LYS CA C 16 37.775 54.742 -16.967 1
1 9 . 6 1 1 S 7 7 LYS CB C 16 33.150 34.741 -1.591 1
1 10 . 6 1 1 S 8 8 THR H H 17 8.305 8.916 -0.611 1
1 11 . 6 1 1 S 8 8 THR HA H 17 4.320 4.770 -0.450 1
1 16 . 6 1 1 S 8 8 THR CA C 17 44.017 61.110 -17.093 1
1 17 . 6 1 1 S 8 8 THR CB C 17 31.886 72.444 -40.558 1
1 19 . 6 1 1 S 8 8 THR N N 17 115.400 118.167 -2.767 1
1 20 . 6 1 1 S 9 9 ILE H H 18 7.450 8.910 -1.460 1
1 21 . 6 1 1 S 9 9 ILE HA H 18 5.077 5.009 0.068 1
1 31 . 6 1 1 S 9 9 ILE CA C 18 38.964 60.494 -21.530 1
1 32 . 6 1 1 S 9 9 ILE CB C 18 40.553 38.482 2.071 1
1 36 . 6 1 1 S 9 9 ILE N N 18 122.802 126.395 -3.593 1
1 37 . 6 1 1 S 10 10 TYR H H 19 9.151 8.440 0.711 1
1 38 . 6 1 1 S 10 10 TYR HA H 19 4.927 4.787 0.140 1
1 43 . 6 1 1 S 10 10 TYR CB C 19 41.335 39.571 1.764 1
1 44 . 6 1 1 S 10 10 TYR N N 19 124.420 127.199 -2.779 1
1 45 . 6 1 1 S 11 11 PRO HA H 20 4.496 4.495 0.001 1
1 52 . 6 1 1 S 11 11 PRO CA C 20 43.576 63.055 -19.479 1
1 53 . 6 1 1 S 11 11 PRO CB C 20 32.801 31.659 1.142 1
1 55 . 6 1 1 S 12 12 LEU H H 21 7.790 8.550 -0.760 1
1 56 . 6 1 1 S 12 12 LEU HA H 21 3.896 3.985 -0.089 1
1 66 . 6 1 1 S 12 12 LEU CA C 21 39.620 57.809 -18.189 1
1 67 . 6 1 1 S 12 12 LEU CB C 21 42.245 41.802 0.443 1
1 71 . 6 1 1 S 12 12 LEU N N 21 123.727 124.875 -1.148 1
1 72 . 6 1 1 S 13 13 ALA H H 22 8.995 8.221 0.774 1
1 73 . 6 1 1 S 13 13 ALA HA H 22 3.943 4.010 -0.067 1
1 77 . 6 1 1 S 13 13 ALA CA C 22 36.717 55.194 -18.477 1
1 78 . 6 1 1 S 13 13 ALA CB C 22 37.456 17.664 19.792 1
1 79 . 6 1 1 S 13 13 ALA N N 22 116.790 121.721 -4.931 1
1 80 . 6 1 1 S 14 14 ASP H H 23 7.393 8.273 -0.880 1
1 81 . 6 1 1 S 14 14 ASP HA H 23 4.387 4.373 0.014 1
1 84 . 6 1 1 S 14 14 ASP CB C 23 40.902 40.264 0.638 1
1 85 . 6 1 1 S 14 14 ASP N N 23 115.403 118.991 -3.588 1
1 86 . 6 1 1 S 15 15 LEU H H 24 7.452 7.672 -0.220 1
1 87 . 6 1 1 S 15 15 LEU HA H 24 4.281 4.146 0.135 1
1 97 . 6 1 1 S 15 15 LEU CA C 24 35.761 56.944 -21.183 1
1 98 . 6 1 1 S 15 15 LEU CB C 24 41.179 41.916 -0.737 1
1 101 . 6 1 1 S 15 15 LEU N N 24 116.328 116.384 -0.056 1
1 102 . 6 1 1 S 16 16 LEU H H 25 7.396 7.462 -0.066 1
1 103 . 6 1 1 S 16 16 LEU HA H 25 4.350 4.150 0.200 1
1 112 . 6 1 1 S 16 16 LEU CA C 25 36.365 57.292 -20.927 1
1 113 . 6 1 1 S 16 16 LEU CB C 25 42.493 42.731 -0.238 1
1 116 . 6 1 1 S 16 16 LEU N N 25 116.790 120.962 -4.172 1
1 117 . 6 1 1 S 17 17 ALA H H 26 6.894 7.407 -0.513 1
1 118 . 6 1 1 S 17 17 ALA HA H 26 4.349 4.617 -0.268 1
1 122 . 6 1 1 S 17 17 ALA CB C 26 39.296 19.208 20.088 1
1 123 . 6 1 1 S 17 17 ALA N N 26 122.802 119.376 3.426 1
1 124 . 6 1 1 S 18 18 ARG H H 27 8.019 7.269 0.750 1
1 125 . 6 1 1 S 18 18 ARG HA H 27 4.429 4.953 -0.524 1
1 132 . 6 1 1 S 18 18 ARG CA C 27 32.436 53.995 -21.559 1
1 133 . 6 1 1 S 18 18 ARG CB C 27 31.405 33.178 -1.773 1
1 136 . 6 1 1 S 18 18 ARG N N 27 116.328 114.832 1.496 1
1 137 . 6 1 1 S 19 19 PRO HA H 28 4.483 4.472 0.011 1
1 144 . 6 1 1 S 19 19 PRO CA C 28 43.719 62.327 -18.608 1
1 145 . 6 1 1 S 19 19 PRO CB C 28 35.007 29.395 5.612 1
1 148 . 6 1 1 S 20 20 LEU H H 29 8.634 8.663 -0.029 1
1 149 . 6 1 1 S 20 20 LEU HA H 29 4.286 4.544 -0.258 1
1 159 . 6 1 1 S 20 20 LEU CA C 29 34.887 53.277 -18.390 1
1 160 . 6 1 1 S 20 20 LEU CB C 29 42.067 41.782 0.285 1
1 163 . 6 1 1 S 20 20 LEU N N 29 123.033 119.920 3.113 1
1 164 . 6 1 1 S 21 21 PRO HA H 30 4.273 4.578 -0.305 1
1 171 . 6 1 1 S 21 21 PRO CA C 30 43.649 62.398 -18.749 1
1 172 . 6 1 1 S 21 21 PRO CB C 30 31.638 33.380 -1.742 1
1 175 . 6 1 1 S 22 22 GLU H H 31 8.522 8.867 -0.345 1
1 176 . 6 1 1 S 22 22 GLU HA H 31 3.988 4.240 -0.252 1
1 180 . 6 1 1 S 22 22 GLU CA C 31 39.044 58.850 -19.806 1
1 181 . 6 1 1 S 22 22 GLU CB C 31 29.490 29.727 -0.237 1
1 183 . 6 1 1 S 22 22 GLU N N 31 123.264 121.114 2.150 1
1 184 . 6 1 1 S 23 23 GLY H H 32 8.783 8.467 0.316 1
1 185 . 6 1 1 S 23 23 GLY HA2 H 32 4.177 4.023 0.154 1
1 186 . 6 1 1 S 23 23 GLY HA3 H 32 3.697 4.195 -0.498 1
1 187 . 6 1 1 S 23 23 GLY CA C 32 45.506 47.176 -1.670 1
1 188 . 6 1 1 S 23 23 GLY N N 32 111.472 108.079 3.393 1
1 189 . 6 1 1 S 24 24 VAL H H 33 6.850 7.803 -0.953 1
1 190 . 6 1 1 S 24 24 VAL HA H 33 3.805 3.724 0.081 1
1 198 . 6 1 1 S 24 24 VAL CA C 33 42.632 62.292 -19.660 1
1 199 . 6 1 1 S 24 24 VAL CB C 33 32.321 31.952 0.369 1
1 202 . 6 1 1 S 24 24 VAL N N 33 117.021 120.643 -3.622 1
1 203 . 6 1 1 S 25 25 ASP H H 34 8.276 9.268 -0.992 1
1 206 . 6 1 1 S 25 25 ASP CB C 34 41.766 41.196 0.570 1
1 207 . 6 1 1 S 25 25 ASP N N 34 126.270 127.950 -1.680 1
1 208 . 6 1 1 S 26 26 PRO HA H 35 4.082 4.643 -0.561 1
1 215 . 6 1 1 S 26 26 PRO CA C 35 44.876 63.976 -19.100 1
1 216 . 6 1 1 S 26 26 PRO CB C 35 32.282 32.081 0.201 1
1 219 . 6 1 1 S 27 27 LEU H H 36 8.583 8.371 0.212 1
1 220 . 6 1 1 S 27 27 LEU HA H 36 4.361 4.620 -0.259 1
1 230 . 6 1 1 S 27 27 LEU CA C 36 36.955 54.133 -17.178 1
1 231 . 6 1 1 S 27 27 LEU CB C 36 41.466 42.644 -1.178 1
1 235 . 6 1 1 S 27 27 LEU N N 36 118.640 116.652 1.988 1
1 236 . 6 1 1 S 28 28 LYS H H 37 7.838 7.573 0.265 1
1 237 . 6 1 1 S 28 28 LYS HA H 37 5.037 4.809 0.228 1
1 243 . 6 1 1 S 28 28 LYS CA C 37 35.415 55.467 -20.052 1
1 244 . 6 1 1 S 28 28 LYS CB C 37 33.967 33.815 0.152 1
1 247 . 6 1 1 S 28 28 LYS N N 37 120.258 116.059 4.199 1
1 248 . 6 1 1 S 29 29 LEU H H 38 8.203 8.277 -0.074 1
1 249 . 6 1 1 S 29 29 LEU HA H 38 4.266 2.566 1.700 1
1 259 . 6 1 1 S 29 29 LEU CA C 38 39.317 56.441 -17.124 1
1 262 . 6 1 1 S 29 29 LEU N N 38 117.021 124.380 -7.359 1
1 263 . 6 1 1 S 30 30 GLU H H 39 10.041 7.859 2.182 1
1 264 . 6 1 1 S 30 30 GLU HA H 39 4.086 3.535 0.551 1
1 269 . 6 1 1 S 30 30 GLU CA C 39 39.629 58.617 -18.988 1
1 270 . 6 1 1 S 30 30 GLU CB C 39 45.835 28.706 17.129 1
1 272 . 6 1 1 S 30 30 GLU N N 39 114.478 116.449 -1.971 1
1 273 . 6 1 1 S 31 31 ILE H H 40 7.920 7.247 0.673 1
1 274 . 6 1 1 S 31 31 ILE HA H 40 4.266 3.848 0.418 1
1 284 . 6 1 1 S 31 31 ILE CA C 40 44.411 64.143 -19.732 1
1 285 . 6 1 1 S 31 31 ILE CB C 40 37.472 37.350 0.122 1
1 289 . 6 1 1 S 31 31 ILE N N 40 116.790 116.850 -0.060 1
1 290 . 6 1 1 S 32 32 TYR H H 41 7.426 7.501 -0.075 1
1 291 . 6 1 1 S 32 32 TYR HA H 41 4.928 4.428 0.500 1
1 296 . 6 1 1 S 32 32 TYR CB C 41 39.324 38.811 0.513 1
1 297 . 6 1 1 S 32 32 TYR N N 41 119.565 118.246 1.319 1
1 298 . 6 1 1 S 33 33 LEU H H 42 6.749 7.321 -0.572 1
1 299 . 6 1 1 S 33 33 LEU HA H 42 5.266 4.889 0.377 1
1 309 . 6 1 1 S 33 33 LEU CA C 42 33.953 53.361 -19.408 1
1 310 . 6 1 1 S 33 33 LEU CB C 42 45.122 44.585 0.537 1
1 314 . 6 1 1 S 33 33 LEU N N 42 114.709 117.157 -2.448 1
1 315 . 6 1 1 S 34 34 THR H H 43 9.549 8.664 0.885 1
1 316 . 6 1 1 S 34 34 THR HA H 43 4.319 4.598 -0.279 1
1 322 . 6 1 1 S 34 34 THR CA C 43 42.615 61.857 -19.242 1
1 323 . 6 1 1 S 34 34 THR CB C 43 34.267 70.139 -35.872 1
1 325 . 6 1 1 S 34 34 THR N N 43 115.172 118.099 -2.927 1
1 326 . 6 1 1 S 35 35 ASP H H 44 9.173 9.213 -0.040 1
1 327 . 6 1 1 S 35 35 ASP HA H 44 4.361 4.464 -0.103 1
1 330 . 6 1 1 S 35 35 ASP CA C 44 39.549 57.096 -17.547 1
1 331 . 6 1 1 S 35 35 ASP CB C 44 39.585 39.908 -0.323 1
1 332 . 6 1 1 S 35 35 ASP N N 44 122.339 123.371 -1.032 1
1 333 . 6 1 1 S 36 36 GLU H H 45 8.781 8.102 0.679 1
1 334 . 6 1 1 S 36 36 GLU HA H 45 4.119 4.140 -0.021 1
1 339 . 6 1 1 S 36 36 GLU CA C 45 41.388 59.199 -17.811 1
1 340 . 6 1 1 S 36 36 GLU CB C 45 29.301 29.340 -0.039 1
1 342 . 6 1 1 S 36 36 GLU N N 45 118.640 120.117 -1.477 1
1 343 . 6 1 1 S 37 37 ASP H H 46 7.864 8.152 -0.288 1
1 344 . 6 1 1 S 37 37 ASP HA H 46 4.726 4.459 0.267 1
1 347 . 6 1 1 S 37 37 ASP CA C 46 38.055 57.080 -19.025 1
1 348 . 6 1 1 S 37 37 ASP CB C 46 41.567 41.177 0.390 1
1 349 . 6 1 1 S 37 37 ASP N N 46 121.646 120.867 0.779 1
1 350 . 6 1 1 S 38 38 PHE H H 47 9.196 8.748 0.448 1
1 351 . 6 1 1 S 38 38 PHE HA H 47 3.753 4.072 -0.319 1
1 357 . 6 1 1 S 38 38 PHE CA C 47 43.221 61.287 -18.066 1
1 358 . 6 1 1 S 38 38 PHE CB C 47 40.280 38.673 1.607 1
1 359 . 6 1 1 S 38 38 PHE N N 47 122.802 119.553 3.249 1
1 360 . 6 1 1 S 39 39 GLU H H 48 8.496 9.593 -1.097 1
1 361 . 6 1 1 S 39 39 GLU HA H 48 4.413 3.914 0.499 1
1 365 . 6 1 1 S 39 39 GLU CA C 48 40.140 59.690 -19.550 1
1 366 . 6 1 1 S 39 39 GLU CB C 48 29.498 29.348 0.150 1
1 368 . 6 1 1 S 39 39 GLU N N 48 118.177 117.257 0.920 1
1 369 . 6 1 1 S 40 40 PHE H H 49 7.898 8.305 -0.407 1
1 370 . 6 1 1 S 40 40 PHE HA H 49 4.320 4.287 0.033 1
1 376 . 6 1 1 S 40 40 PHE CA C 49 41.713 61.403 -19.690 1
1 377 . 6 1 1 S 40 40 PHE CB C 49 39.847 38.738 1.109 1
1 378 . 6 1 1 S 40 40 PHE N N 49 119.565 120.909 -1.344 1
1 379 . 6 1 1 S 41 41 ALA H H 50 8.637 7.593 1.044 1
1 380 . 6 1 1 S 41 41 ALA HA H 50 3.947 4.513 -0.566 1
1 384 . 6 1 1 S 41 41 ALA CA C 50 35.451 53.908 -18.457 1
1 385 . 6 1 1 S 41 41 ALA CB C 50 39.091 20.049 19.042 1
1 386 . 6 1 1 S 41 41 ALA N N 50 119.565 122.118 -2.553 1
1 387 . 6 1 1 S 42 42 LEU H H 51 8.275 8.335 -0.060 1
1 388 . 6 1 1 S 42 42 LEU HA H 51 4.142 4.458 -0.316 1
1 397 . 6 1 1 S 42 42 LEU CA C 51 35.946 54.448 -18.502 1
1 398 . 6 1 1 S 42 42 LEU CB C 51 41.238 42.906 -1.668 1
1 402 . 6 1 1 S 42 42 LEU N N 51 113.553 115.400 -1.847 1
1 403 . 6 1 1 S 43 43 ASP H H 52 7.841 8.639 -0.798 1
1 404 . 6 1 1 S 43 43 ASP HA H 52 4.483 4.622 -0.139 1
1 407 . 6 1 1 S 43 43 ASP CA C 52 36.572 55.526 -18.954 1
1 408 . 6 1 1 S 43 43 ASP CB C 52 39.869 39.574 0.295 1
1 409 . 6 1 1 S 43 43 ASP N N 52 115.865 117.257 -1.392 1
1 410 . 6 1 1 S 44 44 MET H H 53 7.424 7.682 -0.258 1
1 411 . 6 1 1 S 44 44 MET HA H 53 4.753 4.592 0.161 1
1 419 . 6 1 1 S 44 44 MET CA C 53 36.030 52.691 -16.661 1
1 420 . 6 1 1 S 44 44 MET CB C 53 34.947 33.917 1.030 1
1 422 . 6 1 1 S 44 44 MET N N 53 111.703 117.162 -5.459 1
1 423 . 6 1 1 S 45 45 THR H H 54 8.372 7.714 0.658 1
1 424 . 6 1 1 S 45 45 THR HA H 54 4.526 4.381 0.145 1
1 429 . 6 1 1 S 45 45 THR CA C 54 41.951 58.786 -16.835 1
1 430 . 6 1 1 S 45 45 THR CB C 54 33.933 71.645 -37.712 1
1 432 . 6 1 1 S 45 45 THR N N 54 107.079 111.171 -4.092 1
1 433 . 6 1 1 S 46 46 ARG H H 55 8.999 8.485 0.514 1
1 434 . 6 1 1 S 46 46 ARG HA H 55 3.469 3.804 -0.335 1
1 441 . 6 1 1 S 46 46 ARG CA C 55 41.154 59.092 -17.938 1
1 442 . 6 1 1 S 46 46 ARG CB C 55 29.806 29.919 -0.113 1
1 445 . 6 1 1 S 46 46 ARG N N 55 122.570 122.120 0.450 1
1 447 . 6 1 1 S 47 47 ASP H H 56 8.199 7.994 0.205 1
1 448 . 6 1 1 S 47 47 ASP HA H 56 4.334 4.423 -0.089 1
1 451 . 6 1 1 S 47 47 ASP CB C 56 40.724 41.010 -0.286 1
1 452 . 6 1 1 S 47 47 ASP N N 56 116.559 117.557 -0.998 1
1 453 . 6 1 1 S 48 48 GLU H H 57 7.547 7.664 -0.117 1
1 454 . 6 1 1 S 48 48 GLU HA H 57 3.920 4.134 -0.214 1
1 458 . 6 1 1 S 48 48 GLU CA C 57 40.418 58.488 -18.070 1
1 459 . 6 1 1 S 48 48 GLU CB C 57 29.932 30.235 -0.303 1
1 461 . 6 1 1 S 48 48 GLU N N 57 120.721 119.649 1.072 1
1 462 . 6 1 1 S 49 49 TYR H H 58 8.535 8.100 0.435 1
1 463 . 6 1 1 S 49 49 TYR HA H 58 4.181 4.135 0.046 1
1 468 . 6 1 1 S 49 49 TYR CA C 58 42.353 61.036 -18.683 1
1 469 . 6 1 1 S 49 49 TYR CB C 58 39.530 37.476 2.054 1
1 470 . 6 1 1 S 49 49 TYR N N 58 122.570 119.879 2.691 1
1 471 . 6 1 1 S 50 50 ASN H H 59 8.869 8.384 0.485 1
1 472 . 6 1 1 S 50 50 ASN HA H 59 4.293 4.515 -0.222 1
1 476 . 6 1 1 S 50 50 ASN CA C 59 35.728 56.143 -20.415 1
1 477 . 6 1 1 S 50 50 ASN CB C 59 38.117 38.385 -0.268 1
1 478 . 6 1 1 S 50 50 ASN N N 59 117.484 116.884 0.600 1
1 480 . 6 1 1 S 51 51 ALA H H 60 7.146 7.387 -0.241 1
1 481 . 6 1 1 S 51 51 ALA HA H 60 4.342 4.426 -0.084 1
1 485 . 6 1 1 S 51 51 ALA CA C 60 33.070 52.301 -19.231 1
1 486 . 6 1 1 S 51 51 ALA CB C 60 38.063 20.446 17.617 1
1 487 . 6 1 1 S 51 51 ALA N N 60 120.027 119.901 0.126 1
1 488 . 6 1 1 S 52 52 LEU H H 61 7.396 7.329 0.067 1
1 489 . 6 1 1 S 52 52 LEU HA H 61 4.338 4.424 -0.086 1
1 499 . 6 1 1 S 52 52 LEU CA C 61 33.941 53.733 -19.792 1
1 500 . 6 1 1 S 52 52 LEU CB C 61 42.540 40.957 1.583 1
1 504 . 6 1 1 S 52 52 LEU N N 61 121.183 121.966 -0.783 1
1 505 . 6 1 1 S 53 53 PRO HA H 62 4.381 4.491 -0.110 1
1 512 . 6 1 1 S 53 53 PRO CA C 62 43.181 63.022 -19.841 1
1 513 . 6 1 1 S 53 53 PRO CB C 62 32.503 32.666 -0.163 1
1 516 . 6 1 1 S 54 54 ALA H H 63 8.847 8.683 0.164 1
1 517 . 6 1 1 S 54 54 ALA HA H 63 3.953 3.967 -0.014 1
1 521 . 6 1 1 S 54 54 ALA CA C 63 36.779 54.455 -17.676 1
1 522 . 6 1 1 S 54 54 ALA CB C 63 36.769 18.276 18.493 1
1 523 . 6 1 1 S 54 54 ALA N N 63 126.270 126.065 0.205 1
1 524 . 6 1 1 S 55 55 TRP H H 64 7.875 7.976 -0.101 1
1 525 . 6 1 1 S 55 55 TRP HA H 64 4.378 4.472 -0.094 1
1 534 . 6 1 1 S 55 55 TRP CA C 64 39.808 60.065 -20.257 1
1 535 . 6 1 1 S 55 55 TRP CB C 64 45.794 29.235 16.559 1
1 536 . 6 1 1 S 55 55 TRP N N 64 113.553 119.770 -6.217 1
1 538 . 6 1 1 S 56 56 LYS H H 65 6.197 7.586 -1.389 1
1 539 . 6 1 1 S 56 56 LYS HA H 65 3.631 2.531 1.100 1
1 547 . 6 1 1 S 56 56 LYS CA C 65 39.976 58.728 -18.752 1
1 548 . 6 1 1 S 56 56 LYS CB C 65 32.615 31.430 1.185 1
1 551 . 6 1 1 S 56 56 LYS N N 65 122.802 121.094 1.708 1
1 552 . 6 1 1 S 57 57 GLN H H 66 7.521 7.877 -0.356 1
1 553 . 6 1 1 S 57 57 GLN HA H 66 3.585 2.931 0.654 1
1 560 . 6 1 1 S 57 57 GLN CA C 66 40.775 57.724 -16.949 1
1 561 . 6 1 1 S 57 57 GLN CB C 66 46.154 27.467 18.687 1
1 563 . 6 1 1 S 57 57 GLN N N 66 120.480 117.116 3.364 1
1 565 . 6 1 1 S 58 58 VAL H H 67 7.775 7.773 0.002 1
1 566 . 6 1 1 S 58 58 VAL HA H 67 3.197 3.768 -0.571 1
1 574 . 6 1 1 S 58 58 VAL CA C 67 29.564 66.298 -36.734 1
1 575 . 6 1 1 S 58 58 VAL CB C 67 31.723 31.971 -0.248 1
1 578 . 6 1 1 S 58 58 VAL N N 67 117.021 120.701 -3.680 1
1 579 . 6 1 1 S 59 59 ASN H H 68 7.497 9.337 -1.840 1
1 580 . 6 1 1 S 59 59 ASN HA H 68 4.310 4.553 -0.243 1
1 584 . 6 1 1 S 59 59 ASN CA C 68 37.310 56.572 -19.262 1
1 585 . 6 1 1 S 59 59 ASN CB C 68 37.866 38.692 -0.826 1
1 586 . 6 1 1 S 59 59 ASN N N 68 118.177 118.723 -0.546 1
1 588 . 6 1 1 S 60 60 LEU H H 69 8.144 7.778 0.366 1
1 589 . 6 1 1 S 60 60 LEU HA H 69 4.226 4.040 0.186 1
1 599 . 6 1 1 S 60 60 LEU CA C 69 39.078 57.769 -18.691 1
1 600 . 6 1 1 S 60 60 LEU CB C 69 42.244 41.279 0.965 1
1 603 . 6 1 1 S 60 60 LEU N N 69 122.570 119.858 2.712 1
1 604 . 6 1 1 S 61 61 LYS H H 70 8.190 7.926 0.264 1
1 605 . 6 1 1 S 61 61 LYS HA H 70 3.610 3.885 -0.275 1
1 611 . 6 1 1 S 61 61 LYS CA C 70 43.383 60.137 -16.754 1
1 612 . 6 1 1 S 61 61 LYS CB C 70 32.375 32.161 0.214 1
1 614 . 6 1 1 S 61 61 LYS N N 70 116.790 118.294 -1.504 1
1 615 . 6 1 1 S 62 62 LYS H H 71 8.863 8.184 0.679 1
1 616 . 6 1 1 S 62 62 LYS HA H 71 4.121 4.229 -0.108 1
1 623 . 6 1 1 S 62 62 LYS CA C 71 41.331 59.361 -18.030 1
1 624 . 6 1 1 S 62 62 LYS CB C 71 32.973 32.247 0.726 1
1 628 . 6 1 1 S 62 62 LYS N N 71 119.102 119.624 -0.522 1
1 629 . 6 1 1 S 63 63 ALA H H 72 7.734 7.631 0.103 1
1 630 . 6 1 1 S 63 63 ALA HA H 72 4.211 4.170 0.041 1
1 634 . 6 1 1 S 63 63 ALA CA C 72 35.710 54.727 -19.017 1
1 635 . 6 1 1 S 63 63 ALA CB C 72 37.243 18.305 18.938 1
1 636 . 6 1 1 S 63 63 ALA N N 72 121.414 122.177 -0.763 1
1 637 . 6 1 1 S 64 64 LYS H H 73 7.546 8.395 -0.849 1
1 638 . 6 1 1 S 64 64 LYS HA H 73 4.468 4.368 0.100 1
1 644 . 6 1 1 S 64 64 LYS CA C 73 34.628 56.313 -21.685 1
1 645 . 6 1 1 S 64 64 LYS CB C 73 32.588 33.459 -0.871 1
1 646 . 6 1 1 S 64 64 LYS N N 73 114.016 115.964 -1.948 1
1 647 . 6 1 1 S 65 65 GLY H H 74 7.508 8.418 -0.910 1
1 648 . 6 1 1 S 65 65 GLY HA2 H 74 4.260 4.068 0.192 1
1 649 . 6 1 1 S 65 65 GLY HA3 H 74 4.012 4.080 -0.068 1
1 650 . 6 1 1 S 65 65 GLY CA C 74 46.235 45.112 1.123 1
1 651 . 6 1 1 S 65 65 GLY N N 74 105.692 107.499 -1.807 1
1 652 . 6 1 1 S 66 66 LEU H H 75 8.400 8.118 0.282 1
1 653 . 6 1 1 S 66 66 LEU HA H 75 4.519 3.992 0.527 1
1 663 . 6 1 1 S 66 66 LEU CA C 75 34.331 58.409 -24.078 1
1 664 . 6 1 1 S 66 66 LEU CB C 75 42.886 41.802 1.084 1
1 668 . 6 1 1 S 66 66 LEU N N 75 120.952 122.356 -1.404 1
1 1 . 7 1 1 S 6 6 CYS HA H 15 4.540 5.294 -0.754 1
1 4 . 7 1 1 S 6 6 CYS CB C 15 28.556 31.120 -2.564 1
1 5 . 7 1 1 S 7 7 LYS HA H 16 4.376 4.531 -0.155 1
1 8 . 7 1 1 S 7 7 LYS CA C 16 37.775 56.738 -18.963 1
1 9 . 7 1 1 S 7 7 LYS CB C 16 33.150 33.300 -0.150 1
1 10 . 7 1 1 S 8 8 THR H H 17 8.305 8.748 -0.443 1
1 11 . 7 1 1 S 8 8 THR HA H 17 4.320 4.916 -0.596 1
1 16 . 7 1 1 S 8 8 THR CA C 17 44.017 60.606 -16.589 1
1 17 . 7 1 1 S 8 8 THR CB C 17 31.886 71.319 -39.433 1
1 19 . 7 1 1 S 8 8 THR N N 17 115.400 116.634 -1.234 1
1 20 . 7 1 1 S 9 9 ILE H H 18 7.450 9.022 -1.572 1
1 21 . 7 1 1 S 9 9 ILE HA H 18 5.077 4.942 0.135 1
1 31 . 7 1 1 S 9 9 ILE CA C 18 38.964 60.596 -21.632 1
1 32 . 7 1 1 S 9 9 ILE CB C 18 40.553 38.607 1.946 1
1 36 . 7 1 1 S 9 9 ILE N N 18 122.802 129.704 -6.902 1
1 37 . 7 1 1 S 10 10 TYR H H 19 9.151 8.328 0.823 1
1 38 . 7 1 1 S 10 10 TYR HA H 19 4.927 4.783 0.144 1
1 43 . 7 1 1 S 10 10 TYR CB C 19 41.335 38.798 2.537 1
1 44 . 7 1 1 S 10 10 TYR N N 19 124.420 127.639 -3.219 1
1 45 . 7 1 1 S 11 11 PRO HA H 20 4.496 4.443 0.053 1
1 52 . 7 1 1 S 11 11 PRO CA C 20 43.576 63.002 -19.426 1
1 53 . 7 1 1 S 11 11 PRO CB C 20 32.801 31.697 1.104 1
1 55 . 7 1 1 S 12 12 LEU H H 21 7.790 8.486 -0.696 1
1 56 . 7 1 1 S 12 12 LEU HA H 21 3.896 3.953 -0.057 1
1 66 . 7 1 1 S 12 12 LEU CA C 21 39.620 57.889 -18.269 1
1 67 . 7 1 1 S 12 12 LEU CB C 21 42.245 41.542 0.703 1
1 71 . 7 1 1 S 12 12 LEU N N 21 123.727 124.872 -1.145 1
1 72 . 7 1 1 S 13 13 ALA H H 22 8.995 8.123 0.872 1
1 73 . 7 1 1 S 13 13 ALA HA H 22 3.943 4.084 -0.141 1
1 77 . 7 1 1 S 13 13 ALA CA C 22 36.717 55.418 -18.701 1
1 78 . 7 1 1 S 13 13 ALA CB C 22 37.456 18.537 18.919 1
1 79 . 7 1 1 S 13 13 ALA N N 22 116.790 121.871 -5.081 1
1 80 . 7 1 1 S 14 14 ASP H H 23 7.393 8.230 -0.837 1
1 81 . 7 1 1 S 14 14 ASP HA H 23 4.387 4.344 0.043 1
1 84 . 7 1 1 S 14 14 ASP CB C 23 40.902 40.443 0.459 1
1 85 . 7 1 1 S 14 14 ASP N N 23 115.403 118.193 -2.790 1
1 86 . 7 1 1 S 15 15 LEU H H 24 7.452 7.364 0.088 1
1 87 . 7 1 1 S 15 15 LEU HA H 24 4.281 4.500 -0.219 1
1 97 . 7 1 1 S 15 15 LEU CA C 24 35.761 54.918 -19.157 1
1 98 . 7 1 1 S 15 15 LEU CB C 24 41.179 43.208 -2.029 1
1 101 . 7 1 1 S 15 15 LEU N N 24 116.328 113.655 2.673 1
1 102 . 7 1 1 S 16 16 LEU H H 25 7.396 8.427 -1.031 1
1 103 . 7 1 1 S 16 16 LEU HA H 25 4.350 4.130 0.220 1
1 112 . 7 1 1 S 16 16 LEU CA C 25 36.365 56.861 -20.496 1
1 113 . 7 1 1 S 16 16 LEU CB C 25 42.493 42.063 0.430 1
1 116 . 7 1 1 S 16 16 LEU N N 25 116.790 121.151 -4.361 1
1 117 . 7 1 1 S 17 17 ALA H H 26 6.894 6.998 -0.104 1
1 118 . 7 1 1 S 17 17 ALA HA H 26 4.349 4.539 -0.190 1
1 122 . 7 1 1 S 17 17 ALA CB C 26 39.296 19.299 19.997 1
1 123 . 7 1 1 S 17 17 ALA N N 26 122.802 120.528 2.274 1
1 124 . 7 1 1 S 18 18 ARG H H 27 8.019 7.594 0.425 1
1 125 . 7 1 1 S 18 18 ARG HA H 27 4.429 4.912 -0.483 1
1 132 . 7 1 1 S 18 18 ARG CA C 27 32.436 53.399 -20.963 1
1 133 . 7 1 1 S 18 18 ARG CB C 27 31.405 33.810 -2.405 1
1 136 . 7 1 1 S 18 18 ARG N N 27 116.328 118.417 -2.089 1
1 137 . 7 1 1 S 19 19 PRO HA H 28 4.483 4.367 0.116 1
1 144 . 7 1 1 S 19 19 PRO CA C 28 43.719 63.257 -19.538 1
1 145 . 7 1 1 S 19 19 PRO CB C 28 35.007 31.628 3.379 1
1 148 . 7 1 1 S 20 20 LEU H H 29 8.634 8.030 0.604 1
1 149 . 7 1 1 S 20 20 LEU HA H 29 4.286 4.735 -0.449 1
1 159 . 7 1 1 S 20 20 LEU CA C 29 34.887 52.922 -18.035 1
1 160 . 7 1 1 S 20 20 LEU CB C 29 42.067 41.867 0.200 1
1 163 . 7 1 1 S 20 20 LEU N N 29 123.033 120.445 2.588 1
1 164 . 7 1 1 S 21 21 PRO HA H 30 4.273 4.646 -0.373 1
1 171 . 7 1 1 S 21 21 PRO CA C 30 43.649 62.042 -18.393 1
1 172 . 7 1 1 S 21 21 PRO CB C 30 31.638 32.992 -1.354 1
1 175 . 7 1 1 S 22 22 GLU H H 31 8.522 8.622 -0.100 1
1 176 . 7 1 1 S 22 22 GLU HA H 31 3.988 4.249 -0.261 1
1 180 . 7 1 1 S 22 22 GLU CA C 31 39.044 56.005 -16.961 1
1 181 . 7 1 1 S 22 22 GLU CB C 31 29.490 31.276 -1.786 1
1 183 . 7 1 1 S 22 22 GLU N N 31 123.264 121.027 2.237 1
1 184 . 7 1 1 S 23 23 GLY H H 32 8.783 8.847 -0.064 1
1 185 . 7 1 1 S 23 23 GLY HA2 H 32 4.177 3.751 0.426 1
1 186 . 7 1 1 S 23 23 GLY HA3 H 32 3.697 3.830 -0.133 1
1 187 . 7 1 1 S 23 23 GLY CA C 32 45.506 45.604 -0.098 1
1 188 . 7 1 1 S 23 23 GLY N N 32 111.472 113.069 -1.597 1
1 189 . 7 1 1 S 24 24 VAL H H 33 6.850 7.707 -0.857 1
1 190 . 7 1 1 S 24 24 VAL HA H 33 3.805 4.314 -0.509 1
1 198 . 7 1 1 S 24 24 VAL CA C 33 42.632 61.289 -18.657 1
1 199 . 7 1 1 S 24 24 VAL CB C 33 32.321 32.898 -0.577 1
1 202 . 7 1 1 S 24 24 VAL N N 33 117.021 121.782 -4.761 1
1 203 . 7 1 1 S 25 25 ASP H H 34 8.276 9.108 -0.832 1
1 206 . 7 1 1 S 25 25 ASP CB C 34 41.766 42.477 -0.711 1
1 207 . 7 1 1 S 25 25 ASP N N 34 126.270 128.489 -2.219 1
1 208 . 7 1 1 S 26 26 PRO HA H 35 4.082 4.206 -0.124 1
1 215 . 7 1 1 S 26 26 PRO CA C 35 44.876 64.472 -19.596 1
1 216 . 7 1 1 S 26 26 PRO CB C 35 32.282 32.033 0.249 1
1 219 . 7 1 1 S 27 27 LEU H H 36 8.583 8.314 0.269 1
1 220 . 7 1 1 S 27 27 LEU HA H 36 4.361 4.549 -0.188 1
1 230 . 7 1 1 S 27 27 LEU CA C 36 36.955 54.203 -17.248 1
1 231 . 7 1 1 S 27 27 LEU CB C 36 41.466 41.398 0.068 1
1 235 . 7 1 1 S 27 27 LEU N N 36 118.640 114.753 3.887 1
1 236 . 7 1 1 S 28 28 LYS H H 37 7.838 7.481 0.357 1
1 237 . 7 1 1 S 28 28 LYS HA H 37 5.037 4.591 0.446 1
1 243 . 7 1 1 S 28 28 LYS CA C 37 35.415 55.082 -19.667 1
1 244 . 7 1 1 S 28 28 LYS CB C 37 33.967 32.205 1.762 1
1 247 . 7 1 1 S 28 28 LYS N N 37 120.258 116.592 3.666 1
1 248 . 7 1 1 S 29 29 LEU H H 38 8.203 8.730 -0.527 1
1 249 . 7 1 1 S 29 29 LEU HA H 38 4.266 2.505 1.761 1
1 259 . 7 1 1 S 29 29 LEU CA C 38 39.317 56.060 -16.743 1
1 262 . 7 1 1 S 29 29 LEU N N 38 117.021 122.954 -5.933 1
1 263 . 7 1 1 S 30 30 GLU H H 39 10.041 8.145 1.896 1
1 264 . 7 1 1 S 30 30 GLU HA H 39 4.086 3.539 0.547 1
1 269 . 7 1 1 S 30 30 GLU CA C 39 39.629 58.447 -18.818 1
1 270 . 7 1 1 S 30 30 GLU CB C 39 45.835 28.610 17.225 1
1 272 . 7 1 1 S 30 30 GLU N N 39 114.478 116.768 -2.290 1
1 273 . 7 1 1 S 31 31 ILE H H 40 7.920 7.649 0.271 1
1 274 . 7 1 1 S 31 31 ILE HA H 40 4.266 4.102 0.164 1
1 284 . 7 1 1 S 31 31 ILE CA C 40 44.411 62.498 -18.087 1
1 285 . 7 1 1 S 31 31 ILE CB C 40 37.472 37.353 0.119 1
1 289 . 7 1 1 S 31 31 ILE N N 40 116.790 116.303 0.487 1
1 290 . 7 1 1 S 32 32 TYR H H 41 7.426 8.085 -0.659 1
1 291 . 7 1 1 S 32 32 TYR HA H 41 4.928 4.753 0.175 1
1 296 . 7 1 1 S 32 32 TYR CB C 41 39.324 39.616 -0.292 1
1 297 . 7 1 1 S 32 32 TYR N N 41 119.565 118.398 1.167 1
1 298 . 7 1 1 S 33 33 LEU H H 42 6.749 7.471 -0.722 1
1 299 . 7 1 1 S 33 33 LEU HA H 42 5.266 5.052 0.214 1
1 309 . 7 1 1 S 33 33 LEU CA C 42 33.953 53.001 -19.048 1
1 310 . 7 1 1 S 33 33 LEU CB C 42 45.122 45.088 0.034 1
1 314 . 7 1 1 S 33 33 LEU N N 42 114.709 117.439 -2.730 1
1 315 . 7 1 1 S 34 34 THR H H 43 9.549 8.668 0.881 1
1 316 . 7 1 1 S 34 34 THR HA H 43 4.319 4.769 -0.450 1
1 322 . 7 1 1 S 34 34 THR CA C 43 42.615 61.705 -19.090 1
1 323 . 7 1 1 S 34 34 THR CB C 43 34.267 70.430 -36.163 1
1 325 . 7 1 1 S 34 34 THR N N 43 115.172 117.643 -2.471 1
1 326 . 7 1 1 S 35 35 ASP H H 44 9.173 9.135 0.038 1
1 327 . 7 1 1 S 35 35 ASP HA H 44 4.361 4.415 -0.054 1
1 330 . 7 1 1 S 35 35 ASP CA C 44 39.549 57.032 -17.483 1
1 331 . 7 1 1 S 35 35 ASP CB C 44 39.585 39.796 -0.211 1
1 332 . 7 1 1 S 35 35 ASP N N 44 122.339 124.127 -1.788 1
1 333 . 7 1 1 S 36 36 GLU H H 45 8.781 8.146 0.635 1
1 334 . 7 1 1 S 36 36 GLU HA H 45 4.119 4.141 -0.022 1
1 339 . 7 1 1 S 36 36 GLU CA C 45 41.388 59.143 -17.755 1
1 340 . 7 1 1 S 36 36 GLU CB C 45 29.301 29.613 -0.312 1
1 342 . 7 1 1 S 36 36 GLU N N 45 118.640 120.499 -1.859 1
1 343 . 7 1 1 S 37 37 ASP H H 46 7.864 8.199 -0.335 1
1 344 . 7 1 1 S 37 37 ASP HA H 46 4.726 4.414 0.312 1
1 347 . 7 1 1 S 37 37 ASP CA C 46 38.055 57.050 -18.995 1
1 348 . 7 1 1 S 37 37 ASP CB C 46 41.567 41.230 0.337 1
1 349 . 7 1 1 S 37 37 ASP N N 46 121.646 120.715 0.931 1
1 350 . 7 1 1 S 38 38 PHE H H 47 9.196 8.707 0.489 1
1 351 . 7 1 1 S 38 38 PHE HA H 47 3.753 4.137 -0.384 1
1 357 . 7 1 1 S 38 38 PHE CA C 47 43.221 61.146 -17.925 1
1 358 . 7 1 1 S 38 38 PHE CB C 47 40.280 38.469 1.811 1
1 359 . 7 1 1 S 38 38 PHE N N 47 122.802 118.969 3.833 1
1 360 . 7 1 1 S 39 39 GLU H H 48 8.496 9.494 -0.998 1
1 361 . 7 1 1 S 39 39 GLU HA H 48 4.413 4.074 0.339 1
1 365 . 7 1 1 S 39 39 GLU CA C 48 40.140 59.596 -19.456 1
1 366 . 7 1 1 S 39 39 GLU CB C 48 29.498 29.086 0.412 1
1 368 . 7 1 1 S 39 39 GLU N N 48 118.177 117.596 0.581 1
1 369 . 7 1 1 S 40 40 PHE H H 49 7.898 8.851 -0.953 1
1 370 . 7 1 1 S 40 40 PHE HA H 49 4.320 4.230 0.090 1
1 376 . 7 1 1 S 40 40 PHE CA C 49 41.713 61.573 -19.860 1
1 377 . 7 1 1 S 40 40 PHE CB C 49 39.847 39.347 0.500 1
1 378 . 7 1 1 S 40 40 PHE N N 49 119.565 121.415 -1.850 1
1 379 . 7 1 1 S 41 41 ALA H H 50 8.637 7.728 0.909 1
1 380 . 7 1 1 S 41 41 ALA HA H 50 3.947 4.533 -0.586 1
1 384 . 7 1 1 S 41 41 ALA CA C 50 35.451 53.732 -18.281 1
1 385 . 7 1 1 S 41 41 ALA CB C 50 39.091 19.878 19.213 1
1 386 . 7 1 1 S 41 41 ALA N N 50 119.565 121.454 -1.889 1
1 387 . 7 1 1 S 42 42 LEU H H 51 8.275 7.925 0.350 1
1 388 . 7 1 1 S 42 42 LEU HA H 51 4.142 4.340 -0.198 1
1 397 . 7 1 1 S 42 42 LEU CA C 51 35.946 54.782 -18.836 1
1 398 . 7 1 1 S 42 42 LEU CB C 51 41.238 42.104 -0.866 1
1 402 . 7 1 1 S 42 42 LEU N N 51 113.553 116.285 -2.732 1
1 403 . 7 1 1 S 43 43 ASP H H 52 7.841 8.210 -0.369 1
1 404 . 7 1 1 S 43 43 ASP HA H 52 4.483 4.662 -0.179 1
1 407 . 7 1 1 S 43 43 ASP CA C 52 36.572 55.708 -19.136 1
1 408 . 7 1 1 S 43 43 ASP CB C 52 39.869 39.781 0.088 1
1 409 . 7 1 1 S 43 43 ASP N N 52 115.865 117.001 -1.136 1
1 410 . 7 1 1 S 44 44 MET H H 53 7.424 7.155 0.269 1
1 411 . 7 1 1 S 44 44 MET HA H 53 4.753 4.784 -0.031 1
1 419 . 7 1 1 S 44 44 MET CA C 53 36.030 53.148 -17.118 1
1 420 . 7 1 1 S 44 44 MET CB C 53 34.947 35.164 -0.217 1
1 422 . 7 1 1 S 44 44 MET N N 53 111.703 116.328 -4.625 1
1 423 . 7 1 1 S 45 45 THR H H 54 8.372 8.087 0.285 1
1 424 . 7 1 1 S 45 45 THR HA H 54 4.526 4.554 -0.028 1
1 429 . 7 1 1 S 45 45 THR CA C 54 41.951 58.977 -17.026 1
1 430 . 7 1 1 S 45 45 THR CB C 54 33.933 71.858 -37.925 1
1 432 . 7 1 1 S 45 45 THR N N 54 107.079 111.058 -3.979 1
1 433 . 7 1 1 S 46 46 ARG H H 55 8.999 8.220 0.779 1
1 434 . 7 1 1 S 46 46 ARG HA H 55 3.469 3.190 0.279 1
1 441 . 7 1 1 S 46 46 ARG CA C 55 41.154 58.674 -17.520 1
1 442 . 7 1 1 S 46 46 ARG CB C 55 29.806 29.753 0.053 1
1 445 . 7 1 1 S 46 46 ARG N N 55 122.570 121.880 0.690 1
1 447 . 7 1 1 S 47 47 ASP H H 56 8.199 7.867 0.332 1
1 448 . 7 1 1 S 47 47 ASP HA H 56 4.334 4.400 -0.066 1
1 451 . 7 1 1 S 47 47 ASP CB C 56 40.724 41.023 -0.299 1
1 452 . 7 1 1 S 47 47 ASP N N 56 116.559 117.294 -0.735 1
1 453 . 7 1 1 S 48 48 GLU H H 57 7.547 8.120 -0.573 1
1 454 . 7 1 1 S 48 48 GLU HA H 57 3.920 4.181 -0.261 1
1 458 . 7 1 1 S 48 48 GLU CA C 57 40.418 58.372 -17.954 1
1 459 . 7 1 1 S 48 48 GLU CB C 57 29.932 30.292 -0.360 1
1 461 . 7 1 1 S 48 48 GLU N N 57 120.721 119.339 1.382 1
1 462 . 7 1 1 S 49 49 TYR H H 58 8.535 8.399 0.136 1
1 463 . 7 1 1 S 49 49 TYR HA H 58 4.181 4.165 0.016 1
1 468 . 7 1 1 S 49 49 TYR CA C 58 42.353 60.985 -18.632 1
1 469 . 7 1 1 S 49 49 TYR CB C 58 39.530 37.418 2.112 1
1 470 . 7 1 1 S 49 49 TYR N N 58 122.570 119.827 2.743 1
1 471 . 7 1 1 S 50 50 ASN H H 59 8.869 8.390 0.479 1
1 472 . 7 1 1 S 50 50 ASN HA H 59 4.293 4.502 -0.209 1
1 476 . 7 1 1 S 50 50 ASN CA C 59 35.728 56.181 -20.453 1
1 477 . 7 1 1 S 50 50 ASN CB C 59 38.117 38.319 -0.202 1
1 478 . 7 1 1 S 50 50 ASN N N 59 117.484 117.534 -0.050 1
1 480 . 7 1 1 S 51 51 ALA H H 60 7.146 7.396 -0.250 1
1 481 . 7 1 1 S 51 51 ALA HA H 60 4.342 4.428 -0.086 1
1 485 . 7 1 1 S 51 51 ALA CA C 60 33.070 52.239 -19.169 1
1 486 . 7 1 1 S 51 51 ALA CB C 60 38.063 20.319 17.744 1
1 487 . 7 1 1 S 51 51 ALA N N 60 120.027 120.102 -0.075 1
1 488 . 7 1 1 S 52 52 LEU H H 61 7.396 7.403 -0.007 1
1 489 . 7 1 1 S 52 52 LEU HA H 61 4.338 4.383 -0.045 1
1 499 . 7 1 1 S 52 52 LEU CA C 61 33.941 53.679 -19.738 1
1 500 . 7 1 1 S 52 52 LEU CB C 61 42.540 40.810 1.730 1
1 504 . 7 1 1 S 52 52 LEU N N 61 121.183 121.924 -0.741 1
1 505 . 7 1 1 S 53 53 PRO HA H 62 4.381 4.473 -0.092 1
1 512 . 7 1 1 S 53 53 PRO CA C 62 43.181 62.993 -19.812 1
1 513 . 7 1 1 S 53 53 PRO CB C 62 32.503 32.718 -0.215 1
1 516 . 7 1 1 S 54 54 ALA H H 63 8.847 8.664 0.183 1
1 517 . 7 1 1 S 54 54 ALA HA H 63 3.953 3.964 -0.011 1
1 521 . 7 1 1 S 54 54 ALA CA C 63 36.779 54.449 -17.670 1
1 522 . 7 1 1 S 54 54 ALA CB C 63 36.769 18.264 18.505 1
1 523 . 7 1 1 S 54 54 ALA N N 63 126.270 126.021 0.249 1
1 524 . 7 1 1 S 55 55 TRP H H 64 7.875 8.090 -0.215 1
1 525 . 7 1 1 S 55 55 TRP HA H 64 4.378 4.422 -0.044 1
1 534 . 7 1 1 S 55 55 TRP CA C 64 39.808 60.170 -20.362 1
1 535 . 7 1 1 S 55 55 TRP CB C 64 45.794 29.055 16.739 1
1 536 . 7 1 1 S 55 55 TRP N N 64 113.553 119.834 -6.281 1
1 538 . 7 1 1 S 56 56 LYS H H 65 6.197 7.613 -1.416 1
1 539 . 7 1 1 S 56 56 LYS HA H 65 3.631 2.484 1.147 1
1 547 . 7 1 1 S 56 56 LYS CA C 65 39.976 58.526 -18.550 1
1 548 . 7 1 1 S 56 56 LYS CB C 65 32.615 31.200 1.415 1
1 551 . 7 1 1 S 56 56 LYS N N 65 122.802 120.938 1.864 1
1 552 . 7 1 1 S 57 57 GLN H H 66 7.521 7.898 -0.377 1
1 553 . 7 1 1 S 57 57 GLN HA H 66 3.585 2.847 0.738 1
1 560 . 7 1 1 S 57 57 GLN CA C 66 40.775 57.913 -17.138 1
1 561 . 7 1 1 S 57 57 GLN CB C 66 46.154 27.652 18.502 1
1 563 . 7 1 1 S 57 57 GLN N N 66 120.480 117.370 3.110 1
1 565 . 7 1 1 S 58 58 VAL H H 67 7.775 7.774 0.001 1
1 566 . 7 1 1 S 58 58 VAL HA H 67 3.197 3.666 -0.469 1
1 574 . 7 1 1 S 58 58 VAL CA C 67 29.564 66.518 -36.954 1
1 575 . 7 1 1 S 58 58 VAL CB C 67 31.723 31.599 0.124 1
1 578 . 7 1 1 S 58 58 VAL N N 67 117.021 120.994 -3.973 1
1 579 . 7 1 1 S 59 59 ASN H H 68 7.497 9.127 -1.630 1
1 580 . 7 1 1 S 59 59 ASN HA H 68 4.310 4.506 -0.196 1
1 584 . 7 1 1 S 59 59 ASN CA C 68 37.310 56.296 -18.986 1
1 585 . 7 1 1 S 59 59 ASN CB C 68 37.866 38.334 -0.468 1
1 586 . 7 1 1 S 59 59 ASN N N 68 118.177 118.879 -0.702 1
1 588 . 7 1 1 S 60 60 LEU H H 69 8.144 7.744 0.400 1
1 589 . 7 1 1 S 60 60 LEU HA H 69 4.226 4.082 0.144 1
1 599 . 7 1 1 S 60 60 LEU CA C 69 39.078 57.468 -18.390 1
1 600 . 7 1 1 S 60 60 LEU CB C 69 42.244 41.476 0.768 1
1 603 . 7 1 1 S 60 60 LEU N N 69 122.570 120.295 2.275 1
1 604 . 7 1 1 S 61 61 LYS H H 70 8.190 7.934 0.256 1
1 605 . 7 1 1 S 61 61 LYS HA H 70 3.610 4.142 -0.532 1
1 611 . 7 1 1 S 61 61 LYS CA C 70 43.383 59.874 -16.491 1
1 612 . 7 1 1 S 61 61 LYS CB C 70 32.375 32.252 0.123 1
1 614 . 7 1 1 S 61 61 LYS N N 70 116.790 118.952 -2.162 1
1 615 . 7 1 1 S 62 62 LYS H H 71 8.863 8.761 0.102 1
1 616 . 7 1 1 S 62 62 LYS HA H 71 4.121 4.278 -0.157 1
1 623 . 7 1 1 S 62 62 LYS CA C 71 41.331 59.499 -18.168 1
1 624 . 7 1 1 S 62 62 LYS CB C 71 32.973 32.289 0.684 1
1 628 . 7 1 1 S 62 62 LYS N N 71 119.102 119.747 -0.645 1
1 629 . 7 1 1 S 63 63 ALA H H 72 7.734 7.745 -0.011 1
1 630 . 7 1 1 S 63 63 ALA HA H 72 4.211 4.051 0.160 1
1 634 . 7 1 1 S 63 63 ALA CA C 72 35.710 54.797 -19.087 1
1 635 . 7 1 1 S 63 63 ALA CB C 72 37.243 18.842 18.401 1
1 636 . 7 1 1 S 63 63 ALA N N 72 121.414 120.568 0.846 1
1 637 . 7 1 1 S 64 64 LYS H H 73 7.546 7.684 -0.138 1
1 638 . 7 1 1 S 64 64 LYS HA H 73 4.468 4.469 -0.001 1
1 644 . 7 1 1 S 64 64 LYS CA C 73 34.628 56.141 -21.513 1
1 645 . 7 1 1 S 64 64 LYS CB C 73 32.588 34.021 -1.433 1
1 646 . 7 1 1 S 64 64 LYS N N 73 114.016 116.226 -2.210 1
1 647 . 7 1 1 S 65 65 GLY H H 74 7.508 8.213 -0.705 1
1 648 . 7 1 1 S 65 65 GLY HA2 H 74 4.260 4.101 0.159 1
1 649 . 7 1 1 S 65 65 GLY HA3 H 74 4.012 4.269 -0.257 1
1 650 . 7 1 1 S 65 65 GLY CA C 74 46.235 46.484 -0.249 1
1 651 . 7 1 1 S 65 65 GLY N N 74 105.692 108.443 -2.751 1
1 652 . 7 1 1 S 66 66 LEU H H 75 8.400 8.854 -0.454 1
1 653 . 7 1 1 S 66 66 LEU HA H 75 4.519 4.194 0.325 1
1 663 . 7 1 1 S 66 66 LEU CA C 75 34.331 56.247 -21.916 1
1 664 . 7 1 1 S 66 66 LEU CB C 75 42.886 42.519 0.367 1
1 668 . 7 1 1 S 66 66 LEU N N 75 120.952 118.249 2.703 1
1 1 . 8 1 1 S 6 6 CYS HA H 15 4.540 4.989 -0.449 1
1 4 . 8 1 1 S 6 6 CYS CB C 15 28.556 31.738 -3.182 1
1 5 . 8 1 1 S 7 7 LYS HA H 16 4.376 4.426 -0.050 1
1 8 . 8 1 1 S 7 7 LYS CA C 16 37.775 56.842 -19.067 1
1 9 . 8 1 1 S 7 7 LYS CB C 16 33.150 33.402 -0.252 1
1 10 . 8 1 1 S 8 8 THR H H 17 8.305 8.657 -0.352 1
1 11 . 8 1 1 S 8 8 THR HA H 17 4.320 5.051 -0.731 1
1 16 . 8 1 1 S 8 8 THR CA C 17 44.017 60.732 -16.715 1
1 17 . 8 1 1 S 8 8 THR CB C 17 31.886 70.791 -38.905 1
1 19 . 8 1 1 S 8 8 THR N N 17 115.400 116.267 -0.867 1
1 20 . 8 1 1 S 9 9 ILE H H 18 7.450 8.975 -1.525 1
1 21 . 8 1 1 S 9 9 ILE HA H 18 5.077 4.744 0.333 1
1 31 . 8 1 1 S 9 9 ILE CA C 18 38.964 59.921 -20.957 1
1 32 . 8 1 1 S 9 9 ILE CB C 18 40.553 40.124 0.429 1
1 36 . 8 1 1 S 9 9 ILE N N 18 122.802 130.245 -7.443 1
1 37 . 8 1 1 S 10 10 TYR H H 19 9.151 8.448 0.703 1
1 38 . 8 1 1 S 10 10 TYR HA H 19 4.927 4.850 0.077 1
1 43 . 8 1 1 S 10 10 TYR CB C 19 41.335 39.145 2.190 1
1 44 . 8 1 1 S 10 10 TYR N N 19 124.420 129.521 -5.101 1
1 45 . 8 1 1 S 11 11 PRO HA H 20 4.496 4.464 0.032 1
1 52 . 8 1 1 S 11 11 PRO CA C 20 43.576 63.191 -19.615 1
1 53 . 8 1 1 S 11 11 PRO CB C 20 32.801 32.059 0.742 1
1 55 . 8 1 1 S 12 12 LEU H H 21 7.790 8.567 -0.777 1
1 56 . 8 1 1 S 12 12 LEU HA H 21 3.896 4.002 -0.106 1
1 66 . 8 1 1 S 12 12 LEU CA C 21 39.620 57.742 -18.122 1
1 67 . 8 1 1 S 12 12 LEU CB C 21 42.245 41.749 0.496 1
1 71 . 8 1 1 S 12 12 LEU N N 21 123.727 124.882 -1.155 1
1 72 . 8 1 1 S 13 13 ALA H H 22 8.995 8.307 0.688 1
1 73 . 8 1 1 S 13 13 ALA HA H 22 3.943 4.038 -0.095 1
1 77 . 8 1 1 S 13 13 ALA CA C 22 36.717 55.373 -18.656 1
1 78 . 8 1 1 S 13 13 ALA CB C 22 37.456 17.917 19.539 1
1 79 . 8 1 1 S 13 13 ALA N N 22 116.790 121.734 -4.944 1
1 80 . 8 1 1 S 14 14 ASP H H 23 7.393 8.416 -1.023 1
1 81 . 8 1 1 S 14 14 ASP HA H 23 4.387 4.752 -0.365 1
1 84 . 8 1 1 S 14 14 ASP CB C 23 40.902 40.674 0.228 1
1 85 . 8 1 1 S 14 14 ASP N N 23 115.403 120.519 -5.116 1
1 86 . 8 1 1 S 15 15 LEU H H 24 7.452 7.335 0.117 1
1 87 . 8 1 1 S 15 15 LEU HA H 24 4.281 4.441 -0.160 1
1 97 . 8 1 1 S 15 15 LEU CA C 24 35.761 56.133 -20.372 1
1 98 . 8 1 1 S 15 15 LEU CB C 24 41.179 42.238 -1.059 1
1 101 . 8 1 1 S 15 15 LEU N N 24 116.328 115.164 1.164 1
1 102 . 8 1 1 S 16 16 LEU H H 25 7.396 7.882 -0.486 1
1 103 . 8 1 1 S 16 16 LEU HA H 25 4.350 4.587 -0.237 1
1 112 . 8 1 1 S 16 16 LEU CA C 25 36.365 53.622 -17.257 1
1 113 . 8 1 1 S 16 16 LEU CB C 25 42.493 42.570 -0.077 1
1 116 . 8 1 1 S 16 16 LEU N N 25 116.790 121.116 -4.326 1
1 117 . 8 1 1 S 17 17 ALA H H 26 6.894 7.957 -1.063 1
1 118 . 8 1 1 S 17 17 ALA HA H 26 4.349 4.043 0.306 1
1 122 . 8 1 1 S 17 17 ALA CB C 26 39.296 17.560 21.736 1
1 123 . 8 1 1 S 17 17 ALA N N 26 122.802 119.816 2.986 1
1 124 . 8 1 1 S 18 18 ARG H H 27 8.019 7.258 0.761 1
1 125 . 8 1 1 S 18 18 ARG HA H 27 4.429 4.746 -0.317 1
1 132 . 8 1 1 S 18 18 ARG CA C 27 32.436 53.206 -20.770 1
1 133 . 8 1 1 S 18 18 ARG CB C 27 31.405 33.776 -2.371 1
1 136 . 8 1 1 S 18 18 ARG N N 27 116.328 116.125 0.203 1
1 137 . 8 1 1 S 19 19 PRO HA H 28 4.483 4.370 0.113 1
1 144 . 8 1 1 S 19 19 PRO CA C 28 43.719 63.338 -19.619 1
1 145 . 8 1 1 S 19 19 PRO CB C 28 35.007 31.685 3.322 1
1 148 . 8 1 1 S 20 20 LEU H H 29 8.634 8.070 0.564 1
1 149 . 8 1 1 S 20 20 LEU HA H 29 4.286 5.108 -0.822 1
1 159 . 8 1 1 S 20 20 LEU CA C 29 34.887 52.916 -18.029 1
1 160 . 8 1 1 S 20 20 LEU CB C 29 42.067 41.829 0.238 1
1 163 . 8 1 1 S 20 20 LEU N N 29 123.033 120.399 2.634 1
1 164 . 8 1 1 S 21 21 PRO HA H 30 4.273 4.659 -0.386 1
1 171 . 8 1 1 S 21 21 PRO CA C 30 43.649 62.118 -18.469 1
1 172 . 8 1 1 S 21 21 PRO CB C 30 31.638 33.128 -1.490 1
1 175 . 8 1 1 S 22 22 GLU H H 31 8.522 8.818 -0.296 1
1 176 . 8 1 1 S 22 22 GLU HA H 31 3.988 4.200 -0.212 1
1 180 . 8 1 1 S 22 22 GLU CA C 31 39.044 58.962 -19.918 1
1 181 . 8 1 1 S 22 22 GLU CB C 31 29.490 29.616 -0.126 1
1 183 . 8 1 1 S 22 22 GLU N N 31 123.264 120.944 2.320 1
1 184 . 8 1 1 S 23 23 GLY H H 32 8.783 8.375 0.408 1
1 185 . 8 1 1 S 23 23 GLY HA2 H 32 4.177 4.028 0.149 1
1 186 . 8 1 1 S 23 23 GLY HA3 H 32 3.697 4.163 -0.466 1
1 187 . 8 1 1 S 23 23 GLY CA C 32 45.506 46.987 -1.481 1
1 188 . 8 1 1 S 23 23 GLY N N 32 111.472 108.014 3.458 1
1 189 . 8 1 1 S 24 24 VAL H H 33 6.850 7.806 -0.956 1
1 190 . 8 1 1 S 24 24 VAL HA H 33 3.805 3.567 0.238 1
1 198 . 8 1 1 S 24 24 VAL CA C 33 42.632 62.436 -19.804 1
1 199 . 8 1 1 S 24 24 VAL CB C 33 32.321 31.407 0.914 1
1 202 . 8 1 1 S 24 24 VAL N N 33 117.021 120.007 -2.986 1
1 203 . 8 1 1 S 25 25 ASP H H 34 8.276 9.345 -1.069 1
1 206 . 8 1 1 S 25 25 ASP CB C 34 41.766 41.644 0.122 1
1 207 . 8 1 1 S 25 25 ASP N N 34 126.270 128.907 -2.637 1
1 208 . 8 1 1 S 26 26 PRO HA H 35 4.082 4.390 -0.308 1
1 215 . 8 1 1 S 26 26 PRO CA C 35 44.876 65.082 -20.206 1
1 216 . 8 1 1 S 26 26 PRO CB C 35 32.282 32.008 0.274 1
1 219 . 8 1 1 S 27 27 LEU H H 36 8.583 8.275 0.308 1
1 220 . 8 1 1 S 27 27 LEU HA H 36 4.361 4.230 0.131 1
1 230 . 8 1 1 S 27 27 LEU CA C 36 36.955 55.514 -18.559 1
1 231 . 8 1 1 S 27 27 LEU CB C 36 41.466 41.630 -0.164 1
1 235 . 8 1 1 S 27 27 LEU N N 36 118.640 114.366 4.274 1
1 236 . 8 1 1 S 28 28 LYS H H 37 7.838 7.747 0.091 1
1 237 . 8 1 1 S 28 28 LYS HA H 37 5.037 4.754 0.283 1
1 243 . 8 1 1 S 28 28 LYS CA C 37 35.415 55.283 -19.868 1
1 244 . 8 1 1 S 28 28 LYS CB C 37 33.967 32.601 1.366 1
1 247 . 8 1 1 S 28 28 LYS N N 37 120.258 116.691 3.567 1
1 248 . 8 1 1 S 29 29 LEU H H 38 8.203 8.575 -0.372 1
1 249 . 8 1 1 S 29 29 LEU HA H 38 4.266 2.305 1.961 1
1 259 . 8 1 1 S 29 29 LEU CA C 38 39.317 56.133 -16.816 1
1 262 . 8 1 1 S 29 29 LEU N N 38 117.021 124.256 -7.235 1
1 263 . 8 1 1 S 30 30 GLU H H 39 10.041 8.263 1.778 1
1 264 . 8 1 1 S 30 30 GLU HA H 39 4.086 3.626 0.460 1
1 269 . 8 1 1 S 30 30 GLU CA C 39 39.629 58.311 -18.682 1
1 270 . 8 1 1 S 30 30 GLU CB C 39 45.835 28.465 17.370 1
1 272 . 8 1 1 S 30 30 GLU N N 39 114.478 117.064 -2.586 1
1 273 . 8 1 1 S 31 31 ILE H H 40 7.920 7.339 0.581 1
1 274 . 8 1 1 S 31 31 ILE HA H 40 4.266 4.001 0.265 1
1 284 . 8 1 1 S 31 31 ILE CA C 40 44.411 63.612 -19.201 1
1 285 . 8 1 1 S 31 31 ILE CB C 40 37.472 37.400 0.072 1
1 289 . 8 1 1 S 31 31 ILE N N 40 116.790 116.493 0.297 1
1 290 . 8 1 1 S 32 32 TYR H H 41 7.426 7.251 0.175 1
1 291 . 8 1 1 S 32 32 TYR HA H 41 4.928 4.607 0.321 1
1 296 . 8 1 1 S 32 32 TYR CB C 41 39.324 39.074 0.250 1
1 297 . 8 1 1 S 32 32 TYR N N 41 119.565 117.925 1.640 1
1 298 . 8 1 1 S 33 33 LEU H H 42 6.749 7.418 -0.669 1
1 299 . 8 1 1 S 33 33 LEU HA H 42 5.266 4.891 0.375 1
1 309 . 8 1 1 S 33 33 LEU CA C 42 33.953 53.365 -19.412 1
1 310 . 8 1 1 S 33 33 LEU CB C 42 45.122 44.537 0.585 1
1 314 . 8 1 1 S 33 33 LEU N N 42 114.709 117.396 -2.687 1
1 315 . 8 1 1 S 34 34 THR H H 43 9.549 8.874 0.675 1
1 316 . 8 1 1 S 34 34 THR HA H 43 4.319 4.585 -0.266 1
1 322 . 8 1 1 S 34 34 THR CA C 43 42.615 61.358 -18.743 1
1 323 . 8 1 1 S 34 34 THR CB C 43 34.267 71.052 -36.785 1
1 325 . 8 1 1 S 34 34 THR N N 43 115.172 113.921 1.251 1
1 326 . 8 1 1 S 35 35 ASP H H 44 9.173 9.217 -0.044 1
1 327 . 8 1 1 S 35 35 ASP HA H 44 4.361 4.481 -0.120 1
1 330 . 8 1 1 S 35 35 ASP CA C 44 39.549 57.052 -17.503 1
1 331 . 8 1 1 S 35 35 ASP CB C 44 39.585 39.772 -0.187 1
1 332 . 8 1 1 S 35 35 ASP N N 44 122.339 121.219 1.120 1
1 333 . 8 1 1 S 36 36 GLU H H 45 8.781 8.085 0.696 1
1 334 . 8 1 1 S 36 36 GLU HA H 45 4.119 4.164 -0.045 1
1 339 . 8 1 1 S 36 36 GLU CA C 45 41.388 59.089 -17.701 1
1 340 . 8 1 1 S 36 36 GLU CB C 45 29.301 29.443 -0.142 1
1 342 . 8 1 1 S 36 36 GLU N N 45 118.640 120.301 -1.661 1
1 343 . 8 1 1 S 37 37 ASP H H 46 7.864 8.125 -0.261 1
1 344 . 8 1 1 S 37 37 ASP HA H 46 4.726 4.503 0.223 1
1 347 . 8 1 1 S 37 37 ASP CA C 46 38.055 57.235 -19.180 1
1 348 . 8 1 1 S 37 37 ASP CB C 46 41.567 40.939 0.628 1
1 349 . 8 1 1 S 37 37 ASP N N 46 121.646 120.723 0.923 1
1 350 . 8 1 1 S 38 38 PHE H H 47 9.196 9.511 -0.315 1
1 351 . 8 1 1 S 38 38 PHE HA H 47 3.753 4.035 -0.282 1
1 357 . 8 1 1 S 38 38 PHE CA C 47 43.221 61.340 -18.119 1
1 358 . 8 1 1 S 38 38 PHE CB C 47 40.280 38.977 1.303 1
1 359 . 8 1 1 S 38 38 PHE N N 47 122.802 119.724 3.078 1
1 360 . 8 1 1 S 39 39 GLU H H 48 8.496 9.524 -1.028 1
1 361 . 8 1 1 S 39 39 GLU HA H 48 4.413 3.905 0.508 1
1 365 . 8 1 1 S 39 39 GLU CA C 48 40.140 59.641 -19.501 1
1 366 . 8 1 1 S 39 39 GLU CB C 48 29.498 29.412 0.086 1
1 368 . 8 1 1 S 39 39 GLU N N 48 118.177 117.365 0.812 1
1 369 . 8 1 1 S 40 40 PHE H H 49 7.898 8.114 -0.216 1
1 370 . 8 1 1 S 40 40 PHE HA H 49 4.320 4.362 -0.042 1
1 376 . 8 1 1 S 40 40 PHE CA C 49 41.713 60.713 -19.000 1
1 377 . 8 1 1 S 40 40 PHE CB C 49 39.847 38.466 1.381 1
1 378 . 8 1 1 S 40 40 PHE N N 49 119.565 120.629 -1.064 1
1 379 . 8 1 1 S 41 41 ALA H H 50 8.637 7.735 0.902 1
1 380 . 8 1 1 S 41 41 ALA HA H 50 3.947 4.525 -0.578 1
1 384 . 8 1 1 S 41 41 ALA CA C 50 35.451 53.918 -18.467 1
1 385 . 8 1 1 S 41 41 ALA CB C 50 39.091 20.040 19.051 1
1 386 . 8 1 1 S 41 41 ALA N N 50 119.565 122.134 -2.569 1
1 387 . 8 1 1 S 42 42 LEU H H 51 8.275 8.126 0.149 1
1 388 . 8 1 1 S 42 42 LEU HA H 51 4.142 4.454 -0.312 1
1 397 . 8 1 1 S 42 42 LEU CA C 51 35.946 54.313 -18.367 1
1 398 . 8 1 1 S 42 42 LEU CB C 51 41.238 42.577 -1.339 1
1 402 . 8 1 1 S 42 42 LEU N N 51 113.553 115.509 -1.956 1
1 403 . 8 1 1 S 43 43 ASP H H 52 7.841 8.276 -0.435 1
1 404 . 8 1 1 S 43 43 ASP HA H 52 4.483 4.616 -0.133 1
1 407 . 8 1 1 S 43 43 ASP CA C 52 36.572 55.495 -18.923 1
1 408 . 8 1 1 S 43 43 ASP CB C 52 39.869 39.498 0.371 1
1 409 . 8 1 1 S 43 43 ASP N N 52 115.865 117.070 -1.205 1
1 410 . 8 1 1 S 44 44 MET H H 53 7.424 7.026 0.398 1
1 411 . 8 1 1 S 44 44 MET HA H 53 4.753 4.670 0.083 1
1 419 . 8 1 1 S 44 44 MET CA C 53 36.030 53.126 -17.096 1
1 420 . 8 1 1 S 44 44 MET CB C 53 34.947 34.852 0.095 1
1 422 . 8 1 1 S 44 44 MET N N 53 111.703 117.421 -5.718 1
1 423 . 8 1 1 S 45 45 THR H H 54 8.372 7.759 0.613 1
1 424 . 8 1 1 S 45 45 THR HA H 54 4.526 4.401 0.125 1
1 429 . 8 1 1 S 45 45 THR CA C 54 41.951 58.724 -16.773 1
1 430 . 8 1 1 S 45 45 THR CB C 54 33.933 71.586 -37.653 1
1 432 . 8 1 1 S 45 45 THR N N 54 107.079 109.606 -2.527 1
1 433 . 8 1 1 S 46 46 ARG H H 55 8.999 8.586 0.413 1
1 434 . 8 1 1 S 46 46 ARG HA H 55 3.469 3.893 -0.424 1
1 441 . 8 1 1 S 46 46 ARG CA C 55 41.154 59.065 -17.911 1
1 442 . 8 1 1 S 46 46 ARG CB C 55 29.806 29.911 -0.105 1
1 445 . 8 1 1 S 46 46 ARG N N 55 122.570 122.110 0.460 1
1 447 . 8 1 1 S 47 47 ASP H H 56 8.199 8.237 -0.038 1
1 448 . 8 1 1 S 47 47 ASP HA H 56 4.334 4.395 -0.061 1
1 451 . 8 1 1 S 47 47 ASP CB C 56 40.724 40.113 0.611 1
1 452 . 8 1 1 S 47 47 ASP N N 56 116.559 116.121 0.438 1
1 453 . 8 1 1 S 48 48 GLU H H 57 7.547 7.694 -0.147 1
1 454 . 8 1 1 S 48 48 GLU HA H 57 3.920 4.157 -0.237 1
1 458 . 8 1 1 S 48 48 GLU CA C 57 40.418 58.450 -18.032 1
1 459 . 8 1 1 S 48 48 GLU CB C 57 29.932 30.278 -0.346 1
1 461 . 8 1 1 S 48 48 GLU N N 57 120.721 119.680 1.041 1
1 462 . 8 1 1 S 49 49 TYR H H 58 8.535 8.151 0.384 1
1 463 . 8 1 1 S 49 49 TYR HA H 58 4.181 4.182 -0.001 1
1 468 . 8 1 1 S 49 49 TYR CA C 58 42.353 60.890 -18.537 1
1 469 . 8 1 1 S 49 49 TYR CB C 58 39.530 37.605 1.925 1
1 470 . 8 1 1 S 49 49 TYR N N 58 122.570 119.838 2.732 1
1 471 . 8 1 1 S 50 50 ASN H H 59 8.869 8.394 0.475 1
1 472 . 8 1 1 S 50 50 ASN HA H 59 4.293 4.511 -0.218 1
1 476 . 8 1 1 S 50 50 ASN CA C 59 35.728 56.022 -20.294 1
1 477 . 8 1 1 S 50 50 ASN CB C 59 38.117 38.372 -0.255 1
1 478 . 8 1 1 S 50 50 ASN N N 59 117.484 117.232 0.252 1
1 480 . 8 1 1 S 51 51 ALA H H 60 7.146 7.727 -0.581 1
1 481 . 8 1 1 S 51 51 ALA HA H 60 4.342 4.466 -0.124 1
1 485 . 8 1 1 S 51 51 ALA CA C 60 33.070 52.427 -19.357 1
1 486 . 8 1 1 S 51 51 ALA CB C 60 38.063 20.939 17.124 1
1 487 . 8 1 1 S 51 51 ALA N N 60 120.027 120.123 -0.096 1
1 488 . 8 1 1 S 52 52 LEU H H 61 7.396 7.623 -0.227 1
1 489 . 8 1 1 S 52 52 LEU HA H 61 4.338 4.357 -0.019 1
1 499 . 8 1 1 S 52 52 LEU CA C 61 33.941 53.790 -19.849 1
1 500 . 8 1 1 S 52 52 LEU CB C 61 42.540 40.954 1.586 1
1 504 . 8 1 1 S 52 52 LEU N N 61 121.183 121.938 -0.755 1
1 505 . 8 1 1 S 53 53 PRO HA H 62 4.381 4.439 -0.058 1
1 512 . 8 1 1 S 53 53 PRO CA C 62 43.181 63.233 -20.052 1
1 513 . 8 1 1 S 53 53 PRO CB C 62 32.503 32.341 0.162 1
1 516 . 8 1 1 S 54 54 ALA H H 63 8.847 8.628 0.219 1
1 517 . 8 1 1 S 54 54 ALA HA H 63 3.953 3.834 0.119 1
1 521 . 8 1 1 S 54 54 ALA CA C 63 36.779 54.327 -17.548 1
1 522 . 8 1 1 S 54 54 ALA CB C 63 36.769 18.389 18.380 1
1 523 . 8 1 1 S 54 54 ALA N N 63 126.270 126.900 -0.630 1
1 524 . 8 1 1 S 55 55 TRP H H 64 7.875 7.920 -0.045 1
1 525 . 8 1 1 S 55 55 TRP HA H 64 4.378 4.431 -0.053 1
1 534 . 8 1 1 S 55 55 TRP CA C 64 39.808 59.980 -20.172 1
1 535 . 8 1 1 S 55 55 TRP CB C 64 45.794 29.284 16.510 1
1 536 . 8 1 1 S 55 55 TRP N N 64 113.553 119.701 -6.148 1
1 538 . 8 1 1 S 56 56 LYS H H 65 6.197 7.641 -1.444 1
1 539 . 8 1 1 S 56 56 LYS HA H 65 3.631 2.417 1.214 1
1 547 . 8 1 1 S 56 56 LYS CA C 65 39.976 58.947 -18.971 1
1 548 . 8 1 1 S 56 56 LYS CB C 65 32.615 31.699 0.916 1
1 551 . 8 1 1 S 56 56 LYS N N 65 122.802 122.220 0.582 1
1 552 . 8 1 1 S 57 57 GLN H H 66 7.521 7.785 -0.264 1
1 553 . 8 1 1 S 57 57 GLN HA H 66 3.585 3.330 0.255 1
1 560 . 8 1 1 S 57 57 GLN CA C 66 40.775 57.855 -17.080 1
1 561 . 8 1 1 S 57 57 GLN CB C 66 46.154 27.497 18.657 1
1 563 . 8 1 1 S 57 57 GLN N N 66 120.480 117.007 3.473 1
1 565 . 8 1 1 S 58 58 VAL H H 67 7.775 7.940 -0.165 1
1 566 . 8 1 1 S 58 58 VAL HA H 67 3.197 3.247 -0.050 1
1 574 . 8 1 1 S 58 58 VAL CA C 67 29.564 65.976 -36.412 1
1 575 . 8 1 1 S 58 58 VAL CB C 67 31.723 31.390 0.333 1
1 578 . 8 1 1 S 58 58 VAL N N 67 117.021 120.755 -3.734 1
1 579 . 8 1 1 S 59 59 ASN H H 68 7.497 9.205 -1.708 1
1 580 . 8 1 1 S 59 59 ASN HA H 68 4.310 4.548 -0.238 1
1 584 . 8 1 1 S 59 59 ASN CA C 68 37.310 56.277 -18.967 1
1 585 . 8 1 1 S 59 59 ASN CB C 68 37.866 38.929 -1.063 1
1 586 . 8 1 1 S 59 59 ASN N N 68 118.177 118.574 -0.397 1
1 588 . 8 1 1 S 60 60 LEU H H 69 8.144 7.602 0.542 1
1 589 . 8 1 1 S 60 60 LEU HA H 69 4.226 4.192 0.034 1
1 599 . 8 1 1 S 60 60 LEU CA C 69 39.078 56.908 -17.830 1
1 600 . 8 1 1 S 60 60 LEU CB C 69 42.244 41.797 0.447 1
1 603 . 8 1 1 S 60 60 LEU N N 69 122.570 119.215 3.355 1
1 604 . 8 1 1 S 61 61 LYS H H 70 8.190 8.189 0.001 1
1 605 . 8 1 1 S 61 61 LYS HA H 70 3.610 3.926 -0.316 1
1 611 . 8 1 1 S 61 61 LYS CA C 70 43.383 60.459 -17.076 1
1 612 . 8 1 1 S 61 61 LYS CB C 70 32.375 32.355 0.020 1
1 614 . 8 1 1 S 61 61 LYS N N 70 116.790 117.740 -0.950 1
1 615 . 8 1 1 S 62 62 LYS H H 71 8.863 8.452 0.411 1
1 616 . 8 1 1 S 62 62 LYS HA H 71 4.121 4.191 -0.070 1
1 623 . 8 1 1 S 62 62 LYS CA C 71 41.331 59.615 -18.284 1
1 624 . 8 1 1 S 62 62 LYS CB C 71 32.973 32.023 0.950 1
1 628 . 8 1 1 S 62 62 LYS N N 71 119.102 119.522 -0.420 1
1 629 . 8 1 1 S 63 63 ALA H H 72 7.734 8.006 -0.272 1
1 630 . 8 1 1 S 63 63 ALA HA H 72 4.211 4.121 0.090 1
1 634 . 8 1 1 S 63 63 ALA CA C 72 35.710 54.636 -18.926 1
1 635 . 8 1 1 S 63 63 ALA CB C 72 37.243 18.664 18.579 1
1 636 . 8 1 1 S 63 63 ALA N N 72 121.414 120.327 1.087 1
1 637 . 8 1 1 S 64 64 LYS H H 73 7.546 7.635 -0.089 1
1 638 . 8 1 1 S 64 64 LYS HA H 73 4.468 4.554 -0.086 1
1 644 . 8 1 1 S 64 64 LYS CA C 73 34.628 55.760 -21.132 1
1 645 . 8 1 1 S 64 64 LYS CB C 73 32.588 32.785 -0.197 1
1 646 . 8 1 1 S 64 64 LYS N N 73 114.016 116.299 -2.283 1
1 647 . 8 1 1 S 65 65 GLY H H 74 7.508 8.116 -0.608 1
1 648 . 8 1 1 S 65 65 GLY HA2 H 74 4.260 3.975 0.285 1
1 649 . 8 1 1 S 65 65 GLY HA3 H 74 4.012 3.981 0.031 1
1 650 . 8 1 1 S 65 65 GLY CA C 74 46.235 46.355 -0.120 1
1 651 . 8 1 1 S 65 65 GLY N N 74 105.692 108.229 -2.537 1
1 652 . 8 1 1 S 66 66 LEU H H 75 8.400 8.608 -0.208 1
1 653 . 8 1 1 S 66 66 LEU HA H 75 4.519 4.078 0.441 1
1 663 . 8 1 1 S 66 66 LEU CA C 75 34.331 58.567 -24.236 1
1 664 . 8 1 1 S 66 66 LEU CB C 75 42.886 42.041 0.845 1
1 668 . 8 1 1 S 66 66 LEU N N 75 120.952 121.891 -0.939 1
1 1 . 9 1 1 S 6 6 CYS HA H 15 4.540 5.237 -0.697 1
1 4 . 9 1 1 S 6 6 CYS CB C 15 28.556 30.333 -1.777 1
1 5 . 9 1 1 S 7 7 LYS HA H 16 4.376 4.992 -0.616 1
1 8 . 9 1 1 S 7 7 LYS CA C 16 37.775 54.972 -17.197 1
1 9 . 9 1 1 S 7 7 LYS CB C 16 33.150 34.678 -1.528 1
1 10 . 9 1 1 S 8 8 THR H H 17 8.305 9.070 -0.765 1
1 11 . 9 1 1 S 8 8 THR HA H 17 4.320 4.981 -0.661 1
1 16 . 9 1 1 S 8 8 THR CA C 17 44.017 61.837 -17.820 1
1 17 . 9 1 1 S 8 8 THR CB C 17 31.886 71.362 -39.476 1
1 19 . 9 1 1 S 8 8 THR N N 17 115.400 120.148 -4.748 1
1 20 . 9 1 1 S 9 9 ILE H H 18 7.450 9.167 -1.717 1
1 21 . 9 1 1 S 9 9 ILE HA H 18 5.077 5.114 -0.037 1
1 31 . 9 1 1 S 9 9 ILE CA C 18 38.964 58.896 -19.932 1
1 32 . 9 1 1 S 9 9 ILE CB C 18 40.553 41.363 -0.810 1
1 36 . 9 1 1 S 9 9 ILE N N 18 122.802 128.040 -5.238 1
1 37 . 9 1 1 S 10 10 TYR H H 19 9.151 8.471 0.680 1
1 38 . 9 1 1 S 10 10 TYR HA H 19 4.927 4.888 0.039 1
1 43 . 9 1 1 S 10 10 TYR CB C 19 41.335 39.631 1.704 1
1 44 . 9 1 1 S 10 10 TYR N N 19 124.420 124.193 0.227 1
1 45 . 9 1 1 S 11 11 PRO HA H 20 4.496 4.520 -0.024 1
1 52 . 9 1 1 S 11 11 PRO CA C 20 43.576 63.333 -19.757 1
1 53 . 9 1 1 S 11 11 PRO CB C 20 32.801 32.531 0.270 1
1 55 . 9 1 1 S 12 12 LEU H H 21 7.790 8.610 -0.820 1
1 56 . 9 1 1 S 12 12 LEU HA H 21 3.896 4.030 -0.134 1
1 66 . 9 1 1 S 12 12 LEU CA C 21 39.620 57.885 -18.265 1
1 67 . 9 1 1 S 12 12 LEU CB C 21 42.245 41.690 0.555 1
1 71 . 9 1 1 S 12 12 LEU N N 21 123.727 124.355 -0.628 1
1 72 . 9 1 1 S 13 13 ALA H H 22 8.995 8.348 0.647 1
1 73 . 9 1 1 S 13 13 ALA HA H 22 3.943 4.055 -0.112 1
1 77 . 9 1 1 S 13 13 ALA CA C 22 36.717 55.370 -18.653 1
1 78 . 9 1 1 S 13 13 ALA CB C 22 37.456 17.866 19.590 1
1 79 . 9 1 1 S 13 13 ALA N N 22 116.790 121.540 -4.750 1
1 80 . 9 1 1 S 14 14 ASP H H 23 7.393 8.302 -0.909 1
1 81 . 9 1 1 S 14 14 ASP HA H 23 4.387 4.383 0.004 1
1 84 . 9 1 1 S 14 14 ASP CB C 23 40.902 40.874 0.028 1
1 85 . 9 1 1 S 14 14 ASP N N 23 115.403 119.362 -3.959 1
1 86 . 9 1 1 S 15 15 LEU H H 24 7.452 7.335 0.117 1
1 87 . 9 1 1 S 15 15 LEU HA H 24 4.281 4.557 -0.276 1
1 97 . 9 1 1 S 15 15 LEU CA C 24 35.761 55.203 -19.442 1
1 98 . 9 1 1 S 15 15 LEU CB C 24 41.179 43.644 -2.465 1
1 101 . 9 1 1 S 15 15 LEU N N 24 116.328 112.755 3.573 1
1 102 . 9 1 1 S 16 16 LEU H H 25 7.396 8.552 -1.156 1
1 103 . 9 1 1 S 16 16 LEU HA H 25 4.350 4.388 -0.038 1
1 112 . 9 1 1 S 16 16 LEU CA C 25 36.365 53.616 -17.251 1
1 113 . 9 1 1 S 16 16 LEU CB C 25 42.493 40.605 1.888 1
1 116 . 9 1 1 S 16 16 LEU N N 25 116.790 120.738 -3.948 1
1 117 . 9 1 1 S 17 17 ALA H H 26 6.894 8.531 -1.637 1
1 118 . 9 1 1 S 17 17 ALA HA H 26 4.349 4.019 0.330 1
1 122 . 9 1 1 S 17 17 ALA CB C 26 39.296 17.586 21.710 1
1 123 . 9 1 1 S 17 17 ALA N N 26 122.802 118.016 4.786 1
1 124 . 9 1 1 S 18 18 ARG H H 27 8.019 7.663 0.356 1
1 125 . 9 1 1 S 18 18 ARG HA H 27 4.429 4.768 -0.339 1
1 132 . 9 1 1 S 18 18 ARG CA C 27 32.436 53.287 -20.851 1
1 133 . 9 1 1 S 18 18 ARG CB C 27 31.405 33.834 -2.429 1
1 136 . 9 1 1 S 18 18 ARG N N 27 116.328 116.118 0.210 1
1 137 . 9 1 1 S 19 19 PRO HA H 28 4.483 4.359 0.124 1
1 144 . 9 1 1 S 19 19 PRO CA C 28 43.719 63.246 -19.527 1
1 145 . 9 1 1 S 19 19 PRO CB C 28 35.007 31.630 3.377 1
1 148 . 9 1 1 S 20 20 LEU H H 29 8.634 7.989 0.645 1
1 149 . 9 1 1 S 20 20 LEU HA H 29 4.286 4.705 -0.419 1
1 159 . 9 1 1 S 20 20 LEU CA C 29 34.887 53.013 -18.126 1
1 160 . 9 1 1 S 20 20 LEU CB C 29 42.067 41.891 0.176 1
1 163 . 9 1 1 S 20 20 LEU N N 29 123.033 120.448 2.585 1
1 164 . 9 1 1 S 21 21 PRO HA H 30 4.273 4.622 -0.349 1
1 171 . 9 1 1 S 21 21 PRO CA C 30 43.649 62.068 -18.419 1
1 172 . 9 1 1 S 21 21 PRO CB C 30 31.638 33.038 -1.400 1
1 175 . 9 1 1 S 22 22 GLU H H 31 8.522 8.776 -0.254 1
1 176 . 9 1 1 S 22 22 GLU HA H 31 3.988 4.128 -0.140 1
1 180 . 9 1 1 S 22 22 GLU CA C 31 39.044 59.064 -20.020 1
1 181 . 9 1 1 S 22 22 GLU CB C 31 29.490 29.559 -0.069 1
1 183 . 9 1 1 S 22 22 GLU N N 31 123.264 120.940 2.324 1
1 184 . 9 1 1 S 23 23 GLY H H 32 8.783 8.372 0.411 1
1 185 . 9 1 1 S 23 23 GLY HA2 H 32 4.177 3.996 0.181 1
1 186 . 9 1 1 S 23 23 GLY HA3 H 32 3.697 4.035 -0.338 1
1 187 . 9 1 1 S 23 23 GLY CA C 32 45.506 46.815 -1.309 1
1 188 . 9 1 1 S 23 23 GLY N N 32 111.472 108.005 3.467 1
1 189 . 9 1 1 S 24 24 VAL H H 33 6.850 7.770 -0.920 1
1 190 . 9 1 1 S 24 24 VAL HA H 33 3.805 2.968 0.837 1
1 198 . 9 1 1 S 24 24 VAL CA C 33 42.632 61.956 -19.324 1
1 199 . 9 1 1 S 24 24 VAL CB C 33 32.321 30.927 1.394 1
1 202 . 9 1 1 S 24 24 VAL N N 33 117.021 119.941 -2.920 1
1 203 . 9 1 1 S 25 25 ASP H H 34 8.276 8.974 -0.698 1
1 206 . 9 1 1 S 25 25 ASP CB C 34 41.766 41.749 0.017 1
1 207 . 9 1 1 S 25 25 ASP N N 34 126.270 128.949 -2.679 1
1 208 . 9 1 1 S 26 26 PRO HA H 35 4.082 4.445 -0.363 1
1 215 . 9 1 1 S 26 26 PRO CA C 35 44.876 64.666 -19.790 1
1 216 . 9 1 1 S 26 26 PRO CB C 35 32.282 32.095 0.187 1
1 219 . 9 1 1 S 27 27 LEU H H 36 8.583 8.383 0.200 1
1 220 . 9 1 1 S 27 27 LEU HA H 36 4.361 4.597 -0.236 1
1 230 . 9 1 1 S 27 27 LEU CA C 36 36.955 55.978 -19.023 1
1 231 . 9 1 1 S 27 27 LEU CB C 36 41.466 41.587 -0.121 1
1 235 . 9 1 1 S 27 27 LEU N N 36 118.640 115.376 3.264 1
1 236 . 9 1 1 S 28 28 LYS H H 37 7.838 7.659 0.179 1
1 237 . 9 1 1 S 28 28 LYS HA H 37 5.037 4.723 0.314 1
1 243 . 9 1 1 S 28 28 LYS CA C 37 35.415 55.360 -19.945 1
1 244 . 9 1 1 S 28 28 LYS CB C 37 33.967 35.488 -1.521 1
1 247 . 9 1 1 S 28 28 LYS N N 37 120.258 116.251 4.007 1
1 248 . 9 1 1 S 29 29 LEU H H 38 8.203 8.856 -0.653 1
1 249 . 9 1 1 S 29 29 LEU HA H 38 4.266 2.711 1.555 1
1 259 . 9 1 1 S 29 29 LEU CA C 38 39.317 56.559 -17.242 1
1 262 . 9 1 1 S 29 29 LEU N N 38 117.021 121.727 -4.706 1
1 263 . 9 1 1 S 30 30 GLU H H 39 10.041 8.129 1.912 1
1 264 . 9 1 1 S 30 30 GLU HA H 39 4.086 3.604 0.482 1
1 269 . 9 1 1 S 30 30 GLU CA C 39 39.629 58.610 -18.981 1
1 270 . 9 1 1 S 30 30 GLU CB C 39 45.835 28.772 17.063 1
1 272 . 9 1 1 S 30 30 GLU N N 39 114.478 116.918 -2.440 1
1 273 . 9 1 1 S 31 31 ILE H H 40 7.920 7.466 0.454 1
1 274 . 9 1 1 S 31 31 ILE HA H 40 4.266 3.855 0.411 1
1 284 . 9 1 1 S 31 31 ILE CA C 40 44.411 64.088 -19.677 1
1 285 . 9 1 1 S 31 31 ILE CB C 40 37.472 37.410 0.062 1
1 289 . 9 1 1 S 31 31 ILE N N 40 116.790 117.274 -0.484 1
1 290 . 9 1 1 S 32 32 TYR H H 41 7.426 7.375 0.051 1
1 291 . 9 1 1 S 32 32 TYR HA H 41 4.928 4.688 0.240 1
1 296 . 9 1 1 S 32 32 TYR CB C 41 39.324 38.279 1.045 1
1 297 . 9 1 1 S 32 32 TYR N N 41 119.565 118.025 1.540 1
1 298 . 9 1 1 S 33 33 LEU H H 42 6.749 7.493 -0.744 1
1 299 . 9 1 1 S 33 33 LEU HA H 42 5.266 4.953 0.313 1
1 309 . 9 1 1 S 33 33 LEU CA C 42 33.953 53.330 -19.377 1
1 310 . 9 1 1 S 33 33 LEU CB C 42 45.122 44.461 0.661 1
1 314 . 9 1 1 S 33 33 LEU N N 42 114.709 117.138 -2.429 1
1 315 . 9 1 1 S 34 34 THR H H 43 9.549 8.700 0.849 1
1 316 . 9 1 1 S 34 34 THR HA H 43 4.319 4.564 -0.245 1
1 322 . 9 1 1 S 34 34 THR CA C 43 42.615 62.598 -19.983 1
1 323 . 9 1 1 S 34 34 THR CB C 43 34.267 69.240 -34.973 1
1 325 . 9 1 1 S 34 34 THR N N 43 115.172 118.343 -3.171 1
1 326 . 9 1 1 S 35 35 ASP H H 44 9.173 9.190 -0.017 1
1 327 . 9 1 1 S 35 35 ASP HA H 44 4.361 4.439 -0.078 1
1 330 . 9 1 1 S 35 35 ASP CA C 44 39.549 57.014 -17.465 1
1 331 . 9 1 1 S 35 35 ASP CB C 44 39.585 40.143 -0.558 1
1 332 . 9 1 1 S 35 35 ASP N N 44 122.339 126.007 -3.668 1
1 333 . 9 1 1 S 36 36 GLU H H 45 8.781 8.341 0.440 1
1 334 . 9 1 1 S 36 36 GLU HA H 45 4.119 4.163 -0.044 1
1 339 . 9 1 1 S 36 36 GLU CA C 45 41.388 58.985 -17.597 1
1 340 . 9 1 1 S 36 36 GLU CB C 45 29.301 29.530 -0.229 1
1 342 . 9 1 1 S 36 36 GLU N N 45 118.640 120.002 -1.362 1
1 343 . 9 1 1 S 37 37 ASP H H 46 7.864 8.117 -0.253 1
1 344 . 9 1 1 S 37 37 ASP HA H 46 4.726 4.474 0.252 1
1 347 . 9 1 1 S 37 37 ASP CA C 46 38.055 57.198 -19.143 1
1 348 . 9 1 1 S 37 37 ASP CB C 46 41.567 40.499 1.068 1
1 349 . 9 1 1 S 37 37 ASP N N 46 121.646 120.494 1.152 1
1 350 . 9 1 1 S 38 38 PHE H H 47 9.196 9.471 -0.275 1
1 351 . 9 1 1 S 38 38 PHE HA H 47 3.753 4.017 -0.264 1
1 357 . 9 1 1 S 38 38 PHE CA C 47 43.221 61.097 -17.876 1
1 358 . 9 1 1 S 38 38 PHE CB C 47 40.280 39.008 1.272 1
1 359 . 9 1 1 S 38 38 PHE N N 47 122.802 119.907 2.895 1
1 360 . 9 1 1 S 39 39 GLU H H 48 8.496 9.112 -0.616 1
1 361 . 9 1 1 S 39 39 GLU HA H 48 4.413 4.213 0.200 1
1 365 . 9 1 1 S 39 39 GLU CA C 48 40.140 58.931 -18.791 1
1 366 . 9 1 1 S 39 39 GLU CB C 48 29.498 29.428 0.070 1
1 368 . 9 1 1 S 39 39 GLU N N 48 118.177 118.842 -0.665 1
1 369 . 9 1 1 S 40 40 PHE H H 49 7.898 8.466 -0.568 1
1 370 . 9 1 1 S 40 40 PHE HA H 49 4.320 4.206 0.114 1
1 376 . 9 1 1 S 40 40 PHE CA C 49 41.713 60.640 -18.927 1
1 377 . 9 1 1 S 40 40 PHE CB C 49 39.847 39.355 0.492 1
1 378 . 9 1 1 S 40 40 PHE N N 49 119.565 122.482 -2.917 1
1 379 . 9 1 1 S 41 41 ALA H H 50 8.637 8.491 0.146 1
1 380 . 9 1 1 S 41 41 ALA HA H 50 3.947 4.379 -0.432 1
1 384 . 9 1 1 S 41 41 ALA CA C 50 35.451 52.957 -17.506 1
1 385 . 9 1 1 S 41 41 ALA CB C 50 39.091 19.572 19.519 1
1 386 . 9 1 1 S 41 41 ALA N N 50 119.565 121.638 -2.073 1
1 387 . 9 1 1 S 42 42 LEU H H 51 8.275 7.443 0.832 1
1 388 . 9 1 1 S 42 42 LEU HA H 51 4.142 4.505 -0.363 1
1 397 . 9 1 1 S 42 42 LEU CA C 51 35.946 54.230 -18.284 1
1 398 . 9 1 1 S 42 42 LEU CB C 51 41.238 43.689 -2.451 1
1 402 . 9 1 1 S 42 42 LEU N N 51 113.553 114.638 -1.085 1
1 403 . 9 1 1 S 43 43 ASP H H 52 7.841 8.065 -0.224 1
1 404 . 9 1 1 S 43 43 ASP HA H 52 4.483 4.690 -0.207 1
1 407 . 9 1 1 S 43 43 ASP CA C 52 36.572 55.500 -18.928 1
1 408 . 9 1 1 S 43 43 ASP CB C 52 39.869 39.425 0.444 1
1 409 . 9 1 1 S 43 43 ASP N N 52 115.865 117.250 -1.385 1
1 410 . 9 1 1 S 44 44 MET H H 53 7.424 7.411 0.013 1
1 411 . 9 1 1 S 44 44 MET HA H 53 4.753 4.788 -0.035 1
1 419 . 9 1 1 S 44 44 MET CA C 53 36.030 53.305 -17.275 1
1 420 . 9 1 1 S 44 44 MET CB C 53 34.947 35.607 -0.660 1
1 422 . 9 1 1 S 44 44 MET N N 53 111.703 117.101 -5.398 1
1 423 . 9 1 1 S 45 45 THR H H 54 8.372 7.986 0.386 1
1 424 . 9 1 1 S 45 45 THR HA H 54 4.526 4.440 0.086 1
1 429 . 9 1 1 S 45 45 THR CA C 54 41.951 58.701 -16.750 1
1 430 . 9 1 1 S 45 45 THR CB C 54 33.933 71.611 -37.678 1
1 432 . 9 1 1 S 45 45 THR N N 54 107.079 110.040 -2.961 1
1 433 . 9 1 1 S 46 46 ARG H H 55 8.999 8.503 0.496 1
1 434 . 9 1 1 S 46 46 ARG HA H 55 3.469 3.634 -0.165 1
1 441 . 9 1 1 S 46 46 ARG CA C 55 41.154 58.850 -17.696 1
1 442 . 9 1 1 S 46 46 ARG CB C 55 29.806 30.038 -0.232 1
1 445 . 9 1 1 S 46 46 ARG N N 55 122.570 121.717 0.853 1
1 447 . 9 1 1 S 47 47 ASP H H 56 8.199 7.945 0.254 1
1 448 . 9 1 1 S 47 47 ASP HA H 56 4.334 4.414 -0.080 1
1 451 . 9 1 1 S 47 47 ASP CB C 56 40.724 41.148 -0.424 1
1 452 . 9 1 1 S 47 47 ASP N N 56 116.559 117.503 -0.944 1
1 453 . 9 1 1 S 48 48 GLU H H 57 7.547 7.885 -0.338 1
1 454 . 9 1 1 S 48 48 GLU HA H 57 3.920 4.156 -0.236 1
1 458 . 9 1 1 S 48 48 GLU CA C 57 40.418 58.376 -17.958 1
1 459 . 9 1 1 S 48 48 GLU CB C 57 29.932 30.308 -0.376 1
1 461 . 9 1 1 S 48 48 GLU N N 57 120.721 119.466 1.255 1
1 462 . 9 1 1 S 49 49 TYR H H 58 8.535 8.265 0.270 1
1 463 . 9 1 1 S 49 49 TYR HA H 58 4.181 4.113 0.068 1
1 468 . 9 1 1 S 49 49 TYR CA C 58 42.353 61.139 -18.786 1
1 469 . 9 1 1 S 49 49 TYR CB C 58 39.530 37.335 2.195 1
1 470 . 9 1 1 S 49 49 TYR N N 58 122.570 119.698 2.872 1
1 471 . 9 1 1 S 50 50 ASN H H 59 8.869 8.370 0.499 1
1 472 . 9 1 1 S 50 50 ASN HA H 59 4.293 4.506 -0.213 1
1 476 . 9 1 1 S 50 50 ASN CA C 59 35.728 56.195 -20.467 1
1 477 . 9 1 1 S 50 50 ASN CB C 59 38.117 38.402 -0.285 1
1 478 . 9 1 1 S 50 50 ASN N N 59 117.484 117.594 -0.110 1
1 480 . 9 1 1 S 51 51 ALA H H 60 7.146 7.348 -0.202 1
1 481 . 9 1 1 S 51 51 ALA HA H 60 4.342 4.404 -0.062 1
1 485 . 9 1 1 S 51 51 ALA CA C 60 33.070 52.300 -19.230 1
1 486 . 9 1 1 S 51 51 ALA CB C 60 38.063 20.299 17.764 1
1 487 . 9 1 1 S 51 51 ALA N N 60 120.027 120.079 -0.052 1
1 488 . 9 1 1 S 52 52 LEU H H 61 7.396 7.451 -0.055 1
1 489 . 9 1 1 S 52 52 LEU HA H 61 4.338 4.373 -0.035 1
1 499 . 9 1 1 S 52 52 LEU CA C 61 33.941 53.668 -19.727 1
1 500 . 9 1 1 S 52 52 LEU CB C 61 42.540 40.852 1.688 1
1 504 . 9 1 1 S 52 52 LEU N N 61 121.183 121.687 -0.504 1
1 505 . 9 1 1 S 53 53 PRO HA H 62 4.381 4.456 -0.075 1
1 512 . 9 1 1 S 53 53 PRO CA C 62 43.181 62.720 -19.539 1
1 513 . 9 1 1 S 53 53 PRO CB C 62 32.503 32.414 0.089 1
1 516 . 9 1 1 S 54 54 ALA H H 63 8.847 8.522 0.325 1
1 517 . 9 1 1 S 54 54 ALA HA H 63 3.953 3.991 -0.038 1
1 521 . 9 1 1 S 54 54 ALA CA C 63 36.779 54.131 -17.352 1
1 522 . 9 1 1 S 54 54 ALA CB C 63 36.769 18.816 17.953 1
1 523 . 9 1 1 S 54 54 ALA N N 63 126.270 124.997 1.273 1
1 524 . 9 1 1 S 55 55 TRP H H 64 7.875 7.923 -0.048 1
1 525 . 9 1 1 S 55 55 TRP HA H 64 4.378 4.391 -0.013 1
1 534 . 9 1 1 S 55 55 TRP CA C 64 39.808 60.041 -20.233 1
1 535 . 9 1 1 S 55 55 TRP CB C 64 45.794 29.090 16.704 1
1 536 . 9 1 1 S 55 55 TRP N N 64 113.553 120.411 -6.858 1
1 538 . 9 1 1 S 56 56 LYS H H 65 6.197 7.625 -1.428 1
1 539 . 9 1 1 S 56 56 LYS HA H 65 3.631 2.384 1.247 1
1 547 . 9 1 1 S 56 56 LYS CA C 65 39.976 58.827 -18.851 1
1 548 . 9 1 1 S 56 56 LYS CB C 65 32.615 31.366 1.249 1
1 551 . 9 1 1 S 56 56 LYS N N 65 122.802 121.058 1.744 1
1 552 . 9 1 1 S 57 57 GLN H H 66 7.521 7.748 -0.227 1
1 553 . 9 1 1 S 57 57 GLN HA H 66 3.585 3.230 0.355 1
1 560 . 9 1 1 S 57 57 GLN CA C 66 40.775 57.920 -17.145 1
1 561 . 9 1 1 S 57 57 GLN CB C 66 46.154 27.687 18.467 1
1 563 . 9 1 1 S 57 57 GLN N N 66 120.480 117.546 2.934 1
1 565 . 9 1 1 S 58 58 VAL H H 67 7.775 7.845 -0.070 1
1 566 . 9 1 1 S 58 58 VAL HA H 67 3.197 3.509 -0.312 1
1 574 . 9 1 1 S 58 58 VAL CA C 67 29.564 66.091 -36.527 1
1 575 . 9 1 1 S 58 58 VAL CB C 67 31.723 31.713 0.010 1
1 578 . 9 1 1 S 58 58 VAL N N 67 117.021 120.941 -3.920 1
1 579 . 9 1 1 S 59 59 ASN H H 68 7.497 9.259 -1.762 1
1 580 . 9 1 1 S 59 59 ASN HA H 68 4.310 4.488 -0.178 1
1 584 . 9 1 1 S 59 59 ASN CA C 68 37.310 56.506 -19.196 1
1 585 . 9 1 1 S 59 59 ASN CB C 68 37.866 38.212 -0.346 1
1 586 . 9 1 1 S 59 59 ASN N N 68 118.177 118.648 -0.471 1
1 588 . 9 1 1 S 60 60 LEU H H 69 8.144 7.372 0.772 1
1 589 . 9 1 1 S 60 60 LEU HA H 69 4.226 4.160 0.066 1
1 599 . 9 1 1 S 60 60 LEU CA C 69 39.078 56.463 -17.385 1
1 600 . 9 1 1 S 60 60 LEU CB C 69 42.244 41.928 0.316 1
1 603 . 9 1 1 S 60 60 LEU N N 69 122.570 120.482 2.088 1
1 604 . 9 1 1 S 61 61 LYS H H 70 8.190 8.086 0.104 1
1 605 . 9 1 1 S 61 61 LYS HA H 70 3.610 3.960 -0.350 1
1 611 . 9 1 1 S 61 61 LYS CA C 70 43.383 60.429 -17.046 1
1 612 . 9 1 1 S 61 61 LYS CB C 70 32.375 32.358 0.017 1
1 614 . 9 1 1 S 61 61 LYS N N 70 116.790 120.021 -3.231 1
1 615 . 9 1 1 S 62 62 LYS H H 71 8.863 8.228 0.635 1
1 616 . 9 1 1 S 62 62 LYS HA H 71 4.121 4.176 -0.055 1
1 623 . 9 1 1 S 62 62 LYS CA C 71 41.331 59.774 -18.443 1
1 624 . 9 1 1 S 62 62 LYS CB C 71 32.973 32.486 0.487 1
1 628 . 9 1 1 S 62 62 LYS N N 71 119.102 119.660 -0.558 1
1 629 . 9 1 1 S 63 63 ALA H H 72 7.734 7.789 -0.055 1
1 630 . 9 1 1 S 63 63 ALA HA H 72 4.211 4.007 0.204 1
1 634 . 9 1 1 S 63 63 ALA CA C 72 35.710 54.981 -19.271 1
1 635 . 9 1 1 S 63 63 ALA CB C 72 37.243 18.580 18.663 1
1 636 . 9 1 1 S 63 63 ALA N N 72 121.414 122.202 -0.788 1
1 637 . 9 1 1 S 64 64 LYS H H 73 7.546 7.589 -0.043 1
1 638 . 9 1 1 S 64 64 LYS HA H 73 4.468 4.382 0.086 1
1 644 . 9 1 1 S 64 64 LYS CA C 73 34.628 56.795 -22.167 1
1 645 . 9 1 1 S 64 64 LYS CB C 73 32.588 33.073 -0.485 1
1 646 . 9 1 1 S 64 64 LYS N N 73 114.016 115.989 -1.973 1
1 647 . 9 1 1 S 65 65 GLY H H 74 7.508 8.210 -0.702 1
1 648 . 9 1 1 S 65 65 GLY HA2 H 74 4.260 4.072 0.188 1
1 649 . 9 1 1 S 65 65 GLY HA3 H 74 4.012 4.078 -0.066 1
1 650 . 9 1 1 S 65 65 GLY CA C 74 46.235 45.067 1.168 1
1 651 . 9 1 1 S 65 65 GLY N N 74 105.692 107.096 -1.404 1
1 652 . 9 1 1 S 66 66 LEU H H 75 8.400 8.220 0.180 1
1 653 . 9 1 1 S 66 66 LEU HA H 75 4.519 4.397 0.122 1
1 663 . 9 1 1 S 66 66 LEU CA C 75 34.331 56.396 -22.065 1
1 664 . 9 1 1 S 66 66 LEU CB C 75 42.886 42.751 0.135 1
1 668 . 9 1 1 S 66 66 LEU N N 75 120.952 118.670 2.282 1
1 1 . 10 1 1 S 6 6 CYS HA H 15 4.540 5.037 -0.497 1
1 4 . 10 1 1 S 6 6 CYS CB C 15 28.556 30.529 -1.973 1
1 5 . 10 1 1 S 7 7 LYS HA H 16 4.376 4.901 -0.525 1
1 8 . 10 1 1 S 7 7 LYS CA C 16 37.775 55.436 -17.661 1
1 9 . 10 1 1 S 7 7 LYS CB C 16 33.150 33.270 -0.120 1
1 10 . 10 1 1 S 8 8 THR H H 17 8.305 8.892 -0.587 1
1 11 . 10 1 1 S 8 8 THR HA H 17 4.320 5.052 -0.732 1
1 16 . 10 1 1 S 8 8 THR CA C 17 44.017 60.632 -16.615 1
1 17 . 10 1 1 S 8 8 THR CB C 17 31.886 71.865 -39.979 1
1 19 . 10 1 1 S 8 8 THR N N 17 115.400 117.070 -1.670 1
1 20 . 10 1 1 S 9 9 ILE H H 18 7.450 8.815 -1.365 1
1 21 . 10 1 1 S 9 9 ILE HA H 18 5.077 4.621 0.456 1
1 31 . 10 1 1 S 9 9 ILE CA C 18 38.964 60.152 -21.188 1
1 32 . 10 1 1 S 9 9 ILE CB C 18 40.553 40.047 0.506 1
1 36 . 10 1 1 S 9 9 ILE N N 18 122.802 129.413 -6.611 1
1 37 . 10 1 1 S 10 10 TYR H H 19 9.151 8.499 0.652 1
1 38 . 10 1 1 S 10 10 TYR HA H 19 4.927 4.832 0.095 1
1 43 . 10 1 1 S 10 10 TYR CB C 19 41.335 39.083 2.252 1
1 44 . 10 1 1 S 10 10 TYR N N 19 124.420 129.536 -5.116 1
1 45 . 10 1 1 S 11 11 PRO HA H 20 4.496 4.465 0.031 1
1 52 . 10 1 1 S 11 11 PRO CA C 20 43.576 63.109 -19.533 1
1 53 . 10 1 1 S 11 11 PRO CB C 20 32.801 31.928 0.873 1
1 55 . 10 1 1 S 12 12 LEU H H 21 7.790 8.279 -0.489 1
1 56 . 10 1 1 S 12 12 LEU HA H 21 3.896 3.968 -0.072 1
1 66 . 10 1 1 S 12 12 LEU CA C 21 39.620 57.819 -18.199 1
1 67 . 10 1 1 S 12 12 LEU CB C 21 42.245 41.804 0.441 1
1 71 . 10 1 1 S 12 12 LEU N N 21 123.727 124.878 -1.151 1
1 72 . 10 1 1 S 13 13 ALA H H 22 8.995 8.355 0.640 1
1 73 . 10 1 1 S 13 13 ALA HA H 22 3.943 4.042 -0.099 1
1 77 . 10 1 1 S 13 13 ALA CA C 22 36.717 55.517 -18.800 1
1 78 . 10 1 1 S 13 13 ALA CB C 22 37.456 18.368 19.088 1
1 79 . 10 1 1 S 13 13 ALA N N 22 116.790 121.716 -4.926 1
1 80 . 10 1 1 S 14 14 ASP H H 23 7.393 8.291 -0.898 1
1 81 . 10 1 1 S 14 14 ASP HA H 23 4.387 4.365 0.022 1
1 84 . 10 1 1 S 14 14 ASP CB C 23 40.902 40.318 0.584 1
1 85 . 10 1 1 S 14 14 ASP N N 23 115.403 118.580 -3.177 1
1 86 . 10 1 1 S 15 15 LEU H H 24 7.452 7.353 0.099 1
1 87 . 10 1 1 S 15 15 LEU HA H 24 4.281 4.517 -0.236 1
1 97 . 10 1 1 S 15 15 LEU CA C 24 35.761 54.950 -19.189 1
1 98 . 10 1 1 S 15 15 LEU CB C 24 41.179 43.084 -1.905 1
1 101 . 10 1 1 S 15 15 LEU N N 24 116.328 113.646 2.682 1
1 102 . 10 1 1 S 16 16 LEU H H 25 7.396 8.372 -0.976 1
1 103 . 10 1 1 S 16 16 LEU HA H 25 4.350 4.115 0.235 1
1 112 . 10 1 1 S 16 16 LEU CA C 25 36.365 57.538 -21.173 1
1 113 . 10 1 1 S 16 16 LEU CB C 25 42.493 42.085 0.408 1
1 116 . 10 1 1 S 16 16 LEU N N 25 116.790 121.280 -4.490 1
1 117 . 10 1 1 S 17 17 ALA H H 26 6.894 7.432 -0.538 1
1 118 . 10 1 1 S 17 17 ALA HA H 26 4.349 4.582 -0.233 1
1 122 . 10 1 1 S 17 17 ALA CB C 26 39.296 19.485 19.811 1
1 123 . 10 1 1 S 17 17 ALA N N 26 122.802 119.685 3.117 1
1 124 . 10 1 1 S 18 18 ARG H H 27 8.019 7.513 0.506 1
1 125 . 10 1 1 S 18 18 ARG HA H 27 4.429 4.940 -0.511 1
1 132 . 10 1 1 S 18 18 ARG CA C 27 32.436 54.008 -21.572 1
1 133 . 10 1 1 S 18 18 ARG CB C 27 31.405 32.988 -1.583 1
1 136 . 10 1 1 S 18 18 ARG N N 27 116.328 114.558 1.770 1
1 137 . 10 1 1 S 19 19 PRO HA H 28 4.483 4.461 0.022 1
1 144 . 10 1 1 S 19 19 PRO CA C 28 43.719 62.380 -18.661 1
1 145 . 10 1 1 S 19 19 PRO CB C 28 35.007 29.444 5.563 1
1 148 . 10 1 1 S 20 20 LEU H H 29 8.634 8.564 0.070 1
1 149 . 10 1 1 S 20 20 LEU HA H 29 4.286 4.546 -0.260 1
1 159 . 10 1 1 S 20 20 LEU CA C 29 34.887 53.282 -18.395 1
1 160 . 10 1 1 S 20 20 LEU CB C 29 42.067 41.906 0.161 1
1 163 . 10 1 1 S 20 20 LEU N N 29 123.033 120.420 2.613 1
1 164 . 10 1 1 S 21 21 PRO HA H 30 4.273 4.559 -0.286 1
1 171 . 10 1 1 S 21 21 PRO CA C 30 43.649 62.329 -18.680 1
1 172 . 10 1 1 S 21 21 PRO CB C 30 31.638 33.222 -1.584 1
1 175 . 10 1 1 S 22 22 GLU H H 31 8.522 8.914 -0.392 1
1 176 . 10 1 1 S 22 22 GLU HA H 31 3.988 4.328 -0.340 1
1 180 . 10 1 1 S 22 22 GLU CA C 31 39.044 58.677 -19.633 1
1 181 . 10 1 1 S 22 22 GLU CB C 31 29.490 29.772 -0.282 1
1 183 . 10 1 1 S 22 22 GLU N N 31 123.264 121.144 2.120 1
1 184 . 10 1 1 S 23 23 GLY H H 32 8.783 8.498 0.285 1
1 185 . 10 1 1 S 23 23 GLY HA2 H 32 4.177 4.010 0.167 1
1 186 . 10 1 1 S 23 23 GLY HA3 H 32 3.697 4.048 -0.351 1
1 187 . 10 1 1 S 23 23 GLY CA C 32 45.506 47.152 -1.646 1
1 188 . 10 1 1 S 23 23 GLY N N 32 111.472 108.044 3.428 1
1 189 . 10 1 1 S 24 24 VAL H H 33 6.850 7.945 -1.095 1
1 190 . 10 1 1 S 24 24 VAL HA H 33 3.805 4.051 -0.246 1
1 198 . 10 1 1 S 24 24 VAL CA C 33 42.632 62.857 -20.225 1
1 199 . 10 1 1 S 24 24 VAL CB C 33 32.321 31.516 0.805 1
1 202 . 10 1 1 S 24 24 VAL N N 33 117.021 120.545 -3.524 1
1 203 . 10 1 1 S 25 25 ASP H H 34 8.276 9.133 -0.857 1
1 206 . 10 1 1 S 25 25 ASP CB C 34 41.766 41.025 0.741 1
1 207 . 10 1 1 S 25 25 ASP N N 34 126.270 128.816 -2.546 1
1 208 . 10 1 1 S 26 26 PRO HA H 35 4.082 4.441 -0.359 1
1 215 . 10 1 1 S 26 26 PRO CA C 35 44.876 65.515 -20.639 1
1 216 . 10 1 1 S 26 26 PRO CB C 35 32.282 32.128 0.154 1
1 219 . 10 1 1 S 27 27 LEU H H 36 8.583 8.311 0.272 1
1 220 . 10 1 1 S 27 27 LEU HA H 36 4.361 4.159 0.202 1
1 230 . 10 1 1 S 27 27 LEU CA C 36 36.955 55.684 -18.729 1
1 231 . 10 1 1 S 27 27 LEU CB C 36 41.466 41.302 0.164 1
1 235 . 10 1 1 S 27 27 LEU N N 36 118.640 114.678 3.962 1
1 236 . 10 1 1 S 28 28 LYS H H 37 7.838 7.770 0.068 1
1 237 . 10 1 1 S 28 28 LYS HA H 37 5.037 4.896 0.141 1
1 243 . 10 1 1 S 28 28 LYS CA C 37 35.415 55.179 -19.764 1
1 244 . 10 1 1 S 28 28 LYS CB C 37 33.967 32.792 1.175 1
1 247 . 10 1 1 S 28 28 LYS N N 37 120.258 117.553 2.705 1
1 248 . 10 1 1 S 29 29 LEU H H 38 8.203 8.115 0.088 1
1 249 . 10 1 1 S 29 29 LEU HA H 38 4.266 2.820 1.446 1
1 259 . 10 1 1 S 29 29 LEU CA C 38 39.317 56.998 -17.681 1
1 262 . 10 1 1 S 29 29 LEU N N 38 117.021 124.111 -7.090 1
1 263 . 10 1 1 S 30 30 GLU H H 39 10.041 7.647 2.394 1
1 264 . 10 1 1 S 30 30 GLU HA H 39 4.086 3.553 0.533 1
1 269 . 10 1 1 S 30 30 GLU CA C 39 39.629 58.392 -18.763 1
1 270 . 10 1 1 S 30 30 GLU CB C 39 45.835 28.239 17.596 1
1 272 . 10 1 1 S 30 30 GLU N N 39 114.478 116.904 -2.426 1
1 273 . 10 1 1 S 31 31 ILE H H 40 7.920 7.398 0.522 1
1 274 . 10 1 1 S 31 31 ILE HA H 40 4.266 3.681 0.585 1
1 284 . 10 1 1 S 31 31 ILE CA C 40 44.411 64.985 -20.574 1
1 285 . 10 1 1 S 31 31 ILE CB C 40 37.472 37.771 -0.299 1
1 289 . 10 1 1 S 31 31 ILE N N 40 116.790 120.796 -4.006 1
1 290 . 10 1 1 S 32 32 TYR H H 41 7.426 7.267 0.159 1
1 291 . 10 1 1 S 32 32 TYR HA H 41 4.928 4.456 0.472 1
1 296 . 10 1 1 S 32 32 TYR CB C 41 39.324 38.888 0.436 1
1 297 . 10 1 1 S 32 32 TYR N N 41 119.565 118.231 1.334 1
1 298 . 10 1 1 S 33 33 LEU H H 42 6.749 7.170 -0.421 1
1 299 . 10 1 1 S 33 33 LEU HA H 42 5.266 4.848 0.418 1
1 309 . 10 1 1 S 33 33 LEU CA C 42 33.953 53.374 -19.421 1
1 310 . 10 1 1 S 33 33 LEU CB C 42 45.122 44.588 0.534 1
1 314 . 10 1 1 S 33 33 LEU N N 42 114.709 117.416 -2.707 1
1 315 . 10 1 1 S 34 34 THR H H 43 9.549 8.674 0.875 1
1 316 . 10 1 1 S 34 34 THR HA H 43 4.319 4.623 -0.304 1
1 322 . 10 1 1 S 34 34 THR CA C 43 42.615 61.859 -19.244 1
1 323 . 10 1 1 S 34 34 THR CB C 43 34.267 70.133 -35.866 1
1 325 . 10 1 1 S 34 34 THR N N 43 115.172 118.390 -3.218 1
1 326 . 10 1 1 S 35 35 ASP H H 44 9.173 9.183 -0.010 1
1 327 . 10 1 1 S 35 35 ASP HA H 44 4.361 4.468 -0.107 1
1 330 . 10 1 1 S 35 35 ASP CA C 44 39.549 57.128 -17.579 1
1 331 . 10 1 1 S 35 35 ASP CB C 44 39.585 39.923 -0.338 1
1 332 . 10 1 1 S 35 35 ASP N N 44 122.339 123.364 -1.025 1
1 333 . 10 1 1 S 36 36 GLU H H 45 8.781 8.089 0.692 1
1 334 . 10 1 1 S 36 36 GLU HA H 45 4.119 4.116 0.003 1
1 339 . 10 1 1 S 36 36 GLU CA C 45 41.388 59.199 -17.811 1
1 340 . 10 1 1 S 36 36 GLU CB C 45 29.301 29.252 0.049 1
1 342 . 10 1 1 S 36 36 GLU N N 45 118.640 120.088 -1.448 1
1 343 . 10 1 1 S 37 37 ASP H H 46 7.864 8.044 -0.180 1
1 344 . 10 1 1 S 37 37 ASP HA H 46 4.726 4.462 0.264 1
1 347 . 10 1 1 S 37 37 ASP CA C 46 38.055 57.184 -19.129 1
1 348 . 10 1 1 S 37 37 ASP CB C 46 41.567 40.868 0.699 1
1 349 . 10 1 1 S 37 37 ASP N N 46 121.646 120.621 1.025 1
1 350 . 10 1 1 S 38 38 PHE H H 47 9.196 9.099 0.097 1
1 351 . 10 1 1 S 38 38 PHE HA H 47 3.753 4.102 -0.349 1
1 357 . 10 1 1 S 38 38 PHE CA C 47 43.221 61.320 -18.099 1
1 358 . 10 1 1 S 38 38 PHE CB C 47 40.280 38.922 1.358 1
1 359 . 10 1 1 S 38 38 PHE N N 47 122.802 119.689 3.113 1
1 360 . 10 1 1 S 39 39 GLU H H 48 8.496 9.512 -1.016 1
1 361 . 10 1 1 S 39 39 GLU HA H 48 4.413 3.996 0.417 1
1 365 . 10 1 1 S 39 39 GLU CA C 48 40.140 59.670 -19.530 1
1 366 . 10 1 1 S 39 39 GLU CB C 48 29.498 29.440 0.058 1
1 368 . 10 1 1 S 39 39 GLU N N 48 118.177 117.355 0.822 1
1 369 . 10 1 1 S 40 40 PHE H H 49 7.898 7.781 0.117 1
1 370 . 10 1 1 S 40 40 PHE HA H 49 4.320 4.348 -0.028 1
1 376 . 10 1 1 S 40 40 PHE CA C 49 41.713 60.128 -18.415 1
1 377 . 10 1 1 S 40 40 PHE CB C 49 39.847 39.462 0.385 1
1 378 . 10 1 1 S 40 40 PHE N N 49 119.565 119.334 0.231 1
1 379 . 10 1 1 S 41 41 ALA H H 50 8.637 7.870 0.767 1
1 380 . 10 1 1 S 41 41 ALA HA H 50 3.947 4.437 -0.490 1
1 384 . 10 1 1 S 41 41 ALA CA C 50 35.451 53.693 -18.242 1
1 385 . 10 1 1 S 41 41 ALA CB C 50 39.091 19.864 19.227 1
1 386 . 10 1 1 S 41 41 ALA N N 50 119.565 121.936 -2.371 1
1 387 . 10 1 1 S 42 42 LEU H H 51 8.275 8.459 -0.184 1
1 388 . 10 1 1 S 42 42 LEU HA H 51 4.142 4.489 -0.347 1
1 397 . 10 1 1 S 42 42 LEU CA C 51 35.946 54.137 -18.191 1
1 398 . 10 1 1 S 42 42 LEU CB C 51 41.238 43.378 -2.140 1
1 402 . 10 1 1 S 42 42 LEU N N 51 113.553 115.147 -1.594 1
1 403 . 10 1 1 S 43 43 ASP H H 52 7.841 8.443 -0.602 1
1 404 . 10 1 1 S 43 43 ASP HA H 52 4.483 4.661 -0.178 1
1 407 . 10 1 1 S 43 43 ASP CA C 52 36.572 55.520 -18.948 1
1 408 . 10 1 1 S 43 43 ASP CB C 52 39.869 39.487 0.382 1
1 409 . 10 1 1 S 43 43 ASP N N 52 115.865 117.411 -1.546 1
1 410 . 10 1 1 S 44 44 MET H H 53 7.424 7.605 -0.181 1
1 411 . 10 1 1 S 44 44 MET HA H 53 4.753 4.728 0.025 1
1 419 . 10 1 1 S 44 44 MET CA C 53 36.030 53.003 -16.973 1
1 420 . 10 1 1 S 44 44 MET CB C 53 34.947 34.620 0.327 1
1 422 . 10 1 1 S 44 44 MET N N 53 111.703 117.544 -5.841 1
1 423 . 10 1 1 S 45 45 THR H H 54 8.372 7.785 0.587 1
1 424 . 10 1 1 S 45 45 THR HA H 54 4.526 4.512 0.014 1
1 429 . 10 1 1 S 45 45 THR CA C 54 41.951 59.023 -17.072 1
1 430 . 10 1 1 S 45 45 THR CB C 54 33.933 71.719 -37.786 1
1 432 . 10 1 1 S 45 45 THR N N 54 107.079 109.739 -2.660 1
1 433 . 10 1 1 S 46 46 ARG H H 55 8.999 8.535 0.464 1
1 434 . 10 1 1 S 46 46 ARG HA H 55 3.469 3.651 -0.182 1
1 441 . 10 1 1 S 46 46 ARG CA C 55 41.154 59.104 -17.950 1
1 442 . 10 1 1 S 46 46 ARG CB C 55 29.806 29.926 -0.120 1
1 445 . 10 1 1 S 46 46 ARG N N 55 122.570 122.309 0.261 1
1 447 . 10 1 1 S 47 47 ASP H H 56 8.199 7.978 0.221 1
1 448 . 10 1 1 S 47 47 ASP HA H 56 4.334 4.404 -0.070 1
1 451 . 10 1 1 S 47 47 ASP CB C 56 40.724 40.895 -0.171 1
1 452 . 10 1 1 S 47 47 ASP N N 56 116.559 117.446 -0.887 1
1 453 . 10 1 1 S 48 48 GLU H H 57 7.547 8.015 -0.468 1
1 454 . 10 1 1 S 48 48 GLU HA H 57 3.920 4.159 -0.239 1
1 458 . 10 1 1 S 48 48 GLU CA C 57 40.418 58.507 -18.089 1
1 459 . 10 1 1 S 48 48 GLU CB C 57 29.932 30.223 -0.291 1
1 461 . 10 1 1 S 48 48 GLU N N 57 120.721 119.477 1.244 1
1 462 . 10 1 1 S 49 49 TYR H H 58 8.535 8.009 0.526 1
1 463 . 10 1 1 S 49 49 TYR HA H 58 4.181 4.249 -0.068 1
1 468 . 10 1 1 S 49 49 TYR CA C 58 42.353 60.995 -18.642 1
1 469 . 10 1 1 S 49 49 TYR CB C 58 39.530 37.812 1.718 1
1 470 . 10 1 1 S 49 49 TYR N N 58 122.570 119.783 2.787 1
1 471 . 10 1 1 S 50 50 ASN H H 59 8.869 8.392 0.477 1
1 472 . 10 1 1 S 50 50 ASN HA H 59 4.293 4.497 -0.204 1
1 476 . 10 1 1 S 50 50 ASN CA C 59 35.728 55.941 -20.213 1
1 477 . 10 1 1 S 50 50 ASN CB C 59 38.117 38.507 -0.390 1
1 478 . 10 1 1 S 50 50 ASN N N 59 117.484 117.206 0.278 1
1 480 . 10 1 1 S 51 51 ALA H H 60 7.146 7.794 -0.648 1
1 481 . 10 1 1 S 51 51 ALA HA H 60 4.342 4.458 -0.116 1
1 485 . 10 1 1 S 51 51 ALA CA C 60 33.070 52.439 -19.369 1
1 486 . 10 1 1 S 51 51 ALA CB C 60 38.063 20.875 17.188 1
1 487 . 10 1 1 S 51 51 ALA N N 60 120.027 120.506 -0.479 1
1 488 . 10 1 1 S 52 52 LEU H H 61 7.396 7.425 -0.029 1
1 489 . 10 1 1 S 52 52 LEU HA H 61 4.338 4.420 -0.082 1
1 499 . 10 1 1 S 52 52 LEU CA C 61 33.941 53.722 -19.781 1
1 500 . 10 1 1 S 52 52 LEU CB C 61 42.540 40.946 1.594 1
1 504 . 10 1 1 S 52 52 LEU N N 61 121.183 121.720 -0.537 1
1 505 . 10 1 1 S 53 53 PRO HA H 62 4.381 4.516 -0.135 1
1 512 . 10 1 1 S 53 53 PRO CA C 62 43.181 62.647 -19.466 1
1 513 . 10 1 1 S 53 53 PRO CB C 62 32.503 32.475 0.028 1
1 516 . 10 1 1 S 54 54 ALA H H 63 8.847 8.570 0.277 1
1 517 . 10 1 1 S 54 54 ALA HA H 63 3.953 4.042 -0.089 1
1 521 . 10 1 1 S 54 54 ALA CA C 63 36.779 53.765 -16.986 1
1 522 . 10 1 1 S 54 54 ALA CB C 63 36.769 18.871 17.898 1
1 523 . 10 1 1 S 54 54 ALA N N 63 126.270 125.183 1.087 1
1 524 . 10 1 1 S 55 55 TRP H H 64 7.875 7.880 -0.005 1
1 525 . 10 1 1 S 55 55 TRP HA H 64 4.378 4.455 -0.077 1
1 534 . 10 1 1 S 55 55 TRP CA C 64 39.808 60.152 -20.344 1
1 535 . 10 1 1 S 55 55 TRP CB C 64 45.794 29.230 16.564 1
1 536 . 10 1 1 S 55 55 TRP N N 64 113.553 119.802 -6.249 1
1 538 . 10 1 1 S 56 56 LYS H H 65 6.197 7.711 -1.514 1
1 539 . 10 1 1 S 56 56 LYS HA H 65 3.631 2.460 1.171 1
1 547 . 10 1 1 S 56 56 LYS CA C 65 39.976 58.795 -18.819 1
1 548 . 10 1 1 S 56 56 LYS CB C 65 32.615 31.566 1.049 1
1 551 . 10 1 1 S 56 56 LYS N N 65 122.802 121.015 1.787 1
1 552 . 10 1 1 S 57 57 GLN H H 66 7.521 7.451 0.070 1
1 553 . 10 1 1 S 57 57 GLN HA H 66 3.585 3.244 0.341 1
1 560 . 10 1 1 S 57 57 GLN CA C 66 40.775 57.843 -17.068 1
1 561 . 10 1 1 S 57 57 GLN CB C 66 46.154 27.433 18.721 1
1 563 . 10 1 1 S 57 57 GLN N N 66 120.480 117.478 3.002 1
1 565 . 10 1 1 S 58 58 VAL H H 67 7.775 7.790 -0.015 1
1 566 . 10 1 1 S 58 58 VAL HA H 67 3.197 3.771 -0.574 1
1 574 . 10 1 1 S 58 58 VAL CA C 67 29.564 66.287 -36.723 1
1 575 . 10 1 1 S 58 58 VAL CB C 67 31.723 31.944 -0.221 1
1 578 . 10 1 1 S 58 58 VAL N N 67 117.021 120.545 -3.524 1
1 579 . 10 1 1 S 59 59 ASN H H 68 7.497 9.251 -1.754 1
1 580 . 10 1 1 S 59 59 ASN HA H 68 4.310 4.506 -0.196 1
1 584 . 10 1 1 S 59 59 ASN CA C 68 37.310 56.592 -19.282 1
1 585 . 10 1 1 S 59 59 ASN CB C 68 37.866 38.781 -0.915 1
1 586 . 10 1 1 S 59 59 ASN N N 68 118.177 118.716 -0.539 1
1 588 . 10 1 1 S 60 60 LEU H H 69 8.144 7.622 0.522 1
1 589 . 10 1 1 S 60 60 LEU HA H 69 4.226 4.149 0.077 1
1 599 . 10 1 1 S 60 60 LEU CA C 69 39.078 57.498 -18.420 1
1 600 . 10 1 1 S 60 60 LEU CB C 69 42.244 41.382 0.862 1
1 603 . 10 1 1 S 60 60 LEU N N 69 122.570 120.713 1.857 1
1 604 . 10 1 1 S 61 61 LYS H H 70 8.190 8.181 0.009 1
1 605 . 10 1 1 S 61 61 LYS HA H 70 3.610 3.825 -0.215 1
1 611 . 10 1 1 S 61 61 LYS CA C 70 43.383 60.450 -17.067 1
1 612 . 10 1 1 S 61 61 LYS CB C 70 32.375 32.425 -0.050 1
1 614 . 10 1 1 S 61 61 LYS N N 70 116.790 118.841 -2.051 1
1 615 . 10 1 1 S 62 62 LYS H H 71 8.863 8.156 0.707 1
1 616 . 10 1 1 S 62 62 LYS HA H 71 4.121 4.141 -0.020 1
1 623 . 10 1 1 S 62 62 LYS CA C 71 41.331 59.236 -17.905 1
1 624 . 10 1 1 S 62 62 LYS CB C 71 32.973 32.075 0.898 1
1 628 . 10 1 1 S 62 62 LYS N N 71 119.102 119.222 -0.120 1
1 629 . 10 1 1 S 63 63 ALA H H 72 7.734 8.001 -0.267 1
1 630 . 10 1 1 S 63 63 ALA HA H 72 4.211 4.059 0.152 1
1 634 . 10 1 1 S 63 63 ALA CA C 72 35.710 54.782 -19.072 1
1 635 . 10 1 1 S 63 63 ALA CB C 72 37.243 18.332 18.911 1
1 636 . 10 1 1 S 63 63 ALA N N 72 121.414 121.446 -0.032 1
1 637 . 10 1 1 S 64 64 LYS H H 73 7.546 7.825 -0.279 1
1 638 . 10 1 1 S 64 64 LYS HA H 73 4.468 4.380 0.088 1
1 644 . 10 1 1 S 64 64 LYS CA C 73 34.628 56.851 -22.223 1
1 645 . 10 1 1 S 64 64 LYS CB C 73 32.588 33.312 -0.724 1
1 646 . 10 1 1 S 64 64 LYS N N 73 114.016 116.440 -2.424 1
1 647 . 10 1 1 S 65 65 GLY H H 74 7.508 8.040 -0.532 1
1 648 . 10 1 1 S 65 65 GLY HA2 H 74 4.260 4.097 0.163 1
1 649 . 10 1 1 S 65 65 GLY HA3 H 74 4.012 4.109 -0.097 1
1 650 . 10 1 1 S 65 65 GLY CA C 74 46.235 45.166 1.069 1
1 651 . 10 1 1 S 65 65 GLY N N 74 105.692 107.496 -1.804 1
1 652 . 10 1 1 S 66 66 LEU H H 75 8.400 7.952 0.448 1
1 653 . 10 1 1 S 66 66 LEU HA H 75 4.519 4.044 0.475 1
1 663 . 10 1 1 S 66 66 LEU CA C 75 34.331 58.359 -24.028 1
1 664 . 10 1 1 S 66 66 LEU CB C 75 42.886 41.736 1.150 1
1 668 . 10 1 1 S 66 66 LEU N N 75 120.952 122.339 -1.387 1
1 1 . 11 1 1 S 6 6 CYS HA H 15 4.540 5.100 -0.560 1
1 4 . 11 1 1 S 6 6 CYS CB C 15 28.556 30.528 -1.972 1
1 5 . 11 1 1 S 7 7 LYS HA H 16 4.376 4.643 -0.267 1
1 8 . 11 1 1 S 7 7 LYS CA C 16 37.775 56.685 -18.910 1
1 9 . 11 1 1 S 7 7 LYS CB C 16 33.150 33.372 -0.222 1
1 10 . 11 1 1 S 8 8 THR H H 17 8.305 8.765 -0.460 1
1 11 . 11 1 1 S 8 8 THR HA H 17 4.320 4.756 -0.436 1
1 16 . 11 1 1 S 8 8 THR CA C 17 44.017 61.866 -17.849 1
1 17 . 11 1 1 S 8 8 THR CB C 17 31.886 70.877 -38.991 1
1 19 . 11 1 1 S 8 8 THR N N 17 115.400 117.550 -2.150 1
1 20 . 11 1 1 S 9 9 ILE H H 18 7.450 8.818 -1.368 1
1 21 . 11 1 1 S 9 9 ILE HA H 18 5.077 4.647 0.430 1
1 31 . 11 1 1 S 9 9 ILE CA C 18 38.964 60.522 -21.558 1
1 32 . 11 1 1 S 9 9 ILE CB C 18 40.553 38.476 2.077 1
1 36 . 11 1 1 S 9 9 ILE N N 18 122.802 127.868 -5.066 1
1 37 . 11 1 1 S 10 10 TYR H H 19 9.151 8.345 0.806 1
1 38 . 11 1 1 S 10 10 TYR HA H 19 4.927 4.816 0.111 1
1 43 . 11 1 1 S 10 10 TYR CB C 19 41.335 39.075 2.260 1
1 44 . 11 1 1 S 10 10 TYR N N 19 124.420 127.627 -3.207 1
1 45 . 11 1 1 S 11 11 PRO HA H 20 4.496 4.482 0.014 1
1 52 . 11 1 1 S 11 11 PRO CA C 20 43.576 63.041 -19.465 1
1 53 . 11 1 1 S 11 11 PRO CB C 20 32.801 31.725 1.076 1
1 55 . 11 1 1 S 12 12 LEU H H 21 7.790 8.245 -0.455 1
1 56 . 11 1 1 S 12 12 LEU HA H 21 3.896 3.987 -0.091 1
1 66 . 11 1 1 S 12 12 LEU CA C 21 39.620 57.820 -18.200 1
1 67 . 11 1 1 S 12 12 LEU CB C 21 42.245 41.696 0.549 1
1 71 . 11 1 1 S 12 12 LEU N N 21 123.727 124.893 -1.166 1
1 72 . 11 1 1 S 13 13 ALA H H 22 8.995 8.387 0.608 1
1 73 . 11 1 1 S 13 13 ALA HA H 22 3.943 4.012 -0.069 1
1 77 . 11 1 1 S 13 13 ALA CA C 22 36.717 55.315 -18.598 1
1 78 . 11 1 1 S 13 13 ALA CB C 22 37.456 18.026 19.430 1
1 79 . 11 1 1 S 13 13 ALA N N 22 116.790 121.605 -4.815 1
1 80 . 11 1 1 S 14 14 ASP H H 23 7.393 8.120 -0.727 1
1 81 . 11 1 1 S 14 14 ASP HA H 23 4.387 4.390 -0.003 1
1 84 . 11 1 1 S 14 14 ASP CB C 23 40.902 40.368 0.534 1
1 85 . 11 1 1 S 14 14 ASP N N 23 115.403 118.854 -3.451 1
1 86 . 11 1 1 S 15 15 LEU H H 24 7.452 7.459 -0.007 1
1 87 . 11 1 1 S 15 15 LEU HA H 24 4.281 4.488 -0.207 1
1 97 . 11 1 1 S 15 15 LEU CA C 24 35.761 55.004 -19.243 1
1 98 . 11 1 1 S 15 15 LEU CB C 24 41.179 43.207 -2.028 1
1 101 . 11 1 1 S 15 15 LEU N N 24 116.328 113.660 2.668 1
1 102 . 11 1 1 S 16 16 LEU H H 25 7.396 8.002 -0.606 1
1 103 . 11 1 1 S 16 16 LEU HA H 25 4.350 4.201 0.149 1
1 112 . 11 1 1 S 16 16 LEU CA C 25 36.365 57.003 -20.638 1
1 113 . 11 1 1 S 16 16 LEU CB C 25 42.493 42.087 0.406 1
1 116 . 11 1 1 S 16 16 LEU N N 25 116.790 121.240 -4.450 1
1 117 . 11 1 1 S 17 17 ALA H H 26 6.894 7.427 -0.533 1
1 118 . 11 1 1 S 17 17 ALA HA H 26 4.349 4.551 -0.202 1
1 122 . 11 1 1 S 17 17 ALA CB C 26 39.296 19.395 19.901 1
1 123 . 11 1 1 S 17 17 ALA N N 26 122.802 120.504 2.298 1
1 124 . 11 1 1 S 18 18 ARG H H 27 8.019 7.537 0.482 1
1 125 . 11 1 1 S 18 18 ARG HA H 27 4.429 4.919 -0.490 1
1 132 . 11 1 1 S 18 18 ARG CA C 27 32.436 53.872 -21.436 1
1 133 . 11 1 1 S 18 18 ARG CB C 27 31.405 33.112 -1.707 1
1 136 . 11 1 1 S 18 18 ARG N N 27 116.328 114.992 1.336 1
1 137 . 11 1 1 S 19 19 PRO HA H 28 4.483 4.481 0.002 1
1 144 . 11 1 1 S 19 19 PRO CA C 28 43.719 62.321 -18.602 1
1 145 . 11 1 1 S 19 19 PRO CB C 28 35.007 29.531 5.476 1
1 148 . 11 1 1 S 20 20 LEU H H 29 8.634 8.626 0.008 1
1 149 . 11 1 1 S 20 20 LEU HA H 29 4.286 4.552 -0.266 1
1 159 . 11 1 1 S 20 20 LEU CA C 29 34.887 53.142 -18.255 1
1 160 . 11 1 1 S 20 20 LEU CB C 29 42.067 41.834 0.233 1
1 163 . 11 1 1 S 20 20 LEU N N 29 123.033 119.805 3.228 1
1 164 . 11 1 1 S 21 21 PRO HA H 30 4.273 4.552 -0.279 1
1 171 . 11 1 1 S 21 21 PRO CA C 30 43.649 62.331 -18.682 1
1 172 . 11 1 1 S 21 21 PRO CB C 30 31.638 33.235 -1.597 1
1 175 . 11 1 1 S 22 22 GLU H H 31 8.522 8.834 -0.312 1
1 176 . 11 1 1 S 22 22 GLU HA H 31 3.988 4.301 -0.313 1
1 180 . 11 1 1 S 22 22 GLU CA C 31 39.044 58.471 -19.427 1
1 181 . 11 1 1 S 22 22 GLU CB C 31 29.490 29.867 -0.377 1
1 183 . 11 1 1 S 22 22 GLU N N 31 123.264 120.404 2.860 1
1 184 . 11 1 1 S 23 23 GLY H H 32 8.783 8.559 0.224 1
1 185 . 11 1 1 S 23 23 GLY HA2 H 32 4.177 4.037 0.140 1
1 186 . 11 1 1 S 23 23 GLY HA3 H 32 3.697 4.177 -0.480 1
1 187 . 11 1 1 S 23 23 GLY CA C 32 45.506 47.191 -1.685 1
1 188 . 11 1 1 S 23 23 GLY N N 32 111.472 108.068 3.404 1
1 189 . 11 1 1 S 24 24 VAL H H 33 6.850 7.879 -1.029 1
1 190 . 11 1 1 S 24 24 VAL HA H 33 3.805 3.938 -0.133 1
1 198 . 11 1 1 S 24 24 VAL CA C 33 42.632 62.710 -20.078 1
1 199 . 11 1 1 S 24 24 VAL CB C 33 32.321 31.419 0.902 1
1 202 . 11 1 1 S 24 24 VAL N N 33 117.021 120.499 -3.478 1
1 203 . 11 1 1 S 25 25 ASP H H 34 8.276 9.217 -0.941 1
1 206 . 11 1 1 S 25 25 ASP CB C 34 41.766 41.209 0.557 1
1 207 . 11 1 1 S 25 25 ASP N N 34 126.270 128.411 -2.141 1
1 208 . 11 1 1 S 26 26 PRO HA H 35 4.082 4.367 -0.285 1
1 215 . 11 1 1 S 26 26 PRO CA C 35 44.876 64.690 -19.814 1
1 216 . 11 1 1 S 26 26 PRO CB C 35 32.282 32.264 0.018 1
1 219 . 11 1 1 S 27 27 LEU H H 36 8.583 8.260 0.323 1
1 220 . 11 1 1 S 27 27 LEU HA H 36 4.361 4.514 -0.153 1
1 230 . 11 1 1 S 27 27 LEU CA C 36 36.955 55.451 -18.496 1
1 231 . 11 1 1 S 27 27 LEU CB C 36 41.466 41.512 -0.046 1
1 235 . 11 1 1 S 27 27 LEU N N 36 118.640 114.727 3.913 1
1 236 . 11 1 1 S 28 28 LYS H H 37 7.838 7.486 0.352 1
1 237 . 11 1 1 S 28 28 LYS HA H 37 5.037 4.619 0.418 1
1 243 . 11 1 1 S 28 28 LYS CA C 37 35.415 55.438 -20.023 1
1 244 . 11 1 1 S 28 28 LYS CB C 37 33.967 33.010 0.957 1
1 247 . 11 1 1 S 28 28 LYS N N 37 120.258 116.472 3.786 1
1 248 . 11 1 1 S 29 29 LEU H H 38 8.203 8.630 -0.427 1
1 249 . 11 1 1 S 29 29 LEU HA H 38 4.266 2.674 1.592 1
1 259 . 11 1 1 S 29 29 LEU CA C 38 39.317 56.970 -17.653 1
1 262 . 11 1 1 S 29 29 LEU N N 38 117.021 124.249 -7.228 1
1 263 . 11 1 1 S 30 30 GLU H H 39 10.041 8.050 1.991 1
1 264 . 11 1 1 S 30 30 GLU HA H 39 4.086 3.656 0.430 1
1 269 . 11 1 1 S 30 30 GLU CA C 39 39.629 58.553 -18.924 1
1 270 . 11 1 1 S 30 30 GLU CB C 39 45.835 28.712 17.123 1
1 272 . 11 1 1 S 30 30 GLU N N 39 114.478 116.992 -2.514 1
1 273 . 11 1 1 S 31 31 ILE H H 40 7.920 7.247 0.673 1
1 274 . 11 1 1 S 31 31 ILE HA H 40 4.266 3.792 0.474 1
1 284 . 11 1 1 S 31 31 ILE CA C 40 44.411 64.300 -19.889 1
1 285 . 11 1 1 S 31 31 ILE CB C 40 37.472 37.265 0.207 1
1 289 . 11 1 1 S 31 31 ILE N N 40 116.790 117.297 -0.507 1
1 290 . 11 1 1 S 32 32 TYR H H 41 7.426 7.754 -0.328 1
1 291 . 11 1 1 S 32 32 TYR HA H 41 4.928 4.488 0.440 1
1 296 . 11 1 1 S 32 32 TYR CB C 41 39.324 38.931 0.393 1
1 297 . 11 1 1 S 32 32 TYR N N 41 119.565 118.571 0.994 1
1 298 . 11 1 1 S 33 33 LEU H H 42 6.749 7.095 -0.346 1
1 299 . 11 1 1 S 33 33 LEU HA H 42 5.266 4.926 0.340 1
1 309 . 11 1 1 S 33 33 LEU CA C 42 33.953 53.360 -19.407 1
1 310 . 11 1 1 S 33 33 LEU CB C 42 45.122 44.743 0.379 1
1 314 . 11 1 1 S 33 33 LEU N N 42 114.709 117.418 -2.709 1
1 315 . 11 1 1 S 34 34 THR H H 43 9.549 8.652 0.897 1
1 316 . 11 1 1 S 34 34 THR HA H 43 4.319 4.636 -0.317 1
1 322 . 11 1 1 S 34 34 THR CA C 43 42.615 61.810 -19.195 1
1 323 . 11 1 1 S 34 34 THR CB C 43 34.267 70.164 -35.897 1
1 325 . 11 1 1 S 34 34 THR N N 43 115.172 117.950 -2.778 1
1 326 . 11 1 1 S 35 35 ASP H H 44 9.173 9.212 -0.039 1
1 327 . 11 1 1 S 35 35 ASP HA H 44 4.361 4.461 -0.100 1
1 330 . 11 1 1 S 35 35 ASP CA C 44 39.549 57.096 -17.547 1
1 331 . 11 1 1 S 35 35 ASP CB C 44 39.585 39.920 -0.335 1
1 332 . 11 1 1 S 35 35 ASP N N 44 122.339 123.562 -1.223 1
1 333 . 11 1 1 S 36 36 GLU H H 45 8.781 8.110 0.671 1
1 334 . 11 1 1 S 36 36 GLU HA H 45 4.119 4.148 -0.029 1
1 339 . 11 1 1 S 36 36 GLU CA C 45 41.388 59.197 -17.809 1
1 340 . 11 1 1 S 36 36 GLU CB C 45 29.301 29.360 -0.059 1
1 342 . 11 1 1 S 36 36 GLU N N 45 118.640 120.305 -1.665 1
1 343 . 11 1 1 S 37 37 ASP H H 46 7.864 8.084 -0.220 1
1 344 . 11 1 1 S 37 37 ASP HA H 46 4.726 4.465 0.261 1
1 347 . 11 1 1 S 37 37 ASP CA C 46 38.055 57.179 -19.124 1
1 348 . 11 1 1 S 37 37 ASP CB C 46 41.567 40.797 0.770 1
1 349 . 11 1 1 S 37 37 ASP N N 46 121.646 120.633 1.013 1
1 350 . 11 1 1 S 38 38 PHE H H 47 9.196 8.947 0.249 1
1 351 . 11 1 1 S 38 38 PHE HA H 47 3.753 4.131 -0.378 1
1 357 . 11 1 1 S 38 38 PHE CA C 47 43.221 61.542 -18.321 1
1 358 . 11 1 1 S 38 38 PHE CB C 47 40.280 38.611 1.669 1
1 359 . 11 1 1 S 38 38 PHE N N 47 122.802 119.722 3.080 1
1 360 . 11 1 1 S 39 39 GLU H H 48 8.496 9.570 -1.074 1
1 361 . 11 1 1 S 39 39 GLU HA H 48 4.413 3.961 0.452 1
1 365 . 11 1 1 S 39 39 GLU CA C 48 40.140 59.605 -19.465 1
1 366 . 11 1 1 S 39 39 GLU CB C 48 29.498 29.390 0.108 1
1 368 . 11 1 1 S 39 39 GLU N N 48 118.177 117.238 0.939 1
1 369 . 11 1 1 S 40 40 PHE H H 49 7.898 7.921 -0.023 1
1 370 . 11 1 1 S 40 40 PHE HA H 49 4.320 4.182 0.138 1
1 376 . 11 1 1 S 40 40 PHE CA C 49 41.713 60.269 -18.556 1
1 377 . 11 1 1 S 40 40 PHE CB C 49 39.847 39.786 0.061 1
1 378 . 11 1 1 S 40 40 PHE N N 49 119.565 121.399 -1.834 1
1 379 . 11 1 1 S 41 41 ALA H H 50 8.637 7.522 1.115 1
1 380 . 11 1 1 S 41 41 ALA HA H 50 3.947 4.522 -0.575 1
1 384 . 11 1 1 S 41 41 ALA CA C 50 35.451 53.944 -18.493 1
1 385 . 11 1 1 S 41 41 ALA CB C 50 39.091 19.977 19.114 1
1 386 . 11 1 1 S 41 41 ALA N N 50 119.565 121.318 -1.753 1
1 387 . 11 1 1 S 42 42 LEU H H 51 8.275 8.426 -0.151 1
1 388 . 11 1 1 S 42 42 LEU HA H 51 4.142 4.438 -0.296 1
1 397 . 11 1 1 S 42 42 LEU CA C 51 35.946 54.308 -18.362 1
1 398 . 11 1 1 S 42 42 LEU CB C 51 41.238 42.418 -1.180 1
1 402 . 11 1 1 S 42 42 LEU N N 51 113.553 115.031 -1.478 1
1 403 . 11 1 1 S 43 43 ASP H H 52 7.841 8.342 -0.501 1
1 404 . 11 1 1 S 43 43 ASP HA H 52 4.483 4.617 -0.134 1
1 407 . 11 1 1 S 43 43 ASP CA C 52 36.572 55.382 -18.810 1
1 408 . 11 1 1 S 43 43 ASP CB C 52 39.869 39.406 0.463 1
1 409 . 11 1 1 S 43 43 ASP N N 52 115.865 117.133 -1.268 1
1 410 . 11 1 1 S 44 44 MET H H 53 7.424 7.504 -0.080 1
1 411 . 11 1 1 S 44 44 MET HA H 53 4.753 4.786 -0.033 1
1 419 . 11 1 1 S 44 44 MET CA C 53 36.030 52.969 -16.939 1
1 420 . 11 1 1 S 44 44 MET CB C 53 34.947 34.536 0.411 1
1 422 . 11 1 1 S 44 44 MET N N 53 111.703 117.690 -5.987 1
1 423 . 11 1 1 S 45 45 THR H H 54 8.372 7.863 0.509 1
1 424 . 11 1 1 S 45 45 THR HA H 54 4.526 4.586 -0.060 1
1 429 . 11 1 1 S 45 45 THR CA C 54 41.951 58.936 -16.985 1
1 430 . 11 1 1 S 45 45 THR CB C 54 33.933 71.671 -37.738 1
1 432 . 11 1 1 S 45 45 THR N N 54 107.079 110.240 -3.161 1
1 433 . 11 1 1 S 46 46 ARG H H 55 8.999 8.711 0.288 1
1 434 . 11 1 1 S 46 46 ARG HA H 55 3.469 3.700 -0.231 1
1 441 . 11 1 1 S 46 46 ARG CA C 55 41.154 59.089 -17.935 1
1 442 . 11 1 1 S 46 46 ARG CB C 55 29.806 29.945 -0.139 1
1 445 . 11 1 1 S 46 46 ARG N N 55 122.570 122.086 0.484 1
1 447 . 11 1 1 S 47 47 ASP H H 56 8.199 8.035 0.164 1
1 448 . 11 1 1 S 47 47 ASP HA H 56 4.334 4.422 -0.088 1
1 451 . 11 1 1 S 47 47 ASP CB C 56 40.724 41.018 -0.294 1
1 452 . 11 1 1 S 47 47 ASP N N 56 116.559 117.554 -0.995 1
1 453 . 11 1 1 S 48 48 GLU H H 57 7.547 7.981 -0.434 1
1 454 . 11 1 1 S 48 48 GLU HA H 57 3.920 4.176 -0.256 1
1 458 . 11 1 1 S 48 48 GLU CA C 57 40.418 58.517 -18.099 1
1 459 . 11 1 1 S 48 48 GLU CB C 57 29.932 30.332 -0.400 1
1 461 . 11 1 1 S 48 48 GLU N N 57 120.721 119.678 1.043 1
1 462 . 11 1 1 S 49 49 TYR H H 58 8.535 8.081 0.454 1
1 463 . 11 1 1 S 49 49 TYR HA H 58 4.181 4.172 0.009 1
1 468 . 11 1 1 S 49 49 TYR CA C 58 42.353 60.897 -18.544 1
1 469 . 11 1 1 S 49 49 TYR CB C 58 39.530 37.619 1.911 1
1 470 . 11 1 1 S 49 49 TYR N N 58 122.570 119.817 2.753 1
1 471 . 11 1 1 S 50 50 ASN H H 59 8.869 8.405 0.464 1
1 472 . 11 1 1 S 50 50 ASN HA H 59 4.293 4.511 -0.218 1
1 476 . 11 1 1 S 50 50 ASN CA C 59 35.728 56.214 -20.486 1
1 477 . 11 1 1 S 50 50 ASN CB C 59 38.117 38.337 -0.220 1
1 478 . 11 1 1 S 50 50 ASN N N 59 117.484 117.089 0.395 1
1 480 . 11 1 1 S 51 51 ALA H H 60 7.146 7.452 -0.306 1
1 481 . 11 1 1 S 51 51 ALA HA H 60 4.342 4.420 -0.078 1
1 485 . 11 1 1 S 51 51 ALA CA C 60 33.070 52.189 -19.119 1
1 486 . 11 1 1 S 51 51 ALA CB C 60 38.063 20.512 17.551 1
1 487 . 11 1 1 S 51 51 ALA N N 60 120.027 119.733 0.294 1
1 488 . 11 1 1 S 52 52 LEU H H 61 7.396 7.417 -0.021 1
1 489 . 11 1 1 S 52 52 LEU HA H 61 4.338 4.374 -0.036 1
1 499 . 11 1 1 S 52 52 LEU CA C 61 33.941 53.660 -19.719 1
1 500 . 11 1 1 S 52 52 LEU CB C 61 42.540 40.904 1.636 1
1 504 . 11 1 1 S 52 52 LEU N N 61 121.183 121.933 -0.750 1
1 505 . 11 1 1 S 53 53 PRO HA H 62 4.381 4.448 -0.067 1
1 512 . 11 1 1 S 53 53 PRO CA C 62 43.181 62.883 -19.702 1
1 513 . 11 1 1 S 53 53 PRO CB C 62 32.503 32.644 -0.141 1
1 516 . 11 1 1 S 54 54 ALA H H 63 8.847 8.573 0.274 1
1 517 . 11 1 1 S 54 54 ALA HA H 63 3.953 3.871 0.082 1
1 521 . 11 1 1 S 54 54 ALA CA C 63 36.779 54.179 -17.400 1
1 522 . 11 1 1 S 54 54 ALA CB C 63 36.769 18.501 18.268 1
1 523 . 11 1 1 S 54 54 ALA N N 63 126.270 125.644 0.626 1
1 524 . 11 1 1 S 55 55 TRP H H 64 7.875 7.868 0.007 1
1 525 . 11 1 1 S 55 55 TRP HA H 64 4.378 4.355 0.023 1
1 534 . 11 1 1 S 55 55 TRP CA C 64 39.808 60.079 -20.271 1
1 535 . 11 1 1 S 55 55 TRP CB C 64 45.794 29.087 16.707 1
1 536 . 11 1 1 S 55 55 TRP N N 64 113.553 120.003 -6.450 1
1 538 . 11 1 1 S 56 56 LYS H H 65 6.197 7.611 -1.414 1
1 539 . 11 1 1 S 56 56 LYS HA H 65 3.631 2.336 1.295 1
1 547 . 11 1 1 S 56 56 LYS CA C 65 39.976 58.802 -18.826 1
1 548 . 11 1 1 S 56 56 LYS CB C 65 32.615 31.338 1.277 1
1 551 . 11 1 1 S 56 56 LYS N N 65 122.802 120.970 1.832 1
1 552 . 11 1 1 S 57 57 GLN H H 66 7.521 7.670 -0.149 1
1 553 . 11 1 1 S 57 57 GLN HA H 66 3.585 3.105 0.480 1
1 560 . 11 1 1 S 57 57 GLN CA C 66 40.775 57.836 -17.061 1
1 561 . 11 1 1 S 57 57 GLN CB C 66 46.154 27.520 18.634 1
1 563 . 11 1 1 S 57 57 GLN N N 66 120.480 117.364 3.116 1
1 565 . 11 1 1 S 58 58 VAL H H 67 7.775 7.676 0.099 1
1 566 . 11 1 1 S 58 58 VAL HA H 67 3.197 3.444 -0.247 1
1 574 . 11 1 1 S 58 58 VAL CA C 67 29.564 66.231 -36.667 1
1 575 . 11 1 1 S 58 58 VAL CB C 67 31.723 31.566 0.157 1
1 578 . 11 1 1 S 58 58 VAL N N 67 117.021 120.793 -3.772 1
1 579 . 11 1 1 S 59 59 ASN H H 68 7.497 9.265 -1.768 1
1 580 . 11 1 1 S 59 59 ASN HA H 68 4.310 4.483 -0.173 1
1 584 . 11 1 1 S 59 59 ASN CA C 68 37.310 56.545 -19.235 1
1 585 . 11 1 1 S 59 59 ASN CB C 68 37.866 38.475 -0.609 1
1 586 . 11 1 1 S 59 59 ASN N N 68 118.177 118.710 -0.533 1
1 588 . 11 1 1 S 60 60 LEU H H 69 8.144 7.432 0.712 1
1 589 . 11 1 1 S 60 60 LEU HA H 69 4.226 4.163 0.063 1
1 599 . 11 1 1 S 60 60 LEU CA C 69 39.078 56.412 -17.334 1
1 600 . 11 1 1 S 60 60 LEU CB C 69 42.244 41.615 0.629 1
1 603 . 11 1 1 S 60 60 LEU N N 69 122.570 120.718 1.852 1
1 604 . 11 1 1 S 61 61 LYS H H 70 8.190 8.129 0.061 1
1 605 . 11 1 1 S 61 61 LYS HA H 70 3.610 4.005 -0.395 1
1 611 . 11 1 1 S 61 61 LYS CA C 70 43.383 59.492 -16.109 1
1 612 . 11 1 1 S 61 61 LYS CB C 70 32.375 32.071 0.304 1
1 614 . 11 1 1 S 61 61 LYS N N 70 116.790 120.829 -4.039 1
1 615 . 11 1 1 S 62 62 LYS H H 71 8.863 8.299 0.564 1
1 616 . 11 1 1 S 62 62 LYS HA H 71 4.121 4.186 -0.065 1
1 623 . 11 1 1 S 62 62 LYS CA C 71 41.331 59.800 -18.469 1
1 624 . 11 1 1 S 62 62 LYS CB C 71 32.973 32.528 0.445 1
1 628 . 11 1 1 S 62 62 LYS N N 71 119.102 119.278 -0.176 1
1 629 . 11 1 1 S 63 63 ALA H H 72 7.734 7.970 -0.236 1
1 630 . 11 1 1 S 63 63 ALA HA H 72 4.211 4.070 0.141 1
1 634 . 11 1 1 S 63 63 ALA CA C 72 35.710 54.770 -19.060 1
1 635 . 11 1 1 S 63 63 ALA CB C 72 37.243 18.716 18.527 1
1 636 . 11 1 1 S 63 63 ALA N N 72 121.414 122.002 -0.588 1
1 637 . 11 1 1 S 64 64 LYS H H 73 7.546 7.544 0.002 1
1 638 . 11 1 1 S 64 64 LYS HA H 73 4.468 4.448 0.020 1
1 644 . 11 1 1 S 64 64 LYS CA C 73 34.628 56.797 -22.169 1
1 645 . 11 1 1 S 64 64 LYS CB C 73 32.588 33.361 -0.773 1
1 646 . 11 1 1 S 64 64 LYS N N 73 114.016 116.835 -2.819 1
1 647 . 11 1 1 S 65 65 GLY H H 74 7.508 8.185 -0.677 1
1 648 . 11 1 1 S 65 65 GLY HA2 H 74 4.260 4.093 0.167 1
1 649 . 11 1 1 S 65 65 GLY HA3 H 74 4.012 4.094 -0.082 1
1 650 . 11 1 1 S 65 65 GLY CA C 74 46.235 45.283 0.952 1
1 651 . 11 1 1 S 65 65 GLY N N 74 105.692 107.516 -1.824 1
1 652 . 11 1 1 S 66 66 LEU H H 75 8.400 7.926 0.474 1
1 653 . 11 1 1 S 66 66 LEU HA H 75 4.519 4.218 0.301 1
1 663 . 11 1 1 S 66 66 LEU CA C 75 34.331 57.067 -22.736 1
1 664 . 11 1 1 S 66 66 LEU CB C 75 42.886 42.557 0.329 1
1 668 . 11 1 1 S 66 66 LEU N N 75 120.952 121.067 -0.115 1
1 1 . 12 1 1 S 6 6 CYS HA H 15 4.540 5.179 -0.639 1
1 4 . 12 1 1 S 6 6 CYS CB C 15 28.556 30.800 -2.244 1
1 5 . 12 1 1 S 7 7 LYS HA H 16 4.376 5.226 -0.850 1
1 8 . 12 1 1 S 7 7 LYS CA C 16 37.775 55.173 -17.398 1
1 9 . 12 1 1 S 7 7 LYS CB C 16 33.150 36.729 -3.579 1
1 10 . 12 1 1 S 8 8 THR H H 17 8.305 8.868 -0.563 1
1 11 . 12 1 1 S 8 8 THR HA H 17 4.320 4.958 -0.638 1
1 16 . 12 1 1 S 8 8 THR CA C 17 44.017 60.531 -16.514 1
1 17 . 12 1 1 S 8 8 THR CB C 17 31.886 71.188 -39.302 1
1 19 . 12 1 1 S 8 8 THR N N 17 115.400 117.023 -1.623 1
1 20 . 12 1 1 S 9 9 ILE H H 18 7.450 8.960 -1.510 1
1 21 . 12 1 1 S 9 9 ILE HA H 18 5.077 4.738 0.339 1
1 31 . 12 1 1 S 9 9 ILE CA C 18 38.964 60.167 -21.203 1
1 32 . 12 1 1 S 9 9 ILE CB C 18 40.553 39.888 0.665 1
1 36 . 12 1 1 S 9 9 ILE N N 18 122.802 130.111 -7.309 1
1 37 . 12 1 1 S 10 10 TYR H H 19 9.151 8.651 0.500 1
1 38 . 12 1 1 S 10 10 TYR HA H 19 4.927 4.886 0.041 1
1 43 . 12 1 1 S 10 10 TYR CB C 19 41.335 39.194 2.141 1
1 44 . 12 1 1 S 10 10 TYR N N 19 124.420 129.643 -5.223 1
1 45 . 12 1 1 S 11 11 PRO HA H 20 4.496 4.469 0.027 1
1 52 . 12 1 1 S 11 11 PRO CA C 20 43.576 63.225 -19.649 1
1 53 . 12 1 1 S 11 11 PRO CB C 20 32.801 32.094 0.707 1
1 55 . 12 1 1 S 12 12 LEU H H 21 7.790 8.596 -0.806 1
1 56 . 12 1 1 S 12 12 LEU HA H 21 3.896 4.036 -0.140 1
1 66 . 12 1 1 S 12 12 LEU CA C 21 39.620 57.864 -18.244 1
1 67 . 12 1 1 S 12 12 LEU CB C 21 42.245 41.876 0.369 1
1 71 . 12 1 1 S 12 12 LEU N N 21 123.727 125.224 -1.497 1
1 72 . 12 1 1 S 13 13 ALA H H 22 8.995 8.250 0.745 1
1 73 . 12 1 1 S 13 13 ALA HA H 22 3.943 4.112 -0.169 1
1 77 . 12 1 1 S 13 13 ALA CA C 22 36.717 55.481 -18.764 1
1 78 . 12 1 1 S 13 13 ALA CB C 22 37.456 18.187 19.269 1
1 79 . 12 1 1 S 13 13 ALA N N 22 116.790 121.612 -4.822 1
1 80 . 12 1 1 S 14 14 ASP H H 23 7.393 8.390 -0.997 1
1 81 . 12 1 1 S 14 14 ASP HA H 23 4.387 4.572 -0.185 1
1 84 . 12 1 1 S 14 14 ASP CB C 23 40.902 40.444 0.458 1
1 85 . 12 1 1 S 14 14 ASP N N 23 115.403 120.109 -4.706 1
1 86 . 12 1 1 S 15 15 LEU H H 24 7.452 7.408 0.044 1
1 87 . 12 1 1 S 15 15 LEU HA H 24 4.281 4.323 -0.042 1
1 97 . 12 1 1 S 15 15 LEU CA C 24 35.761 56.922 -21.161 1
1 98 . 12 1 1 S 15 15 LEU CB C 24 41.179 42.145 -0.966 1
1 101 . 12 1 1 S 15 15 LEU N N 24 116.328 115.693 0.635 1
1 102 . 12 1 1 S 16 16 LEU H H 25 7.396 8.186 -0.790 1
1 103 . 12 1 1 S 16 16 LEU HA H 25 4.350 4.819 -0.469 1
1 112 . 12 1 1 S 16 16 LEU CA C 25 36.365 53.714 -17.349 1
1 113 . 12 1 1 S 16 16 LEU CB C 25 42.493 41.684 0.809 1
1 116 . 12 1 1 S 16 16 LEU N N 25 116.790 120.143 -3.353 1
1 117 . 12 1 1 S 17 17 ALA H H 26 6.894 7.966 -1.072 1
1 118 . 12 1 1 S 17 17 ALA HA H 26 4.349 3.995 0.354 1
1 122 . 12 1 1 S 17 17 ALA CB C 26 39.296 17.672 21.624 1
1 123 . 12 1 1 S 17 17 ALA N N 26 122.802 119.759 3.043 1
1 124 . 12 1 1 S 18 18 ARG H H 27 8.019 7.233 0.786 1
1 125 . 12 1 1 S 18 18 ARG HA H 27 4.429 4.687 -0.258 1
1 132 . 12 1 1 S 18 18 ARG CA C 27 32.436 52.944 -20.508 1
1 133 . 12 1 1 S 18 18 ARG CB C 27 31.405 33.718 -2.313 1
1 136 . 12 1 1 S 18 18 ARG N N 27 116.328 116.004 0.324 1
1 137 . 12 1 1 S 19 19 PRO HA H 28 4.483 4.364 0.119 1
1 144 . 12 1 1 S 19 19 PRO CA C 28 43.719 63.268 -19.549 1
1 145 . 12 1 1 S 19 19 PRO CB C 28 35.007 31.674 3.333 1
1 148 . 12 1 1 S 20 20 LEU H H 29 8.634 8.059 0.575 1
1 149 . 12 1 1 S 20 20 LEU HA H 29 4.286 5.098 -0.812 1
1 159 . 12 1 1 S 20 20 LEU CA C 29 34.887 52.529 -17.642 1
1 160 . 12 1 1 S 20 20 LEU CB C 29 42.067 42.248 -0.181 1
1 163 . 12 1 1 S 20 20 LEU N N 29 123.033 120.340 2.693 1
1 164 . 12 1 1 S 21 21 PRO HA H 30 4.273 4.657 -0.384 1
1 171 . 12 1 1 S 21 21 PRO CA C 30 43.649 62.160 -18.511 1
1 172 . 12 1 1 S 21 21 PRO CB C 30 31.638 33.037 -1.399 1
1 175 . 12 1 1 S 22 22 GLU H H 31 8.522 8.787 -0.265 1
1 176 . 12 1 1 S 22 22 GLU HA H 31 3.988 4.346 -0.358 1
1 180 . 12 1 1 S 22 22 GLU CA C 31 39.044 57.580 -18.536 1
1 181 . 12 1 1 S 22 22 GLU CB C 31 29.490 29.642 -0.152 1
1 183 . 12 1 1 S 22 22 GLU N N 31 123.264 121.080 2.184 1
1 184 . 12 1 1 S 23 23 GLY H H 32 8.783 8.395 0.388 1
1 185 . 12 1 1 S 23 23 GLY HA2 H 32 4.177 3.974 0.203 1
1 186 . 12 1 1 S 23 23 GLY HA3 H 32 3.697 4.032 -0.335 1
1 187 . 12 1 1 S 23 23 GLY CA C 32 45.506 46.605 -1.099 1
1 188 . 12 1 1 S 23 23 GLY N N 32 111.472 107.570 3.902 1
1 189 . 12 1 1 S 24 24 VAL H H 33 6.850 7.644 -0.794 1
1 190 . 12 1 1 S 24 24 VAL HA H 33 3.805 3.675 0.130 1
1 198 . 12 1 1 S 24 24 VAL CA C 33 42.632 60.965 -18.333 1
1 199 . 12 1 1 S 24 24 VAL CB C 33 32.321 31.515 0.806 1
1 202 . 12 1 1 S 24 24 VAL N N 33 117.021 118.307 -1.286 1
1 203 . 12 1 1 S 25 25 ASP H H 34 8.276 9.182 -0.906 1
1 206 . 12 1 1 S 25 25 ASP CB C 34 41.766 40.987 0.779 1
1 207 . 12 1 1 S 25 25 ASP N N 34 126.270 127.617 -1.347 1
1 208 . 12 1 1 S 26 26 PRO HA H 35 4.082 4.366 -0.284 1
1 215 . 12 1 1 S 26 26 PRO CA C 35 44.876 65.151 -20.275 1
1 216 . 12 1 1 S 26 26 PRO CB C 35 32.282 31.941 0.341 1
1 219 . 12 1 1 S 27 27 LEU H H 36 8.583 8.327 0.256 1
1 220 . 12 1 1 S 27 27 LEU HA H 36 4.361 4.533 -0.172 1
1 230 . 12 1 1 S 27 27 LEU CA C 36 36.955 55.947 -18.992 1
1 231 . 12 1 1 S 27 27 LEU CB C 36 41.466 41.565 -0.099 1
1 235 . 12 1 1 S 27 27 LEU N N 36 118.640 115.007 3.633 1
1 236 . 12 1 1 S 28 28 LYS H H 37 7.838 7.974 -0.136 1
1 237 . 12 1 1 S 28 28 LYS HA H 37 5.037 4.778 0.259 1
1 243 . 12 1 1 S 28 28 LYS CA C 37 35.415 55.386 -19.971 1
1 244 . 12 1 1 S 28 28 LYS CB C 37 33.967 35.236 -1.269 1
1 247 . 12 1 1 S 28 28 LYS N N 37 120.258 116.605 3.653 1
1 248 . 12 1 1 S 29 29 LEU H H 38 8.203 8.871 -0.668 1
1 249 . 12 1 1 S 29 29 LEU HA H 38 4.266 3.191 1.075 1
1 259 . 12 1 1 S 29 29 LEU CA C 38 39.317 56.722 -17.405 1
1 262 . 12 1 1 S 29 29 LEU N N 38 117.021 123.105 -6.084 1
1 263 . 12 1 1 S 30 30 GLU H H 39 10.041 8.155 1.886 1
1 264 . 12 1 1 S 30 30 GLU HA H 39 4.086 3.623 0.463 1
1 269 . 12 1 1 S 30 30 GLU CA C 39 39.629 58.642 -19.013 1
1 270 . 12 1 1 S 30 30 GLU CB C 39 45.835 28.747 17.088 1
1 272 . 12 1 1 S 30 30 GLU N N 39 114.478 116.880 -2.402 1
1 273 . 12 1 1 S 31 31 ILE H H 40 7.920 7.387 0.533 1
1 274 . 12 1 1 S 31 31 ILE HA H 40 4.266 3.912 0.354 1
1 284 . 12 1 1 S 31 31 ILE CA C 40 44.411 64.081 -19.670 1
1 285 . 12 1 1 S 31 31 ILE CB C 40 37.472 37.248 0.224 1
1 289 . 12 1 1 S 31 31 ILE N N 40 116.790 117.260 -0.470 1
1 290 . 12 1 1 S 32 32 TYR H H 41 7.426 7.668 -0.242 1
1 291 . 12 1 1 S 32 32 TYR HA H 41 4.928 4.648 0.280 1
1 296 . 12 1 1 S 32 32 TYR CB C 41 39.324 39.038 0.286 1
1 297 . 12 1 1 S 32 32 TYR N N 41 119.565 118.091 1.474 1
1 298 . 12 1 1 S 33 33 LEU H H 42 6.749 7.018 -0.269 1
1 299 . 12 1 1 S 33 33 LEU HA H 42 5.266 4.911 0.355 1
1 309 . 12 1 1 S 33 33 LEU CA C 42 33.953 53.464 -19.511 1
1 310 . 12 1 1 S 33 33 LEU CB C 42 45.122 44.568 0.554 1
1 314 . 12 1 1 S 33 33 LEU N N 42 114.709 117.608 -2.899 1
1 315 . 12 1 1 S 34 34 THR H H 43 9.549 8.886 0.663 1
1 316 . 12 1 1 S 34 34 THR HA H 43 4.319 4.618 -0.299 1
1 322 . 12 1 1 S 34 34 THR CA C 43 42.615 61.393 -18.778 1
1 323 . 12 1 1 S 34 34 THR CB C 43 34.267 71.027 -36.760 1
1 325 . 12 1 1 S 34 34 THR N N 43 115.172 114.350 0.822 1
1 326 . 12 1 1 S 35 35 ASP H H 44 9.173 9.138 0.035 1
1 327 . 12 1 1 S 35 35 ASP HA H 44 4.361 4.470 -0.109 1
1 330 . 12 1 1 S 35 35 ASP CA C 44 39.549 56.998 -17.449 1
1 331 . 12 1 1 S 35 35 ASP CB C 44 39.585 39.820 -0.235 1
1 332 . 12 1 1 S 35 35 ASP N N 44 122.339 121.191 1.148 1
1 333 . 12 1 1 S 36 36 GLU H H 45 8.781 8.275 0.506 1
1 334 . 12 1 1 S 36 36 GLU HA H 45 4.119 4.131 -0.012 1
1 339 . 12 1 1 S 36 36 GLU CA C 45 41.388 59.050 -17.662 1
1 340 . 12 1 1 S 36 36 GLU CB C 45 29.301 29.552 -0.251 1
1 342 . 12 1 1 S 36 36 GLU N N 45 118.640 120.413 -1.773 1
1 343 . 12 1 1 S 37 37 ASP H H 46 7.864 7.982 -0.118 1
1 344 . 12 1 1 S 37 37 ASP HA H 46 4.726 4.456 0.270 1
1 347 . 12 1 1 S 37 37 ASP CA C 46 38.055 57.194 -19.139 1
1 348 . 12 1 1 S 37 37 ASP CB C 46 41.567 40.556 1.011 1
1 349 . 12 1 1 S 37 37 ASP N N 46 121.646 120.508 1.138 1
1 350 . 12 1 1 S 38 38 PHE H H 47 9.196 9.168 0.028 1
1 351 . 12 1 1 S 38 38 PHE HA H 47 3.753 4.095 -0.342 1
1 357 . 12 1 1 S 38 38 PHE CA C 47 43.221 61.366 -18.145 1
1 358 . 12 1 1 S 38 38 PHE CB C 47 40.280 38.576 1.704 1
1 359 . 12 1 1 S 38 38 PHE N N 47 122.802 119.537 3.265 1
1 360 . 12 1 1 S 39 39 GLU H H 48 8.496 9.491 -0.995 1
1 361 . 12 1 1 S 39 39 GLU HA H 48 4.413 4.066 0.347 1
1 365 . 12 1 1 S 39 39 GLU CA C 48 40.140 59.556 -19.416 1
1 366 . 12 1 1 S 39 39 GLU CB C 48 29.498 29.413 0.085 1
1 368 . 12 1 1 S 39 39 GLU N N 48 118.177 117.836 0.341 1
1 369 . 12 1 1 S 40 40 PHE H H 49 7.898 7.534 0.364 1
1 370 . 12 1 1 S 40 40 PHE HA H 49 4.320 4.293 0.027 1
1 376 . 12 1 1 S 40 40 PHE CA C 49 41.713 60.121 -18.408 1
1 377 . 12 1 1 S 40 40 PHE CB C 49 39.847 40.492 -0.645 1
1 378 . 12 1 1 S 40 40 PHE N N 49 119.565 119.211 0.354 1
1 379 . 12 1 1 S 41 41 ALA H H 50 8.637 8.220 0.417 1
1 380 . 12 1 1 S 41 41 ALA HA H 50 3.947 4.357 -0.410 1
1 384 . 12 1 1 S 41 41 ALA CA C 50 35.451 52.519 -17.068 1
1 385 . 12 1 1 S 41 41 ALA CB C 50 39.091 19.664 19.427 1
1 386 . 12 1 1 S 41 41 ALA N N 50 119.565 120.948 -1.383 1
1 387 . 12 1 1 S 42 42 LEU H H 51 8.275 7.911 0.364 1
1 388 . 12 1 1 S 42 42 LEU HA H 51 4.142 4.531 -0.389 1
1 397 . 12 1 1 S 42 42 LEU CA C 51 35.946 54.438 -18.492 1
1 398 . 12 1 1 S 42 42 LEU CB C 51 41.238 44.010 -2.772 1
1 402 . 12 1 1 S 42 42 LEU N N 51 113.553 115.227 -1.674 1
1 403 . 12 1 1 S 43 43 ASP H H 52 7.841 8.183 -0.342 1
1 404 . 12 1 1 S 43 43 ASP HA H 52 4.483 4.607 -0.124 1
1 407 . 12 1 1 S 43 43 ASP CA C 52 36.572 55.433 -18.861 1
1 408 . 12 1 1 S 43 43 ASP CB C 52 39.869 39.413 0.456 1
1 409 . 12 1 1 S 43 43 ASP N N 52 115.865 117.581 -1.716 1
1 410 . 12 1 1 S 44 44 MET H H 53 7.424 7.280 0.144 1
1 411 . 12 1 1 S 44 44 MET HA H 53 4.753 4.730 0.023 1
1 419 . 12 1 1 S 44 44 MET CA C 53 36.030 53.062 -17.032 1
1 420 . 12 1 1 S 44 44 MET CB C 53 34.947 34.802 0.145 1
1 422 . 12 1 1 S 44 44 MET N N 53 111.703 117.051 -5.348 1
1 423 . 12 1 1 S 45 45 THR H H 54 8.372 8.045 0.327 1
1 424 . 12 1 1 S 45 45 THR HA H 54 4.526 4.654 -0.128 1
1 429 . 12 1 1 S 45 45 THR CA C 54 41.951 58.980 -17.029 1
1 430 . 12 1 1 S 45 45 THR CB C 54 33.933 71.684 -37.751 1
1 432 . 12 1 1 S 45 45 THR N N 54 107.079 111.436 -4.357 1
1 433 . 12 1 1 S 46 46 ARG H H 55 8.999 8.523 0.476 1
1 434 . 12 1 1 S 46 46 ARG HA H 55 3.469 3.372 0.097 1
1 441 . 12 1 1 S 46 46 ARG CA C 55 41.154 58.822 -17.668 1
1 442 . 12 1 1 S 46 46 ARG CB C 55 29.806 29.945 -0.139 1
1 445 . 12 1 1 S 46 46 ARG N N 55 122.570 122.101 0.469 1
1 447 . 12 1 1 S 47 47 ASP H H 56 8.199 7.706 0.493 1
1 448 . 12 1 1 S 47 47 ASP HA H 56 4.334 4.547 -0.213 1
1 451 . 12 1 1 S 47 47 ASP CB C 56 40.724 40.691 0.033 1
1 452 . 12 1 1 S 47 47 ASP N N 56 116.559 118.204 -1.645 1
1 453 . 12 1 1 S 48 48 GLU H H 57 7.547 7.941 -0.394 1
1 454 . 12 1 1 S 48 48 GLU HA H 57 3.920 4.183 -0.263 1
1 458 . 12 1 1 S 48 48 GLU CA C 57 40.418 58.402 -17.984 1
1 459 . 12 1 1 S 48 48 GLU CB C 57 29.932 30.365 -0.433 1
1 461 . 12 1 1 S 48 48 GLU N N 57 120.721 119.728 0.993 1
1 462 . 12 1 1 S 49 49 TYR H H 58 8.535 8.305 0.230 1
1 463 . 12 1 1 S 49 49 TYR HA H 58 4.181 4.209 -0.028 1
1 468 . 12 1 1 S 49 49 TYR CA C 58 42.353 61.552 -19.199 1
1 469 . 12 1 1 S 49 49 TYR CB C 58 39.530 37.384 2.146 1
1 470 . 12 1 1 S 49 49 TYR N N 58 122.570 119.863 2.707 1
1 471 . 12 1 1 S 50 50 ASN H H 59 8.869 8.435 0.434 1
1 472 . 12 1 1 S 50 50 ASN HA H 59 4.293 4.516 -0.223 1
1 476 . 12 1 1 S 50 50 ASN CA C 59 35.728 56.176 -20.448 1
1 477 . 12 1 1 S 50 50 ASN CB C 59 38.117 38.338 -0.221 1
1 478 . 12 1 1 S 50 50 ASN N N 59 117.484 117.752 -0.268 1
1 480 . 12 1 1 S 51 51 ALA H H 60 7.146 7.547 -0.401 1
1 481 . 12 1 1 S 51 51 ALA HA H 60 4.342 4.409 -0.067 1
1 485 . 12 1 1 S 51 51 ALA CA C 60 33.070 52.107 -19.037 1
1 486 . 12 1 1 S 51 51 ALA CB C 60 38.063 20.718 17.345 1
1 487 . 12 1 1 S 51 51 ALA N N 60 120.027 119.489 0.538 1
1 488 . 12 1 1 S 52 52 LEU H H 61 7.396 7.482 -0.086 1
1 489 . 12 1 1 S 52 52 LEU HA H 61 4.338 4.349 -0.011 1
1 499 . 12 1 1 S 52 52 LEU CA C 61 33.941 53.595 -19.654 1
1 500 . 12 1 1 S 52 52 LEU CB C 61 42.540 40.878 1.662 1
1 504 . 12 1 1 S 52 52 LEU N N 61 121.183 121.667 -0.484 1
1 505 . 12 1 1 S 53 53 PRO HA H 62 4.381 4.445 -0.064 1
1 512 . 12 1 1 S 53 53 PRO CA C 62 43.181 62.771 -19.590 1
1 513 . 12 1 1 S 53 53 PRO CB C 62 32.503 32.479 0.024 1
1 516 . 12 1 1 S 54 54 ALA H H 63 8.847 8.471 0.376 1
1 517 . 12 1 1 S 54 54 ALA HA H 63 3.953 3.995 -0.042 1
1 521 . 12 1 1 S 54 54 ALA CA C 63 36.779 54.125 -17.346 1
1 522 . 12 1 1 S 54 54 ALA CB C 63 36.769 18.794 17.975 1
1 523 . 12 1 1 S 54 54 ALA N N 63 126.270 124.953 1.317 1
1 524 . 12 1 1 S 55 55 TRP H H 64 7.875 7.889 -0.014 1
1 525 . 12 1 1 S 55 55 TRP HA H 64 4.378 4.392 -0.014 1
1 534 . 12 1 1 S 55 55 TRP CA C 64 39.808 60.040 -20.232 1
1 535 . 12 1 1 S 55 55 TRP CB C 64 45.794 29.089 16.705 1
1 536 . 12 1 1 S 55 55 TRP N N 64 113.553 120.211 -6.658 1
1 538 . 12 1 1 S 56 56 LYS H H 65 6.197 7.650 -1.453 1
1 539 . 12 1 1 S 56 56 LYS HA H 65 3.631 2.403 1.228 1
1 547 . 12 1 1 S 56 56 LYS CA C 65 39.976 58.869 -18.893 1
1 548 . 12 1 1 S 56 56 LYS CB C 65 32.615 31.330 1.285 1
1 551 . 12 1 1 S 56 56 LYS N N 65 122.802 121.607 1.195 1
1 552 . 12 1 1 S 57 57 GLN H H 66 7.521 7.820 -0.299 1
1 553 . 12 1 1 S 57 57 GLN HA H 66 3.585 3.215 0.370 1
1 560 . 12 1 1 S 57 57 GLN CA C 66 40.775 57.935 -17.160 1
1 561 . 12 1 1 S 57 57 GLN CB C 66 46.154 27.721 18.433 1
1 563 . 12 1 1 S 57 57 GLN N N 66 120.480 117.257 3.223 1
1 565 . 12 1 1 S 58 58 VAL H H 67 7.775 7.729 0.046 1
1 566 . 12 1 1 S 58 58 VAL HA H 67 3.197 3.493 -0.296 1
1 574 . 12 1 1 S 58 58 VAL CA C 67 29.564 66.109 -36.545 1
1 575 . 12 1 1 S 58 58 VAL CB C 67 31.723 31.720 0.003 1
1 578 . 12 1 1 S 58 58 VAL N N 67 117.021 120.907 -3.886 1
1 579 . 12 1 1 S 59 59 ASN H H 68 7.497 9.296 -1.799 1
1 580 . 12 1 1 S 59 59 ASN HA H 68 4.310 4.504 -0.194 1
1 584 . 12 1 1 S 59 59 ASN CA C 68 37.310 56.559 -19.249 1
1 585 . 12 1 1 S 59 59 ASN CB C 68 37.866 38.413 -0.547 1
1 586 . 12 1 1 S 59 59 ASN N N 68 118.177 118.611 -0.434 1
1 588 . 12 1 1 S 60 60 LEU H H 69 8.144 7.632 0.512 1
1 589 . 12 1 1 S 60 60 LEU HA H 69 4.226 4.120 0.106 1
1 599 . 12 1 1 S 60 60 LEU CA C 69 39.078 57.418 -18.340 1
1 600 . 12 1 1 S 60 60 LEU CB C 69 42.244 41.372 0.872 1
1 603 . 12 1 1 S 60 60 LEU N N 69 122.570 119.944 2.626 1
1 604 . 12 1 1 S 61 61 LYS H H 70 8.190 8.115 0.075 1
1 605 . 12 1 1 S 61 61 LYS HA H 70 3.610 4.046 -0.436 1
1 611 . 12 1 1 S 61 61 LYS CA C 70 43.383 60.171 -16.788 1
1 612 . 12 1 1 S 61 61 LYS CB C 70 32.375 32.306 0.069 1
1 614 . 12 1 1 S 61 61 LYS N N 70 116.790 119.035 -2.245 1
1 615 . 12 1 1 S 62 62 LYS H H 71 8.863 8.524 0.339 1
1 616 . 12 1 1 S 62 62 LYS HA H 71 4.121 4.167 -0.046 1
1 623 . 12 1 1 S 62 62 LYS CA C 71 41.331 59.245 -17.914 1
1 624 . 12 1 1 S 62 62 LYS CB C 71 32.973 32.292 0.681 1
1 628 . 12 1 1 S 62 62 LYS N N 71 119.102 119.057 0.045 1
1 629 . 12 1 1 S 63 63 ALA H H 72 7.734 7.371 0.363 1
1 630 . 12 1 1 S 63 63 ALA HA H 72 4.211 4.267 -0.056 1
1 634 . 12 1 1 S 63 63 ALA CA C 72 35.710 53.762 -18.052 1
1 635 . 12 1 1 S 63 63 ALA CB C 72 37.243 18.728 18.515 1
1 636 . 12 1 1 S 63 63 ALA N N 72 121.414 121.198 0.216 1
1 637 . 12 1 1 S 64 64 LYS H H 73 7.546 7.646 -0.100 1
1 638 . 12 1 1 S 64 64 LYS HA H 73 4.468 4.400 0.068 1
1 644 . 12 1 1 S 64 64 LYS CA C 73 34.628 56.154 -21.526 1
1 645 . 12 1 1 S 64 64 LYS CB C 73 32.588 33.557 -0.969 1
1 646 . 12 1 1 S 64 64 LYS N N 73 114.016 116.394 -2.378 1
1 647 . 12 1 1 S 65 65 GLY H H 74 7.508 8.105 -0.597 1
1 648 . 12 1 1 S 65 65 GLY HA2 H 74 4.260 4.086 0.174 1
1 649 . 12 1 1 S 65 65 GLY HA3 H 74 4.012 4.091 -0.079 1
1 650 . 12 1 1 S 65 65 GLY CA C 74 46.235 45.563 0.672 1
1 651 . 12 1 1 S 65 65 GLY N N 74 105.692 107.757 -2.065 1
1 652 . 12 1 1 S 66 66 LEU H H 75 8.400 8.203 0.197 1
1 653 . 12 1 1 S 66 66 LEU HA H 75 4.519 4.541 -0.022 1
1 663 . 12 1 1 S 66 66 LEU CA C 75 34.331 56.141 -21.810 1
1 664 . 12 1 1 S 66 66 LEU CB C 75 42.886 43.648 -0.762 1
1 668 . 12 1 1 S 66 66 LEU N N 75 120.952 118.105 2.847 1
1 1 . 13 1 1 S 6 6 CYS HA H 15 4.540 5.256 -0.716 1
1 4 . 13 1 1 S 6 6 CYS CB C 15 28.556 30.913 -2.357 1
1 5 . 13 1 1 S 7 7 LYS HA H 16 4.376 5.037 -0.661 1
1 8 . 13 1 1 S 7 7 LYS CA C 16 37.775 54.745 -16.970 1
1 9 . 13 1 1 S 7 7 LYS CB C 16 33.150 34.873 -1.723 1
1 10 . 13 1 1 S 8 8 THR H H 17 8.305 9.061 -0.756 1
1 11 . 13 1 1 S 8 8 THR HA H 17 4.320 4.910 -0.590 1
1 16 . 13 1 1 S 8 8 THR CA C 17 44.017 61.796 -17.779 1
1 17 . 13 1 1 S 8 8 THR CB C 17 31.886 70.879 -38.993 1
1 19 . 13 1 1 S 8 8 THR N N 17 115.400 119.863 -4.463 1
1 20 . 13 1 1 S 9 9 ILE H H 18 7.450 8.731 -1.281 1
1 21 . 13 1 1 S 9 9 ILE HA H 18 5.077 5.068 0.009 1
1 31 . 13 1 1 S 9 9 ILE CA C 18 38.964 60.483 -21.519 1
1 32 . 13 1 1 S 9 9 ILE CB C 18 40.553 38.294 2.259 1
1 36 . 13 1 1 S 9 9 ILE N N 18 122.802 125.586 -2.784 1
1 37 . 13 1 1 S 10 10 TYR H H 19 9.151 8.533 0.618 1
1 38 . 13 1 1 S 10 10 TYR HA H 19 4.927 4.823 0.104 1
1 43 . 13 1 1 S 10 10 TYR CB C 19 41.335 38.752 2.583 1
1 44 . 13 1 1 S 10 10 TYR N N 19 124.420 127.438 -3.018 1
1 45 . 13 1 1 S 11 11 PRO HA H 20 4.496 4.576 -0.080 1
1 52 . 13 1 1 S 11 11 PRO CA C 20 43.576 63.171 -19.595 1
1 53 . 13 1 1 S 11 11 PRO CB C 20 32.801 31.856 0.945 1
1 55 . 13 1 1 S 12 12 LEU H H 21 7.790 8.253 -0.463 1
1 56 . 13 1 1 S 12 12 LEU HA H 21 3.896 4.075 -0.179 1
1 66 . 13 1 1 S 12 12 LEU CA C 21 39.620 58.020 -18.400 1
1 67 . 13 1 1 S 12 12 LEU CB C 21 42.245 41.743 0.502 1
1 71 . 13 1 1 S 12 12 LEU N N 21 123.727 124.990 -1.263 1
1 72 . 13 1 1 S 13 13 ALA H H 22 8.995 8.284 0.711 1
1 73 . 13 1 1 S 13 13 ALA HA H 22 3.943 4.129 -0.186 1
1 77 . 13 1 1 S 13 13 ALA CA C 22 36.717 55.596 -18.879 1
1 78 . 13 1 1 S 13 13 ALA CB C 22 37.456 18.259 19.197 1
1 79 . 13 1 1 S 13 13 ALA N N 22 116.790 121.433 -4.643 1
1 80 . 13 1 1 S 14 14 ASP H H 23 7.393 8.161 -0.768 1
1 81 . 13 1 1 S 14 14 ASP HA H 23 4.387 4.399 -0.012 1
1 84 . 13 1 1 S 14 14 ASP CB C 23 40.902 40.641 0.261 1
1 85 . 13 1 1 S 14 14 ASP N N 23 115.403 119.901 -4.498 1
1 86 . 13 1 1 S 15 15 LEU H H 24 7.452 7.745 -0.293 1
1 87 . 13 1 1 S 15 15 LEU HA H 24 4.281 4.193 0.088 1
1 97 . 13 1 1 S 15 15 LEU CA C 24 35.761 57.212 -21.451 1
1 98 . 13 1 1 S 15 15 LEU CB C 24 41.179 41.779 -0.600 1
1 101 . 13 1 1 S 15 15 LEU N N 24 116.328 116.966 -0.638 1
1 102 . 13 1 1 S 16 16 LEU H H 25 7.396 7.847 -0.451 1
1 103 . 13 1 1 S 16 16 LEU HA H 25 4.350 4.241 0.109 1
1 112 . 13 1 1 S 16 16 LEU CA C 25 36.365 56.984 -20.619 1
1 113 . 13 1 1 S 16 16 LEU CB C 25 42.493 42.953 -0.460 1
1 116 . 13 1 1 S 16 16 LEU N N 25 116.790 120.231 -3.441 1
1 117 . 13 1 1 S 17 17 ALA H H 26 6.894 7.503 -0.609 1
1 118 . 13 1 1 S 17 17 ALA HA H 26 4.349 4.607 -0.258 1
1 122 . 13 1 1 S 17 17 ALA CB C 26 39.296 19.341 19.955 1
1 123 . 13 1 1 S 17 17 ALA N N 26 122.802 120.436 2.366 1
1 124 . 13 1 1 S 18 18 ARG H H 27 8.019 7.507 0.512 1
1 125 . 13 1 1 S 18 18 ARG HA H 27 4.429 4.880 -0.451 1
1 132 . 13 1 1 S 18 18 ARG CA C 27 32.436 53.297 -20.861 1
1 133 . 13 1 1 S 18 18 ARG CB C 27 31.405 34.106 -2.701 1
1 136 . 13 1 1 S 18 18 ARG N N 27 116.328 117.671 -1.343 1
1 137 . 13 1 1 S 19 19 PRO HA H 28 4.483 4.380 0.103 1
1 144 . 13 1 1 S 19 19 PRO CA C 28 43.719 63.267 -19.548 1
1 145 . 13 1 1 S 19 19 PRO CB C 28 35.007 31.632 3.375 1
1 148 . 13 1 1 S 20 20 LEU H H 29 8.634 8.187 0.447 1
1 149 . 13 1 1 S 20 20 LEU HA H 29 4.286 4.774 -0.488 1
1 159 . 13 1 1 S 20 20 LEU CA C 29 34.887 53.065 -18.178 1
1 160 . 13 1 1 S 20 20 LEU CB C 29 42.067 41.977 0.090 1
1 163 . 13 1 1 S 20 20 LEU N N 29 123.033 120.605 2.428 1
1 164 . 13 1 1 S 21 21 PRO HA H 30 4.273 4.638 -0.365 1
1 171 . 13 1 1 S 21 21 PRO CA C 30 43.649 62.278 -18.629 1
1 172 . 13 1 1 S 21 21 PRO CB C 30 31.638 33.288 -1.650 1
1 175 . 13 1 1 S 22 22 GLU H H 31 8.522 8.793 -0.271 1
1 176 . 13 1 1 S 22 22 GLU HA H 31 3.988 4.321 -0.333 1
1 180 . 13 1 1 S 22 22 GLU CA C 31 39.044 58.639 -19.595 1
1 181 . 13 1 1 S 22 22 GLU CB C 31 29.490 30.194 -0.704 1
1 183 . 13 1 1 S 22 22 GLU N N 31 123.264 120.303 2.961 1
1 184 . 13 1 1 S 23 23 GLY H H 32 8.783 8.505 0.278 1
1 185 . 13 1 1 S 23 23 GLY HA2 H 32 4.177 3.912 0.265 1
1 186 . 13 1 1 S 23 23 GLY HA3 H 32 3.697 3.914 -0.217 1
1 187 . 13 1 1 S 23 23 GLY CA C 32 45.506 46.929 -1.423 1
1 188 . 13 1 1 S 23 23 GLY N N 32 111.472 108.133 3.339 1
1 189 . 13 1 1 S 24 24 VAL H H 33 6.850 7.584 -0.734 1
1 190 . 13 1 1 S 24 24 VAL HA H 33 3.805 2.791 1.014 1
1 198 . 13 1 1 S 24 24 VAL CA C 33 42.632 62.069 -19.437 1
1 199 . 13 1 1 S 24 24 VAL CB C 33 32.321 30.943 1.378 1
1 202 . 13 1 1 S 24 24 VAL N N 33 117.021 119.988 -2.967 1
1 203 . 13 1 1 S 25 25 ASP H H 34 8.276 8.959 -0.683 1
1 206 . 13 1 1 S 25 25 ASP CB C 34 41.766 40.398 1.368 1
1 207 . 13 1 1 S 25 25 ASP N N 34 126.270 128.485 -2.215 1
1 208 . 13 1 1 S 26 26 PRO HA H 35 4.082 4.652 -0.570 1
1 215 . 13 1 1 S 26 26 PRO CA C 35 44.876 64.016 -19.140 1
1 216 . 13 1 1 S 26 26 PRO CB C 35 32.282 31.766 0.516 1
1 219 . 13 1 1 S 27 27 LEU H H 36 8.583 8.259 0.324 1
1 220 . 13 1 1 S 27 27 LEU HA H 36 4.361 4.441 -0.080 1
1 230 . 13 1 1 S 27 27 LEU CA C 36 36.955 53.985 -17.030 1
1 231 . 13 1 1 S 27 27 LEU CB C 36 41.466 43.226 -1.760 1
1 235 . 13 1 1 S 27 27 LEU N N 36 118.640 116.237 2.403 1
1 236 . 13 1 1 S 28 28 LYS H H 37 7.838 7.242 0.596 1
1 237 . 13 1 1 S 28 28 LYS HA H 37 5.037 4.839 0.198 1
1 243 . 13 1 1 S 28 28 LYS CA C 37 35.415 55.364 -19.949 1
1 244 . 13 1 1 S 28 28 LYS CB C 37 33.967 32.731 1.236 1
1 247 . 13 1 1 S 28 28 LYS N N 37 120.258 116.798 3.460 1
1 248 . 13 1 1 S 29 29 LEU H H 38 8.203 8.607 -0.404 1
1 249 . 13 1 1 S 29 29 LEU HA H 38 4.266 2.581 1.685 1
1 259 . 13 1 1 S 29 29 LEU CA C 38 39.317 56.536 -17.219 1
1 262 . 13 1 1 S 29 29 LEU N N 38 117.021 124.426 -7.405 1
1 263 . 13 1 1 S 30 30 GLU H H 39 10.041 8.083 1.958 1
1 264 . 13 1 1 S 30 30 GLU HA H 39 4.086 3.468 0.618 1
1 269 . 13 1 1 S 30 30 GLU CA C 39 39.629 58.476 -18.847 1
1 270 . 13 1 1 S 30 30 GLU CB C 39 45.835 28.646 17.189 1
1 272 . 13 1 1 S 30 30 GLU N N 39 114.478 117.009 -2.531 1
1 273 . 13 1 1 S 31 31 ILE H H 40 7.920 7.504 0.416 1
1 274 . 13 1 1 S 31 31 ILE HA H 40 4.266 4.002 0.264 1
1 284 . 13 1 1 S 31 31 ILE CA C 40 44.411 63.696 -19.285 1
1 285 . 13 1 1 S 31 31 ILE CB C 40 37.472 37.384 0.088 1
1 289 . 13 1 1 S 31 31 ILE N N 40 116.790 116.389 0.401 1
1 290 . 13 1 1 S 32 32 TYR H H 41 7.426 7.874 -0.448 1
1 291 . 13 1 1 S 32 32 TYR HA H 41 4.928 4.738 0.190 1
1 296 . 13 1 1 S 32 32 TYR CB C 41 39.324 38.984 0.340 1
1 297 . 13 1 1 S 32 32 TYR N N 41 119.565 117.419 2.146 1
1 298 . 13 1 1 S 33 33 LEU H H 42 6.749 7.379 -0.630 1
1 299 . 13 1 1 S 33 33 LEU HA H 42 5.266 4.935 0.331 1
1 309 . 13 1 1 S 33 33 LEU CA C 42 33.953 53.336 -19.383 1
1 310 . 13 1 1 S 33 33 LEU CB C 42 45.122 44.504 0.618 1
1 314 . 13 1 1 S 33 33 LEU N N 42 114.709 117.221 -2.512 1
1 315 . 13 1 1 S 34 34 THR H H 43 9.549 8.860 0.689 1
1 316 . 13 1 1 S 34 34 THR HA H 43 4.319 4.523 -0.204 1
1 322 . 13 1 1 S 34 34 THR CA C 43 42.615 61.622 -19.007 1
1 323 . 13 1 1 S 34 34 THR CB C 43 34.267 70.559 -36.292 1
1 325 . 13 1 1 S 34 34 THR N N 43 115.172 114.340 0.832 1
1 326 . 13 1 1 S 35 35 ASP H H 44 9.173 9.225 -0.052 1
1 327 . 13 1 1 S 35 35 ASP HA H 44 4.361 4.445 -0.084 1
1 330 . 13 1 1 S 35 35 ASP CA C 44 39.549 56.961 -17.412 1
1 331 . 13 1 1 S 35 35 ASP CB C 44 39.585 40.070 -0.485 1
1 332 . 13 1 1 S 35 35 ASP N N 44 122.339 121.739 0.600 1
1 333 . 13 1 1 S 36 36 GLU H H 45 8.781 8.164 0.617 1
1 334 . 13 1 1 S 36 36 GLU HA H 45 4.119 4.107 0.012 1
1 339 . 13 1 1 S 36 36 GLU CA C 45 41.388 59.074 -17.686 1
1 340 . 13 1 1 S 36 36 GLU CB C 45 29.301 29.582 -0.281 1
1 342 . 13 1 1 S 36 36 GLU N N 45 118.640 120.373 -1.733 1
1 343 . 13 1 1 S 37 37 ASP H H 46 7.864 7.971 -0.107 1
1 344 . 13 1 1 S 37 37 ASP HA H 46 4.726 4.472 0.254 1
1 347 . 13 1 1 S 37 37 ASP CA C 46 38.055 57.003 -18.948 1
1 348 . 13 1 1 S 37 37 ASP CB C 46 41.567 40.840 0.727 1
1 349 . 13 1 1 S 37 37 ASP N N 46 121.646 120.628 1.018 1
1 350 . 13 1 1 S 38 38 PHE H H 47 9.196 9.444 -0.248 1
1 351 . 13 1 1 S 38 38 PHE HA H 47 3.753 4.166 -0.413 1
1 357 . 13 1 1 S 38 38 PHE CA C 47 43.221 61.124 -17.903 1
1 358 . 13 1 1 S 38 38 PHE CB C 47 40.280 39.133 1.147 1
1 359 . 13 1 1 S 38 38 PHE N N 47 122.802 119.651 3.151 1
1 360 . 13 1 1 S 39 39 GLU H H 48 8.496 9.442 -0.946 1
1 361 . 13 1 1 S 39 39 GLU HA H 48 4.413 4.038 0.375 1
1 365 . 13 1 1 S 39 39 GLU CA C 48 40.140 59.346 -19.206 1
1 366 . 13 1 1 S 39 39 GLU CB C 48 29.498 29.500 -0.002 1
1 368 . 13 1 1 S 39 39 GLU N N 48 118.177 118.695 -0.518 1
1 369 . 13 1 1 S 40 40 PHE H H 49 7.898 8.605 -0.707 1
1 370 . 13 1 1 S 40 40 PHE HA H 49 4.320 4.275 0.045 1
1 376 . 13 1 1 S 40 40 PHE CA C 49 41.713 60.962 -19.249 1
1 377 . 13 1 1 S 40 40 PHE CB C 49 39.847 38.808 1.039 1
1 378 . 13 1 1 S 40 40 PHE N N 49 119.565 120.938 -1.373 1
1 379 . 13 1 1 S 41 41 ALA H H 50 8.637 7.579 1.058 1
1 380 . 13 1 1 S 41 41 ALA HA H 50 3.947 4.463 -0.516 1
1 384 . 13 1 1 S 41 41 ALA CA C 50 35.451 53.794 -18.343 1
1 385 . 13 1 1 S 41 41 ALA CB C 50 39.091 20.126 18.965 1
1 386 . 13 1 1 S 41 41 ALA N N 50 119.565 122.493 -2.928 1
1 387 . 13 1 1 S 42 42 LEU H H 51 8.275 7.824 0.451 1
1 388 . 13 1 1 S 42 42 LEU HA H 51 4.142 4.430 -0.288 1
1 397 . 13 1 1 S 42 42 LEU CA C 51 35.946 54.502 -18.556 1
1 398 . 13 1 1 S 42 42 LEU CB C 51 41.238 42.645 -1.407 1
1 402 . 13 1 1 S 42 42 LEU N N 51 113.553 115.893 -2.340 1
1 403 . 13 1 1 S 43 43 ASP H H 52 7.841 8.031 -0.190 1
1 404 . 13 1 1 S 43 43 ASP HA H 52 4.483 4.687 -0.204 1
1 407 . 13 1 1 S 43 43 ASP CA C 52 36.572 55.488 -18.916 1
1 408 . 13 1 1 S 43 43 ASP CB C 52 39.869 39.564 0.305 1
1 409 . 13 1 1 S 43 43 ASP N N 52 115.865 117.159 -1.294 1
1 410 . 13 1 1 S 44 44 MET H H 53 7.424 7.136 0.288 1
1 411 . 13 1 1 S 44 44 MET HA H 53 4.753 4.859 -0.106 1
1 419 . 13 1 1 S 44 44 MET CA C 53 36.030 53.853 -17.823 1
1 420 . 13 1 1 S 44 44 MET CB C 53 34.947 37.437 -2.490 1
1 422 . 13 1 1 S 44 44 MET N N 53 111.703 117.189 -5.486 1
1 423 . 13 1 1 S 45 45 THR H H 54 8.372 8.001 0.371 1
1 424 . 13 1 1 S 45 45 THR HA H 54 4.526 3.829 0.697 1
1 429 . 13 1 1 S 45 45 THR CA C 54 41.951 58.681 -16.730 1
1 430 . 13 1 1 S 45 45 THR CB C 54 33.933 71.007 -37.074 1
1 432 . 13 1 1 S 45 45 THR N N 54 107.079 113.005 -5.926 1
1 433 . 13 1 1 S 46 46 ARG H H 55 8.999 8.481 0.518 1
1 434 . 13 1 1 S 46 46 ARG HA H 55 3.469 3.930 -0.461 1
1 441 . 13 1 1 S 46 46 ARG CA C 55 41.154 58.967 -17.813 1
1 442 . 13 1 1 S 46 46 ARG CB C 55 29.806 30.098 -0.292 1
1 445 . 13 1 1 S 46 46 ARG N N 55 122.570 125.592 -3.022 1
1 447 . 13 1 1 S 47 47 ASP H H 56 8.199 7.558 0.641 1
1 448 . 13 1 1 S 47 47 ASP HA H 56 4.334 4.432 -0.098 1
1 451 . 13 1 1 S 47 47 ASP CB C 56 40.724 41.130 -0.406 1
1 452 . 13 1 1 S 47 47 ASP N N 56 116.559 117.818 -1.259 1
1 453 . 13 1 1 S 48 48 GLU H H 57 7.547 8.170 -0.623 1
1 454 . 13 1 1 S 48 48 GLU HA H 57 3.920 4.140 -0.220 1
1 458 . 13 1 1 S 48 48 GLU CA C 57 40.418 58.246 -17.828 1
1 459 . 13 1 1 S 48 48 GLU CB C 57 29.932 30.227 -0.295 1
1 461 . 13 1 1 S 48 48 GLU N N 57 120.721 119.507 1.214 1
1 462 . 13 1 1 S 49 49 TYR H H 58 8.535 7.999 0.536 1
1 463 . 13 1 1 S 49 49 TYR HA H 58 4.181 4.120 0.061 1
1 468 . 13 1 1 S 49 49 TYR CA C 58 42.353 61.249 -18.896 1
1 469 . 13 1 1 S 49 49 TYR CB C 58 39.530 37.592 1.938 1
1 470 . 13 1 1 S 49 49 TYR N N 58 122.570 119.532 3.038 1
1 471 . 13 1 1 S 50 50 ASN H H 59 8.869 8.272 0.597 1
1 472 . 13 1 1 S 50 50 ASN HA H 59 4.293 4.396 -0.103 1
1 476 . 13 1 1 S 50 50 ASN CA C 59 35.728 56.342 -20.614 1
1 477 . 13 1 1 S 50 50 ASN CB C 59 38.117 38.133 -0.016 1
1 478 . 13 1 1 S 50 50 ASN N N 59 117.484 116.834 0.650 1
1 480 . 13 1 1 S 51 51 ALA H H 60 7.146 7.117 0.029 1
1 481 . 13 1 1 S 51 51 ALA HA H 60 4.342 4.425 -0.083 1
1 485 . 13 1 1 S 51 51 ALA CA C 60 33.070 52.334 -19.264 1
1 486 . 13 1 1 S 51 51 ALA CB C 60 38.063 20.366 17.697 1
1 487 . 13 1 1 S 51 51 ALA N N 60 120.027 119.700 0.327 1
1 488 . 13 1 1 S 52 52 LEU H H 61 7.396 7.168 0.228 1
1 489 . 13 1 1 S 52 52 LEU HA H 61 4.338 4.394 -0.056 1
1 499 . 13 1 1 S 52 52 LEU CA C 61 33.941 53.846 -19.905 1
1 500 . 13 1 1 S 52 52 LEU CB C 61 42.540 42.047 0.493 1
1 504 . 13 1 1 S 52 52 LEU N N 61 121.183 122.049 -0.866 1
1 505 . 13 1 1 S 53 53 PRO HA H 62 4.381 4.470 -0.089 1
1 512 . 13 1 1 S 53 53 PRO CA C 62 43.181 63.138 -19.957 1
1 513 . 13 1 1 S 53 53 PRO CB C 62 32.503 32.494 0.009 1
1 516 . 13 1 1 S 54 54 ALA H H 63 8.847 8.627 0.220 1
1 517 . 13 1 1 S 54 54 ALA HA H 63 3.953 3.900 0.053 1
1 521 . 13 1 1 S 54 54 ALA CA C 63 36.779 54.426 -17.647 1
1 522 . 13 1 1 S 54 54 ALA CB C 63 36.769 18.227 18.542 1
1 523 . 13 1 1 S 54 54 ALA N N 63 126.270 126.524 -0.254 1
1 524 . 13 1 1 S 55 55 TRP H H 64 7.875 7.958 -0.083 1
1 525 . 13 1 1 S 55 55 TRP HA H 64 4.378 4.438 -0.060 1
1 534 . 13 1 1 S 55 55 TRP CA C 64 39.808 59.957 -20.149 1
1 535 . 13 1 1 S 55 55 TRP CB C 64 45.794 29.296 16.498 1
1 536 . 13 1 1 S 55 55 TRP N N 64 113.553 119.725 -6.172 1
1 538 . 13 1 1 S 56 56 LYS H H 65 6.197 7.727 -1.530 1
1 539 . 13 1 1 S 56 56 LYS HA H 65 3.631 2.485 1.146 1
1 547 . 13 1 1 S 56 56 LYS CA C 65 39.976 58.933 -18.957 1
1 548 . 13 1 1 S 56 56 LYS CB C 65 32.615 31.732 0.883 1
1 551 . 13 1 1 S 56 56 LYS N N 65 122.802 121.855 0.947 1
1 552 . 13 1 1 S 57 57 GLN H H 66 7.521 7.859 -0.338 1
1 553 . 13 1 1 S 57 57 GLN HA H 66 3.585 3.063 0.522 1
1 560 . 13 1 1 S 57 57 GLN CA C 66 40.775 57.757 -16.982 1
1 561 . 13 1 1 S 57 57 GLN CB C 66 46.154 27.696 18.458 1
1 563 . 13 1 1 S 57 57 GLN N N 66 120.480 117.209 3.271 1
1 565 . 13 1 1 S 58 58 VAL H H 67 7.775 7.738 0.037 1
1 566 . 13 1 1 S 58 58 VAL HA H 67 3.197 2.936 0.261 1
1 574 . 13 1 1 S 58 58 VAL CA C 67 29.564 65.710 -36.146 1
1 575 . 13 1 1 S 58 58 VAL CB C 67 31.723 31.805 -0.082 1
1 578 . 13 1 1 S 58 58 VAL N N 67 117.021 120.474 -3.453 1
1 579 . 13 1 1 S 59 59 ASN H H 68 7.497 9.173 -1.676 1
1 580 . 13 1 1 S 59 59 ASN HA H 68 4.310 4.501 -0.191 1
1 584 . 13 1 1 S 59 59 ASN CA C 68 37.310 56.444 -19.134 1
1 585 . 13 1 1 S 59 59 ASN CB C 68 37.866 38.583 -0.717 1
1 586 . 13 1 1 S 59 59 ASN N N 68 118.177 118.516 -0.339 1
1 588 . 13 1 1 S 60 60 LEU H H 69 8.144 7.422 0.722 1
1 589 . 13 1 1 S 60 60 LEU HA H 69 4.226 4.150 0.076 1
1 599 . 13 1 1 S 60 60 LEU CA C 69 39.078 57.593 -18.515 1
1 600 . 13 1 1 S 60 60 LEU CB C 69 42.244 41.993 0.251 1
1 603 . 13 1 1 S 60 60 LEU N N 69 122.570 119.763 2.807 1
1 604 . 13 1 1 S 61 61 LYS H H 70 8.190 7.985 0.205 1
1 605 . 13 1 1 S 61 61 LYS HA H 70 3.610 3.946 -0.336 1
1 611 . 13 1 1 S 61 61 LYS CA C 70 43.383 60.225 -16.842 1
1 612 . 13 1 1 S 61 61 LYS CB C 70 32.375 32.052 0.323 1
1 614 . 13 1 1 S 61 61 LYS N N 70 116.790 116.600 0.190 1
1 615 . 13 1 1 S 62 62 LYS H H 71 8.863 8.413 0.450 1
1 616 . 13 1 1 S 62 62 LYS HA H 71 4.121 4.236 -0.115 1
1 623 . 13 1 1 S 62 62 LYS CA C 71 41.331 59.485 -18.154 1
1 624 . 13 1 1 S 62 62 LYS CB C 71 32.973 32.238 0.735 1
1 628 . 13 1 1 S 62 62 LYS N N 71 119.102 119.172 -0.070 1
1 629 . 13 1 1 S 63 63 ALA H H 72 7.734 8.040 -0.306 1
1 630 . 13 1 1 S 63 63 ALA HA H 72 4.211 4.130 0.081 1
1 634 . 13 1 1 S 63 63 ALA CA C 72 35.710 54.753 -19.043 1
1 635 . 13 1 1 S 63 63 ALA CB C 72 37.243 18.537 18.706 1
1 636 . 13 1 1 S 63 63 ALA N N 72 121.414 120.436 0.978 1
1 637 . 13 1 1 S 64 64 LYS H H 73 7.546 7.474 0.072 1
1 638 . 13 1 1 S 64 64 LYS HA H 73 4.468 4.395 0.073 1
1 644 . 13 1 1 S 64 64 LYS CA C 73 34.628 56.007 -21.379 1
1 645 . 13 1 1 S 64 64 LYS CB C 73 32.588 32.900 -0.312 1
1 646 . 13 1 1 S 64 64 LYS N N 73 114.016 115.950 -1.934 1
1 647 . 13 1 1 S 65 65 GLY H H 74 7.508 7.932 -0.424 1
1 648 . 13 1 1 S 65 65 GLY HA2 H 74 4.260 3.975 0.285 1
1 649 . 13 1 1 S 65 65 GLY HA3 H 74 4.012 3.984 0.028 1
1 650 . 13 1 1 S 65 65 GLY CA C 74 46.235 46.416 -0.181 1
1 651 . 13 1 1 S 65 65 GLY N N 74 105.692 108.192 -2.500 1
1 652 . 13 1 1 S 66 66 LEU H H 75 8.400 9.104 -0.704 1
1 653 . 13 1 1 S 66 66 LEU HA H 75 4.519 4.204 0.315 1
1 663 . 13 1 1 S 66 66 LEU CA C 75 34.331 58.008 -23.677 1
1 664 . 13 1 1 S 66 66 LEU CB C 75 42.886 41.942 0.944 1
1 668 . 13 1 1 S 66 66 LEU N N 75 120.952 119.275 1.677 1
1 1 . 14 1 1 S 6 6 CYS HA H 15 4.540 5.366 -0.826 1
1 4 . 14 1 1 S 6 6 CYS CB C 15 28.556 30.831 -2.275 1
1 5 . 14 1 1 S 7 7 LYS HA H 16 4.376 4.547 -0.171 1
1 8 . 14 1 1 S 7 7 LYS CA C 16 37.775 56.765 -18.990 1
1 9 . 14 1 1 S 7 7 LYS CB C 16 33.150 33.385 -0.235 1
1 10 . 14 1 1 S 8 8 THR H H 17 8.305 8.755 -0.450 1
1 11 . 14 1 1 S 8 8 THR HA H 17 4.320 4.906 -0.586 1
1 16 . 14 1 1 S 8 8 THR CA C 17 44.017 60.667 -16.650 1
1 17 . 14 1 1 S 8 8 THR CB C 17 31.886 71.259 -39.373 1
1 19 . 14 1 1 S 8 8 THR N N 17 115.400 116.271 -0.871 1
1 20 . 14 1 1 S 9 9 ILE H H 18 7.450 9.071 -1.621 1
1 21 . 14 1 1 S 9 9 ILE HA H 18 5.077 4.662 0.415 1
1 31 . 14 1 1 S 9 9 ILE CA C 18 38.964 60.302 -21.338 1
1 32 . 14 1 1 S 9 9 ILE CB C 18 40.553 38.792 1.761 1
1 36 . 14 1 1 S 9 9 ILE N N 18 122.802 130.054 -7.252 1
1 37 . 14 1 1 S 10 10 TYR H H 19 9.151 8.334 0.817 1
1 38 . 14 1 1 S 10 10 TYR HA H 19 4.927 4.903 0.024 1
1 43 . 14 1 1 S 10 10 TYR CB C 19 41.335 39.257 2.078 1
1 44 . 14 1 1 S 10 10 TYR N N 19 124.420 124.512 -0.092 1
1 45 . 14 1 1 S 11 11 PRO HA H 20 4.496 4.559 -0.063 1
1 52 . 14 1 1 S 11 11 PRO CA C 20 43.576 63.161 -19.585 1
1 53 . 14 1 1 S 11 11 PRO CB C 20 32.801 31.819 0.982 1
1 55 . 14 1 1 S 12 12 LEU H H 21 7.790 8.199 -0.409 1
1 56 . 14 1 1 S 12 12 LEU HA H 21 3.896 4.062 -0.166 1
1 66 . 14 1 1 S 12 12 LEU CA C 21 39.620 58.008 -18.388 1
1 67 . 14 1 1 S 12 12 LEU CB C 21 42.245 41.762 0.483 1
1 71 . 14 1 1 S 12 12 LEU N N 21 123.727 124.943 -1.216 1
1 72 . 14 1 1 S 13 13 ALA H H 22 8.995 8.279 0.716 1
1 73 . 14 1 1 S 13 13 ALA HA H 22 3.943 4.082 -0.139 1
1 77 . 14 1 1 S 13 13 ALA CA C 22 36.717 55.843 -19.126 1
1 78 . 14 1 1 S 13 13 ALA CB C 22 37.456 18.168 19.288 1
1 79 . 14 1 1 S 13 13 ALA N N 22 116.790 121.435 -4.645 1
1 80 . 14 1 1 S 14 14 ASP H H 23 7.393 7.978 -0.585 1
1 81 . 14 1 1 S 14 14 ASP HA H 23 4.387 4.406 -0.019 1
1 84 . 14 1 1 S 14 14 ASP CB C 23 40.902 40.421 0.481 1
1 85 . 14 1 1 S 14 14 ASP N N 23 115.403 119.374 -3.971 1
1 86 . 14 1 1 S 15 15 LEU H H 24 7.452 7.644 -0.192 1
1 87 . 14 1 1 S 15 15 LEU HA H 24 4.281 4.241 0.040 1
1 97 . 14 1 1 S 15 15 LEU CA C 24 35.761 56.796 -21.035 1
1 98 . 14 1 1 S 15 15 LEU CB C 24 41.179 42.045 -0.866 1
1 101 . 14 1 1 S 15 15 LEU N N 24 116.328 116.337 -0.009 1
1 102 . 14 1 1 S 16 16 LEU H H 25 7.396 8.195 -0.799 1
1 103 . 14 1 1 S 16 16 LEU HA H 25 4.350 4.207 0.143 1
1 112 . 14 1 1 S 16 16 LEU CA C 25 36.365 56.727 -20.362 1
1 113 . 14 1 1 S 16 16 LEU CB C 25 42.493 42.658 -0.165 1
1 116 . 14 1 1 S 16 16 LEU N N 25 116.790 120.814 -4.024 1
1 117 . 14 1 1 S 17 17 ALA H H 26 6.894 7.473 -0.579 1
1 118 . 14 1 1 S 17 17 ALA HA H 26 4.349 4.562 -0.213 1
1 122 . 14 1 1 S 17 17 ALA CB C 26 39.296 19.552 19.744 1
1 123 . 14 1 1 S 17 17 ALA N N 26 122.802 120.340 2.462 1
1 124 . 14 1 1 S 18 18 ARG H H 27 8.019 7.257 0.762 1
1 125 . 14 1 1 S 18 18 ARG HA H 27 4.429 4.923 -0.494 1
1 132 . 14 1 1 S 18 18 ARG CA C 27 32.436 53.973 -21.537 1
1 133 . 14 1 1 S 18 18 ARG CB C 27 31.405 33.436 -2.031 1
1 136 . 14 1 1 S 18 18 ARG N N 27 116.328 115.078 1.250 1
1 137 . 14 1 1 S 19 19 PRO HA H 28 4.483 4.566 -0.083 1
1 144 . 14 1 1 S 19 19 PRO CA C 28 43.719 62.288 -18.569 1
1 145 . 14 1 1 S 19 19 PRO CB C 28 35.007 29.470 5.537 1
1 148 . 14 1 1 S 20 20 LEU H H 29 8.634 8.309 0.325 1
1 149 . 14 1 1 S 20 20 LEU HA H 29 4.286 4.745 -0.459 1
1 159 . 14 1 1 S 20 20 LEU CA C 29 34.887 53.049 -18.162 1
1 160 . 14 1 1 S 20 20 LEU CB C 29 42.067 41.887 0.180 1
1 163 . 14 1 1 S 20 20 LEU N N 29 123.033 119.491 3.542 1
1 164 . 14 1 1 S 21 21 PRO HA H 30 4.273 4.590 -0.317 1
1 171 . 14 1 1 S 21 21 PRO CA C 30 43.649 62.338 -18.689 1
1 172 . 14 1 1 S 21 21 PRO CB C 30 31.638 33.311 -1.673 1
1 175 . 14 1 1 S 22 22 GLU H H 31 8.522 8.796 -0.274 1
1 176 . 14 1 1 S 22 22 GLU HA H 31 3.988 4.376 -0.388 1
1 180 . 14 1 1 S 22 22 GLU CA C 31 39.044 57.594 -18.550 1
1 181 . 14 1 1 S 22 22 GLU CB C 31 29.490 29.738 -0.248 1
1 183 . 14 1 1 S 22 22 GLU N N 31 123.264 120.445 2.819 1
1 184 . 14 1 1 S 23 23 GLY H H 32 8.783 8.395 0.388 1
1 185 . 14 1 1 S 23 23 GLY HA2 H 32 4.177 3.958 0.219 1
1 186 . 14 1 1 S 23 23 GLY HA3 H 32 3.697 3.964 -0.267 1
1 187 . 14 1 1 S 23 23 GLY CA C 32 45.506 46.591 -1.085 1
1 188 . 14 1 1 S 23 23 GLY N N 32 111.472 107.642 3.830 1
1 189 . 14 1 1 S 24 24 VAL H H 33 6.850 7.408 -0.558 1
1 190 . 14 1 1 S 24 24 VAL HA H 33 3.805 3.476 0.329 1
1 198 . 14 1 1 S 24 24 VAL CA C 33 42.632 60.765 -18.133 1
1 199 . 14 1 1 S 24 24 VAL CB C 33 32.321 32.050 0.271 1
1 202 . 14 1 1 S 24 24 VAL N N 33 117.021 118.457 -1.436 1
1 203 . 14 1 1 S 25 25 ASP H H 34 8.276 8.980 -0.704 1
1 206 . 14 1 1 S 25 25 ASP CB C 34 41.766 41.755 0.011 1
1 207 . 14 1 1 S 25 25 ASP N N 34 126.270 125.473 0.797 1
1 208 . 14 1 1 S 26 26 PRO HA H 35 4.082 4.405 -0.323 1
1 215 . 14 1 1 S 26 26 PRO CA C 35 44.876 65.674 -20.798 1
1 216 . 14 1 1 S 26 26 PRO CB C 35 32.282 32.067 0.215 1
1 219 . 14 1 1 S 27 27 LEU H H 36 8.583 8.302 0.281 1
1 220 . 14 1 1 S 27 27 LEU HA H 36 4.361 4.416 -0.055 1
1 230 . 14 1 1 S 27 27 LEU CA C 36 36.955 55.707 -18.752 1
1 231 . 14 1 1 S 27 27 LEU CB C 36 41.466 41.441 0.025 1
1 235 . 14 1 1 S 27 27 LEU N N 36 118.640 114.611 4.029 1
1 236 . 14 1 1 S 28 28 LYS H H 37 7.838 8.481 -0.643 1
1 237 . 14 1 1 S 28 28 LYS HA H 37 5.037 4.170 0.867 1
1 243 . 14 1 1 S 28 28 LYS CA C 37 35.415 55.019 -19.604 1
1 244 . 14 1 1 S 28 28 LYS CB C 37 33.967 34.140 -0.173 1
1 247 . 14 1 1 S 28 28 LYS N N 37 120.258 116.514 3.744 1
1 248 . 14 1 1 S 29 29 LEU H H 38 8.203 8.446 -0.243 1
1 249 . 14 1 1 S 29 29 LEU HA H 38 4.266 3.563 0.703 1
1 259 . 14 1 1 S 29 29 LEU CA C 38 39.317 57.198 -17.881 1
1 262 . 14 1 1 S 29 29 LEU N N 38 117.021 124.364 -7.343 1
1 263 . 14 1 1 S 30 30 GLU H H 39 10.041 7.893 2.148 1
1 264 . 14 1 1 S 30 30 GLU HA H 39 4.086 3.518 0.568 1
1 269 . 14 1 1 S 30 30 GLU CA C 39 39.629 58.523 -18.894 1
1 270 . 14 1 1 S 30 30 GLU CB C 39 45.835 28.643 17.192 1
1 272 . 14 1 1 S 30 30 GLU N N 39 114.478 116.580 -2.102 1
1 273 . 14 1 1 S 31 31 ILE H H 40 7.920 7.442 0.478 1
1 274 . 14 1 1 S 31 31 ILE HA H 40 4.266 3.777 0.489 1
1 284 . 14 1 1 S 31 31 ILE CA C 40 44.411 64.300 -19.889 1
1 285 . 14 1 1 S 31 31 ILE CB C 40 37.472 37.328 0.144 1
1 289 . 14 1 1 S 31 31 ILE N N 40 116.790 117.309 -0.519 1
1 290 . 14 1 1 S 32 32 TYR H H 41 7.426 7.545 -0.119 1
1 291 . 14 1 1 S 32 32 TYR HA H 41 4.928 4.626 0.302 1
1 296 . 14 1 1 S 32 32 TYR CB C 41 39.324 38.742 0.582 1
1 297 . 14 1 1 S 32 32 TYR N N 41 119.565 118.195 1.370 1
1 298 . 14 1 1 S 33 33 LEU H H 42 6.749 6.929 -0.180 1
1 299 . 14 1 1 S 33 33 LEU HA H 42 5.266 4.844 0.422 1
1 309 . 14 1 1 S 33 33 LEU CA C 42 33.953 53.084 -19.131 1
1 310 . 14 1 1 S 33 33 LEU CB C 42 45.122 44.776 0.346 1
1 314 . 14 1 1 S 33 33 LEU N N 42 114.709 116.684 -1.975 1
1 315 . 14 1 1 S 34 34 THR H H 43 9.549 8.807 0.742 1
1 316 . 14 1 1 S 34 34 THR HA H 43 4.319 4.709 -0.390 1
1 322 . 14 1 1 S 34 34 THR CA C 43 42.615 61.213 -18.598 1
1 323 . 14 1 1 S 34 34 THR CB C 43 34.267 70.800 -36.533 1
1 325 . 14 1 1 S 34 34 THR N N 43 115.172 115.980 -0.808 1
1 326 . 14 1 1 S 35 35 ASP H H 44 9.173 9.136 0.037 1
1 327 . 14 1 1 S 35 35 ASP HA H 44 4.361 4.460 -0.099 1
1 330 . 14 1 1 S 35 35 ASP CA C 44 39.549 57.076 -17.527 1
1 331 . 14 1 1 S 35 35 ASP CB C 44 39.585 39.875 -0.290 1
1 332 . 14 1 1 S 35 35 ASP N N 44 122.339 121.251 1.088 1
1 333 . 14 1 1 S 36 36 GLU H H 45 8.781 8.157 0.624 1
1 334 . 14 1 1 S 36 36 GLU HA H 45 4.119 4.150 -0.031 1
1 339 . 14 1 1 S 36 36 GLU CA C 45 41.388 59.095 -17.707 1
1 340 . 14 1 1 S 36 36 GLU CB C 45 29.301 29.469 -0.168 1
1 342 . 14 1 1 S 36 36 GLU N N 45 118.640 120.411 -1.771 1
1 343 . 14 1 1 S 37 37 ASP H H 46 7.864 8.108 -0.244 1
1 344 . 14 1 1 S 37 37 ASP HA H 46 4.726 4.453 0.273 1
1 347 . 14 1 1 S 37 37 ASP CA C 46 38.055 57.062 -19.007 1
1 348 . 14 1 1 S 37 37 ASP CB C 46 41.567 41.071 0.496 1
1 349 . 14 1 1 S 37 37 ASP N N 46 121.646 120.687 0.959 1
1 350 . 14 1 1 S 38 38 PHE H H 47 9.196 8.773 0.423 1
1 351 . 14 1 1 S 38 38 PHE HA H 47 3.753 4.059 -0.306 1
1 357 . 14 1 1 S 38 38 PHE CA C 47 43.221 61.134 -17.913 1
1 358 . 14 1 1 S 38 38 PHE CB C 47 40.280 38.692 1.588 1
1 359 . 14 1 1 S 38 38 PHE N N 47 122.802 119.287 3.515 1
1 360 . 14 1 1 S 39 39 GLU H H 48 8.496 9.687 -1.191 1
1 361 . 14 1 1 S 39 39 GLU HA H 48 4.413 4.033 0.380 1
1 365 . 14 1 1 S 39 39 GLU CA C 48 40.140 59.582 -19.442 1
1 366 . 14 1 1 S 39 39 GLU CB C 48 29.498 29.373 0.125 1
1 368 . 14 1 1 S 39 39 GLU N N 48 118.177 116.961 1.216 1
1 369 . 14 1 1 S 40 40 PHE H H 49 7.898 8.229 -0.331 1
1 370 . 14 1 1 S 40 40 PHE HA H 49 4.320 4.212 0.108 1
1 376 . 14 1 1 S 40 40 PHE CA C 49 41.713 60.210 -18.497 1
1 377 . 14 1 1 S 40 40 PHE CB C 49 39.847 39.868 -0.021 1
1 378 . 14 1 1 S 40 40 PHE N N 49 119.565 121.881 -2.316 1
1 379 . 14 1 1 S 41 41 ALA H H 50 8.637 7.639 0.998 1
1 380 . 14 1 1 S 41 41 ALA HA H 50 3.947 4.400 -0.453 1
1 384 . 14 1 1 S 41 41 ALA CA C 50 35.451 54.061 -18.610 1
1 385 . 14 1 1 S 41 41 ALA CB C 50 39.091 19.488 19.603 1
1 386 . 14 1 1 S 41 41 ALA N N 50 119.565 121.536 -1.971 1
1 387 . 14 1 1 S 42 42 LEU H H 51 8.275 8.109 0.166 1
1 388 . 14 1 1 S 42 42 LEU HA H 51 4.142 4.504 -0.362 1
1 397 . 14 1 1 S 42 42 LEU CA C 51 35.946 54.372 -18.426 1
1 398 . 14 1 1 S 42 42 LEU CB C 51 41.238 42.800 -1.562 1
1 402 . 14 1 1 S 42 42 LEU N N 51 113.553 115.269 -1.716 1
1 403 . 14 1 1 S 43 43 ASP H H 52 7.841 8.052 -0.211 1
1 404 . 14 1 1 S 43 43 ASP HA H 52 4.483 4.605 -0.122 1
1 407 . 14 1 1 S 43 43 ASP CA C 52 36.572 55.372 -18.800 1
1 408 . 14 1 1 S 43 43 ASP CB C 52 39.869 39.489 0.380 1
1 409 . 14 1 1 S 43 43 ASP N N 52 115.865 117.130 -1.265 1
1 410 . 14 1 1 S 44 44 MET H H 53 7.424 7.665 -0.241 1
1 411 . 14 1 1 S 44 44 MET HA H 53 4.753 4.637 0.116 1
1 419 . 14 1 1 S 44 44 MET CA C 53 36.030 52.975 -16.945 1
1 420 . 14 1 1 S 44 44 MET CB C 53 34.947 33.912 1.035 1
1 422 . 14 1 1 S 44 44 MET N N 53 111.703 116.984 -5.281 1
1 423 . 14 1 1 S 45 45 THR H H 54 8.372 7.600 0.772 1
1 424 . 14 1 1 S 45 45 THR HA H 54 4.526 4.089 0.437 1
1 429 . 14 1 1 S 45 45 THR CA C 54 41.951 58.626 -16.675 1
1 430 . 14 1 1 S 45 45 THR CB C 54 33.933 71.710 -37.777 1
1 432 . 14 1 1 S 45 45 THR N N 54 107.079 111.189 -4.110 1
1 433 . 14 1 1 S 46 46 ARG H H 55 8.999 8.243 0.756 1
1 434 . 14 1 1 S 46 46 ARG HA H 55 3.469 3.712 -0.243 1
1 441 . 14 1 1 S 46 46 ARG CA C 55 41.154 58.460 -17.306 1
1 442 . 14 1 1 S 46 46 ARG CB C 55 29.806 30.008 -0.202 1
1 445 . 14 1 1 S 46 46 ARG N N 55 122.570 121.692 0.878 1
1 447 . 14 1 1 S 47 47 ASP H H 56 8.199 8.067 0.132 1
1 448 . 14 1 1 S 47 47 ASP HA H 56 4.334 4.387 -0.053 1
1 451 . 14 1 1 S 47 47 ASP CB C 56 40.724 40.053 0.671 1
1 452 . 14 1 1 S 47 47 ASP N N 56 116.559 116.115 0.444 1
1 453 . 14 1 1 S 48 48 GLU H H 57 7.547 7.672 -0.125 1
1 454 . 14 1 1 S 48 48 GLU HA H 57 3.920 4.127 -0.207 1
1 458 . 14 1 1 S 48 48 GLU CA C 57 40.418 58.352 -17.934 1
1 459 . 14 1 1 S 48 48 GLU CB C 57 29.932 30.224 -0.292 1
1 461 . 14 1 1 S 48 48 GLU N N 57 120.721 119.908 0.813 1
1 462 . 14 1 1 S 49 49 TYR H H 58 8.535 7.763 0.772 1
1 463 . 14 1 1 S 49 49 TYR HA H 58 4.181 4.150 0.031 1
1 468 . 14 1 1 S 49 49 TYR CA C 58 42.353 61.188 -18.835 1
1 469 . 14 1 1 S 49 49 TYR CB C 58 39.530 37.370 2.160 1
1 470 . 14 1 1 S 49 49 TYR N N 58 122.570 119.763 2.807 1
1 471 . 14 1 1 S 50 50 ASN H H 59 8.869 8.419 0.450 1
1 472 . 14 1 1 S 50 50 ASN HA H 59 4.293 4.541 -0.248 1
1 476 . 14 1 1 S 50 50 ASN CA C 59 35.728 56.004 -20.276 1
1 477 . 14 1 1 S 50 50 ASN CB C 59 38.117 38.363 -0.246 1
1 478 . 14 1 1 S 50 50 ASN N N 59 117.484 117.576 -0.092 1
1 480 . 14 1 1 S 51 51 ALA H H 60 7.146 7.605 -0.459 1
1 481 . 14 1 1 S 51 51 ALA HA H 60 4.342 4.475 -0.133 1
1 485 . 14 1 1 S 51 51 ALA CA C 60 33.070 52.480 -19.410 1
1 486 . 14 1 1 S 51 51 ALA CB C 60 38.063 20.983 17.080 1
1 487 . 14 1 1 S 51 51 ALA N N 60 120.027 119.913 0.114 1
1 488 . 14 1 1 S 52 52 LEU H H 61 7.396 7.936 -0.540 1
1 489 . 14 1 1 S 52 52 LEU HA H 61 4.338 4.410 -0.072 1
1 499 . 14 1 1 S 52 52 LEU CA C 61 33.941 53.792 -19.851 1
1 500 . 14 1 1 S 52 52 LEU CB C 61 42.540 40.880 1.660 1
1 504 . 14 1 1 S 52 52 LEU N N 61 121.183 121.992 -0.809 1
1 505 . 14 1 1 S 53 53 PRO HA H 62 4.381 4.529 -0.148 1
1 512 . 14 1 1 S 53 53 PRO CA C 62 43.181 62.907 -19.726 1
1 513 . 14 1 1 S 53 53 PRO CB C 62 32.503 32.620 -0.117 1
1 516 . 14 1 1 S 54 54 ALA H H 63 8.847 8.650 0.197 1
1 517 . 14 1 1 S 54 54 ALA HA H 63 3.953 4.024 -0.071 1
1 521 . 14 1 1 S 54 54 ALA CA C 63 36.779 53.779 -17.000 1
1 522 . 14 1 1 S 54 54 ALA CB C 63 36.769 18.789 17.980 1
1 523 . 14 1 1 S 54 54 ALA N N 63 126.270 125.256 1.014 1
1 524 . 14 1 1 S 55 55 TRP H H 64 7.875 7.878 -0.003 1
1 525 . 14 1 1 S 55 55 TRP HA H 64 4.378 4.470 -0.092 1
1 534 . 14 1 1 S 55 55 TRP CA C 64 39.808 60.010 -20.202 1
1 535 . 14 1 1 S 55 55 TRP CB C 64 45.794 29.348 16.446 1
1 536 . 14 1 1 S 55 55 TRP N N 64 113.553 119.910 -6.357 1
1 538 . 14 1 1 S 56 56 LYS H H 65 6.197 7.757 -1.560 1
1 539 . 14 1 1 S 56 56 LYS HA H 65 3.631 2.506 1.125 1
1 547 . 14 1 1 S 56 56 LYS CA C 65 39.976 58.982 -19.006 1
1 548 . 14 1 1 S 56 56 LYS CB C 65 32.615 31.778 0.837 1
1 551 . 14 1 1 S 56 56 LYS N N 65 122.802 121.784 1.018 1
1 552 . 14 1 1 S 57 57 GLN H H 66 7.521 7.542 -0.021 1
1 553 . 14 1 1 S 57 57 GLN HA H 66 3.585 3.375 0.210 1
1 560 . 14 1 1 S 57 57 GLN CA C 66 40.775 57.853 -17.078 1
1 561 . 14 1 1 S 57 57 GLN CB C 66 46.154 27.101 19.053 1
1 563 . 14 1 1 S 57 57 GLN N N 66 120.480 117.426 3.054 1
1 565 . 14 1 1 S 58 58 VAL H H 67 7.775 7.786 -0.011 1
1 566 . 14 1 1 S 58 58 VAL HA H 67 3.197 3.826 -0.629 1
1 574 . 14 1 1 S 58 58 VAL CA C 67 29.564 66.082 -36.518 1
1 575 . 14 1 1 S 58 58 VAL CB C 67 31.723 31.970 -0.247 1
1 578 . 14 1 1 S 58 58 VAL N N 67 117.021 120.319 -3.298 1
1 579 . 14 1 1 S 59 59 ASN H H 68 7.497 9.324 -1.827 1
1 580 . 14 1 1 S 59 59 ASN HA H 68 4.310 4.517 -0.207 1
1 584 . 14 1 1 S 59 59 ASN CA C 68 37.310 56.289 -18.979 1
1 585 . 14 1 1 S 59 59 ASN CB C 68 37.866 39.159 -1.293 1
1 586 . 14 1 1 S 59 59 ASN N N 68 118.177 118.682 -0.505 1
1 588 . 14 1 1 S 60 60 LEU H H 69 8.144 7.381 0.763 1
1 589 . 14 1 1 S 60 60 LEU HA H 69 4.226 4.190 0.036 1
1 599 . 14 1 1 S 60 60 LEU CA C 69 39.078 57.289 -18.211 1
1 600 . 14 1 1 S 60 60 LEU CB C 69 42.244 42.062 0.182 1
1 603 . 14 1 1 S 60 60 LEU N N 69 122.570 119.230 3.340 1
1 604 . 14 1 1 S 61 61 LYS H H 70 8.190 7.973 0.217 1
1 605 . 14 1 1 S 61 61 LYS HA H 70 3.610 3.949 -0.339 1
1 611 . 14 1 1 S 61 61 LYS CA C 70 43.383 60.352 -16.969 1
1 612 . 14 1 1 S 61 61 LYS CB C 70 32.375 32.593 -0.218 1
1 614 . 14 1 1 S 61 61 LYS N N 70 116.790 117.575 -0.785 1
1 615 . 14 1 1 S 62 62 LYS H H 71 8.863 8.265 0.598 1
1 616 . 14 1 1 S 62 62 LYS HA H 71 4.121 4.022 0.099 1
1 623 . 14 1 1 S 62 62 LYS CA C 71 41.331 59.595 -18.264 1
1 624 . 14 1 1 S 62 62 LYS CB C 71 32.973 32.223 0.750 1
1 628 . 14 1 1 S 62 62 LYS N N 71 119.102 119.784 -0.682 1
1 629 . 14 1 1 S 63 63 ALA H H 72 7.734 7.915 -0.181 1
1 630 . 14 1 1 S 63 63 ALA HA H 72 4.211 4.050 0.161 1
1 634 . 14 1 1 S 63 63 ALA CA C 72 35.710 54.740 -19.030 1
1 635 . 14 1 1 S 63 63 ALA CB C 72 37.243 18.479 18.764 1
1 636 . 14 1 1 S 63 63 ALA N N 72 121.414 122.374 -0.960 1
1 637 . 14 1 1 S 64 64 LYS H H 73 7.546 7.658 -0.112 1
1 638 . 14 1 1 S 64 64 LYS HA H 73 4.468 4.329 0.139 1
1 644 . 14 1 1 S 64 64 LYS CA C 73 34.628 56.286 -21.658 1
1 645 . 14 1 1 S 64 64 LYS CB C 73 32.588 33.403 -0.815 1
1 646 . 14 1 1 S 64 64 LYS N N 73 114.016 115.632 -1.616 1
1 647 . 14 1 1 S 65 65 GLY H H 74 7.508 8.552 -1.044 1
1 648 . 14 1 1 S 65 65 GLY HA2 H 74 4.260 4.101 0.159 1
1 649 . 14 1 1 S 65 65 GLY HA3 H 74 4.012 4.105 -0.093 1
1 650 . 14 1 1 S 65 65 GLY CA C 74 46.235 45.098 1.137 1
1 651 . 14 1 1 S 65 65 GLY N N 74 105.692 107.103 -1.411 1
1 652 . 14 1 1 S 66 66 LEU H H 75 8.400 8.424 -0.024 1
1 653 . 14 1 1 S 66 66 LEU HA H 75 4.519 4.035 0.484 1
1 663 . 14 1 1 S 66 66 LEU CA C 75 34.331 58.444 -24.113 1
1 664 . 14 1 1 S 66 66 LEU CB C 75 42.886 41.926 0.960 1
1 668 . 14 1 1 S 66 66 LEU N N 75 120.952 121.914 -0.962 1
1 1 . 15 1 1 S 6 6 CYS HA H 15 4.540 5.362 -0.822 1
1 4 . 15 1 1 S 6 6 CYS CB C 15 28.556 28.990 -0.434 1
1 5 . 15 1 1 S 7 7 LYS HA H 16 4.376 4.694 -0.318 1
1 8 . 15 1 1 S 7 7 LYS CA C 16 37.775 56.373 -18.598 1
1 9 . 15 1 1 S 7 7 LYS CB C 16 33.150 33.503 -0.353 1
1 10 . 15 1 1 S 8 8 THR H H 17 8.305 8.678 -0.373 1
1 11 . 15 1 1 S 8 8 THR HA H 17 4.320 4.945 -0.625 1
1 16 . 15 1 1 S 8 8 THR CA C 17 44.017 62.525 -18.508 1
1 17 . 15 1 1 S 8 8 THR CB C 17 31.886 69.510 -37.624 1
1 19 . 15 1 1 S 8 8 THR N N 17 115.400 118.440 -3.040 1
1 20 . 15 1 1 S 9 9 ILE H H 18 7.450 8.921 -1.471 1
1 21 . 15 1 1 S 9 9 ILE HA H 18 5.077 4.614 0.463 1
1 31 . 15 1 1 S 9 9 ILE CA C 18 38.964 59.060 -20.096 1
1 32 . 15 1 1 S 9 9 ILE CB C 18 40.553 40.568 -0.015 1
1 36 . 15 1 1 S 9 9 ILE N N 18 122.802 129.029 -6.227 1
1 37 . 15 1 1 S 10 10 TYR H H 19 9.151 8.499 0.652 1
1 38 . 15 1 1 S 10 10 TYR HA H 19 4.927 4.843 0.084 1
1 43 . 15 1 1 S 10 10 TYR CB C 19 41.335 39.488 1.847 1
1 44 . 15 1 1 S 10 10 TYR N N 19 124.420 124.339 0.081 1
1 45 . 15 1 1 S 11 11 PRO HA H 20 4.496 4.510 -0.014 1
1 52 . 15 1 1 S 11 11 PRO CA C 20 43.576 63.261 -19.685 1
1 53 . 15 1 1 S 11 11 PRO CB C 20 32.801 32.576 0.225 1
1 55 . 15 1 1 S 12 12 LEU H H 21 7.790 8.573 -0.783 1
1 56 . 15 1 1 S 12 12 LEU HA H 21 3.896 3.993 -0.097 1
1 66 . 15 1 1 S 12 12 LEU CA C 21 39.620 57.889 -18.269 1
1 67 . 15 1 1 S 12 12 LEU CB C 21 42.245 41.584 0.661 1
1 71 . 15 1 1 S 12 12 LEU N N 21 123.727 124.154 -0.427 1
1 72 . 15 1 1 S 13 13 ALA H H 22 8.995 8.174 0.821 1
1 73 . 15 1 1 S 13 13 ALA HA H 22 3.943 4.042 -0.099 1
1 77 . 15 1 1 S 13 13 ALA CA C 22 36.717 55.621 -18.904 1
1 78 . 15 1 1 S 13 13 ALA CB C 22 37.456 18.029 19.427 1
1 79 . 15 1 1 S 13 13 ALA N N 22 116.790 121.684 -4.894 1
1 80 . 15 1 1 S 14 14 ASP H H 23 7.393 8.215 -0.822 1
1 81 . 15 1 1 S 14 14 ASP HA H 23 4.387 4.364 0.023 1
1 84 . 15 1 1 S 14 14 ASP CB C 23 40.902 40.707 0.195 1
1 85 . 15 1 1 S 14 14 ASP N N 23 115.403 119.186 -3.783 1
1 86 . 15 1 1 S 15 15 LEU H H 24 7.452 7.631 -0.179 1
1 87 . 15 1 1 S 15 15 LEU HA H 24 4.281 4.518 -0.237 1
1 97 . 15 1 1 S 15 15 LEU CA C 24 35.761 55.412 -19.651 1
1 98 . 15 1 1 S 15 15 LEU CB C 24 41.179 43.318 -2.139 1
1 101 . 15 1 1 S 15 15 LEU N N 24 116.328 113.894 2.434 1
1 102 . 15 1 1 S 16 16 LEU H H 25 7.396 8.590 -1.194 1
1 103 . 15 1 1 S 16 16 LEU HA H 25 4.350 4.128 0.222 1
1 112 . 15 1 1 S 16 16 LEU CA C 25 36.365 57.421 -21.056 1
1 113 . 15 1 1 S 16 16 LEU CB C 25 42.493 42.560 -0.067 1
1 116 . 15 1 1 S 16 16 LEU N N 25 116.790 121.270 -4.480 1
1 117 . 15 1 1 S 17 17 ALA H H 26 6.894 7.477 -0.583 1
1 118 . 15 1 1 S 17 17 ALA HA H 26 4.349 4.567 -0.218 1
1 122 . 15 1 1 S 17 17 ALA CB C 26 39.296 19.317 19.979 1
1 123 . 15 1 1 S 17 17 ALA N N 26 122.802 119.545 3.257 1
1 124 . 15 1 1 S 18 18 ARG H H 27 8.019 7.819 0.200 1
1 125 . 15 1 1 S 18 18 ARG HA H 27 4.429 4.740 -0.311 1
1 132 . 15 1 1 S 18 18 ARG CA C 27 32.436 53.320 -20.884 1
1 133 . 15 1 1 S 18 18 ARG CB C 27 31.405 33.645 -2.240 1
1 136 . 15 1 1 S 18 18 ARG N N 27 116.328 118.485 -2.157 1
1 137 . 15 1 1 S 19 19 PRO HA H 28 4.483 4.394 0.089 1
1 144 . 15 1 1 S 19 19 PRO CA C 28 43.719 63.064 -19.345 1
1 145 . 15 1 1 S 19 19 PRO CB C 28 35.007 31.454 3.553 1
1 148 . 15 1 1 S 20 20 LEU H H 29 8.634 7.992 0.642 1
1 149 . 15 1 1 S 20 20 LEU HA H 29 4.286 4.813 -0.527 1
1 159 . 15 1 1 S 20 20 LEU CA C 29 34.887 53.170 -18.283 1
1 160 . 15 1 1 S 20 20 LEU CB C 29 42.067 41.809 0.258 1
1 163 . 15 1 1 S 20 20 LEU N N 29 123.033 119.811 3.222 1
1 164 . 15 1 1 S 21 21 PRO HA H 30 4.273 4.664 -0.391 1
1 171 . 15 1 1 S 21 21 PRO CA C 30 43.649 62.047 -18.398 1
1 172 . 15 1 1 S 21 21 PRO CB C 30 31.638 33.003 -1.365 1
1 175 . 15 1 1 S 22 22 GLU H H 31 8.522 8.811 -0.289 1
1 176 . 15 1 1 S 22 22 GLU HA H 31 3.988 4.214 -0.226 1
1 180 . 15 1 1 S 22 22 GLU CA C 31 39.044 58.627 -19.583 1
1 181 . 15 1 1 S 22 22 GLU CB C 31 29.490 29.644 -0.154 1
1 183 . 15 1 1 S 22 22 GLU N N 31 123.264 120.948 2.316 1
1 184 . 15 1 1 S 23 23 GLY H H 32 8.783 8.463 0.320 1
1 185 . 15 1 1 S 23 23 GLY HA2 H 32 4.177 4.018 0.159 1
1 186 . 15 1 1 S 23 23 GLY HA3 H 32 3.697 4.056 -0.359 1
1 187 . 15 1 1 S 23 23 GLY CA C 32 45.506 46.788 -1.282 1
1 188 . 15 1 1 S 23 23 GLY N N 32 111.472 108.068 3.404 1
1 189 . 15 1 1 S 24 24 VAL H H 33 6.850 7.780 -0.930 1
1 190 . 15 1 1 S 24 24 VAL HA H 33 3.805 3.326 0.479 1
1 198 . 15 1 1 S 24 24 VAL CA C 33 42.632 62.101 -19.469 1
1 199 . 15 1 1 S 24 24 VAL CB C 33 32.321 30.968 1.353 1
1 202 . 15 1 1 S 24 24 VAL N N 33 117.021 120.025 -3.004 1
1 203 . 15 1 1 S 25 25 ASP H H 34 8.276 9.238 -0.962 1
1 206 . 15 1 1 S 25 25 ASP CB C 34 41.766 41.612 0.154 1
1 207 . 15 1 1 S 25 25 ASP N N 34 126.270 128.527 -2.257 1
1 208 . 15 1 1 S 26 26 PRO HA H 35 4.082 4.438 -0.356 1
1 215 . 15 1 1 S 26 26 PRO CA C 35 44.876 64.690 -19.814 1
1 216 . 15 1 1 S 26 26 PRO CB C 35 32.282 32.030 0.252 1
1 219 . 15 1 1 S 27 27 LEU H H 36 8.583 8.381 0.202 1
1 220 . 15 1 1 S 27 27 LEU HA H 36 4.361 4.556 -0.195 1
1 230 . 15 1 1 S 27 27 LEU CA C 36 36.955 56.131 -19.176 1
1 231 . 15 1 1 S 27 27 LEU CB C 36 41.466 41.645 -0.179 1
1 235 . 15 1 1 S 27 27 LEU N N 36 118.640 115.399 3.241 1
1 236 . 15 1 1 S 28 28 LYS H H 37 7.838 7.448 0.390 1
1 237 . 15 1 1 S 28 28 LYS HA H 37 5.037 4.696 0.341 1
1 243 . 15 1 1 S 28 28 LYS CA C 37 35.415 55.484 -20.069 1
1 244 . 15 1 1 S 28 28 LYS CB C 37 33.967 35.408 -1.441 1
1 247 . 15 1 1 S 28 28 LYS N N 37 120.258 116.221 4.037 1
1 248 . 15 1 1 S 29 29 LEU H H 38 8.203 8.475 -0.272 1
1 249 . 15 1 1 S 29 29 LEU HA H 38 4.266 2.884 1.382 1
1 259 . 15 1 1 S 29 29 LEU CA C 38 39.317 56.648 -17.331 1
1 262 . 15 1 1 S 29 29 LEU N N 38 117.021 121.449 -4.428 1
1 263 . 15 1 1 S 30 30 GLU H H 39 10.041 8.133 1.908 1
1 264 . 15 1 1 S 30 30 GLU HA H 39 4.086 3.651 0.435 1
1 269 . 15 1 1 S 30 30 GLU CA C 39 39.629 58.670 -19.041 1
1 270 . 15 1 1 S 30 30 GLU CB C 39 45.835 28.770 17.065 1
1 272 . 15 1 1 S 30 30 GLU N N 39 114.478 116.816 -2.338 1
1 273 . 15 1 1 S 31 31 ILE H H 40 7.920 7.448 0.472 1
1 274 . 15 1 1 S 31 31 ILE HA H 40 4.266 3.867 0.399 1
1 284 . 15 1 1 S 31 31 ILE CA C 40 44.411 64.069 -19.658 1
1 285 . 15 1 1 S 31 31 ILE CB C 40 37.472 37.303 0.169 1
1 289 . 15 1 1 S 31 31 ILE N N 40 116.790 117.389 -0.599 1
1 290 . 15 1 1 S 32 32 TYR H H 41 7.426 7.480 -0.054 1
1 291 . 15 1 1 S 32 32 TYR HA H 41 4.928 4.712 0.216 1
1 296 . 15 1 1 S 32 32 TYR CB C 41 39.324 38.474 0.850 1
1 297 . 15 1 1 S 32 32 TYR N N 41 119.565 117.796 1.769 1
1 298 . 15 1 1 S 33 33 LEU H H 42 6.749 7.483 -0.734 1
1 299 . 15 1 1 S 33 33 LEU HA H 42 5.266 4.941 0.325 1
1 309 . 15 1 1 S 33 33 LEU CA C 42 33.953 53.362 -19.409 1
1 310 . 15 1 1 S 33 33 LEU CB C 42 45.122 44.520 0.602 1
1 314 . 15 1 1 S 33 33 LEU N N 42 114.709 117.107 -2.398 1
1 315 . 15 1 1 S 34 34 THR H H 43 9.549 8.869 0.680 1
1 316 . 15 1 1 S 34 34 THR HA H 43 4.319 4.568 -0.249 1
1 322 . 15 1 1 S 34 34 THR CA C 43 42.615 61.324 -18.709 1
1 323 . 15 1 1 S 34 34 THR CB C 43 34.267 70.959 -36.692 1
1 325 . 15 1 1 S 34 34 THR N N 43 115.172 114.153 1.019 1
1 326 . 15 1 1 S 35 35 ASP H H 44 9.173 9.133 0.040 1
1 327 . 15 1 1 S 35 35 ASP HA H 44 4.361 4.458 -0.097 1
1 330 . 15 1 1 S 35 35 ASP CA C 44 39.549 57.076 -17.527 1
1 331 . 15 1 1 S 35 35 ASP CB C 44 39.585 39.848 -0.263 1
1 332 . 15 1 1 S 35 35 ASP N N 44 122.339 121.122 1.217 1
1 333 . 15 1 1 S 36 36 GLU H H 45 8.781 8.157 0.624 1
1 334 . 15 1 1 S 36 36 GLU HA H 45 4.119 4.183 -0.064 1
1 339 . 15 1 1 S 36 36 GLU CA C 45 41.388 59.184 -17.796 1
1 340 . 15 1 1 S 36 36 GLU CB C 45 29.301 29.688 -0.387 1
1 342 . 15 1 1 S 36 36 GLU N N 45 118.640 120.538 -1.898 1
1 343 . 15 1 1 S 37 37 ASP H H 46 7.864 7.575 0.289 1
1 344 . 15 1 1 S 37 37 ASP HA H 46 4.726 4.450 0.276 1
1 347 . 15 1 1 S 37 37 ASP CA C 46 38.055 57.140 -19.085 1
1 348 . 15 1 1 S 37 37 ASP CB C 46 41.567 40.666 0.901 1
1 349 . 15 1 1 S 37 37 ASP N N 46 121.646 120.252 1.394 1
1 350 . 15 1 1 S 38 38 PHE H H 47 9.196 8.845 0.351 1
1 351 . 15 1 1 S 38 38 PHE HA H 47 3.753 4.122 -0.369 1
1 357 . 15 1 1 S 38 38 PHE CA C 47 43.221 61.297 -18.076 1
1 358 . 15 1 1 S 38 38 PHE CB C 47 40.280 38.510 1.770 1
1 359 . 15 1 1 S 38 38 PHE N N 47 122.802 119.307 3.495 1
1 360 . 15 1 1 S 39 39 GLU H H 48 8.496 9.448 -0.952 1
1 361 . 15 1 1 S 39 39 GLU HA H 48 4.413 3.971 0.442 1
1 365 . 15 1 1 S 39 39 GLU CA C 48 40.140 59.460 -19.320 1
1 366 . 15 1 1 S 39 39 GLU CB C 48 29.498 29.393 0.105 1
1 368 . 15 1 1 S 39 39 GLU N N 48 118.177 117.852 0.325 1
1 369 . 15 1 1 S 40 40 PHE H H 49 7.898 7.984 -0.086 1
1 370 . 15 1 1 S 40 40 PHE HA H 49 4.320 4.178 0.142 1
1 376 . 15 1 1 S 40 40 PHE CA C 49 41.713 60.985 -19.272 1
1 377 . 15 1 1 S 40 40 PHE CB C 49 39.847 39.408 0.439 1
1 378 . 15 1 1 S 40 40 PHE N N 49 119.565 122.098 -2.533 1
1 379 . 15 1 1 S 41 41 ALA H H 50 8.637 8.243 0.394 1
1 380 . 15 1 1 S 41 41 ALA HA H 50 3.947 4.274 -0.327 1
1 384 . 15 1 1 S 41 41 ALA CA C 50 35.451 54.831 -19.380 1
1 385 . 15 1 1 S 41 41 ALA CB C 50 39.091 19.104 19.987 1
1 386 . 15 1 1 S 41 41 ALA N N 50 119.565 121.614 -2.049 1
1 387 . 15 1 1 S 42 42 LEU H H 51 8.275 8.437 -0.162 1
1 388 . 15 1 1 S 42 42 LEU HA H 51 4.142 4.575 -0.433 1
1 397 . 15 1 1 S 42 42 LEU CA C 51 35.946 54.075 -18.129 1
1 398 . 15 1 1 S 42 42 LEU CB C 51 41.238 42.790 -1.552 1
1 402 . 15 1 1 S 42 42 LEU N N 51 113.553 115.423 -1.870 1
1 403 . 15 1 1 S 43 43 ASP H H 52 7.841 8.232 -0.391 1
1 404 . 15 1 1 S 43 43 ASP HA H 52 4.483 4.615 -0.132 1
1 407 . 15 1 1 S 43 43 ASP CA C 52 36.572 55.464 -18.892 1
1 408 . 15 1 1 S 43 43 ASP CB C 52 39.869 39.568 0.301 1
1 409 . 15 1 1 S 43 43 ASP N N 52 115.865 117.147 -1.282 1
1 410 . 15 1 1 S 44 44 MET H H 53 7.424 7.589 -0.165 1
1 411 . 15 1 1 S 44 44 MET HA H 53 4.753 4.790 -0.037 1
1 419 . 15 1 1 S 44 44 MET CA C 53 36.030 53.161 -17.131 1
1 420 . 15 1 1 S 44 44 MET CB C 53 34.947 34.620 0.327 1
1 422 . 15 1 1 S 44 44 MET N N 53 111.703 117.590 -5.887 1
1 423 . 15 1 1 S 45 45 THR H H 54 8.372 7.911 0.461 1
1 424 . 15 1 1 S 45 45 THR HA H 54 4.526 4.579 -0.053 1
1 429 . 15 1 1 S 45 45 THR CA C 54 41.951 58.993 -17.042 1
1 430 . 15 1 1 S 45 45 THR CB C 54 33.933 72.012 -38.079 1
1 432 . 15 1 1 S 45 45 THR N N 54 107.079 109.871 -2.792 1
1 433 . 15 1 1 S 46 46 ARG H H 55 8.999 8.490 0.509 1
1 434 . 15 1 1 S 46 46 ARG HA H 55 3.469 3.415 0.054 1
1 441 . 15 1 1 S 46 46 ARG CA C 55 41.154 58.768 -17.614 1
1 442 . 15 1 1 S 46 46 ARG CB C 55 29.806 29.958 -0.152 1
1 445 . 15 1 1 S 46 46 ARG N N 55 122.570 122.172 0.398 1
1 447 . 15 1 1 S 47 47 ASP H H 56 8.199 7.810 0.389 1
1 448 . 15 1 1 S 47 47 ASP HA H 56 4.334 4.434 -0.100 1
1 451 . 15 1 1 S 47 47 ASP CB C 56 40.724 40.796 -0.072 1
1 452 . 15 1 1 S 47 47 ASP N N 56 116.559 118.983 -2.424 1
1 453 . 15 1 1 S 48 48 GLU H H 57 7.547 8.113 -0.566 1
1 454 . 15 1 1 S 48 48 GLU HA H 57 3.920 4.166 -0.246 1
1 458 . 15 1 1 S 48 48 GLU CA C 57 40.418 58.395 -17.977 1
1 459 . 15 1 1 S 48 48 GLU CB C 57 29.932 30.344 -0.412 1
1 461 . 15 1 1 S 48 48 GLU N N 57 120.721 119.728 0.993 1
1 462 . 15 1 1 S 49 49 TYR H H 58 8.535 8.270 0.265 1
1 463 . 15 1 1 S 49 49 TYR HA H 58 4.181 4.151 0.030 1
1 468 . 15 1 1 S 49 49 TYR CA C 58 42.353 61.205 -18.852 1
1 469 . 15 1 1 S 49 49 TYR CB C 58 39.530 37.383 2.147 1
1 470 . 15 1 1 S 49 49 TYR N N 58 122.570 119.712 2.858 1
1 471 . 15 1 1 S 50 50 ASN H H 59 8.869 8.349 0.520 1
1 472 . 15 1 1 S 50 50 ASN HA H 59 4.293 4.502 -0.209 1
1 476 . 15 1 1 S 50 50 ASN CA C 59 35.728 55.824 -20.096 1
1 477 . 15 1 1 S 50 50 ASN CB C 59 38.117 38.304 -0.187 1
1 478 . 15 1 1 S 50 50 ASN N N 59 117.484 117.738 -0.254 1
1 480 . 15 1 1 S 51 51 ALA H H 60 7.146 7.589 -0.443 1
1 481 . 15 1 1 S 51 51 ALA HA H 60 4.342 4.429 -0.087 1
1 485 . 15 1 1 S 51 51 ALA CA C 60 33.070 52.371 -19.301 1
1 486 . 15 1 1 S 51 51 ALA CB C 60 38.063 20.615 17.448 1
1 487 . 15 1 1 S 51 51 ALA N N 60 120.027 120.218 -0.191 1
1 488 . 15 1 1 S 52 52 LEU H H 61 7.396 7.479 -0.083 1
1 489 . 15 1 1 S 52 52 LEU HA H 61 4.338 4.351 -0.013 1
1 499 . 15 1 1 S 52 52 LEU CA C 61 33.941 53.437 -19.496 1
1 500 . 15 1 1 S 52 52 LEU CB C 61 42.540 40.987 1.553 1
1 504 . 15 1 1 S 52 52 LEU N N 61 121.183 121.574 -0.391 1
1 505 . 15 1 1 S 53 53 PRO HA H 62 4.381 4.432 -0.051 1
1 512 . 15 1 1 S 53 53 PRO CA C 62 43.181 62.683 -19.502 1
1 513 . 15 1 1 S 53 53 PRO CB C 62 32.503 32.731 -0.228 1
1 516 . 15 1 1 S 54 54 ALA H H 63 8.847 8.520 0.327 1
1 517 . 15 1 1 S 54 54 ALA HA H 63 3.953 3.997 -0.044 1
1 521 . 15 1 1 S 54 54 ALA CA C 63 36.779 53.964 -17.185 1
1 522 . 15 1 1 S 54 54 ALA CB C 63 36.769 18.809 17.960 1
1 523 . 15 1 1 S 54 54 ALA N N 63 126.270 124.828 1.442 1
1 524 . 15 1 1 S 55 55 TRP H H 64 7.875 7.838 0.037 1
1 525 . 15 1 1 S 55 55 TRP HA H 64 4.378 4.418 -0.040 1
1 534 . 15 1 1 S 55 55 TRP CA C 64 39.808 59.959 -20.151 1
1 535 . 15 1 1 S 55 55 TRP CB C 64 45.794 29.320 16.474 1
1 536 . 15 1 1 S 55 55 TRP N N 64 113.553 120.127 -6.574 1
1 538 . 15 1 1 S 56 56 LYS H H 65 6.197 7.632 -1.435 1
1 539 . 15 1 1 S 56 56 LYS HA H 65 3.631 2.353 1.278 1
1 547 . 15 1 1 S 56 56 LYS CA C 65 39.976 58.898 -18.922 1
1 548 . 15 1 1 S 56 56 LYS CB C 65 32.615 31.397 1.218 1
1 551 . 15 1 1 S 56 56 LYS N N 65 122.802 121.837 0.965 1
1 552 . 15 1 1 S 57 57 GLN H H 66 7.521 7.353 0.168 1
1 553 . 15 1 1 S 57 57 GLN HA H 66 3.585 3.233 0.352 1
1 560 . 15 1 1 S 57 57 GLN CA C 66 40.775 58.003 -17.228 1
1 561 . 15 1 1 S 57 57 GLN CB C 66 46.154 27.815 18.339 1
1 563 . 15 1 1 S 57 57 GLN N N 66 120.480 117.314 3.166 1
1 565 . 15 1 1 S 58 58 VAL H H 67 7.775 7.959 -0.184 1
1 566 . 15 1 1 S 58 58 VAL HA H 67 3.197 3.569 -0.372 1
1 574 . 15 1 1 S 58 58 VAL CA C 67 29.564 66.308 -36.744 1
1 575 . 15 1 1 S 58 58 VAL CB C 67 31.723 31.685 0.038 1
1 578 . 15 1 1 S 58 58 VAL N N 67 117.021 121.105 -4.084 1
1 579 . 15 1 1 S 59 59 ASN H H 68 7.497 9.187 -1.690 1
1 580 . 15 1 1 S 59 59 ASN HA H 68 4.310 4.525 -0.215 1
1 584 . 15 1 1 S 59 59 ASN CA C 68 37.310 56.553 -19.243 1
1 585 . 15 1 1 S 59 59 ASN CB C 68 37.866 38.489 -0.623 1
1 586 . 15 1 1 S 59 59 ASN N N 68 118.177 118.694 -0.517 1
1 588 . 15 1 1 S 60 60 LEU H H 69 8.144 7.556 0.588 1
1 589 . 15 1 1 S 60 60 LEU HA H 69 4.226 4.128 0.098 1
1 599 . 15 1 1 S 60 60 LEU CA C 69 39.078 56.847 -17.769 1
1 600 . 15 1 1 S 60 60 LEU CB C 69 42.244 41.499 0.745 1
1 603 . 15 1 1 S 60 60 LEU N N 69 122.570 120.286 2.284 1
1 604 . 15 1 1 S 61 61 LYS H H 70 8.190 8.059 0.131 1
1 605 . 15 1 1 S 61 61 LYS HA H 70 3.610 4.087 -0.477 1
1 611 . 15 1 1 S 61 61 LYS CA C 70 43.383 59.818 -16.435 1
1 612 . 15 1 1 S 61 61 LYS CB C 70 32.375 32.286 0.089 1
1 614 . 15 1 1 S 61 61 LYS N N 70 116.790 120.047 -3.257 1
1 615 . 15 1 1 S 62 62 LYS H H 71 8.863 8.032 0.831 1
1 616 . 15 1 1 S 62 62 LYS HA H 71 4.121 4.181 -0.060 1
1 623 . 15 1 1 S 62 62 LYS CA C 71 41.331 59.313 -17.982 1
1 624 . 15 1 1 S 62 62 LYS CB C 71 32.973 32.222 0.751 1
1 628 . 15 1 1 S 62 62 LYS N N 71 119.102 119.161 -0.059 1
1 629 . 15 1 1 S 63 63 ALA H H 72 7.734 7.592 0.142 1
1 630 . 15 1 1 S 63 63 ALA HA H 72 4.211 4.140 0.071 1
1 634 . 15 1 1 S 63 63 ALA CA C 72 35.710 54.767 -19.057 1
1 635 . 15 1 1 S 63 63 ALA CB C 72 37.243 18.319 18.924 1
1 636 . 15 1 1 S 63 63 ALA N N 72 121.414 121.440 -0.026 1
1 637 . 15 1 1 S 64 64 LYS H H 73 7.546 7.593 -0.047 1
1 638 . 15 1 1 S 64 64 LYS HA H 73 4.468 4.387 0.081 1
1 644 . 15 1 1 S 64 64 LYS CA C 73 34.628 56.494 -21.866 1
1 645 . 15 1 1 S 64 64 LYS CB C 73 32.588 33.169 -0.581 1
1 646 . 15 1 1 S 64 64 LYS N N 73 114.016 116.169 -2.153 1
1 647 . 15 1 1 S 65 65 GLY H H 74 7.508 7.923 -0.415 1
1 648 . 15 1 1 S 65 65 GLY HA2 H 74 4.260 4.078 0.182 1
1 649 . 15 1 1 S 65 65 GLY HA3 H 74 4.012 4.082 -0.070 1
1 650 . 15 1 1 S 65 65 GLY CA C 74 46.235 45.233 1.002 1
1 651 . 15 1 1 S 65 65 GLY N N 74 105.692 106.901 -1.209 1
1 652 . 15 1 1 S 66 66 LEU H H 75 8.400 7.922 0.478 1
1 653 . 15 1 1 S 66 66 LEU HA H 75 4.519 4.183 0.336 1
1 663 . 15 1 1 S 66 66 LEU CA C 75 34.331 57.415 -23.084 1
1 664 . 15 1 1 S 66 66 LEU CB C 75 42.886 42.440 0.446 1
1 668 . 15 1 1 S 66 66 LEU N N 75 120.952 120.993 -0.041 1
1 1 . 16 1 1 S 6 6 CYS HA H 15 4.540 5.098 -0.558 1
1 4 . 16 1 1 S 6 6 CYS CB C 15 28.556 30.417 -1.861 1
1 5 . 16 1 1 S 7 7 LYS HA H 16 4.376 5.067 -0.691 1
1 8 . 16 1 1 S 7 7 LYS CA C 16 37.775 54.834 -17.059 1
1 9 . 16 1 1 S 7 7 LYS CB C 16 33.150 34.820 -1.670 1
1 10 . 16 1 1 S 8 8 THR H H 17 8.305 8.763 -0.458 1
1 11 . 16 1 1 S 8 8 THR HA H 17 4.320 5.111 -0.791 1
1 16 . 16 1 1 S 8 8 THR CA C 17 44.017 59.639 -15.622 1
1 17 . 16 1 1 S 8 8 THR CB C 17 31.886 72.159 -40.273 1
1 19 . 16 1 1 S 8 8 THR N N 17 115.400 117.797 -2.397 1
1 20 . 16 1 1 S 9 9 ILE H H 18 7.450 8.688 -1.238 1
1 21 . 16 1 1 S 9 9 ILE HA H 18 5.077 4.834 0.243 1
1 31 . 16 1 1 S 9 9 ILE CA C 18 38.964 60.422 -21.458 1
1 32 . 16 1 1 S 9 9 ILE CB C 18 40.553 38.375 2.178 1
1 36 . 16 1 1 S 9 9 ILE N N 18 122.802 125.030 -2.228 1
1 37 . 16 1 1 S 10 10 TYR H H 19 9.151 8.194 0.957 1
1 38 . 16 1 1 S 10 10 TYR HA H 19 4.927 4.926 0.001 1
1 43 . 16 1 1 S 10 10 TYR CB C 19 41.335 39.296 2.039 1
1 44 . 16 1 1 S 10 10 TYR N N 19 124.420 126.514 -2.094 1
1 45 . 16 1 1 S 11 11 PRO HA H 20 4.496 4.501 -0.005 1
1 52 . 16 1 1 S 11 11 PRO CA C 20 43.576 63.228 -19.652 1
1 53 . 16 1 1 S 11 11 PRO CB C 20 32.801 32.069 0.732 1
1 55 . 16 1 1 S 12 12 LEU H H 21 7.790 8.242 -0.452 1
1 56 . 16 1 1 S 12 12 LEU HA H 21 3.896 3.995 -0.099 1
1 66 . 16 1 1 S 12 12 LEU CA C 21 39.620 57.870 -18.250 1
1 67 . 16 1 1 S 12 12 LEU CB C 21 42.245 41.815 0.430 1
1 71 . 16 1 1 S 12 12 LEU N N 21 123.727 125.033 -1.306 1
1 72 . 16 1 1 S 13 13 ALA H H 22 8.995 8.306 0.689 1
1 73 . 16 1 1 S 13 13 ALA HA H 22 3.943 4.108 -0.165 1
1 77 . 16 1 1 S 13 13 ALA CA C 22 36.717 55.705 -18.988 1
1 78 . 16 1 1 S 13 13 ALA CB C 22 37.456 18.430 19.026 1
1 79 . 16 1 1 S 13 13 ALA N N 22 116.790 121.611 -4.821 1
1 80 . 16 1 1 S 14 14 ASP H H 23 7.393 8.293 -0.900 1
1 81 . 16 1 1 S 14 14 ASP HA H 23 4.387 4.333 0.054 1
1 84 . 16 1 1 S 14 14 ASP CB C 23 40.902 40.372 0.530 1
1 85 . 16 1 1 S 14 14 ASP N N 23 115.403 118.477 -3.074 1
1 86 . 16 1 1 S 15 15 LEU H H 24 7.452 7.327 0.125 1
1 87 . 16 1 1 S 15 15 LEU HA H 24 4.281 4.465 -0.184 1
1 97 . 16 1 1 S 15 15 LEU CA C 24 35.761 54.979 -19.218 1
1 98 . 16 1 1 S 15 15 LEU CB C 24 41.179 43.117 -1.938 1
1 101 . 16 1 1 S 15 15 LEU N N 24 116.328 112.989 3.339 1
1 102 . 16 1 1 S 16 16 LEU H H 25 7.396 8.345 -0.949 1
1 103 . 16 1 1 S 16 16 LEU HA H 25 4.350 4.184 0.166 1
1 112 . 16 1 1 S 16 16 LEU CA C 25 36.365 56.986 -20.621 1
1 113 . 16 1 1 S 16 16 LEU CB C 25 42.493 42.200 0.293 1
1 116 . 16 1 1 S 16 16 LEU N N 25 116.790 121.331 -4.541 1
1 117 . 16 1 1 S 17 17 ALA H H 26 6.894 6.971 -0.077 1
1 118 . 16 1 1 S 17 17 ALA HA H 26 4.349 4.555 -0.206 1
1 122 . 16 1 1 S 17 17 ALA CB C 26 39.296 19.443 19.853 1
1 123 . 16 1 1 S 17 17 ALA N N 26 122.802 120.545 2.257 1
1 124 . 16 1 1 S 18 18 ARG H H 27 8.019 7.650 0.369 1
1 125 . 16 1 1 S 18 18 ARG HA H 27 4.429 4.861 -0.432 1
1 132 . 16 1 1 S 18 18 ARG CA C 27 32.436 53.470 -21.034 1
1 133 . 16 1 1 S 18 18 ARG CB C 27 31.405 34.063 -2.658 1
1 136 . 16 1 1 S 18 18 ARG N N 27 116.328 118.162 -1.834 1
1 137 . 16 1 1 S 19 19 PRO HA H 28 4.483 4.340 0.143 1
1 144 . 16 1 1 S 19 19 PRO CA C 28 43.719 63.228 -19.509 1
1 145 . 16 1 1 S 19 19 PRO CB C 28 35.007 31.597 3.410 1
1 148 . 16 1 1 S 20 20 LEU H H 29 8.634 7.977 0.657 1
1 149 . 16 1 1 S 20 20 LEU HA H 29 4.286 4.658 -0.372 1
1 159 . 16 1 1 S 20 20 LEU CA C 29 34.887 52.822 -17.935 1
1 160 . 16 1 1 S 20 20 LEU CB C 29 42.067 41.752 0.315 1
1 163 . 16 1 1 S 20 20 LEU N N 29 123.033 120.394 2.639 1
1 164 . 16 1 1 S 21 21 PRO HA H 30 4.273 4.515 -0.242 1
1 171 . 16 1 1 S 21 21 PRO CA C 30 43.649 62.070 -18.421 1
1 172 . 16 1 1 S 21 21 PRO CB C 30 31.638 32.698 -1.060 1
1 175 . 16 1 1 S 22 22 GLU H H 31 8.522 8.808 -0.286 1
1 176 . 16 1 1 S 22 22 GLU HA H 31 3.988 4.215 -0.227 1
1 180 . 16 1 1 S 22 22 GLU CA C 31 39.044 58.817 -19.773 1
1 181 . 16 1 1 S 22 22 GLU CB C 31 29.490 29.637 -0.147 1
1 183 . 16 1 1 S 22 22 GLU N N 31 123.264 121.415 1.849 1
1 184 . 16 1 1 S 23 23 GLY H H 32 8.783 8.517 0.266 1
1 185 . 16 1 1 S 23 23 GLY HA2 H 32 4.177 4.069 0.108 1
1 186 . 16 1 1 S 23 23 GLY HA3 H 32 3.697 4.173 -0.476 1
1 187 . 16 1 1 S 23 23 GLY CA C 32 45.506 47.212 -1.706 1
1 188 . 16 1 1 S 23 23 GLY N N 32 111.472 108.098 3.374 1
1 189 . 16 1 1 S 24 24 VAL H H 33 6.850 7.930 -1.080 1
1 190 . 16 1 1 S 24 24 VAL HA H 33 3.805 4.307 -0.502 1
1 198 . 16 1 1 S 24 24 VAL CA C 33 42.632 62.922 -20.290 1
1 199 . 16 1 1 S 24 24 VAL CB C 33 32.321 31.342 0.979 1
1 202 . 16 1 1 S 24 24 VAL N N 33 117.021 120.829 -3.808 1
1 203 . 16 1 1 S 25 25 ASP H H 34 8.276 9.236 -0.960 1
1 206 . 16 1 1 S 25 25 ASP CB C 34 41.766 40.269 1.497 1
1 207 . 16 1 1 S 25 25 ASP N N 34 126.270 128.625 -2.355 1
1 208 . 16 1 1 S 26 26 PRO HA H 35 4.082 4.520 -0.438 1
1 215 . 16 1 1 S 26 26 PRO CA C 35 44.876 64.741 -19.865 1
1 216 . 16 1 1 S 26 26 PRO CB C 35 32.282 31.973 0.309 1
1 219 . 16 1 1 S 27 27 LEU H H 36 8.583 8.305 0.278 1
1 220 . 16 1 1 S 27 27 LEU HA H 36 4.361 4.621 -0.260 1
1 230 . 16 1 1 S 27 27 LEU CA C 36 36.955 55.806 -18.851 1
1 231 . 16 1 1 S 27 27 LEU CB C 36 41.466 41.633 -0.167 1
1 235 . 16 1 1 S 27 27 LEU N N 36 118.640 117.079 1.561 1
1 236 . 16 1 1 S 28 28 LYS H H 37 7.838 7.709 0.129 1
1 237 . 16 1 1 S 28 28 LYS HA H 37 5.037 4.628 0.409 1
1 243 . 16 1 1 S 28 28 LYS CA C 37 35.415 55.188 -19.773 1
1 244 . 16 1 1 S 28 28 LYS CB C 37 33.967 32.636 1.331 1
1 247 . 16 1 1 S 28 28 LYS N N 37 120.258 116.973 3.285 1
1 248 . 16 1 1 S 29 29 LEU H H 38 8.203 8.594 -0.391 1
1 249 . 16 1 1 S 29 29 LEU HA H 38 4.266 3.324 0.942 1
1 259 . 16 1 1 S 29 29 LEU CA C 38 39.317 56.902 -17.585 1
1 262 . 16 1 1 S 29 29 LEU N N 38 117.021 124.584 -7.563 1
1 263 . 16 1 1 S 30 30 GLU H H 39 10.041 8.024 2.017 1
1 264 . 16 1 1 S 30 30 GLU HA H 39 4.086 3.587 0.499 1
1 269 . 16 1 1 S 30 30 GLU CA C 39 39.629 58.454 -18.825 1
1 270 . 16 1 1 S 30 30 GLU CB C 39 45.835 28.787 17.048 1
1 272 . 16 1 1 S 30 30 GLU N N 39 114.478 116.765 -2.287 1
1 273 . 16 1 1 S 31 31 ILE H H 40 7.920 7.780 0.140 1
1 274 . 16 1 1 S 31 31 ILE HA H 40 4.266 3.898 0.368 1
1 284 . 16 1 1 S 31 31 ILE CA C 40 44.411 63.202 -18.791 1
1 285 . 16 1 1 S 31 31 ILE CB C 40 37.472 37.732 -0.260 1
1 289 . 16 1 1 S 31 31 ILE N N 40 116.790 121.891 -5.101 1
1 290 . 16 1 1 S 32 32 TYR H H 41 7.426 8.030 -0.604 1
1 291 . 16 1 1 S 32 32 TYR HA H 41 4.928 4.487 0.441 1
1 296 . 16 1 1 S 32 32 TYR CB C 41 39.324 38.906 0.418 1
1 297 . 16 1 1 S 32 32 TYR N N 41 119.565 119.716 -0.151 1
1 298 . 16 1 1 S 33 33 LEU H H 42 6.749 6.888 -0.139 1
1 299 . 16 1 1 S 33 33 LEU HA H 42 5.266 4.991 0.275 1
1 309 . 16 1 1 S 33 33 LEU CA C 42 33.953 53.099 -19.146 1
1 310 . 16 1 1 S 33 33 LEU CB C 42 45.122 44.903 0.219 1
1 314 . 16 1 1 S 33 33 LEU N N 42 114.709 116.943 -2.234 1
1 315 . 16 1 1 S 34 34 THR H H 43 9.549 8.832 0.717 1
1 316 . 16 1 1 S 34 34 THR HA H 43 4.319 4.622 -0.303 1
1 322 . 16 1 1 S 34 34 THR CA C 43 42.615 61.303 -18.688 1
1 323 . 16 1 1 S 34 34 THR CB C 43 34.267 70.976 -36.709 1
1 325 . 16 1 1 S 34 34 THR N N 43 115.172 113.221 1.951 1
1 326 . 16 1 1 S 35 35 ASP H H 44 9.173 9.109 0.064 1
1 327 . 16 1 1 S 35 35 ASP HA H 44 4.361 4.460 -0.099 1
1 330 . 16 1 1 S 35 35 ASP CA C 44 39.549 57.092 -17.543 1
1 331 . 16 1 1 S 35 35 ASP CB C 44 39.585 39.716 -0.131 1
1 332 . 16 1 1 S 35 35 ASP N N 44 122.339 120.968 1.371 1
1 333 . 16 1 1 S 36 36 GLU H H 45 8.781 8.304 0.477 1
1 334 . 16 1 1 S 36 36 GLU HA H 45 4.119 4.143 -0.024 1
1 339 . 16 1 1 S 36 36 GLU CA C 45 41.388 59.191 -17.803 1
1 340 . 16 1 1 S 36 36 GLU CB C 45 29.301 29.346 -0.045 1
1 342 . 16 1 1 S 36 36 GLU N N 45 118.640 120.462 -1.822 1
1 343 . 16 1 1 S 37 37 ASP H H 46 7.864 8.115 -0.251 1
1 344 . 16 1 1 S 37 37 ASP HA H 46 4.726 4.494 0.232 1
1 347 . 16 1 1 S 37 37 ASP CA C 46 38.055 57.264 -19.209 1
1 348 . 16 1 1 S 37 37 ASP CB C 46 41.567 40.895 0.672 1
1 349 . 16 1 1 S 37 37 ASP N N 46 121.646 120.654 0.992 1
1 350 . 16 1 1 S 38 38 PHE H H 47 9.196 9.133 0.063 1
1 351 . 16 1 1 S 38 38 PHE HA H 47 3.753 4.077 -0.324 1
1 357 . 16 1 1 S 38 38 PHE CA C 47 43.221 61.231 -18.010 1
1 358 . 16 1 1 S 38 38 PHE CB C 47 40.280 39.055 1.225 1
1 359 . 16 1 1 S 38 38 PHE N N 47 122.802 119.604 3.198 1
1 360 . 16 1 1 S 39 39 GLU H H 48 8.496 9.437 -0.941 1
1 361 . 16 1 1 S 39 39 GLU HA H 48 4.413 3.948 0.465 1
1 365 . 16 1 1 S 39 39 GLU CA C 48 40.140 59.717 -19.577 1
1 366 . 16 1 1 S 39 39 GLU CB C 48 29.498 29.397 0.101 1
1 368 . 16 1 1 S 39 39 GLU N N 48 118.177 117.321 0.856 1
1 369 . 16 1 1 S 40 40 PHE H H 49 7.898 7.949 -0.051 1
1 370 . 16 1 1 S 40 40 PHE HA H 49 4.320 4.179 0.141 1
1 376 . 16 1 1 S 40 40 PHE CA C 49 41.713 60.306 -18.593 1
1 377 . 16 1 1 S 40 40 PHE CB C 49 39.847 39.809 0.038 1
1 378 . 16 1 1 S 40 40 PHE N N 49 119.565 121.491 -1.926 1
1 379 . 16 1 1 S 41 41 ALA H H 50 8.637 7.647 0.990 1
1 380 . 16 1 1 S 41 41 ALA HA H 50 3.947 4.327 -0.380 1
1 384 . 16 1 1 S 41 41 ALA CA C 50 35.451 53.813 -18.362 1
1 385 . 16 1 1 S 41 41 ALA CB C 50 39.091 20.063 19.028 1
1 386 . 16 1 1 S 41 41 ALA N N 50 119.565 121.225 -1.660 1
1 387 . 16 1 1 S 42 42 LEU H H 51 8.275 8.261 0.014 1
1 388 . 16 1 1 S 42 42 LEU HA H 51 4.142 4.395 -0.253 1
1 397 . 16 1 1 S 42 42 LEU CA C 51 35.946 54.264 -18.318 1
1 398 . 16 1 1 S 42 42 LEU CB C 51 41.238 42.552 -1.314 1
1 402 . 16 1 1 S 42 42 LEU N N 51 113.553 115.008 -1.455 1
1 403 . 16 1 1 S 43 43 ASP H H 52 7.841 8.392 -0.551 1
1 404 . 16 1 1 S 43 43 ASP HA H 52 4.483 4.650 -0.167 1
1 407 . 16 1 1 S 43 43 ASP CA C 52 36.572 55.496 -18.924 1
1 408 . 16 1 1 S 43 43 ASP CB C 52 39.869 39.608 0.261 1
1 409 . 16 1 1 S 43 43 ASP N N 52 115.865 117.082 -1.217 1
1 410 . 16 1 1 S 44 44 MET H H 53 7.424 7.513 -0.089 1
1 411 . 16 1 1 S 44 44 MET HA H 53 4.753 4.788 -0.035 1
1 419 . 16 1 1 S 44 44 MET CA C 53 36.030 53.203 -17.173 1
1 420 . 16 1 1 S 44 44 MET CB C 53 34.947 34.936 0.011 1
1 422 . 16 1 1 S 44 44 MET N N 53 111.703 117.405 -5.702 1
1 423 . 16 1 1 S 45 45 THR H H 54 8.372 7.910 0.462 1
1 424 . 16 1 1 S 45 45 THR HA H 54 4.526 4.436 0.090 1
1 429 . 16 1 1 S 45 45 THR CA C 54 41.951 58.840 -16.889 1
1 430 . 16 1 1 S 45 45 THR CB C 54 33.933 71.648 -37.715 1
1 432 . 16 1 1 S 45 45 THR N N 54 107.079 110.303 -3.224 1
1 433 . 16 1 1 S 46 46 ARG H H 55 8.999 8.396 0.603 1
1 434 . 16 1 1 S 46 46 ARG HA H 55 3.469 3.607 -0.138 1
1 441 . 16 1 1 S 46 46 ARG CA C 55 41.154 58.907 -17.753 1
1 442 . 16 1 1 S 46 46 ARG CB C 55 29.806 29.946 -0.140 1
1 445 . 16 1 1 S 46 46 ARG N N 55 122.570 122.125 0.445 1
1 447 . 16 1 1 S 47 47 ASP H H 56 8.199 7.631 0.568 1
1 448 . 16 1 1 S 47 47 ASP HA H 56 4.334 4.448 -0.114 1
1 451 . 16 1 1 S 47 47 ASP CB C 56 40.724 41.102 -0.378 1
1 452 . 16 1 1 S 47 47 ASP N N 56 116.559 117.144 -0.585 1
1 453 . 16 1 1 S 48 48 GLU H H 57 7.547 8.054 -0.507 1
1 454 . 16 1 1 S 48 48 GLU HA H 57 3.920 4.169 -0.249 1
1 458 . 16 1 1 S 48 48 GLU CA C 57 40.418 58.493 -18.075 1
1 459 . 16 1 1 S 48 48 GLU CB C 57 29.932 30.325 -0.393 1
1 461 . 16 1 1 S 48 48 GLU N N 57 120.721 119.419 1.302 1
1 462 . 16 1 1 S 49 49 TYR H H 58 8.535 8.284 0.251 1
1 463 . 16 1 1 S 49 49 TYR HA H 58 4.181 4.191 -0.010 1
1 468 . 16 1 1 S 49 49 TYR CA C 58 42.353 61.317 -18.964 1
1 469 . 16 1 1 S 49 49 TYR CB C 58 39.530 37.387 2.143 1
1 470 . 16 1 1 S 49 49 TYR N N 58 122.570 119.481 3.089 1
1 471 . 16 1 1 S 50 50 ASN H H 59 8.869 8.389 0.480 1
1 472 . 16 1 1 S 50 50 ASN HA H 59 4.293 4.482 -0.189 1
1 476 . 16 1 1 S 50 50 ASN CA C 59 35.728 56.193 -20.465 1
1 477 . 16 1 1 S 50 50 ASN CB C 59 38.117 38.447 -0.330 1
1 478 . 16 1 1 S 50 50 ASN N N 59 117.484 117.083 0.401 1
1 480 . 16 1 1 S 51 51 ALA H H 60 7.146 7.143 0.003 1
1 481 . 16 1 1 S 51 51 ALA HA H 60 4.342 4.400 -0.058 1
1 485 . 16 1 1 S 51 51 ALA CA C 60 33.070 52.206 -19.136 1
1 486 . 16 1 1 S 51 51 ALA CB C 60 38.063 20.295 17.768 1
1 487 . 16 1 1 S 51 51 ALA N N 60 120.027 119.767 0.260 1
1 488 . 16 1 1 S 52 52 LEU H H 61 7.396 7.459 -0.063 1
1 489 . 16 1 1 S 52 52 LEU HA H 61 4.338 4.342 -0.004 1
1 499 . 16 1 1 S 52 52 LEU CA C 61 33.941 53.703 -19.762 1
1 500 . 16 1 1 S 52 52 LEU CB C 61 42.540 40.758 1.782 1
1 504 . 16 1 1 S 52 52 LEU N N 61 121.183 121.959 -0.776 1
1 505 . 16 1 1 S 53 53 PRO HA H 62 4.381 4.473 -0.092 1
1 512 . 16 1 1 S 53 53 PRO CA C 62 43.181 62.599 -19.418 1
1 513 . 16 1 1 S 53 53 PRO CB C 62 32.503 32.423 0.080 1
1 516 . 16 1 1 S 54 54 ALA H H 63 8.847 8.491 0.356 1
1 517 . 16 1 1 S 54 54 ALA HA H 63 3.953 3.964 -0.011 1
1 521 . 16 1 1 S 54 54 ALA CA C 63 36.779 53.880 -17.101 1
1 522 . 16 1 1 S 54 54 ALA CB C 63 36.769 18.782 17.987 1
1 523 . 16 1 1 S 54 54 ALA N N 63 126.270 124.963 1.307 1
1 524 . 16 1 1 S 55 55 TRP H H 64 7.875 7.878 -0.003 1
1 525 . 16 1 1 S 55 55 TRP HA H 64 4.378 4.339 0.039 1
1 534 . 16 1 1 S 55 55 TRP CA C 64 39.808 60.084 -20.276 1
1 535 . 16 1 1 S 55 55 TRP CB C 64 45.794 29.087 16.707 1
1 536 . 16 1 1 S 55 55 TRP N N 64 113.553 120.087 -6.534 1
1 538 . 16 1 1 S 56 56 LYS H H 65 6.197 7.595 -1.398 1
1 539 . 16 1 1 S 56 56 LYS HA H 65 3.631 2.369 1.262 1
1 547 . 16 1 1 S 56 56 LYS CA C 65 39.976 58.841 -18.865 1
1 548 . 16 1 1 S 56 56 LYS CB C 65 32.615 31.373 1.242 1
1 551 . 16 1 1 S 56 56 LYS N N 65 122.802 121.384 1.418 1
1 552 . 16 1 1 S 57 57 GLN H H 66 7.521 7.396 0.125 1
1 553 . 16 1 1 S 57 57 GLN HA H 66 3.585 3.074 0.511 1
1 560 . 16 1 1 S 57 57 GLN CA C 66 40.775 57.695 -16.920 1
1 561 . 16 1 1 S 57 57 GLN CB C 66 46.154 27.406 18.748 1
1 563 . 16 1 1 S 57 57 GLN N N 66 120.480 117.201 3.279 1
1 565 . 16 1 1 S 58 58 VAL H H 67 7.775 7.556 0.219 1
1 566 . 16 1 1 S 58 58 VAL HA H 67 3.197 3.414 -0.217 1
1 574 . 16 1 1 S 58 58 VAL CA C 67 29.564 66.162 -36.598 1
1 575 . 16 1 1 S 58 58 VAL CB C 67 31.723 31.509 0.214 1
1 578 . 16 1 1 S 58 58 VAL N N 67 117.021 120.665 -3.644 1
1 579 . 16 1 1 S 59 59 ASN H H 68 7.497 9.242 -1.745 1
1 580 . 16 1 1 S 59 59 ASN HA H 68 4.310 4.486 -0.176 1
1 584 . 16 1 1 S 59 59 ASN CA C 68 37.310 56.543 -19.233 1
1 585 . 16 1 1 S 59 59 ASN CB C 68 37.866 38.483 -0.617 1
1 586 . 16 1 1 S 59 59 ASN N N 68 118.177 118.595 -0.418 1
1 588 . 16 1 1 S 60 60 LEU H H 69 8.144 7.460 0.684 1
1 589 . 16 1 1 S 60 60 LEU HA H 69 4.226 4.146 0.080 1
1 599 . 16 1 1 S 60 60 LEU CA C 69 39.078 56.642 -17.564 1
1 600 . 16 1 1 S 60 60 LEU CB C 69 42.244 41.539 0.705 1
1 603 . 16 1 1 S 60 60 LEU N N 69 122.570 120.429 2.141 1
1 604 . 16 1 1 S 61 61 LYS H H 70 8.190 8.055 0.135 1
1 605 . 16 1 1 S 61 61 LYS HA H 70 3.610 4.075 -0.465 1
1 611 . 16 1 1 S 61 61 LYS CA C 70 43.383 59.877 -16.494 1
1 612 . 16 1 1 S 61 61 LYS CB C 70 32.375 32.211 0.164 1
1 614 . 16 1 1 S 61 61 LYS N N 70 116.790 120.867 -4.077 1
1 615 . 16 1 1 S 62 62 LYS H H 71 8.863 8.313 0.550 1
1 616 . 16 1 1 S 62 62 LYS HA H 71 4.121 4.093 0.028 1
1 623 . 16 1 1 S 62 62 LYS CA C 71 41.331 59.880 -18.549 1
1 624 . 16 1 1 S 62 62 LYS CB C 71 32.973 32.466 0.507 1
1 628 . 16 1 1 S 62 62 LYS N N 71 119.102 118.791 0.311 1
1 629 . 16 1 1 S 63 63 ALA H H 72 7.734 7.867 -0.133 1
1 630 . 16 1 1 S 63 63 ALA HA H 72 4.211 4.045 0.166 1
1 634 . 16 1 1 S 63 63 ALA CA C 72 35.710 54.700 -18.990 1
1 635 . 16 1 1 S 63 63 ALA CB C 72 37.243 18.700 18.543 1
1 636 . 16 1 1 S 63 63 ALA N N 72 121.414 121.786 -0.372 1
1 637 . 16 1 1 S 64 64 LYS H H 73 7.546 7.889 -0.343 1
1 638 . 16 1 1 S 64 64 LYS HA H 73 4.468 4.386 0.082 1
1 644 . 16 1 1 S 64 64 LYS CA C 73 34.628 56.745 -22.117 1
1 645 . 16 1 1 S 64 64 LYS CB C 73 32.588 33.353 -0.765 1
1 646 . 16 1 1 S 64 64 LYS N N 73 114.016 116.910 -2.894 1
1 647 . 16 1 1 S 65 65 GLY H H 74 7.508 8.396 -0.888 1
1 648 . 16 1 1 S 65 65 GLY HA2 H 74 4.260 4.070 0.190 1
1 649 . 16 1 1 S 65 65 GLY HA3 H 74 4.012 4.076 -0.064 1
1 650 . 16 1 1 S 65 65 GLY CA C 74 46.235 45.205 1.030 1
1 651 . 16 1 1 S 65 65 GLY N N 74 105.692 107.478 -1.786 1
1 652 . 16 1 1 S 66 66 LEU H H 75 8.400 7.832 0.568 1
1 653 . 16 1 1 S 66 66 LEU HA H 75 4.519 4.360 0.159 1
1 663 . 16 1 1 S 66 66 LEU CA C 75 34.331 56.921 -22.590 1
1 664 . 16 1 1 S 66 66 LEU CB C 75 42.886 42.366 0.520 1
1 668 . 16 1 1 S 66 66 LEU N N 75 120.952 120.644 0.308 1
1 1 . 17 1 1 S 6 6 CYS HA H 15 4.540 5.376 -0.836 1
1 4 . 17 1 1 S 6 6 CYS CB C 15 28.556 30.715 -2.159 1
1 5 . 17 1 1 S 7 7 LYS HA H 16 4.376 4.565 -0.189 1
1 8 . 17 1 1 S 7 7 LYS CA C 16 37.775 56.716 -18.941 1
1 9 . 17 1 1 S 7 7 LYS CB C 16 33.150 33.681 -0.531 1
1 10 . 17 1 1 S 8 8 THR H H 17 8.305 8.685 -0.380 1
1 11 . 17 1 1 S 8 8 THR HA H 17 4.320 5.088 -0.768 1
1 16 . 17 1 1 S 8 8 THR CA C 17 44.017 60.599 -16.582 1
1 17 . 17 1 1 S 8 8 THR CB C 17 31.886 71.431 -39.545 1
1 19 . 17 1 1 S 8 8 THR N N 17 115.400 115.946 -0.546 1
1 20 . 17 1 1 S 9 9 ILE H H 18 7.450 8.929 -1.479 1
1 21 . 17 1 1 S 9 9 ILE HA H 18 5.077 4.705 0.372 1
1 31 . 17 1 1 S 9 9 ILE CA C 18 38.964 60.528 -21.564 1
1 32 . 17 1 1 S 9 9 ILE CB C 18 40.553 38.691 1.862 1
1 36 . 17 1 1 S 9 9 ILE N N 18 122.802 128.382 -5.580 1
1 37 . 17 1 1 S 10 10 TYR H H 19 9.151 8.443 0.708 1
1 38 . 17 1 1 S 10 10 TYR HA H 19 4.927 4.817 0.110 1
1 43 . 17 1 1 S 10 10 TYR CB C 19 41.335 38.972 2.363 1
1 44 . 17 1 1 S 10 10 TYR N N 19 124.420 126.943 -2.523 1
1 45 . 17 1 1 S 11 11 PRO HA H 20 4.496 4.474 0.022 1
1 52 . 17 1 1 S 11 11 PRO CA C 20 43.576 63.156 -19.580 1
1 53 . 17 1 1 S 11 11 PRO CB C 20 32.801 31.944 0.857 1
1 55 . 17 1 1 S 12 12 LEU H H 21 7.790 8.559 -0.769 1
1 56 . 17 1 1 S 12 12 LEU HA H 21 3.896 3.993 -0.097 1
1 66 . 17 1 1 S 12 12 LEU CA C 21 39.620 57.809 -18.189 1
1 67 . 17 1 1 S 12 12 LEU CB C 21 42.245 41.654 0.591 1
1 71 . 17 1 1 S 12 12 LEU N N 21 123.727 124.912 -1.185 1
1 72 . 17 1 1 S 13 13 ALA H H 22 8.995 8.218 0.777 1
1 73 . 17 1 1 S 13 13 ALA HA H 22 3.943 4.058 -0.115 1
1 77 . 17 1 1 S 13 13 ALA CA C 22 36.717 55.505 -18.788 1
1 78 . 17 1 1 S 13 13 ALA CB C 22 37.456 18.041 19.415 1
1 79 . 17 1 1 S 13 13 ALA N N 22 116.790 121.441 -4.651 1
1 80 . 17 1 1 S 14 14 ASP H H 23 7.393 8.443 -1.050 1
1 81 . 17 1 1 S 14 14 ASP HA H 23 4.387 4.794 -0.407 1
1 84 . 17 1 1 S 14 14 ASP CB C 23 40.902 40.558 0.344 1
1 85 . 17 1 1 S 14 14 ASP N N 23 115.403 120.242 -4.839 1
1 86 . 17 1 1 S 15 15 LEU H H 24 7.452 7.414 0.038 1
1 87 . 17 1 1 S 15 15 LEU HA H 24 4.281 4.304 -0.023 1
1 97 . 17 1 1 S 15 15 LEU CA C 24 35.761 56.745 -20.984 1
1 98 . 17 1 1 S 15 15 LEU CB C 24 41.179 42.202 -1.023 1
1 101 . 17 1 1 S 15 15 LEU N N 24 116.328 116.045 0.283 1
1 102 . 17 1 1 S 16 16 LEU H H 25 7.396 8.010 -0.614 1
1 103 . 17 1 1 S 16 16 LEU HA H 25 4.350 4.529 -0.179 1
1 112 . 17 1 1 S 16 16 LEU CA C 25 36.365 53.658 -17.293 1
1 113 . 17 1 1 S 16 16 LEU CB C 25 42.493 42.338 0.155 1
1 116 . 17 1 1 S 16 16 LEU N N 25 116.790 121.111 -4.321 1
1 117 . 17 1 1 S 17 17 ALA H H 26 6.894 7.942 -1.048 1
1 118 . 17 1 1 S 17 17 ALA HA H 26 4.349 4.040 0.309 1
1 122 . 17 1 1 S 17 17 ALA CB C 26 39.296 17.547 21.749 1
1 123 . 17 1 1 S 17 17 ALA N N 26 122.802 119.750 3.052 1
1 124 . 17 1 1 S 18 18 ARG H H 27 8.019 7.320 0.699 1
1 125 . 17 1 1 S 18 18 ARG HA H 27 4.429 4.759 -0.330 1
1 132 . 17 1 1 S 18 18 ARG CA C 27 32.436 53.241 -20.805 1
1 133 . 17 1 1 S 18 18 ARG CB C 27 31.405 33.706 -2.301 1
1 136 . 17 1 1 S 18 18 ARG N N 27 116.328 116.118 0.210 1
1 137 . 17 1 1 S 19 19 PRO HA H 28 4.483 4.371 0.112 1
1 144 . 17 1 1 S 19 19 PRO CA C 28 43.719 63.309 -19.590 1
1 145 . 17 1 1 S 19 19 PRO CB C 28 35.007 31.697 3.310 1
1 148 . 17 1 1 S 20 20 LEU H H 29 8.634 8.086 0.548 1
1 149 . 17 1 1 S 20 20 LEU HA H 29 4.286 5.127 -0.841 1
1 159 . 17 1 1 S 20 20 LEU CA C 29 34.887 52.895 -18.008 1
1 160 . 17 1 1 S 20 20 LEU CB C 29 42.067 42.031 0.036 1
1 163 . 17 1 1 S 20 20 LEU N N 29 123.033 120.418 2.615 1
1 164 . 17 1 1 S 21 21 PRO HA H 30 4.273 4.630 -0.357 1
1 171 . 17 1 1 S 21 21 PRO CA C 30 43.649 62.067 -18.418 1
1 172 . 17 1 1 S 21 21 PRO CB C 30 31.638 33.136 -1.498 1
1 175 . 17 1 1 S 22 22 GLU H H 31 8.522 8.796 -0.274 1
1 176 . 17 1 1 S 22 22 GLU HA H 31 3.988 4.140 -0.152 1
1 180 . 17 1 1 S 22 22 GLU CA C 31 39.044 58.958 -19.914 1
1 181 . 17 1 1 S 22 22 GLU CB C 31 29.490 29.575 -0.085 1
1 183 . 17 1 1 S 22 22 GLU N N 31 123.264 120.802 2.462 1
1 184 . 17 1 1 S 23 23 GLY H H 32 8.783 8.373 0.410 1
1 185 . 17 1 1 S 23 23 GLY HA2 H 32 4.177 3.975 0.202 1
1 186 . 17 1 1 S 23 23 GLY HA3 H 32 3.697 4.074 -0.377 1
1 187 . 17 1 1 S 23 23 GLY CA C 32 45.506 47.037 -1.531 1
1 188 . 17 1 1 S 23 23 GLY N N 32 111.472 107.988 3.484 1
1 189 . 17 1 1 S 24 24 VAL H H 33 6.850 7.755 -0.905 1
1 190 . 17 1 1 S 24 24 VAL HA H 33 3.805 3.091 0.714 1
1 198 . 17 1 1 S 24 24 VAL CA C 33 42.632 62.338 -19.706 1
1 199 . 17 1 1 S 24 24 VAL CB C 33 32.321 31.135 1.186 1
1 202 . 17 1 1 S 24 24 VAL N N 33 117.021 120.413 -3.392 1
1 203 . 17 1 1 S 25 25 ASP H H 34 8.276 9.104 -0.828 1
1 206 . 17 1 1 S 25 25 ASP CB C 34 41.766 40.468 1.298 1
1 207 . 17 1 1 S 25 25 ASP N N 34 126.270 128.450 -2.180 1
1 208 . 17 1 1 S 26 26 PRO HA H 35 4.082 4.622 -0.540 1
1 215 . 17 1 1 S 26 26 PRO CA C 35 44.876 63.982 -19.106 1
1 216 . 17 1 1 S 26 26 PRO CB C 35 32.282 31.835 0.447 1
1 219 . 17 1 1 S 27 27 LEU H H 36 8.583 8.316 0.267 1
1 220 . 17 1 1 S 27 27 LEU HA H 36 4.361 4.749 -0.388 1
1 230 . 17 1 1 S 27 27 LEU CA C 36 36.955 53.958 -17.003 1
1 231 . 17 1 1 S 27 27 LEU CB C 36 41.466 42.703 -1.237 1
1 235 . 17 1 1 S 27 27 LEU N N 36 118.640 116.833 1.807 1
1 236 . 17 1 1 S 28 28 LYS H H 37 7.838 7.167 0.671 1
1 237 . 17 1 1 S 28 28 LYS HA H 37 5.037 4.740 0.297 1
1 243 . 17 1 1 S 28 28 LYS CA C 37 35.415 55.217 -19.802 1
1 244 . 17 1 1 S 28 28 LYS CB C 37 33.967 32.561 1.406 1
1 247 . 17 1 1 S 28 28 LYS N N 37 120.258 116.664 3.594 1
1 248 . 17 1 1 S 29 29 LEU H H 38 8.203 7.940 0.263 1
1 249 . 17 1 1 S 29 29 LEU HA H 38 4.266 2.303 1.963 1
1 259 . 17 1 1 S 29 29 LEU CA C 38 39.317 56.341 -17.024 1
1 262 . 17 1 1 S 29 29 LEU N N 38 117.021 124.208 -7.187 1
1 263 . 17 1 1 S 30 30 GLU H H 39 10.041 7.663 2.378 1
1 264 . 17 1 1 S 30 30 GLU HA H 39 4.086 3.417 0.669 1
1 269 . 17 1 1 S 30 30 GLU CA C 39 39.629 58.343 -18.714 1
1 270 . 17 1 1 S 30 30 GLU CB C 39 45.835 28.752 17.083 1
1 272 . 17 1 1 S 30 30 GLU N N 39 114.478 116.581 -2.103 1
1 273 . 17 1 1 S 31 31 ILE H H 40 7.920 7.543 0.377 1
1 274 . 17 1 1 S 31 31 ILE HA H 40 4.266 3.702 0.564 1
1 284 . 17 1 1 S 31 31 ILE CA C 40 44.411 65.052 -20.641 1
1 285 . 17 1 1 S 31 31 ILE CB C 40 37.472 38.017 -0.545 1
1 289 . 17 1 1 S 31 31 ILE N N 40 116.790 121.179 -4.389 1
1 290 . 17 1 1 S 32 32 TYR H H 41 7.426 7.288 0.138 1
1 291 . 17 1 1 S 32 32 TYR HA H 41 4.928 4.619 0.309 1
1 296 . 17 1 1 S 32 32 TYR CB C 41 39.324 38.583 0.741 1
1 297 . 17 1 1 S 32 32 TYR N N 41 119.565 116.820 2.745 1
1 298 . 17 1 1 S 33 33 LEU H H 42 6.749 7.441 -0.692 1
1 299 . 17 1 1 S 33 33 LEU HA H 42 5.266 4.934 0.332 1
1 309 . 17 1 1 S 33 33 LEU CA C 42 33.953 53.047 -19.094 1
1 310 . 17 1 1 S 33 33 LEU CB C 42 45.122 44.827 0.295 1
1 314 . 17 1 1 S 33 33 LEU N N 42 114.709 117.083 -2.374 1
1 315 . 17 1 1 S 34 34 THR H H 43 9.549 8.833 0.716 1
1 316 . 17 1 1 S 34 34 THR HA H 43 4.319 4.656 -0.337 1
1 322 . 17 1 1 S 34 34 THR CA C 43 42.615 61.157 -18.542 1
1 323 . 17 1 1 S 34 34 THR CB C 43 34.267 71.047 -36.780 1
1 325 . 17 1 1 S 34 34 THR N N 43 115.172 113.133 2.039 1
1 326 . 17 1 1 S 35 35 ASP H H 44 9.173 9.145 0.028 1
1 327 . 17 1 1 S 35 35 ASP HA H 44 4.361 4.458 -0.097 1
1 330 . 17 1 1 S 35 35 ASP CA C 44 39.549 57.005 -17.456 1
1 331 . 17 1 1 S 35 35 ASP CB C 44 39.585 39.758 -0.173 1
1 332 . 17 1 1 S 35 35 ASP N N 44 122.339 121.143 1.196 1
1 333 . 17 1 1 S 36 36 GLU H H 45 8.781 8.164 0.617 1
1 334 . 17 1 1 S 36 36 GLU HA H 45 4.119 4.167 -0.048 1
1 339 . 17 1 1 S 36 36 GLU CA C 45 41.388 59.103 -17.715 1
1 340 . 17 1 1 S 36 36 GLU CB C 45 29.301 29.486 -0.185 1
1 342 . 17 1 1 S 36 36 GLU N N 45 118.640 120.501 -1.861 1
1 343 . 17 1 1 S 37 37 ASP H H 46 7.864 8.123 -0.259 1
1 344 . 17 1 1 S 37 37 ASP HA H 46 4.726 4.471 0.255 1
1 347 . 17 1 1 S 37 37 ASP CA C 46 38.055 57.162 -19.107 1
1 348 . 17 1 1 S 37 37 ASP CB C 46 41.567 40.865 0.702 1
1 349 . 17 1 1 S 37 37 ASP N N 46 121.646 120.830 0.816 1
1 350 . 17 1 1 S 38 38 PHE H H 47 9.196 9.114 0.082 1
1 351 . 17 1 1 S 38 38 PHE HA H 47 3.753 4.025 -0.272 1
1 357 . 17 1 1 S 38 38 PHE CA C 47 43.221 61.084 -17.863 1
1 358 . 17 1 1 S 38 38 PHE CB C 47 40.280 38.845 1.435 1
1 359 . 17 1 1 S 38 38 PHE N N 47 122.802 119.806 2.996 1
1 360 . 17 1 1 S 39 39 GLU H H 48 8.496 9.563 -1.067 1
1 361 . 17 1 1 S 39 39 GLU HA H 48 4.413 3.949 0.464 1
1 365 . 17 1 1 S 39 39 GLU CA C 48 40.140 59.387 -19.247 1
1 366 . 17 1 1 S 39 39 GLU CB C 48 29.498 29.187 0.311 1
1 368 . 17 1 1 S 39 39 GLU N N 48 118.177 116.606 1.571 1
1 369 . 17 1 1 S 40 40 PHE H H 49 7.898 7.595 0.303 1
1 370 . 17 1 1 S 40 40 PHE HA H 49 4.320 4.324 -0.004 1
1 376 . 17 1 1 S 40 40 PHE CA C 49 41.713 60.294 -18.581 1
1 377 . 17 1 1 S 40 40 PHE CB C 49 39.847 39.503 0.344 1
1 378 . 17 1 1 S 40 40 PHE N N 49 119.565 119.963 -0.398 1
1 379 . 17 1 1 S 41 41 ALA H H 50 8.637 7.791 0.846 1
1 380 . 17 1 1 S 41 41 ALA HA H 50 3.947 4.328 -0.381 1
1 384 . 17 1 1 S 41 41 ALA CA C 50 35.451 54.526 -19.075 1
1 385 . 17 1 1 S 41 41 ALA CB C 50 39.091 19.135 19.956 1
1 386 . 17 1 1 S 41 41 ALA N N 50 119.565 122.336 -2.771 1
1 387 . 17 1 1 S 42 42 LEU H H 51 8.275 7.861 0.414 1
1 388 . 17 1 1 S 42 42 LEU HA H 51 4.142 4.576 -0.434 1
1 397 . 17 1 1 S 42 42 LEU CA C 51 35.946 54.151 -18.205 1
1 398 . 17 1 1 S 42 42 LEU CB C 51 41.238 42.442 -1.204 1
1 402 . 17 1 1 S 42 42 LEU N N 51 113.553 115.254 -1.701 1
1 403 . 17 1 1 S 43 43 ASP H H 52 7.841 7.735 0.106 1
1 404 . 17 1 1 S 43 43 ASP HA H 52 4.483 4.533 -0.050 1
1 407 . 17 1 1 S 43 43 ASP CA C 52 36.572 55.364 -18.792 1
1 408 . 17 1 1 S 43 43 ASP CB C 52 39.869 39.438 0.431 1
1 409 . 17 1 1 S 43 43 ASP N N 52 115.865 116.786 -0.921 1
1 410 . 17 1 1 S 44 44 MET H H 53 7.424 7.603 -0.179 1
1 411 . 17 1 1 S 44 44 MET HA H 53 4.753 4.814 -0.061 1
1 419 . 17 1 1 S 44 44 MET CA C 53 36.030 53.714 -17.684 1
1 420 . 17 1 1 S 44 44 MET CB C 53 34.947 34.554 0.393 1
1 422 . 17 1 1 S 44 44 MET N N 53 111.703 117.349 -5.646 1
1 423 . 17 1 1 S 45 45 THR H H 54 8.372 7.772 0.600 1
1 424 . 17 1 1 S 45 45 THR HA H 54 4.526 4.368 0.158 1
1 429 . 17 1 1 S 45 45 THR CA C 54 41.951 58.630 -16.679 1
1 430 . 17 1 1 S 45 45 THR CB C 54 33.933 71.566 -37.633 1
1 432 . 17 1 1 S 45 45 THR N N 54 107.079 110.533 -3.454 1
1 433 . 17 1 1 S 46 46 ARG H H 55 8.999 8.323 0.676 1
1 434 . 17 1 1 S 46 46 ARG HA H 55 3.469 3.581 -0.112 1
1 441 . 17 1 1 S 46 46 ARG CA C 55 41.154 58.786 -17.632 1
1 442 . 17 1 1 S 46 46 ARG CB C 55 29.806 29.968 -0.162 1
1 445 . 17 1 1 S 46 46 ARG N N 55 122.570 121.757 0.813 1
1 447 . 17 1 1 S 47 47 ASP H H 56 8.199 7.596 0.603 1
1 448 . 17 1 1 S 47 47 ASP HA H 56 4.334 4.453 -0.119 1
1 451 . 17 1 1 S 47 47 ASP CB C 56 40.724 41.135 -0.411 1
1 452 . 17 1 1 S 47 47 ASP N N 56 116.559 117.211 -0.652 1
1 453 . 17 1 1 S 48 48 GLU H H 57 7.547 7.880 -0.333 1
1 454 . 17 1 1 S 48 48 GLU HA H 57 3.920 4.188 -0.268 1
1 458 . 17 1 1 S 48 48 GLU CA C 57 40.418 58.386 -17.968 1
1 459 . 17 1 1 S 48 48 GLU CB C 57 29.932 30.159 -0.227 1
1 461 . 17 1 1 S 48 48 GLU N N 57 120.721 119.506 1.215 1
1 462 . 17 1 1 S 49 49 TYR H H 58 8.535 8.267 0.268 1
1 463 . 17 1 1 S 49 49 TYR HA H 58 4.181 4.211 -0.030 1
1 468 . 17 1 1 S 49 49 TYR CA C 58 42.353 61.010 -18.657 1
1 469 . 17 1 1 S 49 49 TYR CB C 58 39.530 37.542 1.988 1
1 470 . 17 1 1 S 49 49 TYR N N 58 122.570 119.536 3.034 1
1 471 . 17 1 1 S 50 50 ASN H H 59 8.869 8.428 0.441 1
1 472 . 17 1 1 S 50 50 ASN HA H 59 4.293 4.528 -0.235 1
1 476 . 17 1 1 S 50 50 ASN CA C 59 35.728 55.929 -20.201 1
1 477 . 17 1 1 S 50 50 ASN CB C 59 38.117 38.438 -0.321 1
1 478 . 17 1 1 S 50 50 ASN N N 59 117.484 117.519 -0.035 1
1 480 . 17 1 1 S 51 51 ALA H H 60 7.146 7.138 0.008 1
1 481 . 17 1 1 S 51 51 ALA HA H 60 4.342 4.442 -0.100 1
1 485 . 17 1 1 S 51 51 ALA CA C 60 33.070 52.497 -19.427 1
1 486 . 17 1 1 S 51 51 ALA CB C 60 38.063 20.558 17.505 1
1 487 . 17 1 1 S 51 51 ALA N N 60 120.027 120.542 -0.515 1
1 488 . 17 1 1 S 52 52 LEU H H 61 7.396 7.111 0.285 1
1 489 . 17 1 1 S 52 52 LEU HA H 61 4.338 4.403 -0.065 1
1 499 . 17 1 1 S 52 52 LEU CA C 61 33.941 53.708 -19.767 1
1 500 . 17 1 1 S 52 52 LEU CB C 61 42.540 41.000 1.540 1
1 504 . 17 1 1 S 52 52 LEU N N 61 121.183 121.322 -0.139 1
1 505 . 17 1 1 S 53 53 PRO HA H 62 4.381 4.455 -0.074 1
1 512 . 17 1 1 S 53 53 PRO CA C 62 43.181 62.697 -19.516 1
1 513 . 17 1 1 S 53 53 PRO CB C 62 32.503 32.803 -0.300 1
1 516 . 17 1 1 S 54 54 ALA H H 63 8.847 8.556 0.291 1
1 517 . 17 1 1 S 54 54 ALA HA H 63 3.953 3.997 -0.044 1
1 521 . 17 1 1 S 54 54 ALA CA C 63 36.779 54.108 -17.329 1
1 522 . 17 1 1 S 54 54 ALA CB C 63 36.769 18.664 18.105 1
1 523 . 17 1 1 S 54 54 ALA N N 63 126.270 124.857 1.413 1
1 524 . 17 1 1 S 55 55 TRP H H 64 7.875 7.827 0.048 1
1 525 . 17 1 1 S 55 55 TRP HA H 64 4.378 4.379 -0.001 1
1 534 . 17 1 1 S 55 55 TRP CA C 64 39.808 60.044 -20.236 1
1 535 . 17 1 1 S 55 55 TRP CB C 64 45.794 29.262 16.532 1
1 536 . 17 1 1 S 55 55 TRP N N 64 113.553 120.110 -6.557 1
1 538 . 17 1 1 S 56 56 LYS H H 65 6.197 7.699 -1.502 1
1 539 . 17 1 1 S 56 56 LYS HA H 65 3.631 2.481 1.150 1
1 547 . 17 1 1 S 56 56 LYS CA C 65 39.976 59.032 -19.056 1
1 548 . 17 1 1 S 56 56 LYS CB C 65 32.615 31.499 1.116 1
1 551 . 17 1 1 S 56 56 LYS N N 65 122.802 122.140 0.662 1
1 552 . 17 1 1 S 57 57 GLN H H 66 7.521 7.430 0.091 1
1 553 . 17 1 1 S 57 57 GLN HA H 66 3.585 3.230 0.355 1
1 560 . 17 1 1 S 57 57 GLN CA C 66 40.775 57.914 -17.139 1
1 561 . 17 1 1 S 57 57 GLN CB C 66 46.154 27.446 18.708 1
1 563 . 17 1 1 S 57 57 GLN N N 66 120.480 117.247 3.233 1
1 565 . 17 1 1 S 58 58 VAL H H 67 7.775 8.014 -0.239 1
1 566 . 17 1 1 S 58 58 VAL HA H 67 3.197 3.934 -0.737 1
1 574 . 17 1 1 S 58 58 VAL CA C 67 29.564 66.292 -36.728 1
1 575 . 17 1 1 S 58 58 VAL CB C 67 31.723 31.647 0.076 1
1 578 . 17 1 1 S 58 58 VAL N N 67 117.021 120.938 -3.917 1
1 579 . 17 1 1 S 59 59 ASN H H 68 7.497 9.404 -1.907 1
1 580 . 17 1 1 S 59 59 ASN HA H 68 4.310 4.580 -0.270 1
1 584 . 17 1 1 S 59 59 ASN CA C 68 37.310 56.636 -19.326 1
1 585 . 17 1 1 S 59 59 ASN CB C 68 37.866 38.538 -0.672 1
1 586 . 17 1 1 S 59 59 ASN N N 68 118.177 118.630 -0.453 1
1 588 . 17 1 1 S 60 60 LEU H H 69 8.144 7.561 0.583 1
1 589 . 17 1 1 S 60 60 LEU HA H 69 4.226 4.170 0.056 1
1 599 . 17 1 1 S 60 60 LEU CA C 69 39.078 57.145 -18.067 1
1 600 . 17 1 1 S 60 60 LEU CB C 69 42.244 41.221 1.023 1
1 603 . 17 1 1 S 60 60 LEU N N 69 122.570 120.510 2.060 1
1 604 . 17 1 1 S 61 61 LYS H H 70 8.190 8.267 -0.077 1
1 605 . 17 1 1 S 61 61 LYS HA H 70 3.610 4.065 -0.455 1
1 611 . 17 1 1 S 61 61 LYS CA C 70 43.383 59.781 -16.398 1
1 612 . 17 1 1 S 61 61 LYS CB C 70 32.375 32.658 -0.283 1
1 614 . 17 1 1 S 61 61 LYS N N 70 116.790 120.280 -3.490 1
1 615 . 17 1 1 S 62 62 LYS H H 71 8.863 8.196 0.667 1
1 616 . 17 1 1 S 62 62 LYS HA H 71 4.121 4.063 0.058 1
1 623 . 17 1 1 S 62 62 LYS CA C 71 41.331 59.530 -18.199 1
1 624 . 17 1 1 S 62 62 LYS CB C 71 32.973 32.242 0.731 1
1 628 . 17 1 1 S 62 62 LYS N N 71 119.102 118.112 0.990 1
1 629 . 17 1 1 S 63 63 ALA H H 72 7.734 7.779 -0.045 1
1 630 . 17 1 1 S 63 63 ALA HA H 72 4.211 4.097 0.114 1
1 634 . 17 1 1 S 63 63 ALA CA C 72 35.710 54.782 -19.072 1
1 635 . 17 1 1 S 63 63 ALA CB C 72 37.243 18.576 18.667 1
1 636 . 17 1 1 S 63 63 ALA N N 72 121.414 120.514 0.900 1
1 637 . 17 1 1 S 64 64 LYS H H 73 7.546 8.372 -0.826 1
1 638 . 17 1 1 S 64 64 LYS HA H 73 4.468 4.398 0.070 1
1 644 . 17 1 1 S 64 64 LYS CA C 73 34.628 56.276 -21.648 1
1 645 . 17 1 1 S 64 64 LYS CB C 73 32.588 33.572 -0.984 1
1 646 . 17 1 1 S 64 64 LYS N N 73 114.016 116.139 -2.123 1
1 647 . 17 1 1 S 65 65 GLY H H 74 7.508 8.277 -0.769 1
1 648 . 17 1 1 S 65 65 GLY HA2 H 74 4.260 4.072 0.188 1
1 649 . 17 1 1 S 65 65 GLY HA3 H 74 4.012 4.085 -0.073 1
1 650 . 17 1 1 S 65 65 GLY CA C 74 46.235 45.490 0.745 1
1 651 . 17 1 1 S 65 65 GLY N N 74 105.692 107.979 -2.287 1
1 652 . 17 1 1 S 66 66 LEU H H 75 8.400 7.760 0.640 1
1 653 . 17 1 1 S 66 66 LEU HA H 75 4.519 4.135 0.384 1
1 663 . 17 1 1 S 66 66 LEU CA C 75 34.331 57.964 -23.633 1
1 664 . 17 1 1 S 66 66 LEU CB C 75 42.886 41.640 1.246 1
1 668 . 17 1 1 S 66 66 LEU N N 75 120.952 120.379 0.573 1
1 1 . 18 1 1 S 6 6 CYS HA H 15 4.540 5.013 -0.473 1
1 4 . 18 1 1 S 6 6 CYS CB C 15 28.556 29.446 -0.890 1
1 5 . 18 1 1 S 7 7 LYS HA H 16 4.376 4.673 -0.297 1
1 8 . 18 1 1 S 7 7 LYS CA C 16 37.775 55.943 -18.168 1
1 9 . 18 1 1 S 7 7 LYS CB C 16 33.150 33.755 -0.605 1
1 10 . 18 1 1 S 8 8 THR H H 17 8.305 8.706 -0.401 1
1 11 . 18 1 1 S 8 8 THR HA H 17 4.320 4.863 -0.543 1
1 16 . 18 1 1 S 8 8 THR CA C 17 44.017 60.474 -16.457 1
1 17 . 18 1 1 S 8 8 THR CB C 17 31.886 70.433 -38.547 1
1 19 . 18 1 1 S 8 8 THR N N 17 115.400 118.916 -3.516 1
1 20 . 18 1 1 S 9 9 ILE H H 18 7.450 8.782 -1.332 1
1 21 . 18 1 1 S 9 9 ILE HA H 18 5.077 4.515 0.562 1
1 31 . 18 1 1 S 9 9 ILE CA C 18 38.964 60.322 -21.358 1
1 32 . 18 1 1 S 9 9 ILE CB C 18 40.553 38.690 1.863 1
1 36 . 18 1 1 S 9 9 ILE N N 18 122.802 129.151 -6.349 1
1 37 . 18 1 1 S 10 10 TYR H H 19 9.151 8.284 0.867 1
1 38 . 18 1 1 S 10 10 TYR HA H 19 4.927 4.935 -0.008 1
1 43 . 18 1 1 S 10 10 TYR CB C 19 41.335 39.397 1.938 1
1 44 . 18 1 1 S 10 10 TYR N N 19 124.420 125.748 -1.328 1
1 45 . 18 1 1 S 11 11 PRO HA H 20 4.496 4.579 -0.083 1
1 52 . 18 1 1 S 11 11 PRO CA C 20 43.576 63.219 -19.643 1
1 53 . 18 1 1 S 11 11 PRO CB C 20 32.801 31.931 0.870 1
1 55 . 18 1 1 S 12 12 LEU H H 21 7.790 8.607 -0.817 1
1 56 . 18 1 1 S 12 12 LEU HA H 21 3.896 4.074 -0.178 1
1 66 . 18 1 1 S 12 12 LEU CA C 21 39.620 58.007 -18.387 1
1 67 . 18 1 1 S 12 12 LEU CB C 21 42.245 41.762 0.483 1
1 71 . 18 1 1 S 12 12 LEU N N 21 123.727 125.210 -1.483 1
1 72 . 18 1 1 S 13 13 ALA H H 22 8.995 8.301 0.694 1
1 73 . 18 1 1 S 13 13 ALA HA H 22 3.943 4.114 -0.171 1
1 77 . 18 1 1 S 13 13 ALA CA C 22 36.717 55.823 -19.106 1
1 78 . 18 1 1 S 13 13 ALA CB C 22 37.456 18.205 19.251 1
1 79 . 18 1 1 S 13 13 ALA N N 22 116.790 121.367 -4.577 1
1 80 . 18 1 1 S 14 14 ASP H H 23 7.393 7.909 -0.516 1
1 81 . 18 1 1 S 14 14 ASP HA H 23 4.387 4.353 0.034 1
1 84 . 18 1 1 S 14 14 ASP CB C 23 40.902 40.698 0.204 1
1 85 . 18 1 1 S 14 14 ASP N N 23 115.403 118.303 -2.900 1
1 86 . 18 1 1 S 15 15 LEU H H 24 7.452 7.752 -0.300 1
1 87 . 18 1 1 S 15 15 LEU HA H 24 4.281 4.126 0.155 1
1 97 . 18 1 1 S 15 15 LEU CA C 24 35.761 56.941 -21.180 1
1 98 . 18 1 1 S 15 15 LEU CB C 24 41.179 42.043 -0.864 1
1 101 . 18 1 1 S 15 15 LEU N N 24 116.328 116.331 -0.003 1
1 102 . 18 1 1 S 16 16 LEU H H 25 7.396 8.088 -0.692 1
1 103 . 18 1 1 S 16 16 LEU HA H 25 4.350 4.164 0.186 1
1 112 . 18 1 1 S 16 16 LEU CA C 25 36.365 57.101 -20.736 1
1 113 . 18 1 1 S 16 16 LEU CB C 25 42.493 42.526 -0.033 1
1 116 . 18 1 1 S 16 16 LEU N N 25 116.790 121.491 -4.701 1
1 117 . 18 1 1 S 17 17 ALA H H 26 6.894 7.420 -0.526 1
1 118 . 18 1 1 S 17 17 ALA HA H 26 4.349 4.569 -0.220 1
1 122 . 18 1 1 S 17 17 ALA CB C 26 39.296 19.400 19.896 1
1 123 . 18 1 1 S 17 17 ALA N N 26 122.802 119.591 3.211 1
1 124 . 18 1 1 S 18 18 ARG H H 27 8.019 7.104 0.915 1
1 125 . 18 1 1 S 18 18 ARG HA H 27 4.429 4.930 -0.501 1
1 132 . 18 1 1 S 18 18 ARG CA C 27 32.436 53.967 -21.531 1
1 133 . 18 1 1 S 18 18 ARG CB C 27 31.405 33.160 -1.755 1
1 136 . 18 1 1 S 18 18 ARG N N 27 116.328 114.803 1.525 1
1 137 . 18 1 1 S 19 19 PRO HA H 28 4.483 4.426 0.057 1
1 144 . 18 1 1 S 19 19 PRO CA C 28 43.719 62.283 -18.564 1
1 145 . 18 1 1 S 19 19 PRO CB C 28 35.007 29.496 5.511 1
1 148 . 18 1 1 S 20 20 LEU H H 29 8.634 8.629 0.005 1
1 149 . 18 1 1 S 20 20 LEU HA H 29 4.286 4.425 -0.139 1
1 159 . 18 1 1 S 20 20 LEU CA C 29 34.887 52.978 -18.091 1
1 160 . 18 1 1 S 20 20 LEU CB C 29 42.067 41.760 0.307 1
1 163 . 18 1 1 S 20 20 LEU N N 29 123.033 119.898 3.135 1
1 164 . 18 1 1 S 21 21 PRO HA H 30 4.273 4.422 -0.149 1
1 171 . 18 1 1 S 21 21 PRO CA C 30 43.649 62.121 -18.472 1
1 172 . 18 1 1 S 21 21 PRO CB C 30 31.638 32.938 -1.300 1
1 175 . 18 1 1 S 22 22 GLU H H 31 8.522 8.738 -0.216 1
1 176 . 18 1 1 S 22 22 GLU HA H 31 3.988 4.230 -0.242 1
1 180 . 18 1 1 S 22 22 GLU CA C 31 39.044 58.566 -19.522 1
1 181 . 18 1 1 S 22 22 GLU CB C 31 29.490 29.819 -0.329 1
1 183 . 18 1 1 S 22 22 GLU N N 31 123.264 120.265 2.999 1
1 184 . 18 1 1 S 23 23 GLY H H 32 8.783 8.533 0.250 1
1 185 . 18 1 1 S 23 23 GLY HA2 H 32 4.177 4.027 0.150 1
1 186 . 18 1 1 S 23 23 GLY HA3 H 32 3.697 4.102 -0.405 1
1 187 . 18 1 1 S 23 23 GLY CA C 32 45.506 47.148 -1.642 1
1 188 . 18 1 1 S 23 23 GLY N N 32 111.472 108.036 3.436 1
1 189 . 18 1 1 S 24 24 VAL H H 33 6.850 7.689 -0.839 1
1 190 . 18 1 1 S 24 24 VAL HA H 33 3.805 3.364 0.441 1
1 198 . 18 1 1 S 24 24 VAL CA C 33 42.632 62.275 -19.643 1
1 199 . 18 1 1 S 24 24 VAL CB C 33 32.321 31.647 0.674 1
1 202 . 18 1 1 S 24 24 VAL N N 33 117.021 120.519 -3.498 1
1 203 . 18 1 1 S 25 25 ASP H H 34 8.276 9.200 -0.924 1
1 206 . 18 1 1 S 25 25 ASP CB C 34 41.766 41.177 0.589 1
1 207 . 18 1 1 S 25 25 ASP N N 34 126.270 128.250 -1.980 1
1 208 . 18 1 1 S 26 26 PRO HA H 35 4.082 4.530 -0.448 1
1 215 . 18 1 1 S 26 26 PRO CA C 35 44.876 64.426 -19.550 1
1 216 . 18 1 1 S 26 26 PRO CB C 35 32.282 31.989 0.293 1
1 219 . 18 1 1 S 27 27 LEU H H 36 8.583 8.421 0.162 1
1 220 . 18 1 1 S 27 27 LEU HA H 36 4.361 4.661 -0.300 1
1 230 . 18 1 1 S 27 27 LEU CA C 36 36.955 55.869 -18.914 1
1 231 . 18 1 1 S 27 27 LEU CB C 36 41.466 41.702 -0.236 1
1 235 . 18 1 1 S 27 27 LEU N N 36 118.640 115.445 3.195 1
1 236 . 18 1 1 S 28 28 LYS H H 37 7.838 7.312 0.526 1
1 237 . 18 1 1 S 28 28 LYS HA H 37 5.037 4.658 0.379 1
1 243 . 18 1 1 S 28 28 LYS CA C 37 35.415 55.349 -19.934 1
1 244 . 18 1 1 S 28 28 LYS CB C 37 33.967 35.375 -1.408 1
1 247 . 18 1 1 S 28 28 LYS N N 37 120.258 116.360 3.898 1
1 248 . 18 1 1 S 29 29 LEU H H 38 8.203 8.865 -0.662 1
1 249 . 18 1 1 S 29 29 LEU HA H 38 4.266 3.436 0.830 1
1 259 . 18 1 1 S 29 29 LEU CA C 38 39.317 56.718 -17.401 1
1 262 . 18 1 1 S 29 29 LEU N N 38 117.021 122.256 -5.235 1
1 263 . 18 1 1 S 30 30 GLU H H 39 10.041 8.160 1.881 1
1 264 . 18 1 1 S 30 30 GLU HA H 39 4.086 3.661 0.425 1
1 269 . 18 1 1 S 30 30 GLU CA C 39 39.629 58.484 -18.855 1
1 270 . 18 1 1 S 30 30 GLU CB C 39 45.835 28.640 17.195 1
1 272 . 18 1 1 S 30 30 GLU N N 39 114.478 116.789 -2.311 1
1 273 . 18 1 1 S 31 31 ILE H H 40 7.920 7.485 0.435 1
1 274 . 18 1 1 S 31 31 ILE HA H 40 4.266 3.962 0.304 1
1 284 . 18 1 1 S 31 31 ILE CA C 40 44.411 63.991 -19.580 1
1 285 . 18 1 1 S 31 31 ILE CB C 40 37.472 37.245 0.227 1
1 289 . 18 1 1 S 31 31 ILE N N 40 116.790 117.188 -0.398 1
1 290 . 18 1 1 S 32 32 TYR H H 41 7.426 7.616 -0.190 1
1 291 . 18 1 1 S 32 32 TYR HA H 41 4.928 4.769 0.159 1
1 296 . 18 1 1 S 32 32 TYR CB C 41 39.324 38.627 0.697 1
1 297 . 18 1 1 S 32 32 TYR N N 41 119.565 117.865 1.700 1
1 298 . 18 1 1 S 33 33 LEU H H 42 6.749 7.389 -0.640 1
1 299 . 18 1 1 S 33 33 LEU HA H 42 5.266 4.978 0.288 1
1 309 . 18 1 1 S 33 33 LEU CA C 42 33.953 53.353 -19.400 1
1 310 . 18 1 1 S 33 33 LEU CB C 42 45.122 44.503 0.619 1
1 314 . 18 1 1 S 33 33 LEU N N 42 114.709 117.127 -2.418 1
1 315 . 18 1 1 S 34 34 THR H H 43 9.549 8.697 0.852 1
1 316 . 18 1 1 S 34 34 THR HA H 43 4.319 4.533 -0.214 1
1 322 . 18 1 1 S 34 34 THR CA C 43 42.615 62.591 -19.976 1
1 323 . 18 1 1 S 34 34 THR CB C 43 34.267 69.258 -34.991 1
1 325 . 18 1 1 S 34 34 THR N N 43 115.172 118.331 -3.159 1
1 326 . 18 1 1 S 35 35 ASP H H 44 9.173 9.267 -0.094 1
1 327 . 18 1 1 S 35 35 ASP HA H 44 4.361 4.468 -0.107 1
1 330 . 18 1 1 S 35 35 ASP CA C 44 39.549 56.983 -17.434 1
1 331 . 18 1 1 S 35 35 ASP CB C 44 39.585 40.151 -0.566 1
1 332 . 18 1 1 S 35 35 ASP N N 44 122.339 126.541 -4.202 1
1 333 . 18 1 1 S 36 36 GLU H H 45 8.781 8.339 0.442 1
1 334 . 18 1 1 S 36 36 GLU HA H 45 4.119 4.174 -0.055 1
1 339 . 18 1 1 S 36 36 GLU CA C 45 41.388 59.070 -17.682 1
1 340 . 18 1 1 S 36 36 GLU CB C 45 29.301 29.445 -0.144 1
1 342 . 18 1 1 S 36 36 GLU N N 45 118.640 120.018 -1.378 1
1 343 . 18 1 1 S 37 37 ASP H H 46 7.864 8.110 -0.246 1
1 344 . 18 1 1 S 37 37 ASP HA H 46 4.726 4.479 0.247 1
1 347 . 18 1 1 S 37 37 ASP CA C 46 38.055 57.225 -19.170 1
1 348 . 18 1 1 S 37 37 ASP CB C 46 41.567 40.565 1.002 1
1 349 . 18 1 1 S 37 37 ASP N N 46 121.646 120.233 1.413 1
1 350 . 18 1 1 S 38 38 PHE H H 47 9.196 9.641 -0.445 1
1 351 . 18 1 1 S 38 38 PHE HA H 47 3.753 4.072 -0.319 1
1 357 . 18 1 1 S 38 38 PHE CA C 47 43.221 61.249 -18.028 1
1 358 . 18 1 1 S 38 38 PHE CB C 47 40.280 38.749 1.531 1
1 359 . 18 1 1 S 38 38 PHE N N 47 122.802 119.864 2.938 1
1 360 . 18 1 1 S 39 39 GLU H H 48 8.496 9.547 -1.051 1
1 361 . 18 1 1 S 39 39 GLU HA H 48 4.413 4.147 0.266 1
1 365 . 18 1 1 S 39 39 GLU CA C 48 40.140 59.342 -19.202 1
1 366 . 18 1 1 S 39 39 GLU CB C 48 29.498 29.406 0.092 1
1 368 . 18 1 1 S 39 39 GLU N N 48 118.177 118.320 -0.143 1
1 369 . 18 1 1 S 40 40 PHE H H 49 7.898 8.280 -0.382 1
1 370 . 18 1 1 S 40 40 PHE HA H 49 4.320 4.202 0.118 1
1 376 . 18 1 1 S 40 40 PHE CA C 49 41.713 60.251 -18.538 1
1 377 . 18 1 1 S 40 40 PHE CB C 49 39.847 39.874 -0.027 1
1 378 . 18 1 1 S 40 40 PHE N N 49 119.565 122.123 -2.558 1
1 379 . 18 1 1 S 41 41 ALA H H 50 8.637 7.802 0.835 1
1 380 . 18 1 1 S 41 41 ALA HA H 50 3.947 4.421 -0.474 1
1 384 . 18 1 1 S 41 41 ALA CA C 50 35.451 54.222 -18.771 1
1 385 . 18 1 1 S 41 41 ALA CB C 50 39.091 19.522 19.569 1
1 386 . 18 1 1 S 41 41 ALA N N 50 119.565 121.718 -2.153 1
1 387 . 18 1 1 S 42 42 LEU H H 51 8.275 7.777 0.498 1
1 388 . 18 1 1 S 42 42 LEU HA H 51 4.142 4.511 -0.369 1
1 397 . 18 1 1 S 42 42 LEU CA C 51 35.946 54.453 -18.507 1
1 398 . 18 1 1 S 42 42 LEU CB C 51 41.238 42.575 -1.337 1
1 402 . 18 1 1 S 42 42 LEU N N 51 113.553 115.409 -1.856 1
1 403 . 18 1 1 S 43 43 ASP H H 52 7.841 7.843 -0.002 1
1 404 . 18 1 1 S 43 43 ASP HA H 52 4.483 4.619 -0.136 1
1 407 . 18 1 1 S 43 43 ASP CA C 52 36.572 55.390 -18.818 1
1 408 . 18 1 1 S 43 43 ASP CB C 52 39.869 39.479 0.390 1
1 409 . 18 1 1 S 43 43 ASP N N 52 115.865 116.833 -0.968 1
1 410 . 18 1 1 S 44 44 MET H H 53 7.424 7.248 0.176 1
1 411 . 18 1 1 S 44 44 MET HA H 53 4.753 4.646 0.107 1
1 419 . 18 1 1 S 44 44 MET CA C 53 36.030 53.293 -17.263 1
1 420 . 18 1 1 S 44 44 MET CB C 53 34.947 34.299 0.648 1
1 422 . 18 1 1 S 44 44 MET N N 53 111.703 117.272 -5.569 1
1 423 . 18 1 1 S 45 45 THR H H 54 8.372 7.714 0.658 1
1 424 . 18 1 1 S 45 45 THR HA H 54 4.526 4.162 0.364 1
1 429 . 18 1 1 S 45 45 THR CA C 54 41.951 58.587 -16.636 1
1 430 . 18 1 1 S 45 45 THR CB C 54 33.933 71.700 -37.767 1
1 432 . 18 1 1 S 45 45 THR N N 54 107.079 111.187 -4.108 1
1 433 . 18 1 1 S 46 46 ARG H H 55 8.999 8.348 0.651 1
1 434 . 18 1 1 S 46 46 ARG HA H 55 3.469 3.866 -0.397 1
1 441 . 18 1 1 S 46 46 ARG CA C 55 41.154 59.071 -17.917 1
1 442 . 18 1 1 S 46 46 ARG CB C 55 29.806 29.971 -0.165 1
1 445 . 18 1 1 S 46 46 ARG N N 55 122.570 121.716 0.854 1
1 447 . 18 1 1 S 47 47 ASP H H 56 8.199 7.907 0.292 1
1 448 . 18 1 1 S 47 47 ASP HA H 56 4.334 4.415 -0.081 1
1 451 . 18 1 1 S 47 47 ASP CB C 56 40.724 40.849 -0.125 1
1 452 . 18 1 1 S 47 47 ASP N N 56 116.559 117.501 -0.942 1
1 453 . 18 1 1 S 48 48 GLU H H 57 7.547 7.529 0.018 1
1 454 . 18 1 1 S 48 48 GLU HA H 57 3.920 4.130 -0.210 1
1 458 . 18 1 1 S 48 48 GLU CA C 57 40.418 58.291 -17.873 1
1 459 . 18 1 1 S 48 48 GLU CB C 57 29.932 30.206 -0.274 1
1 461 . 18 1 1 S 48 48 GLU N N 57 120.721 119.334 1.387 1
1 462 . 18 1 1 S 49 49 TYR H H 58 8.535 7.983 0.552 1
1 463 . 18 1 1 S 49 49 TYR HA H 58 4.181 4.203 -0.022 1
1 468 . 18 1 1 S 49 49 TYR CA C 58 42.353 61.195 -18.842 1
1 469 . 18 1 1 S 49 49 TYR CB C 58 39.530 37.404 2.126 1
1 470 . 18 1 1 S 49 49 TYR N N 58 122.570 119.926 2.644 1
1 471 . 18 1 1 S 50 50 ASN H H 59 8.869 8.405 0.464 1
1 472 . 18 1 1 S 50 50 ASN HA H 59 4.293 4.531 -0.238 1
1 476 . 18 1 1 S 50 50 ASN CA C 59 35.728 56.035 -20.307 1
1 477 . 18 1 1 S 50 50 ASN CB C 59 38.117 38.386 -0.269 1
1 478 . 18 1 1 S 50 50 ASN N N 59 117.484 117.394 0.090 1
1 480 . 18 1 1 S 51 51 ALA H H 60 7.146 7.504 -0.358 1
1 481 . 18 1 1 S 51 51 ALA HA H 60 4.342 4.449 -0.107 1
1 485 . 18 1 1 S 51 51 ALA CA C 60 33.070 52.437 -19.367 1
1 486 . 18 1 1 S 51 51 ALA CB C 60 38.063 20.864 17.199 1
1 487 . 18 1 1 S 51 51 ALA N N 60 120.027 120.121 -0.094 1
1 488 . 18 1 1 S 52 52 LEU H H 61 7.396 7.439 -0.043 1
1 489 . 18 1 1 S 52 52 LEU HA H 61 4.338 4.397 -0.059 1
1 499 . 18 1 1 S 52 52 LEU CA C 61 33.941 53.637 -19.696 1
1 500 . 18 1 1 S 52 52 LEU CB C 61 42.540 41.001 1.539 1
1 504 . 18 1 1 S 52 52 LEU N N 61 121.183 121.496 -0.313 1
1 505 . 18 1 1 S 53 53 PRO HA H 62 4.381 4.511 -0.130 1
1 512 . 18 1 1 S 53 53 PRO CA C 62 43.181 62.758 -19.577 1
1 513 . 18 1 1 S 53 53 PRO CB C 62 32.503 32.467 0.036 1
1 516 . 18 1 1 S 54 54 ALA H H 63 8.847 8.561 0.286 1
1 517 . 18 1 1 S 54 54 ALA HA H 63 3.953 3.972 -0.019 1
1 521 . 18 1 1 S 54 54 ALA CA C 63 36.779 53.733 -16.954 1
1 522 . 18 1 1 S 54 54 ALA CB C 63 36.769 18.668 18.101 1
1 523 . 18 1 1 S 54 54 ALA N N 63 126.270 125.042 1.228 1
1 524 . 18 1 1 S 55 55 TRP H H 64 7.875 7.804 0.071 1
1 525 . 18 1 1 S 55 55 TRP HA H 64 4.378 4.363 0.015 1
1 534 . 18 1 1 S 55 55 TRP CA C 64 39.808 59.991 -20.183 1
1 535 . 18 1 1 S 55 55 TRP CB C 64 45.794 29.289 16.505 1
1 536 . 18 1 1 S 55 55 TRP N N 64 113.553 119.880 -6.327 1
1 538 . 18 1 1 S 56 56 LYS H H 65 6.197 7.536 -1.339 1
1 539 . 18 1 1 S 56 56 LYS HA H 65 3.631 2.331 1.300 1
1 547 . 18 1 1 S 56 56 LYS CA C 65 39.976 58.973 -18.997 1
1 548 . 18 1 1 S 56 56 LYS CB C 65 32.615 31.643 0.972 1
1 551 . 18 1 1 S 56 56 LYS N N 65 122.802 121.448 1.354 1
1 552 . 18 1 1 S 57 57 GLN H H 66 7.521 7.369 0.152 1
1 553 . 18 1 1 S 57 57 GLN HA H 66 3.585 3.231 0.354 1
1 560 . 18 1 1 S 57 57 GLN CA C 66 40.775 57.865 -17.090 1
1 561 . 18 1 1 S 57 57 GLN CB C 66 46.154 27.472 18.682 1
1 563 . 18 1 1 S 57 57 GLN N N 66 120.480 117.125 3.355 1
1 565 . 18 1 1 S 58 58 VAL H H 67 7.775 7.904 -0.129 1
1 566 . 18 1 1 S 58 58 VAL HA H 67 3.197 3.396 -0.199 1
1 574 . 18 1 1 S 58 58 VAL CA C 67 29.564 66.180 -36.616 1
1 575 . 18 1 1 S 58 58 VAL CB C 67 31.723 31.425 0.298 1
1 578 . 18 1 1 S 58 58 VAL N N 67 117.021 120.869 -3.848 1
1 579 . 18 1 1 S 59 59 ASN H H 68 7.497 9.167 -1.670 1
1 580 . 18 1 1 S 59 59 ASN HA H 68 4.310 4.519 -0.209 1
1 584 . 18 1 1 S 59 59 ASN CA C 68 37.310 56.443 -19.133 1
1 585 . 18 1 1 S 59 59 ASN CB C 68 37.866 38.465 -0.599 1
1 586 . 18 1 1 S 59 59 ASN N N 68 118.177 118.444 -0.267 1
1 588 . 18 1 1 S 60 60 LEU H H 69 8.144 7.674 0.470 1
1 589 . 18 1 1 S 60 60 LEU HA H 69 4.226 4.109 0.117 1
1 599 . 18 1 1 S 60 60 LEU CA C 69 39.078 56.322 -17.244 1
1 600 . 18 1 1 S 60 60 LEU CB C 69 42.244 41.626 0.618 1
1 603 . 18 1 1 S 60 60 LEU N N 69 122.570 119.899 2.671 1
1 604 . 18 1 1 S 61 61 LYS H H 70 8.190 8.187 0.003 1
1 605 . 18 1 1 S 61 61 LYS HA H 70 3.610 4.095 -0.485 1
1 611 . 18 1 1 S 61 61 LYS CA C 70 43.383 59.526 -16.143 1
1 612 . 18 1 1 S 61 61 LYS CB C 70 32.375 32.406 -0.031 1
1 614 . 18 1 1 S 61 61 LYS N N 70 116.790 120.773 -3.983 1
1 615 . 18 1 1 S 62 62 LYS H H 71 8.863 7.976 0.887 1
1 616 . 18 1 1 S 62 62 LYS HA H 71 4.121 4.118 0.003 1
1 623 . 18 1 1 S 62 62 LYS CA C 71 41.331 59.671 -18.340 1
1 624 . 18 1 1 S 62 62 LYS CB C 71 32.973 32.337 0.636 1
1 628 . 18 1 1 S 62 62 LYS N N 71 119.102 119.639 -0.537 1
1 629 . 18 1 1 S 63 63 ALA H H 72 7.734 7.916 -0.182 1
1 630 . 18 1 1 S 63 63 ALA HA H 72 4.211 4.043 0.168 1
1 634 . 18 1 1 S 63 63 ALA CA C 72 35.710 54.837 -19.127 1
1 635 . 18 1 1 S 63 63 ALA CB C 72 37.243 18.681 18.562 1
1 636 . 18 1 1 S 63 63 ALA N N 72 121.414 121.847 -0.433 1
1 637 . 18 1 1 S 64 64 LYS H H 73 7.546 7.663 -0.117 1
1 638 . 18 1 1 S 64 64 LYS HA H 73 4.468 4.374 0.094 1
1 644 . 18 1 1 S 64 64 LYS CA C 73 34.628 56.859 -22.231 1
1 645 . 18 1 1 S 64 64 LYS CB C 73 32.588 33.337 -0.749 1
1 646 . 18 1 1 S 64 64 LYS N N 73 114.016 116.596 -2.580 1
1 647 . 18 1 1 S 65 65 GLY H H 74 7.508 7.863 -0.355 1
1 648 . 18 1 1 S 65 65 GLY HA2 H 74 4.260 4.081 0.179 1
1 649 . 18 1 1 S 65 65 GLY HA3 H 74 4.012 4.083 -0.071 1
1 650 . 18 1 1 S 65 65 GLY CA C 74 46.235 45.083 1.152 1
1 651 . 18 1 1 S 65 65 GLY N N 74 105.692 107.516 -1.824 1
1 652 . 18 1 1 S 66 66 LEU H H 75 8.400 8.331 0.069 1
1 653 . 18 1 1 S 66 66 LEU HA H 75 4.519 4.419 0.100 1
1 663 . 18 1 1 S 66 66 LEU CA C 75 34.331 56.403 -22.072 1
1 664 . 18 1 1 S 66 66 LEU CB C 75 42.886 42.745 0.141 1
1 668 . 18 1 1 S 66 66 LEU N N 75 120.952 118.712 2.240 1
1 1 . 19 1 1 S 6 6 CYS HA H 15 4.540 5.163 -0.623 1
1 4 . 19 1 1 S 6 6 CYS CB C 15 28.556 31.318 -2.762 1
1 5 . 19 1 1 S 7 7 LYS HA H 16 4.376 4.782 -0.406 1
1 8 . 19 1 1 S 7 7 LYS CA C 16 37.775 55.745 -17.970 1
1 9 . 19 1 1 S 7 7 LYS CB C 16 33.150 33.773 -0.623 1
1 10 . 19 1 1 S 8 8 THR H H 17 8.305 8.781 -0.476 1
1 11 . 19 1 1 S 8 8 THR HA H 17 4.320 4.897 -0.577 1
1 16 . 19 1 1 S 8 8 THR CA C 17 44.017 62.504 -18.487 1
1 17 . 19 1 1 S 8 8 THR CB C 17 31.886 69.325 -37.439 1
1 19 . 19 1 1 S 8 8 THR N N 17 115.400 119.644 -4.244 1
1 20 . 19 1 1 S 9 9 ILE H H 18 7.450 8.696 -1.246 1
1 21 . 19 1 1 S 9 9 ILE HA H 18 5.077 4.792 0.285 1
1 31 . 19 1 1 S 9 9 ILE CA C 18 38.964 59.710 -20.746 1
1 32 . 19 1 1 S 9 9 ILE CB C 18 40.553 39.814 0.739 1
1 36 . 19 1 1 S 9 9 ILE N N 18 122.802 123.676 -0.874 1
1 37 . 19 1 1 S 10 10 TYR H H 19 9.151 8.340 0.811 1
1 38 . 19 1 1 S 10 10 TYR HA H 19 4.927 4.888 0.039 1
1 43 . 19 1 1 S 10 10 TYR CB C 19 41.335 39.253 2.082 1
1 44 . 19 1 1 S 10 10 TYR N N 19 124.420 122.069 2.351 1
1 45 . 19 1 1 S 11 11 PRO HA H 20 4.496 4.544 -0.048 1
1 52 . 19 1 1 S 11 11 PRO CA C 20 43.576 63.122 -19.546 1
1 53 . 19 1 1 S 11 11 PRO CB C 20 32.801 31.824 0.977 1
1 55 . 19 1 1 S 12 12 LEU H H 21 7.790 8.580 -0.790 1
1 56 . 19 1 1 S 12 12 LEU HA H 21 3.896 4.001 -0.105 1
1 66 . 19 1 1 S 12 12 LEU CA C 21 39.620 57.808 -18.188 1
1 67 . 19 1 1 S 12 12 LEU CB C 21 42.245 41.714 0.531 1
1 71 . 19 1 1 S 12 12 LEU N N 21 123.727 124.903 -1.176 1
1 72 . 19 1 1 S 13 13 ALA H H 22 8.995 8.118 0.877 1
1 73 . 19 1 1 S 13 13 ALA HA H 22 3.943 4.023 -0.080 1
1 77 . 19 1 1 S 13 13 ALA CA C 22 36.717 55.254 -18.537 1
1 78 . 19 1 1 S 13 13 ALA CB C 22 37.456 17.954 19.502 1
1 79 . 19 1 1 S 13 13 ALA N N 22 116.790 121.834 -5.044 1
1 80 . 19 1 1 S 14 14 ASP H H 23 7.393 8.589 -1.196 1
1 81 . 19 1 1 S 14 14 ASP HA H 23 4.387 4.440 -0.053 1
1 84 . 19 1 1 S 14 14 ASP CB C 23 40.902 40.330 0.572 1
1 85 . 19 1 1 S 14 14 ASP N N 23 115.403 119.104 -3.701 1
1 86 . 19 1 1 S 15 15 LEU H H 24 7.452 7.487 -0.035 1
1 87 . 19 1 1 S 15 15 LEU HA H 24 4.281 4.428 -0.147 1
1 97 . 19 1 1 S 15 15 LEU CA C 24 35.761 55.922 -20.161 1
1 98 . 19 1 1 S 15 15 LEU CB C 24 41.179 42.423 -1.244 1
1 101 . 19 1 1 S 15 15 LEU N N 24 116.328 114.477 1.851 1
1 102 . 19 1 1 S 16 16 LEU H H 25 7.396 7.786 -0.390 1
1 103 . 19 1 1 S 16 16 LEU HA H 25 4.350 4.470 -0.120 1
1 112 . 19 1 1 S 16 16 LEU CA C 25 36.365 54.534 -18.169 1
1 113 . 19 1 1 S 16 16 LEU CB C 25 42.493 43.095 -0.602 1
1 116 . 19 1 1 S 16 16 LEU N N 25 116.790 119.973 -3.183 1
1 117 . 19 1 1 S 17 17 ALA H H 26 6.894 7.490 -0.596 1
1 118 . 19 1 1 S 17 17 ALA HA H 26 4.349 4.590 -0.241 1
1 122 . 19 1 1 S 17 17 ALA CB C 26 39.296 19.295 20.001 1
1 123 . 19 1 1 S 17 17 ALA N N 26 122.802 120.587 2.215 1
1 124 . 19 1 1 S 18 18 ARG H H 27 8.019 7.743 0.276 1
1 125 . 19 1 1 S 18 18 ARG HA H 27 4.429 4.890 -0.461 1
1 132 . 19 1 1 S 18 18 ARG CA C 27 32.436 53.308 -20.872 1
1 133 . 19 1 1 S 18 18 ARG CB C 27 31.405 34.053 -2.648 1
1 136 . 19 1 1 S 18 18 ARG N N 27 116.328 117.755 -1.427 1
1 137 . 19 1 1 S 19 19 PRO HA H 28 4.483 4.602 -0.119 1
1 144 . 19 1 1 S 19 19 PRO CA C 28 43.719 62.348 -18.629 1
1 145 . 19 1 1 S 19 19 PRO CB C 28 35.007 28.989 6.018 1
1 148 . 19 1 1 S 20 20 LEU H H 29 8.634 9.139 -0.505 1
1 149 . 19 1 1 S 20 20 LEU HA H 29 4.286 4.478 -0.192 1
1 159 . 19 1 1 S 20 20 LEU CA C 29 34.887 53.297 -18.410 1
1 160 . 19 1 1 S 20 20 LEU CB C 29 42.067 41.785 0.282 1
1 163 . 19 1 1 S 20 20 LEU N N 29 123.033 119.777 3.256 1
1 164 . 19 1 1 S 21 21 PRO HA H 30 4.273 4.630 -0.357 1
1 171 . 19 1 1 S 21 21 PRO CA C 30 43.649 62.273 -18.624 1
1 172 . 19 1 1 S 21 21 PRO CB C 30 31.638 33.078 -1.440 1
1 175 . 19 1 1 S 22 22 GLU H H 31 8.522 8.807 -0.285 1
1 176 . 19 1 1 S 22 22 GLU HA H 31 3.988 4.379 -0.391 1
1 180 . 19 1 1 S 22 22 GLU CA C 31 39.044 57.350 -18.306 1
1 181 . 19 1 1 S 22 22 GLU CB C 31 29.490 29.667 -0.177 1
1 183 . 19 1 1 S 22 22 GLU N N 31 123.264 120.892 2.372 1
1 184 . 19 1 1 S 23 23 GLY H H 32 8.783 8.420 0.363 1
1 185 . 19 1 1 S 23 23 GLY HA2 H 32 4.177 3.978 0.199 1
1 186 . 19 1 1 S 23 23 GLY HA3 H 32 3.697 4.046 -0.349 1
1 187 . 19 1 1 S 23 23 GLY CA C 32 45.506 46.907 -1.401 1
1 188 . 19 1 1 S 23 23 GLY N N 32 111.472 107.943 3.529 1
1 189 . 19 1 1 S 24 24 VAL H H 33 6.850 7.587 -0.737 1
1 190 . 19 1 1 S 24 24 VAL HA H 33 3.805 3.491 0.314 1
1 198 . 19 1 1 S 24 24 VAL CA C 33 42.632 60.876 -18.244 1
1 199 . 19 1 1 S 24 24 VAL CB C 33 32.321 31.171 1.150 1
1 202 . 19 1 1 S 24 24 VAL N N 33 117.021 117.779 -0.758 1
1 203 . 19 1 1 S 25 25 ASP H H 34 8.276 8.990 -0.714 1
1 206 . 19 1 1 S 25 25 ASP CB C 34 41.766 40.804 0.962 1
1 207 . 19 1 1 S 25 25 ASP N N 34 126.270 127.460 -1.190 1
1 208 . 19 1 1 S 26 26 PRO HA H 35 4.082 4.452 -0.370 1
1 215 . 19 1 1 S 26 26 PRO CA C 35 44.876 65.904 -21.028 1
1 216 . 19 1 1 S 26 26 PRO CB C 35 32.282 31.908 0.374 1
1 219 . 19 1 1 S 27 27 LEU H H 36 8.583 8.410 0.173 1
1 220 . 19 1 1 S 27 27 LEU HA H 36 4.361 4.293 0.068 1
1 230 . 19 1 1 S 27 27 LEU CA C 36 36.955 56.129 -19.174 1
1 231 . 19 1 1 S 27 27 LEU CB C 36 41.466 41.434 0.032 1
1 235 . 19 1 1 S 27 27 LEU N N 36 118.640 115.025 3.615 1
1 236 . 19 1 1 S 28 28 LYS H H 37 7.838 8.235 -0.397 1
1 237 . 19 1 1 S 28 28 LYS HA H 37 5.037 4.519 0.518 1
1 243 . 19 1 1 S 28 28 LYS CA C 37 35.415 55.190 -19.775 1
1 244 . 19 1 1 S 28 28 LYS CB C 37 33.967 33.940 0.027 1
1 247 . 19 1 1 S 28 28 LYS N N 37 120.258 116.924 3.334 1
1 248 . 19 1 1 S 29 29 LEU H H 38 8.203 8.085 0.118 1
1 249 . 19 1 1 S 29 29 LEU HA H 38 4.266 3.797 0.469 1
1 259 . 19 1 1 S 29 29 LEU CA C 38 39.317 56.771 -17.454 1
1 262 . 19 1 1 S 29 29 LEU N N 38 117.021 124.289 -7.268 1
1 263 . 19 1 1 S 30 30 GLU H H 39 10.041 7.476 2.565 1
1 264 . 19 1 1 S 30 30 GLU HA H 39 4.086 3.432 0.654 1
1 269 . 19 1 1 S 30 30 GLU CA C 39 39.629 58.324 -18.695 1
1 270 . 19 1 1 S 30 30 GLU CB C 39 45.835 28.465 17.370 1
1 272 . 19 1 1 S 30 30 GLU N N 39 114.478 116.556 -2.078 1
1 273 . 19 1 1 S 31 31 ILE H H 40 7.920 7.358 0.562 1
1 274 . 19 1 1 S 31 31 ILE HA H 40 4.266 3.776 0.490 1
1 284 . 19 1 1 S 31 31 ILE CA C 40 44.411 64.246 -19.835 1
1 285 . 19 1 1 S 31 31 ILE CB C 40 37.472 37.337 0.135 1
1 289 . 19 1 1 S 31 31 ILE N N 40 116.790 117.237 -0.447 1
1 290 . 19 1 1 S 32 32 TYR H H 41 7.426 7.264 0.162 1
1 291 . 19 1 1 S 32 32 TYR HA H 41 4.928 4.586 0.342 1
1 296 . 19 1 1 S 32 32 TYR CB C 41 39.324 38.699 0.625 1
1 297 . 19 1 1 S 32 32 TYR N N 41 119.565 118.494 1.071 1
1 298 . 19 1 1 S 33 33 LEU H H 42 6.749 6.912 -0.163 1
1 299 . 19 1 1 S 33 33 LEU HA H 42 5.266 4.820 0.446 1
1 309 . 19 1 1 S 33 33 LEU CA C 42 33.953 53.117 -19.164 1
1 310 . 19 1 1 S 33 33 LEU CB C 42 45.122 44.463 0.659 1
1 314 . 19 1 1 S 33 33 LEU N N 42 114.709 116.856 -2.147 1
1 315 . 19 1 1 S 34 34 THR H H 43 9.549 8.600 0.949 1
1 316 . 19 1 1 S 34 34 THR HA H 43 4.319 4.619 -0.300 1
1 322 . 19 1 1 S 34 34 THR CA C 43 42.615 61.746 -19.131 1
1 323 . 19 1 1 S 34 34 THR CB C 43 34.267 70.290 -36.023 1
1 325 . 19 1 1 S 34 34 THR N N 43 115.172 117.680 -2.508 1
1 326 . 19 1 1 S 35 35 ASP H H 44 9.173 9.215 -0.042 1
1 327 . 19 1 1 S 35 35 ASP HA H 44 4.361 4.496 -0.135 1
1 330 . 19 1 1 S 35 35 ASP CA C 44 39.549 57.067 -17.518 1
1 331 . 19 1 1 S 35 35 ASP CB C 44 39.585 39.929 -0.344 1
1 332 . 19 1 1 S 35 35 ASP N N 44 122.339 123.561 -1.222 1
1 333 . 19 1 1 S 36 36 GLU H H 45 8.781 8.116 0.665 1
1 334 . 19 1 1 S 36 36 GLU HA H 45 4.119 4.166 -0.047 1
1 339 . 19 1 1 S 36 36 GLU CA C 45 41.388 59.214 -17.826 1
1 340 . 19 1 1 S 36 36 GLU CB C 45 29.301 29.434 -0.133 1
1 342 . 19 1 1 S 36 36 GLU N N 45 118.640 120.372 -1.732 1
1 343 . 19 1 1 S 37 37 ASP H H 46 7.864 8.080 -0.216 1
1 344 . 19 1 1 S 37 37 ASP HA H 46 4.726 4.457 0.269 1
1 347 . 19 1 1 S 37 37 ASP CA C 46 38.055 57.228 -19.173 1
1 348 . 19 1 1 S 37 37 ASP CB C 46 41.567 40.827 0.740 1
1 349 . 19 1 1 S 37 37 ASP N N 46 121.646 120.548 1.098 1
1 350 . 19 1 1 S 38 38 PHE H H 47 9.196 9.179 0.017 1
1 351 . 19 1 1 S 38 38 PHE HA H 47 3.753 4.174 -0.421 1
1 357 . 19 1 1 S 38 38 PHE CA C 47 43.221 61.418 -18.197 1
1 358 . 19 1 1 S 38 38 PHE CB C 47 40.280 38.843 1.437 1
1 359 . 19 1 1 S 38 38 PHE N N 47 122.802 119.422 3.380 1
1 360 . 19 1 1 S 39 39 GLU H H 48 8.496 9.520 -1.024 1
1 361 . 19 1 1 S 39 39 GLU HA H 48 4.413 4.071 0.342 1
1 365 . 19 1 1 S 39 39 GLU CA C 48 40.140 59.393 -19.253 1
1 366 . 19 1 1 S 39 39 GLU CB C 48 29.498 29.131 0.367 1
1 368 . 19 1 1 S 39 39 GLU N N 48 118.177 117.672 0.505 1
1 369 . 19 1 1 S 40 40 PHE H H 49 7.898 8.214 -0.316 1
1 370 . 19 1 1 S 40 40 PHE HA H 49 4.320 4.225 0.095 1
1 376 . 19 1 1 S 40 40 PHE CA C 49 41.713 60.850 -19.137 1
1 377 . 19 1 1 S 40 40 PHE CB C 49 39.847 39.135 0.712 1
1 378 . 19 1 1 S 40 40 PHE N N 49 119.565 121.595 -2.030 1
1 379 . 19 1 1 S 41 41 ALA H H 50 8.637 8.229 0.408 1
1 380 . 19 1 1 S 41 41 ALA HA H 50 3.947 4.279 -0.332 1
1 384 . 19 1 1 S 41 41 ALA CA C 50 35.451 55.001 -19.550 1
1 385 . 19 1 1 S 41 41 ALA CB C 50 39.091 19.375 19.716 1
1 386 . 19 1 1 S 41 41 ALA N N 50 119.565 121.713 -2.148 1
1 387 . 19 1 1 S 42 42 LEU H H 51 8.275 7.976 0.299 1
1 388 . 19 1 1 S 42 42 LEU HA H 51 4.142 4.584 -0.442 1
1 397 . 19 1 1 S 42 42 LEU CA C 51 35.946 54.403 -18.457 1
1 398 . 19 1 1 S 42 42 LEU CB C 51 41.238 42.872 -1.634 1
1 402 . 19 1 1 S 42 42 LEU N N 51 113.553 115.342 -1.789 1
1 403 . 19 1 1 S 43 43 ASP H H 52 7.841 7.996 -0.155 1
1 404 . 19 1 1 S 43 43 ASP HA H 52 4.483 4.578 -0.095 1
1 407 . 19 1 1 S 43 43 ASP CA C 52 36.572 55.473 -18.901 1
1 408 . 19 1 1 S 43 43 ASP CB C 52 39.869 39.425 0.444 1
1 409 . 19 1 1 S 43 43 ASP N N 52 115.865 117.016 -1.151 1
1 410 . 19 1 1 S 44 44 MET H H 53 7.424 7.675 -0.251 1
1 411 . 19 1 1 S 44 44 MET HA H 53 4.753 4.642 0.111 1
1 419 . 19 1 1 S 44 44 MET CA C 53 36.030 53.711 -17.681 1
1 420 . 19 1 1 S 44 44 MET CB C 53 34.947 34.069 0.878 1
1 422 . 19 1 1 S 44 44 MET N N 53 111.703 117.352 -5.649 1
1 423 . 19 1 1 S 45 45 THR H H 54 8.372 7.828 0.544 1
1 424 . 19 1 1 S 45 45 THR HA H 54 4.526 4.471 0.055 1
1 429 . 19 1 1 S 45 45 THR CA C 54 41.951 58.795 -16.844 1
1 430 . 19 1 1 S 45 45 THR CB C 54 33.933 71.603 -37.670 1
1 432 . 19 1 1 S 45 45 THR N N 54 107.079 110.607 -3.528 1
1 433 . 19 1 1 S 46 46 ARG H H 55 8.999 8.349 0.650 1
1 434 . 19 1 1 S 46 46 ARG HA H 55 3.469 3.530 -0.061 1
1 441 . 19 1 1 S 46 46 ARG CA C 55 41.154 58.992 -17.838 1
1 442 . 19 1 1 S 46 46 ARG CB C 55 29.806 29.877 -0.071 1
1 445 . 19 1 1 S 46 46 ARG N N 55 122.570 121.852 0.718 1
1 447 . 19 1 1 S 47 47 ASP H H 56 8.199 7.963 0.236 1
1 448 . 19 1 1 S 47 47 ASP HA H 56 4.334 4.407 -0.073 1
1 451 . 19 1 1 S 47 47 ASP CB C 56 40.724 41.091 -0.367 1
1 452 . 19 1 1 S 47 47 ASP N N 56 116.559 117.368 -0.809 1
1 453 . 19 1 1 S 48 48 GLU H H 57 7.547 7.752 -0.205 1
1 454 . 19 1 1 S 48 48 GLU HA H 57 3.920 4.099 -0.179 1
1 458 . 19 1 1 S 48 48 GLU CA C 57 40.418 58.267 -17.849 1
1 459 . 19 1 1 S 48 48 GLU CB C 57 29.932 30.141 -0.209 1
1 461 . 19 1 1 S 48 48 GLU N N 57 120.721 119.334 1.387 1
1 462 . 19 1 1 S 49 49 TYR H H 58 8.535 8.065 0.470 1
1 463 . 19 1 1 S 49 49 TYR HA H 58 4.181 4.243 -0.062 1
1 468 . 19 1 1 S 49 49 TYR CA C 58 42.353 61.229 -18.876 1
1 469 . 19 1 1 S 49 49 TYR CB C 58 39.530 37.227 2.303 1
1 470 . 19 1 1 S 49 49 TYR N N 58 122.570 119.599 2.971 1
1 471 . 19 1 1 S 50 50 ASN H H 59 8.869 8.483 0.386 1
1 472 . 19 1 1 S 50 50 ASN HA H 59 4.293 4.534 -0.241 1
1 476 . 19 1 1 S 50 50 ASN CA C 59 35.728 56.079 -20.351 1
1 477 . 19 1 1 S 50 50 ASN CB C 59 38.117 38.402 -0.285 1
1 478 . 19 1 1 S 50 50 ASN N N 59 117.484 117.469 0.015 1
1 480 . 19 1 1 S 51 51 ALA H H 60 7.146 7.414 -0.268 1
1 481 . 19 1 1 S 51 51 ALA HA H 60 4.342 4.493 -0.151 1
1 485 . 19 1 1 S 51 51 ALA CA C 60 33.070 52.420 -19.350 1
1 486 . 19 1 1 S 51 51 ALA CB C 60 38.063 21.118 16.945 1
1 487 . 19 1 1 S 51 51 ALA N N 60 120.027 119.913 0.114 1
1 488 . 19 1 1 S 52 52 LEU H H 61 7.396 7.258 0.138 1
1 489 . 19 1 1 S 52 52 LEU HA H 61 4.338 4.438 -0.100 1
1 499 . 19 1 1 S 52 52 LEU CA C 61 33.941 53.803 -19.862 1
1 500 . 19 1 1 S 52 52 LEU CB C 61 42.540 41.382 1.158 1
1 504 . 19 1 1 S 52 52 LEU N N 61 121.183 122.178 -0.995 1
1 505 . 19 1 1 S 53 53 PRO HA H 62 4.381 4.520 -0.139 1
1 512 . 19 1 1 S 53 53 PRO CA C 62 43.181 63.162 -19.981 1
1 513 . 19 1 1 S 53 53 PRO CB C 62 32.503 32.574 -0.071 1
1 516 . 19 1 1 S 54 54 ALA H H 63 8.847 8.643 0.204 1
1 517 . 19 1 1 S 54 54 ALA HA H 63 3.953 4.016 -0.063 1
1 521 . 19 1 1 S 54 54 ALA CA C 63 36.779 54.294 -17.515 1
1 522 . 19 1 1 S 54 54 ALA CB C 63 36.769 18.599 18.170 1
1 523 . 19 1 1 S 54 54 ALA N N 63 126.270 125.800 0.470 1
1 524 . 19 1 1 S 55 55 TRP H H 64 7.875 7.993 -0.118 1
1 525 . 19 1 1 S 55 55 TRP HA H 64 4.378 4.361 0.017 1
1 534 . 19 1 1 S 55 55 TRP CA C 64 39.808 60.023 -20.215 1
1 535 . 19 1 1 S 55 55 TRP CB C 64 45.794 29.133 16.661 1
1 536 . 19 1 1 S 55 55 TRP N N 64 113.553 119.939 -6.386 1
1 538 . 19 1 1 S 56 56 LYS H H 65 6.197 7.739 -1.542 1
1 539 . 19 1 1 S 56 56 LYS HA H 65 3.631 2.498 1.133 1
1 547 . 19 1 1 S 56 56 LYS CA C 65 39.976 58.876 -18.900 1
1 548 . 19 1 1 S 56 56 LYS CB C 65 32.615 31.302 1.313 1
1 551 . 19 1 1 S 56 56 LYS N N 65 122.802 121.615 1.187 1
1 552 . 19 1 1 S 57 57 GLN H H 66 7.521 7.872 -0.351 1
1 553 . 19 1 1 S 57 57 GLN HA H 66 3.585 3.364 0.221 1
1 560 . 19 1 1 S 57 57 GLN CA C 66 40.775 58.030 -17.255 1
1 561 . 19 1 1 S 57 57 GLN CB C 66 46.154 27.600 18.554 1
1 563 . 19 1 1 S 57 57 GLN N N 66 120.480 117.716 2.764 1
1 565 . 19 1 1 S 58 58 VAL H H 67 7.775 7.518 0.257 1
1 566 . 19 1 1 S 58 58 VAL HA H 67 3.197 3.459 -0.262 1
1 574 . 19 1 1 S 58 58 VAL CA C 67 29.564 64.768 -35.204 1
1 575 . 19 1 1 S 58 58 VAL CB C 67 31.723 31.000 0.723 1
1 578 . 19 1 1 S 58 58 VAL N N 67 117.021 115.446 1.575 1
1 579 . 19 1 1 S 59 59 ASN H H 68 7.497 9.095 -1.598 1
1 580 . 19 1 1 S 59 59 ASN HA H 68 4.310 4.413 -0.103 1
1 584 . 19 1 1 S 59 59 ASN CA C 68 37.310 56.302 -18.992 1
1 585 . 19 1 1 S 59 59 ASN CB C 68 37.866 38.517 -0.651 1
1 586 . 19 1 1 S 59 59 ASN N N 68 118.177 119.227 -1.050 1
1 588 . 19 1 1 S 60 60 LEU H H 69 8.144 7.449 0.695 1
1 589 . 19 1 1 S 60 60 LEU HA H 69 4.226 4.202 0.024 1
1 599 . 19 1 1 S 60 60 LEU CA C 69 39.078 56.983 -17.905 1
1 600 . 19 1 1 S 60 60 LEU CB C 69 42.244 42.154 0.090 1
1 603 . 19 1 1 S 60 60 LEU N N 69 122.570 119.744 2.826 1
1 604 . 19 1 1 S 61 61 LYS H H 70 8.190 7.784 0.406 1
1 605 . 19 1 1 S 61 61 LYS HA H 70 3.610 4.088 -0.478 1
1 611 . 19 1 1 S 61 61 LYS CA C 70 43.383 59.845 -16.462 1
1 612 . 19 1 1 S 61 61 LYS CB C 70 32.375 32.305 0.070 1
1 614 . 19 1 1 S 61 61 LYS N N 70 116.790 118.607 -1.817 1
1 615 . 19 1 1 S 62 62 LYS H H 71 8.863 8.938 -0.075 1
1 616 . 19 1 1 S 62 62 LYS HA H 71 4.121 4.026 0.095 1
1 623 . 19 1 1 S 62 62 LYS CA C 71 41.331 59.478 -18.147 1
1 624 . 19 1 1 S 62 62 LYS CB C 71 32.973 32.286 0.687 1
1 628 . 19 1 1 S 62 62 LYS N N 71 119.102 119.849 -0.747 1
1 629 . 19 1 1 S 63 63 ALA H H 72 7.734 7.857 -0.123 1
1 630 . 19 1 1 S 63 63 ALA HA H 72 4.211 4.066 0.145 1
1 634 . 19 1 1 S 63 63 ALA CA C 72 35.710 54.827 -19.117 1
1 635 . 19 1 1 S 63 63 ALA CB C 72 37.243 18.363 18.880 1
1 636 . 19 1 1 S 63 63 ALA N N 72 121.414 122.078 -0.664 1
1 637 . 19 1 1 S 64 64 LYS H H 73 7.546 7.307 0.239 1
1 638 . 19 1 1 S 64 64 LYS HA H 73 4.468 4.371 0.097 1
1 644 . 19 1 1 S 64 64 LYS CA C 73 34.628 56.316 -21.688 1
1 645 . 19 1 1 S 64 64 LYS CB C 73 32.588 33.471 -0.883 1
1 646 . 19 1 1 S 64 64 LYS N N 73 114.016 116.062 -2.046 1
1 647 . 19 1 1 S 65 65 GLY H H 74 7.508 8.259 -0.751 1
1 648 . 19 1 1 S 65 65 GLY HA2 H 74 4.260 4.069 0.191 1
1 649 . 19 1 1 S 65 65 GLY HA3 H 74 4.012 4.070 -0.058 1
1 650 . 19 1 1 S 65 65 GLY CA C 74 46.235 45.476 0.759 1
1 651 . 19 1 1 S 65 65 GLY N N 74 105.692 107.543 -1.851 1
1 652 . 19 1 1 S 66 66 LEU H H 75 8.400 8.846 -0.446 1
1 653 . 19 1 1 S 66 66 LEU HA H 75 4.519 4.442 0.077 1
1 663 . 19 1 1 S 66 66 LEU CA C 75 34.331 56.723 -22.392 1
1 664 . 19 1 1 S 66 66 LEU CB C 75 42.886 42.139 0.747 1
1 668 . 19 1 1 S 66 66 LEU N N 75 120.952 118.850 2.102 1
1 1 . 20 1 1 S 6 6 CYS HA H 15 4.540 5.361 -0.821 1
1 4 . 20 1 1 S 6 6 CYS CB C 15 28.556 31.048 -2.492 1
1 5 . 20 1 1 S 7 7 LYS HA H 16 4.376 4.916 -0.540 1
1 8 . 20 1 1 S 7 7 LYS CA C 16 37.775 55.522 -17.747 1
1 9 . 20 1 1 S 7 7 LYS CB C 16 33.150 34.002 -0.852 1
1 10 . 20 1 1 S 8 8 THR H H 17 8.305 9.109 -0.804 1
1 11 . 20 1 1 S 8 8 THR HA H 17 4.320 4.932 -0.612 1
1 16 . 20 1 1 S 8 8 THR CA C 17 44.017 61.865 -17.848 1
1 17 . 20 1 1 S 8 8 THR CB C 17 31.886 71.612 -39.726 1
1 19 . 20 1 1 S 8 8 THR N N 17 115.400 119.091 -3.691 1
1 20 . 20 1 1 S 9 9 ILE H H 18 7.450 9.006 -1.556 1
1 21 . 20 1 1 S 9 9 ILE HA H 18 5.077 4.582 0.495 1
1 31 . 20 1 1 S 9 9 ILE CA C 18 38.964 60.429 -21.465 1
1 32 . 20 1 1 S 9 9 ILE CB C 18 40.553 38.544 2.009 1
1 36 . 20 1 1 S 9 9 ILE N N 18 122.802 127.961 -5.159 1
1 37 . 20 1 1 S 10 10 TYR H H 19 9.151 8.146 1.005 1
1 38 . 20 1 1 S 10 10 TYR HA H 19 4.927 4.963 -0.036 1
1 43 . 20 1 1 S 10 10 TYR CB C 19 41.335 39.268 2.067 1
1 44 . 20 1 1 S 10 10 TYR N N 19 124.420 126.819 -2.399 1
1 45 . 20 1 1 S 11 11 PRO HA H 20 4.496 4.547 -0.051 1
1 52 . 20 1 1 S 11 11 PRO CA C 20 43.576 63.225 -19.649 1
1 53 . 20 1 1 S 11 11 PRO CB C 20 32.801 32.006 0.795 1
1 55 . 20 1 1 S 12 12 LEU H H 21 7.790 8.586 -0.796 1
1 56 . 20 1 1 S 12 12 LEU HA H 21 3.896 4.037 -0.141 1
1 66 . 20 1 1 S 12 12 LEU CA C 21 39.620 57.858 -18.238 1
1 67 . 20 1 1 S 12 12 LEU CB C 21 42.245 41.724 0.521 1
1 71 . 20 1 1 S 12 12 LEU N N 21 123.727 125.165 -1.438 1
1 72 . 20 1 1 S 13 13 ALA H H 22 8.995 8.246 0.749 1
1 73 . 20 1 1 S 13 13 ALA HA H 22 3.943 4.033 -0.090 1
1 77 . 20 1 1 S 13 13 ALA CA C 22 36.717 55.332 -18.615 1
1 78 . 20 1 1 S 13 13 ALA CB C 22 37.456 18.029 19.427 1
1 79 . 20 1 1 S 13 13 ALA N N 22 116.790 121.844 -5.054 1
1 80 . 20 1 1 S 14 14 ASP H H 23 7.393 8.324 -0.931 1
1 81 . 20 1 1 S 14 14 ASP HA H 23 4.387 4.424 -0.037 1
1 84 . 20 1 1 S 14 14 ASP CB C 23 40.902 40.471 0.431 1
1 85 . 20 1 1 S 14 14 ASP N N 23 115.403 119.899 -4.496 1
1 86 . 20 1 1 S 15 15 LEU H H 24 7.452 7.389 0.063 1
1 87 . 20 1 1 S 15 15 LEU HA H 24 4.281 4.582 -0.301 1
1 97 . 20 1 1 S 15 15 LEU CA C 24 35.761 55.076 -19.315 1
1 98 . 20 1 1 S 15 15 LEU CB C 24 41.179 42.710 -1.531 1
1 101 . 20 1 1 S 15 15 LEU N N 24 116.328 114.011 2.317 1
1 102 . 20 1 1 S 16 16 LEU H H 25 7.396 7.539 -0.143 1
1 103 . 20 1 1 S 16 16 LEU HA H 25 4.350 4.525 -0.175 1
1 112 . 20 1 1 S 16 16 LEU CA C 25 36.365 54.519 -18.154 1
1 113 . 20 1 1 S 16 16 LEU CB C 25 42.493 42.940 -0.447 1
1 116 . 20 1 1 S 16 16 LEU N N 25 116.790 120.106 -3.316 1
1 117 . 20 1 1 S 17 17 ALA H H 26 6.894 7.504 -0.610 1
1 118 . 20 1 1 S 17 17 ALA HA H 26 4.349 4.590 -0.241 1
1 122 . 20 1 1 S 17 17 ALA CB C 26 39.296 19.321 19.975 1
1 123 . 20 1 1 S 17 17 ALA N N 26 122.802 120.965 1.837 1
1 124 . 20 1 1 S 18 18 ARG H H 27 8.019 7.689 0.330 1
1 125 . 20 1 1 S 18 18 ARG HA H 27 4.429 4.909 -0.480 1
1 132 . 20 1 1 S 18 18 ARG CA C 27 32.436 53.466 -21.030 1
1 133 . 20 1 1 S 18 18 ARG CB C 27 31.405 33.776 -2.371 1
1 136 . 20 1 1 S 18 18 ARG N N 27 116.328 117.668 -1.340 1
1 137 . 20 1 1 S 19 19 PRO HA H 28 4.483 4.506 -0.023 1
1 144 . 20 1 1 S 19 19 PRO CA C 28 43.719 62.252 -18.533 1
1 145 . 20 1 1 S 19 19 PRO CB C 28 35.007 29.236 5.771 1
1 148 . 20 1 1 S 20 20 LEU H H 29 8.634 8.711 -0.077 1
1 149 . 20 1 1 S 20 20 LEU HA H 29 4.286 4.583 -0.297 1
1 159 . 20 1 1 S 20 20 LEU CA C 29 34.887 53.114 -18.227 1
1 160 . 20 1 1 S 20 20 LEU CB C 29 42.067 41.821 0.246 1
1 163 . 20 1 1 S 20 20 LEU N N 29 123.033 119.595 3.438 1
1 164 . 20 1 1 S 21 21 PRO HA H 30 4.273 4.706 -0.433 1
1 171 . 20 1 1 S 21 21 PRO CA C 30 43.649 62.110 -18.461 1
1 172 . 20 1 1 S 21 21 PRO CB C 30 31.638 33.086 -1.448 1
1 175 . 20 1 1 S 22 22 GLU H H 31 8.522 8.786 -0.264 1
1 176 . 20 1 1 S 22 22 GLU HA H 31 3.988 4.402 -0.414 1
1 180 . 20 1 1 S 22 22 GLU CA C 31 39.044 56.912 -17.868 1
1 181 . 20 1 1 S 22 22 GLU CB C 31 29.490 29.855 -0.365 1
1 183 . 20 1 1 S 22 22 GLU N N 31 123.264 121.158 2.106 1
1 184 . 20 1 1 S 23 23 GLY H H 32 8.783 8.411 0.372 1
1 185 . 20 1 1 S 23 23 GLY HA2 H 32 4.177 3.860 0.317 1
1 186 . 20 1 1 S 23 23 GLY HA3 H 32 3.697 4.051 -0.354 1
1 187 . 20 1 1 S 23 23 GLY CA C 32 45.506 47.076 -1.570 1
1 188 . 20 1 1 S 23 23 GLY N N 32 111.472 108.106 3.366 1
1 189 . 20 1 1 S 24 24 VAL H H 33 6.850 7.506 -0.656 1
1 190 . 20 1 1 S 24 24 VAL HA H 33 3.805 3.745 0.060 1
1 198 . 20 1 1 S 24 24 VAL CA C 33 42.632 61.353 -18.721 1
1 199 . 20 1 1 S 24 24 VAL CB C 33 32.321 32.359 -0.038 1
1 202 . 20 1 1 S 24 24 VAL N N 33 117.021 118.695 -1.674 1
1 203 . 20 1 1 S 25 25 ASP H H 34 8.276 8.748 -0.472 1
1 206 . 20 1 1 S 25 25 ASP CB C 34 41.766 42.686 -0.920 1
1 207 . 20 1 1 S 25 25 ASP N N 34 126.270 121.809 4.461 1
1 208 . 20 1 1 S 26 26 PRO HA H 35 4.082 4.401 -0.319 1
1 215 . 20 1 1 S 26 26 PRO CA C 35 44.876 64.302 -19.426 1
1 216 . 20 1 1 S 26 26 PRO CB C 35 32.282 32.049 0.233 1
1 219 . 20 1 1 S 27 27 LEU H H 36 8.583 8.298 0.285 1
1 220 . 20 1 1 S 27 27 LEU HA H 36 4.361 4.638 -0.277 1
1 230 . 20 1 1 S 27 27 LEU CA C 36 36.955 55.895 -18.940 1
1 231 . 20 1 1 S 27 27 LEU CB C 36 41.466 41.680 -0.214 1
1 235 . 20 1 1 S 27 27 LEU N N 36 118.640 115.441 3.199 1
1 236 . 20 1 1 S 28 28 LYS H H 37 7.838 7.648 0.190 1
1 237 . 20 1 1 S 28 28 LYS HA H 37 5.037 4.497 0.540 1
1 243 . 20 1 1 S 28 28 LYS CA C 37 35.415 55.496 -20.081 1
1 244 . 20 1 1 S 28 28 LYS CB C 37 33.967 33.789 0.178 1
1 247 . 20 1 1 S 28 28 LYS N N 37 120.258 116.718 3.540 1
1 248 . 20 1 1 S 29 29 LEU H H 38 8.203 8.999 -0.796 1
1 249 . 20 1 1 S 29 29 LEU HA H 38 4.266 4.052 0.214 1
1 259 . 20 1 1 S 29 29 LEU CA C 38 39.317 57.595 -18.278 1
1 262 . 20 1 1 S 29 29 LEU N N 38 117.021 125.608 -8.587 1
1 263 . 20 1 1 S 30 30 GLU H H 39 10.041 8.361 1.680 1
1 264 . 20 1 1 S 30 30 GLU HA H 39 4.086 3.646 0.440 1
1 269 . 20 1 1 S 30 30 GLU CA C 39 39.629 58.513 -18.884 1
1 270 . 20 1 1 S 30 30 GLU CB C 39 45.835 28.889 16.946 1
1 272 . 20 1 1 S 30 30 GLU N N 39 114.478 116.196 -1.718 1
1 273 . 20 1 1 S 31 31 ILE H H 40 7.920 7.136 0.784 1
1 274 . 20 1 1 S 31 31 ILE HA H 40 4.266 3.887 0.379 1
1 284 . 20 1 1 S 31 31 ILE CA C 40 44.411 64.374 -19.963 1
1 285 . 20 1 1 S 31 31 ILE CB C 40 37.472 37.476 -0.004 1
1 289 . 20 1 1 S 31 31 ILE N N 40 116.790 117.508 -0.718 1
1 290 . 20 1 1 S 32 32 TYR H H 41 7.426 7.621 -0.195 1
1 291 . 20 1 1 S 32 32 TYR HA H 41 4.928 4.574 0.354 1
1 296 . 20 1 1 S 32 32 TYR CB C 41 39.324 38.513 0.811 1
1 297 . 20 1 1 S 32 32 TYR N N 41 119.565 118.596 0.969 1
1 298 . 20 1 1 S 33 33 LEU H H 42 6.749 7.509 -0.760 1
1 299 . 20 1 1 S 33 33 LEU HA H 42 5.266 4.812 0.454 1
1 309 . 20 1 1 S 33 33 LEU CA C 42 33.953 53.277 -19.324 1
1 310 . 20 1 1 S 33 33 LEU CB C 42 45.122 44.368 0.754 1
1 314 . 20 1 1 S 33 33 LEU N N 42 114.709 117.045 -2.336 1
1 315 . 20 1 1 S 34 34 THR H H 43 9.549 8.693 0.856 1
1 316 . 20 1 1 S 34 34 THR HA H 43 4.319 4.623 -0.304 1
1 322 . 20 1 1 S 34 34 THR CA C 43 42.615 61.868 -19.253 1
1 323 . 20 1 1 S 34 34 THR CB C 43 34.267 70.110 -35.843 1
1 325 . 20 1 1 S 34 34 THR N N 43 115.172 118.411 -3.239 1
1 326 . 20 1 1 S 35 35 ASP H H 44 9.173 9.112 0.061 1
1 327 . 20 1 1 S 35 35 ASP HA H 44 4.361 4.447 -0.086 1
1 330 . 20 1 1 S 35 35 ASP CA C 44 39.549 56.909 -17.360 1
1 331 . 20 1 1 S 35 35 ASP CB C 44 39.585 39.771 -0.186 1
1 332 . 20 1 1 S 35 35 ASP N N 44 122.339 123.711 -1.372 1
1 333 . 20 1 1 S 36 36 GLU H H 45 8.781 8.326 0.455 1
1 334 . 20 1 1 S 36 36 GLU HA H 45 4.119 4.128 -0.009 1
1 339 . 20 1 1 S 36 36 GLU CA C 45 41.388 59.148 -17.760 1
1 340 . 20 1 1 S 36 36 GLU CB C 45 29.301 29.611 -0.310 1
1 342 . 20 1 1 S 36 36 GLU N N 45 118.640 120.398 -1.758 1
1 343 . 20 1 1 S 37 37 ASP H H 46 7.864 7.990 -0.126 1
1 344 . 20 1 1 S 37 37 ASP HA H 46 4.726 4.433 0.293 1
1 347 . 20 1 1 S 37 37 ASP CA C 46 38.055 57.200 -19.145 1
1 348 . 20 1 1 S 37 37 ASP CB C 46 41.567 40.770 0.797 1
1 349 . 20 1 1 S 37 37 ASP N N 46 121.646 120.260 1.386 1
1 350 . 20 1 1 S 38 38 PHE H H 47 9.196 9.067 0.129 1
1 351 . 20 1 1 S 38 38 PHE HA H 47 3.753 4.043 -0.290 1
1 357 . 20 1 1 S 38 38 PHE CA C 47 43.221 61.155 -17.934 1
1 358 . 20 1 1 S 38 38 PHE CB C 47 40.280 38.439 1.841 1
1 359 . 20 1 1 S 38 38 PHE N N 47 122.802 118.530 4.272 1
1 360 . 20 1 1 S 39 39 GLU H H 48 8.496 9.396 -0.900 1
1 361 . 20 1 1 S 39 39 GLU HA H 48 4.413 3.991 0.422 1
1 365 . 20 1 1 S 39 39 GLU CA C 48 40.140 59.643 -19.503 1
1 366 . 20 1 1 S 39 39 GLU CB C 48 29.498 29.495 0.003 1
1 368 . 20 1 1 S 39 39 GLU N N 48 118.177 118.606 -0.429 1
1 369 . 20 1 1 S 40 40 PHE H H 49 7.898 7.892 0.006 1
1 370 . 20 1 1 S 40 40 PHE HA H 49 4.320 4.290 0.030 1
1 376 . 20 1 1 S 40 40 PHE CA C 49 41.713 60.182 -18.469 1
1 377 . 20 1 1 S 40 40 PHE CB C 49 39.847 39.258 0.589 1
1 378 . 20 1 1 S 40 40 PHE N N 49 119.565 121.543 -1.978 1
1 379 . 20 1 1 S 41 41 ALA H H 50 8.637 8.177 0.460 1
1 380 . 20 1 1 S 41 41 ALA HA H 50 3.947 4.280 -0.333 1
1 384 . 20 1 1 S 41 41 ALA CA C 50 35.451 52.911 -17.460 1
1 385 . 20 1 1 S 41 41 ALA CB C 50 39.091 19.311 19.780 1
1 386 . 20 1 1 S 41 41 ALA N N 50 119.565 121.448 -1.883 1
1 387 . 20 1 1 S 42 42 LEU H H 51 8.275 8.001 0.274 1
1 388 . 20 1 1 S 42 42 LEU HA H 51 4.142 4.464 -0.322 1
1 397 . 20 1 1 S 42 42 LEU CA C 51 35.946 54.225 -18.279 1
1 398 . 20 1 1 S 42 42 LEU CB C 51 41.238 43.747 -2.509 1
1 402 . 20 1 1 S 42 42 LEU N N 51 113.553 114.727 -1.174 1
1 403 . 20 1 1 S 43 43 ASP H H 52 7.841 8.129 -0.288 1
1 404 . 20 1 1 S 43 43 ASP HA H 52 4.483 4.634 -0.151 1
1 407 . 20 1 1 S 43 43 ASP CA C 52 36.572 55.414 -18.842 1
1 408 . 20 1 1 S 43 43 ASP CB C 52 39.869 39.405 0.464 1
1 409 . 20 1 1 S 43 43 ASP N N 52 115.865 117.385 -1.520 1
1 410 . 20 1 1 S 44 44 MET H H 53 7.424 7.085 0.339 1
1 411 . 20 1 1 S 44 44 MET HA H 53 4.753 4.846 -0.093 1
1 419 . 20 1 1 S 44 44 MET CA C 53 36.030 53.336 -17.306 1
1 420 . 20 1 1 S 44 44 MET CB C 53 34.947 35.037 -0.090 1
1 422 . 20 1 1 S 44 44 MET N N 53 111.703 117.306 -5.603 1
1 423 . 20 1 1 S 45 45 THR H H 54 8.372 8.036 0.336 1
1 424 . 20 1 1 S 45 45 THR HA H 54 4.526 4.648 -0.122 1
1 429 . 20 1 1 S 45 45 THR CA C 54 41.951 58.981 -17.030 1
1 430 . 20 1 1 S 45 45 THR CB C 54 33.933 71.678 -37.745 1
1 432 . 20 1 1 S 45 45 THR N N 54 107.079 110.437 -3.358 1
1 433 . 20 1 1 S 46 46 ARG H H 55 8.999 8.455 0.544 1
1 434 . 20 1 1 S 46 46 ARG HA H 55 3.469 3.219 0.250 1
1 441 . 20 1 1 S 46 46 ARG CA C 55 41.154 58.783 -17.629 1
1 442 . 20 1 1 S 46 46 ARG CB C 55 29.806 29.712 0.094 1
1 445 . 20 1 1 S 46 46 ARG N N 55 122.570 122.019 0.551 1
1 447 . 20 1 1 S 47 47 ASP H H 56 8.199 8.213 -0.014 1
1 448 . 20 1 1 S 47 47 ASP HA H 56 4.334 4.368 -0.034 1
1 451 . 20 1 1 S 47 47 ASP CB C 56 40.724 40.069 0.655 1
1 452 . 20 1 1 S 47 47 ASP N N 56 116.559 116.189 0.370 1
1 453 . 20 1 1 S 48 48 GLU H H 57 7.547 7.900 -0.353 1
1 454 . 20 1 1 S 48 48 GLU HA H 57 3.920 4.181 -0.261 1
1 458 . 20 1 1 S 48 48 GLU CA C 57 40.418 58.373 -17.955 1
1 459 . 20 1 1 S 48 48 GLU CB C 57 29.932 30.369 -0.437 1
1 461 . 20 1 1 S 48 48 GLU N N 57 120.721 119.691 1.030 1
1 462 . 20 1 1 S 49 49 TYR H H 58 8.535 8.230 0.305 1
1 463 . 20 1 1 S 49 49 TYR HA H 58 4.181 4.209 -0.028 1
1 468 . 20 1 1 S 49 49 TYR CA C 58 42.353 61.393 -19.040 1
1 469 . 20 1 1 S 49 49 TYR CB C 58 39.530 37.452 2.078 1
1 470 . 20 1 1 S 49 49 TYR N N 58 122.570 119.861 2.709 1
1 471 . 20 1 1 S 50 50 ASN H H 59 8.869 8.370 0.499 1
1 472 . 20 1 1 S 50 50 ASN HA H 59 4.293 4.492 -0.199 1
1 476 . 20 1 1 S 50 50 ASN CA C 59 35.728 55.888 -20.160 1
1 477 . 20 1 1 S 50 50 ASN CB C 59 38.117 38.310 -0.193 1
1 478 . 20 1 1 S 50 50 ASN N N 59 117.484 117.769 -0.285 1
1 480 . 20 1 1 S 51 51 ALA H H 60 7.146 7.717 -0.571 1
1 481 . 20 1 1 S 51 51 ALA HA H 60 4.342 4.426 -0.084 1
1 485 . 20 1 1 S 51 51 ALA CA C 60 33.070 52.283 -19.213 1
1 486 . 20 1 1 S 51 51 ALA CB C 60 38.063 20.732 17.331 1
1 487 . 20 1 1 S 51 51 ALA N N 60 120.027 120.244 -0.217 1
1 488 . 20 1 1 S 52 52 LEU H H 61 7.396 7.501 -0.105 1
1 489 . 20 1 1 S 52 52 LEU HA H 61 4.338 4.353 -0.015 1
1 499 . 20 1 1 S 52 52 LEU CA C 61 33.941 53.389 -19.448 1
1 500 . 20 1 1 S 52 52 LEU CB C 61 42.540 40.806 1.734 1
1 504 . 20 1 1 S 52 52 LEU N N 61 121.183 121.647 -0.464 1
1 505 . 20 1 1 S 53 53 PRO HA H 62 4.381 4.438 -0.057 1
1 512 . 20 1 1 S 53 53 PRO CA C 62 43.181 62.659 -19.478 1
1 513 . 20 1 1 S 53 53 PRO CB C 62 32.503 32.339 0.164 1
1 516 . 20 1 1 S 54 54 ALA H H 63 8.847 8.530 0.317 1
1 517 . 20 1 1 S 54 54 ALA HA H 63 3.953 3.982 -0.029 1
1 521 . 20 1 1 S 54 54 ALA CA C 63 36.779 53.770 -16.991 1
1 522 . 20 1 1 S 54 54 ALA CB C 63 36.769 18.734 18.035 1
1 523 . 20 1 1 S 54 54 ALA N N 63 126.270 124.860 1.410 1
1 524 . 20 1 1 S 55 55 TRP H H 64 7.875 7.794 0.081 1
1 525 . 20 1 1 S 55 55 TRP HA H 64 4.378 4.392 -0.014 1
1 534 . 20 1 1 S 55 55 TRP CA C 64 39.808 59.954 -20.146 1
1 535 . 20 1 1 S 55 55 TRP CB C 64 45.794 29.318 16.476 1
1 536 . 20 1 1 S 55 55 TRP N N 64 113.553 120.084 -6.531 1
1 538 . 20 1 1 S 56 56 LYS H H 65 6.197 7.623 -1.426 1
1 539 . 20 1 1 S 56 56 LYS HA H 65 3.631 2.349 1.282 1
1 547 . 20 1 1 S 56 56 LYS CA C 65 39.976 58.903 -18.927 1
1 548 . 20 1 1 S 56 56 LYS CB C 65 32.615 31.599 1.016 1
1 551 . 20 1 1 S 56 56 LYS N N 65 122.802 121.827 0.975 1
1 552 . 20 1 1 S 57 57 GLN H H 66 7.521 7.339 0.182 1
1 553 . 20 1 1 S 57 57 GLN HA H 66 3.585 3.135 0.450 1
1 560 . 20 1 1 S 57 57 GLN CA C 66 40.775 57.972 -17.197 1
1 561 . 20 1 1 S 57 57 GLN CB C 66 46.154 27.810 18.344 1
1 563 . 20 1 1 S 57 57 GLN N N 66 120.480 117.238 3.242 1
1 565 . 20 1 1 S 58 58 VAL H H 67 7.775 7.880 -0.105 1
1 566 . 20 1 1 S 58 58 VAL HA H 67 3.197 3.722 -0.525 1
1 574 . 20 1 1 S 58 58 VAL CA C 67 29.564 66.141 -36.577 1
1 575 . 20 1 1 S 58 58 VAL CB C 67 31.723 31.750 -0.027 1
1 578 . 20 1 1 S 58 58 VAL N N 67 117.021 121.027 -4.006 1
1 579 . 20 1 1 S 59 59 ASN H H 68 7.497 9.183 -1.686 1
1 580 . 20 1 1 S 59 59 ASN HA H 68 4.310 4.532 -0.222 1
1 584 . 20 1 1 S 59 59 ASN CA C 68 37.310 56.580 -19.270 1
1 585 . 20 1 1 S 59 59 ASN CB C 68 37.866 38.579 -0.713 1
1 586 . 20 1 1 S 59 59 ASN N N 68 118.177 118.619 -0.442 1
1 588 . 20 1 1 S 60 60 LEU H H 69 8.144 7.801 0.343 1
1 589 . 20 1 1 S 60 60 LEU HA H 69 4.226 4.106 0.120 1
1 599 . 20 1 1 S 60 60 LEU CA C 69 39.078 57.681 -18.603 1
1 600 . 20 1 1 S 60 60 LEU CB C 69 42.244 41.353 0.891 1
1 603 . 20 1 1 S 60 60 LEU N N 69 122.570 120.113 2.457 1
1 604 . 20 1 1 S 61 61 LYS H H 70 8.190 8.225 -0.035 1
1 605 . 20 1 1 S 61 61 LYS HA H 70 3.610 3.961 -0.351 1
1 611 . 20 1 1 S 61 61 LYS CA C 70 43.383 59.932 -16.549 1
1 612 . 20 1 1 S 61 61 LYS CB C 70 32.375 32.399 -0.024 1
1 614 . 20 1 1 S 61 61 LYS N N 70 116.790 119.452 -2.662 1
1 615 . 20 1 1 S 62 62 LYS H H 71 8.863 8.951 -0.088 1
1 616 . 20 1 1 S 62 62 LYS HA H 71 4.121 4.129 -0.008 1
1 623 . 20 1 1 S 62 62 LYS CA C 71 41.331 59.411 -18.080 1
1 624 . 20 1 1 S 62 62 LYS CB C 71 32.973 32.276 0.697 1
1 628 . 20 1 1 S 62 62 LYS N N 71 119.102 119.324 -0.222 1
1 629 . 20 1 1 S 63 63 ALA H H 72 7.734 7.517 0.217 1
1 630 . 20 1 1 S 63 63 ALA HA H 72 4.211 4.103 0.108 1
1 634 . 20 1 1 S 63 63 ALA CA C 72 35.710 54.471 -18.761 1
1 635 . 20 1 1 S 63 63 ALA CB C 72 37.243 18.284 18.959 1
1 636 . 20 1 1 S 63 63 ALA N N 72 121.414 121.265 0.149 1
1 637 . 20 1 1 S 64 64 LYS H H 73 7.546 7.644 -0.098 1
1 638 . 20 1 1 S 64 64 LYS HA H 73 4.468 4.323 0.145 1
1 644 . 20 1 1 S 64 64 LYS CA C 73 34.628 56.243 -21.615 1
1 645 . 20 1 1 S 64 64 LYS CB C 73 32.588 33.175 -0.587 1
1 646 . 20 1 1 S 64 64 LYS N N 73 114.016 116.404 -2.388 1
1 647 . 20 1 1 S 65 65 GLY H H 74 7.508 7.890 -0.382 1
1 648 . 20 1 1 S 65 65 GLY HA2 H 74 4.260 4.051 0.209 1
1 649 . 20 1 1 S 65 65 GLY HA3 H 74 4.012 4.058 -0.046 1
1 650 . 20 1 1 S 65 65 GLY CA C 74 46.235 45.226 1.009 1
1 651 . 20 1 1 S 65 65 GLY N N 74 105.692 107.560 -1.868 1
1 652 . 20 1 1 S 66 66 LEU H H 75 8.400 7.809 0.591 1
1 653 . 20 1 1 S 66 66 LEU HA H 75 4.519 4.150 0.369 1
1 663 . 20 1 1 S 66 66 LEU CA C 75 34.331 56.865 -22.534 1
1 664 . 20 1 1 S 66 66 LEU CB C 75 42.886 42.456 0.430 1
1 668 . 20 1 1 S 66 66 LEU N N 75 120.952 120.677 0.275 1
1 1 . 21 1 1 S 6 6 CYS HA H 15 4.540 5.148 -0.608 1
1 4 . 21 1 1 S 6 6 CYS CB C 15 28.556 30.122 -1.566 1
1 5 . 21 1 1 S 7 7 LYS HA H 16 4.376 4.814 -0.438 1
1 8 . 21 1 1 S 7 7 LYS CA C 16 37.775 55.638 -17.863 1
1 9 . 21 1 1 S 7 7 LYS CB C 16 33.150 33.584 -0.434 1
1 10 . 21 1 1 S 8 8 THR H H 17 8.305 8.675 -0.370 1
1 11 . 21 1 1 S 8 8 THR HA H 17 4.320 4.813 -0.493 1
1 16 . 21 1 1 S 8 8 THR CA C 17 44.017 62.337 -18.320 1
1 17 . 21 1 1 S 8 8 THR CB C 17 31.886 69.470 -37.584 1
1 19 . 21 1 1 S 8 8 THR N N 17 115.400 119.637 -4.237 1
1 20 . 21 1 1 S 9 9 ILE H H 18 7.450 9.048 -1.598 1
1 21 . 21 1 1 S 9 9 ILE HA H 18 5.077 4.375 0.702 1
1 31 . 21 1 1 S 9 9 ILE CA C 18 38.964 60.345 -21.381 1
1 32 . 21 1 1 S 9 9 ILE CB C 18 40.553 38.655 1.898 1
1 36 . 21 1 1 S 9 9 ILE N N 18 122.802 128.528 -5.726 1
1 37 . 21 1 1 S 10 10 TYR H H 19 9.151 7.864 1.287 1
1 38 . 21 1 1 S 10 10 TYR HA H 19 4.927 4.901 0.026 1
1 43 . 21 1 1 S 10 10 TYR CB C 19 41.335 39.457 1.878 1
1 44 . 21 1 1 S 10 10 TYR N N 19 124.420 125.533 -1.113 1
1 45 . 21 1 1 S 11 11 PRO HA H 20 4.496 4.486 0.010 1
1 52 . 21 1 1 S 11 11 PRO CA C 20 43.576 63.237 -19.661 1
1 53 . 21 1 1 S 11 11 PRO CB C 20 32.801 32.469 0.332 1
1 55 . 21 1 1 S 12 12 LEU H H 21 7.790 8.569 -0.779 1
1 56 . 21 1 1 S 12 12 LEU HA H 21 3.896 3.960 -0.064 1
1 66 . 21 1 1 S 12 12 LEU CA C 21 39.620 57.962 -18.342 1
1 67 . 21 1 1 S 12 12 LEU CB C 21 42.245 41.628 0.617 1
1 71 . 21 1 1 S 12 12 LEU N N 21 123.727 124.104 -0.377 1
1 72 . 21 1 1 S 13 13 ALA H H 22 8.995 8.287 0.708 1
1 73 . 21 1 1 S 13 13 ALA HA H 22 3.943 4.077 -0.134 1
1 77 . 21 1 1 S 13 13 ALA CA C 22 36.717 55.650 -18.933 1
1 78 . 21 1 1 S 13 13 ALA CB C 22 37.456 18.081 19.375 1
1 79 . 21 1 1 S 13 13 ALA N N 22 116.790 121.598 -4.808 1
1 80 . 21 1 1 S 14 14 ASP H H 23 7.393 8.211 -0.818 1
1 81 . 21 1 1 S 14 14 ASP HA H 23 4.387 4.331 0.056 1
1 84 . 21 1 1 S 14 14 ASP CB C 23 40.902 40.327 0.575 1
1 85 . 21 1 1 S 14 14 ASP N N 23 115.403 119.016 -3.613 1
1 86 . 21 1 1 S 15 15 LEU H H 24 7.452 7.542 -0.090 1
1 87 . 21 1 1 S 15 15 LEU HA H 24 4.281 4.481 -0.200 1
1 97 . 21 1 1 S 15 15 LEU CA C 24 35.761 55.184 -19.423 1
1 98 . 21 1 1 S 15 15 LEU CB C 24 41.179 43.050 -1.871 1
1 101 . 21 1 1 S 15 15 LEU N N 24 116.328 113.905 2.423 1
1 102 . 21 1 1 S 16 16 LEU H H 25 7.396 8.381 -0.985 1
1 103 . 21 1 1 S 16 16 LEU HA H 25 4.350 4.146 0.204 1
1 112 . 21 1 1 S 16 16 LEU CA C 25 36.365 57.301 -20.936 1
1 113 . 21 1 1 S 16 16 LEU CB C 25 42.493 42.212 0.281 1
1 116 . 21 1 1 S 16 16 LEU N N 25 116.790 121.325 -4.535 1
1 117 . 21 1 1 S 17 17 ALA H H 26 6.894 6.955 -0.061 1
1 118 . 21 1 1 S 17 17 ALA HA H 26 4.349 4.552 -0.203 1
1 122 . 21 1 1 S 17 17 ALA CB C 26 39.296 19.219 20.077 1
1 123 . 21 1 1 S 17 17 ALA N N 26 122.802 119.712 3.090 1
1 124 . 21 1 1 S 18 18 ARG H H 27 8.019 7.783 0.236 1
1 125 . 21 1 1 S 18 18 ARG HA H 27 4.429 4.839 -0.410 1
1 132 . 21 1 1 S 18 18 ARG CA C 27 32.436 53.456 -21.020 1
1 133 . 21 1 1 S 18 18 ARG CB C 27 31.405 33.943 -2.538 1
1 136 . 21 1 1 S 18 18 ARG N N 27 116.328 118.638 -2.310 1
1 137 . 21 1 1 S 19 19 PRO HA H 28 4.483 4.348 0.135 1
1 144 . 21 1 1 S 19 19 PRO CA C 28 43.719 63.230 -19.511 1
1 145 . 21 1 1 S 19 19 PRO CB C 28 35.007 31.602 3.405 1
1 148 . 21 1 1 S 20 20 LEU H H 29 8.634 8.128 0.506 1
1 149 . 21 1 1 S 20 20 LEU HA H 29 4.286 4.620 -0.334 1
1 159 . 21 1 1 S 20 20 LEU CA C 29 34.887 52.981 -18.094 1
1 160 . 21 1 1 S 20 20 LEU CB C 29 42.067 41.852 0.215 1
1 163 . 21 1 1 S 20 20 LEU N N 29 123.033 120.346 2.687 1
1 164 . 21 1 1 S 21 21 PRO HA H 30 4.273 4.498 -0.225 1
1 171 . 21 1 1 S 21 21 PRO CA C 30 43.649 62.186 -18.537 1
1 172 . 21 1 1 S 21 21 PRO CB C 30 31.638 32.976 -1.338 1
1 175 . 21 1 1 S 22 22 GLU H H 31 8.522 8.812 -0.290 1
1 176 . 21 1 1 S 22 22 GLU HA H 31 3.988 4.261 -0.273 1
1 180 . 21 1 1 S 22 22 GLU CA C 31 39.044 58.990 -19.946 1
1 181 . 21 1 1 S 22 22 GLU CB C 31 29.490 29.851 -0.361 1
1 183 . 21 1 1 S 22 22 GLU N N 31 123.264 121.074 2.190 1
1 184 . 21 1 1 S 23 23 GLY H H 32 8.783 8.446 0.337 1
1 185 . 21 1 1 S 23 23 GLY HA2 H 32 4.177 4.087 0.090 1
1 186 . 21 1 1 S 23 23 GLY HA3 H 32 3.697 4.196 -0.499 1
1 187 . 21 1 1 S 23 23 GLY CA C 32 45.506 47.191 -1.685 1
1 188 . 21 1 1 S 23 23 GLY N N 32 111.472 108.145 3.327 1
1 189 . 21 1 1 S 24 24 VAL H H 33 6.850 8.012 -1.162 1
1 190 . 21 1 1 S 24 24 VAL HA H 33 3.805 4.330 -0.525 1
1 198 . 21 1 1 S 24 24 VAL CA C 33 42.632 62.960 -20.328 1
1 199 . 21 1 1 S 24 24 VAL CB C 33 32.321 31.631 0.690 1
1 202 . 21 1 1 S 24 24 VAL N N 33 117.021 120.601 -3.580 1
1 203 . 21 1 1 S 25 25 ASP H H 34 8.276 9.225 -0.949 1
1 206 . 21 1 1 S 25 25 ASP CB C 34 41.766 41.426 0.340 1
1 207 . 21 1 1 S 25 25 ASP N N 34 126.270 128.778 -2.508 1
1 208 . 21 1 1 S 26 26 PRO HA H 35 4.082 4.389 -0.307 1
1 215 . 21 1 1 S 26 26 PRO CA C 35 44.876 65.526 -20.650 1
1 216 . 21 1 1 S 26 26 PRO CB C 35 32.282 31.880 0.402 1
1 219 . 21 1 1 S 27 27 LEU H H 36 8.583 8.257 0.326 1
1 220 . 21 1 1 S 27 27 LEU HA H 36 4.361 4.537 -0.176 1
1 230 . 21 1 1 S 27 27 LEU CA C 36 36.955 55.932 -18.977 1
1 231 . 21 1 1 S 27 27 LEU CB C 36 41.466 41.658 -0.192 1
1 235 . 21 1 1 S 27 27 LEU N N 36 118.640 114.651 3.989 1
1 236 . 21 1 1 S 28 28 LYS H H 37 7.838 7.382 0.456 1
1 237 . 21 1 1 S 28 28 LYS HA H 37 5.037 4.610 0.427 1
1 243 . 21 1 1 S 28 28 LYS CA C 37 35.415 55.300 -19.885 1
1 244 . 21 1 1 S 28 28 LYS CB C 37 33.967 33.215 0.752 1
1 247 . 21 1 1 S 28 28 LYS N N 37 120.258 117.172 3.086 1
1 248 . 21 1 1 S 29 29 LEU H H 38 8.203 8.476 -0.273 1
1 249 . 21 1 1 S 29 29 LEU HA H 38 4.266 2.489 1.777 1
1 259 . 21 1 1 S 29 29 LEU CA C 38 39.317 56.995 -17.678 1
1 262 . 21 1 1 S 29 29 LEU N N 38 117.021 125.278 -8.257 1
1 263 . 21 1 1 S 30 30 GLU H H 39 10.041 8.075 1.966 1
1 264 . 21 1 1 S 30 30 GLU HA H 39 4.086 3.738 0.348 1
1 269 . 21 1 1 S 30 30 GLU CA C 39 39.629 58.671 -19.042 1
1 270 . 21 1 1 S 30 30 GLU CB C 39 45.835 28.746 17.089 1
1 272 . 21 1 1 S 30 30 GLU N N 39 114.478 116.863 -2.385 1
1 273 . 21 1 1 S 31 31 ILE H H 40 7.920 7.373 0.547 1
1 274 . 21 1 1 S 31 31 ILE HA H 40 4.266 3.971 0.295 1
1 284 . 21 1 1 S 31 31 ILE CA C 40 44.411 63.708 -19.297 1
1 285 . 21 1 1 S 31 31 ILE CB C 40 37.472 37.127 0.345 1
1 289 . 21 1 1 S 31 31 ILE N N 40 116.790 116.476 0.314 1
1 290 . 21 1 1 S 32 32 TYR H H 41 7.426 8.222 -0.796 1
1 291 . 21 1 1 S 32 32 TYR HA H 41 4.928 4.461 0.467 1
1 296 . 21 1 1 S 32 32 TYR CB C 41 39.324 38.970 0.354 1
1 297 . 21 1 1 S 32 32 TYR N N 41 119.565 118.601 0.964 1
1 298 . 21 1 1 S 33 33 LEU H H 42 6.749 7.448 -0.699 1
1 299 . 21 1 1 S 33 33 LEU HA H 42 5.266 4.838 0.428 1
1 309 . 21 1 1 S 33 33 LEU CA C 42 33.953 53.388 -19.435 1
1 310 . 21 1 1 S 33 33 LEU CB C 42 45.122 44.617 0.505 1
1 314 . 21 1 1 S 33 33 LEU N N 42 114.709 116.991 -2.282 1
1 315 . 21 1 1 S 34 34 THR H H 43 9.549 8.663 0.886 1
1 316 . 21 1 1 S 34 34 THR HA H 43 4.319 4.596 -0.277 1
1 322 . 21 1 1 S 34 34 THR CA C 43 42.615 61.850 -19.235 1
1 323 . 21 1 1 S 34 34 THR CB C 43 34.267 70.134 -35.867 1
1 325 . 21 1 1 S 34 34 THR N N 43 115.172 118.388 -3.216 1
1 326 . 21 1 1 S 35 35 ASP H H 44 9.173 9.184 -0.011 1
1 327 . 21 1 1 S 35 35 ASP HA H 44 4.361 4.470 -0.109 1
1 330 . 21 1 1 S 35 35 ASP CA C 44 39.549 57.138 -17.589 1
1 331 . 21 1 1 S 35 35 ASP CB C 44 39.585 39.933 -0.348 1
1 332 . 21 1 1 S 35 35 ASP N N 44 122.339 123.260 -0.921 1
1 333 . 21 1 1 S 36 36 GLU H H 45 8.781 8.137 0.644 1
1 334 . 21 1 1 S 36 36 GLU HA H 45 4.119 4.155 -0.036 1
1 339 . 21 1 1 S 36 36 GLU CA C 45 41.388 59.242 -17.854 1
1 340 . 21 1 1 S 36 36 GLU CB C 45 29.301 29.418 -0.117 1
1 342 . 21 1 1 S 36 36 GLU N N 45 118.640 120.096 -1.456 1
1 343 . 21 1 1 S 37 37 ASP H H 46 7.864 8.090 -0.226 1
1 344 . 21 1 1 S 37 37 ASP HA H 46 4.726 4.456 0.270 1
1 347 . 21 1 1 S 37 37 ASP CA C 46 38.055 57.240 -19.185 1
1 348 . 21 1 1 S 37 37 ASP CB C 46 41.567 40.706 0.861 1
1 349 . 21 1 1 S 37 37 ASP N N 46 121.646 120.634 1.012 1
1 350 . 21 1 1 S 38 38 PHE H H 47 9.196 9.080 0.116 1
1 351 . 21 1 1 S 38 38 PHE HA H 47 3.753 4.171 -0.418 1
1 357 . 21 1 1 S 38 38 PHE CA C 47 43.221 61.456 -18.235 1
1 358 . 21 1 1 S 38 38 PHE CB C 47 40.280 38.807 1.473 1
1 359 . 21 1 1 S 38 38 PHE N N 47 122.802 119.502 3.300 1
1 360 . 21 1 1 S 39 39 GLU H H 48 8.496 9.414 -0.918 1
1 361 . 21 1 1 S 39 39 GLU HA H 48 4.413 3.953 0.460 1
1 365 . 21 1 1 S 39 39 GLU CA C 48 40.140 59.581 -19.441 1
1 366 . 21 1 1 S 39 39 GLU CB C 48 29.498 29.462 0.036 1
1 368 . 21 1 1 S 39 39 GLU N N 48 118.177 117.336 0.841 1
1 369 . 21 1 1 S 40 40 PHE H H 49 7.898 7.470 0.428 1
1 370 . 21 1 1 S 40 40 PHE HA H 49 4.320 4.328 -0.008 1
1 376 . 21 1 1 S 40 40 PHE CA C 49 41.713 60.055 -18.342 1
1 377 . 21 1 1 S 40 40 PHE CB C 49 39.847 40.161 -0.314 1
1 378 . 21 1 1 S 40 40 PHE N N 49 119.565 119.334 0.231 1
1 379 . 21 1 1 S 41 41 ALA H H 50 8.637 7.949 0.688 1
1 380 . 21 1 1 S 41 41 ALA HA H 50 3.947 4.494 -0.547 1
1 384 . 21 1 1 S 41 41 ALA CA C 50 35.451 53.604 -18.153 1
1 385 . 21 1 1 S 41 41 ALA CB C 50 39.091 19.825 19.266 1
1 386 . 21 1 1 S 41 41 ALA N N 50 119.565 121.728 -2.163 1
1 387 . 21 1 1 S 42 42 LEU H H 51 8.275 8.550 -0.275 1
1 388 . 21 1 1 S 42 42 LEU HA H 51 4.142 4.522 -0.380 1
1 397 . 21 1 1 S 42 42 LEU CA C 51 35.946 54.250 -18.304 1
1 398 . 21 1 1 S 42 42 LEU CB C 51 41.238 43.554 -2.316 1
1 402 . 21 1 1 S 42 42 LEU N N 51 113.553 114.933 -1.380 1
1 403 . 21 1 1 S 43 43 ASP H H 52 7.841 8.319 -0.478 1
1 404 . 21 1 1 S 43 43 ASP HA H 52 4.483 4.583 -0.100 1
1 407 . 21 1 1 S 43 43 ASP CA C 52 36.572 55.381 -18.809 1
1 408 . 21 1 1 S 43 43 ASP CB C 52 39.869 39.382 0.487 1
1 409 . 21 1 1 S 43 43 ASP N N 52 115.865 117.356 -1.491 1
1 410 . 21 1 1 S 44 44 MET H H 53 7.424 7.072 0.352 1
1 411 . 21 1 1 S 44 44 MET HA H 53 4.753 4.770 -0.017 1
1 419 . 21 1 1 S 44 44 MET CA C 53 36.030 53.163 -17.133 1
1 420 . 21 1 1 S 44 44 MET CB C 53 34.947 34.719 0.228 1
1 422 . 21 1 1 S 44 44 MET N N 53 111.703 117.335 -5.632 1
1 423 . 21 1 1 S 45 45 THR H H 54 8.372 7.858 0.514 1
1 424 . 21 1 1 S 45 45 THR HA H 54 4.526 4.614 -0.088 1
1 429 . 21 1 1 S 45 45 THR CA C 54 41.951 58.977 -17.026 1
1 430 . 21 1 1 S 45 45 THR CB C 54 33.933 71.832 -37.899 1
1 432 . 21 1 1 S 45 45 THR N N 54 107.079 110.907 -3.828 1
1 433 . 21 1 1 S 46 46 ARG H H 55 8.999 8.733 0.266 1
1 434 . 21 1 1 S 46 46 ARG HA H 55 3.469 3.715 -0.246 1
1 441 . 21 1 1 S 46 46 ARG CA C 55 41.154 58.909 -17.755 1
1 442 . 21 1 1 S 46 46 ARG CB C 55 29.806 30.027 -0.221 1
1 445 . 21 1 1 S 46 46 ARG N N 55 122.570 122.390 0.180 1
1 447 . 21 1 1 S 47 47 ASP H H 56 8.199 7.897 0.302 1
1 448 . 21 1 1 S 47 47 ASP HA H 56 4.334 4.443 -0.109 1
1 451 . 21 1 1 S 47 47 ASP CB C 56 40.724 41.105 -0.381 1
1 452 . 21 1 1 S 47 47 ASP N N 56 116.559 117.217 -0.658 1
1 453 . 21 1 1 S 48 48 GLU H H 57 7.547 7.987 -0.440 1
1 454 . 21 1 1 S 48 48 GLU HA H 57 3.920 4.162 -0.242 1
1 458 . 21 1 1 S 48 48 GLU CA C 57 40.418 58.390 -17.972 1
1 459 . 21 1 1 S 48 48 GLU CB C 57 29.932 30.293 -0.361 1
1 461 . 21 1 1 S 48 48 GLU N N 57 120.721 119.488 1.233 1
1 462 . 21 1 1 S 49 49 TYR H H 58 8.535 8.148 0.387 1
1 463 . 21 1 1 S 49 49 TYR HA H 58 4.181 4.064 0.117 1
1 468 . 21 1 1 S 49 49 TYR CA C 58 42.353 61.104 -18.751 1
1 469 . 21 1 1 S 49 49 TYR CB C 58 39.530 37.374 2.156 1
1 470 . 21 1 1 S 49 49 TYR N N 58 122.570 119.883 2.687 1
1 471 . 21 1 1 S 50 50 ASN H H 59 8.869 8.383 0.486 1
1 472 . 21 1 1 S 50 50 ASN HA H 59 4.293 4.507 -0.214 1
1 476 . 21 1 1 S 50 50 ASN CA C 59 35.728 55.951 -20.223 1
1 477 . 21 1 1 S 50 50 ASN CB C 59 38.117 38.462 -0.345 1
1 478 . 21 1 1 S 50 50 ASN N N 59 117.484 117.174 0.310 1
1 480 . 21 1 1 S 51 51 ALA H H 60 7.146 7.632 -0.486 1
1 481 . 21 1 1 S 51 51 ALA HA H 60 4.342 4.452 -0.110 1
1 485 . 21 1 1 S 51 51 ALA CA C 60 33.070 52.436 -19.366 1
1 486 . 21 1 1 S 51 51 ALA CB C 60 38.063 20.995 17.068 1
1 487 . 21 1 1 S 51 51 ALA N N 60 120.027 119.937 0.090 1
1 488 . 21 1 1 S 52 52 LEU H H 61 7.396 7.718 -0.322 1
1 489 . 21 1 1 S 52 52 LEU HA H 61 4.338 4.350 -0.012 1
1 499 . 21 1 1 S 52 52 LEU CA C 61 33.941 53.720 -19.779 1
1 500 . 21 1 1 S 52 52 LEU CB C 61 42.540 40.691 1.849 1
1 504 . 21 1 1 S 52 52 LEU N N 61 121.183 121.872 -0.689 1
1 505 . 21 1 1 S 53 53 PRO HA H 62 4.381 4.444 -0.063 1
1 512 . 21 1 1 S 53 53 PRO CA C 62 43.181 62.988 -19.807 1
1 513 . 21 1 1 S 53 53 PRO CB C 62 32.503 32.634 -0.131 1
1 516 . 21 1 1 S 54 54 ALA H H 63 8.847 8.600 0.247 1
1 517 . 21 1 1 S 54 54 ALA HA H 63 3.953 3.848 0.105 1
1 521 . 21 1 1 S 54 54 ALA CA C 63 36.779 53.986 -17.207 1
1 522 . 21 1 1 S 54 54 ALA CB C 63 36.769 18.503 18.266 1
1 523 . 21 1 1 S 54 54 ALA N N 63 126.270 125.736 0.534 1
1 524 . 21 1 1 S 55 55 TRP H H 64 7.875 7.866 0.009 1
1 525 . 21 1 1 S 55 55 TRP HA H 64 4.378 4.370 0.008 1
1 534 . 21 1 1 S 55 55 TRP CA C 64 39.808 59.959 -20.151 1
1 535 . 21 1 1 S 55 55 TRP CB C 64 45.794 29.175 16.619 1
1 536 . 21 1 1 S 55 55 TRP N N 64 113.553 119.770 -6.217 1
1 538 . 21 1 1 S 56 56 LYS H H 65 6.197 7.616 -1.419 1
1 539 . 21 1 1 S 56 56 LYS HA H 65 3.631 2.361 1.270 1
1 547 . 21 1 1 S 56 56 LYS CA C 65 39.976 58.870 -18.894 1
1 548 . 21 1 1 S 56 56 LYS CB C 65 32.615 31.525 1.090 1
1 551 . 21 1 1 S 56 56 LYS N N 65 122.802 121.609 1.193 1
1 552 . 21 1 1 S 57 57 GLN H H 66 7.521 7.513 0.008 1
1 553 . 21 1 1 S 57 57 GLN HA H 66 3.585 3.224 0.361 1
1 560 . 21 1 1 S 57 57 GLN CA C 66 40.775 57.865 -17.090 1
1 561 . 21 1 1 S 57 57 GLN CB C 66 46.154 27.432 18.722 1
1 563 . 21 1 1 S 57 57 GLN N N 66 120.480 117.032 3.448 1
1 565 . 21 1 1 S 58 58 VAL H H 67 7.775 7.856 -0.081 1
1 566 . 21 1 1 S 58 58 VAL HA H 67 3.197 3.822 -0.625 1
1 574 . 21 1 1 S 58 58 VAL CA C 67 29.564 66.213 -36.649 1
1 575 . 21 1 1 S 58 58 VAL CB C 67 31.723 31.488 0.235 1
1 578 . 21 1 1 S 58 58 VAL N N 67 117.021 121.054 -4.033 1
1 579 . 21 1 1 S 59 59 ASN H H 68 7.497 9.089 -1.592 1
1 580 . 21 1 1 S 59 59 ASN HA H 68 4.310 4.510 -0.200 1
1 584 . 21 1 1 S 59 59 ASN CA C 68 37.310 56.440 -19.130 1
1 585 . 21 1 1 S 59 59 ASN CB C 68 37.866 38.583 -0.717 1
1 586 . 21 1 1 S 59 59 ASN N N 68 118.177 118.457 -0.280 1
1 588 . 21 1 1 S 60 60 LEU H H 69 8.144 7.638 0.506 1
1 589 . 21 1 1 S 60 60 LEU HA H 69 4.226 4.167 0.059 1
1 599 . 21 1 1 S 60 60 LEU CA C 69 39.078 56.837 -17.759 1
1 600 . 21 1 1 S 60 60 LEU CB C 69 42.244 41.580 0.664 1
1 603 . 21 1 1 S 60 60 LEU N N 69 122.570 120.434 2.136 1
1 604 . 21 1 1 S 61 61 LYS H H 70 8.190 8.107 0.083 1
1 605 . 21 1 1 S 61 61 LYS HA H 70 3.610 4.120 -0.510 1
1 611 . 21 1 1 S 61 61 LYS CA C 70 43.383 59.684 -16.301 1
1 612 . 21 1 1 S 61 61 LYS CB C 70 32.375 32.397 -0.022 1
1 614 . 21 1 1 S 61 61 LYS N N 70 116.790 119.791 -3.001 1
1 615 . 21 1 1 S 62 62 LYS H H 71 8.863 7.978 0.885 1
1 616 . 21 1 1 S 62 62 LYS HA H 71 4.121 4.148 -0.027 1
1 623 . 21 1 1 S 62 62 LYS CA C 71 41.331 59.498 -18.167 1
1 624 . 21 1 1 S 62 62 LYS CB C 71 32.973 32.260 0.713 1
1 628 . 21 1 1 S 62 62 LYS N N 71 119.102 119.329 -0.227 1
1 629 . 21 1 1 S 63 63 ALA H H 72 7.734 7.687 0.047 1
1 630 . 21 1 1 S 63 63 ALA HA H 72 4.211 4.089 0.122 1
1 634 . 21 1 1 S 63 63 ALA CA C 72 35.710 54.709 -18.999 1
1 635 . 21 1 1 S 63 63 ALA CB C 72 37.243 18.155 19.088 1
1 636 . 21 1 1 S 63 63 ALA N N 72 121.414 121.502 -0.088 1
1 637 . 21 1 1 S 64 64 LYS H H 73 7.546 7.316 0.230 1
1 638 . 21 1 1 S 64 64 LYS HA H 73 4.468 4.370 0.098 1
1 644 . 21 1 1 S 64 64 LYS CA C 73 34.628 56.554 -21.926 1
1 645 . 21 1 1 S 64 64 LYS CB C 73 32.588 33.180 -0.592 1
1 646 . 21 1 1 S 64 64 LYS N N 73 114.016 115.892 -1.876 1
1 647 . 21 1 1 S 65 65 GLY H H 74 7.508 7.859 -0.351 1
1 648 . 21 1 1 S 65 65 GLY HA2 H 74 4.260 4.087 0.173 1
1 649 . 21 1 1 S 65 65 GLY HA3 H 74 4.012 4.088 -0.076 1
1 650 . 21 1 1 S 65 65 GLY CA C 74 46.235 45.245 0.990 1
1 651 . 21 1 1 S 65 65 GLY N N 74 105.692 106.821 -1.129 1
1 652 . 21 1 1 S 66 66 LEU H H 75 8.400 8.009 0.391 1
1 653 . 21 1 1 S 66 66 LEU HA H 75 4.519 4.198 0.321 1
1 663 . 21 1 1 S 66 66 LEU CA C 75 34.331 57.230 -22.899 1
1 664 . 21 1 1 S 66 66 LEU CB C 75 42.886 42.419 0.467 1
1 668 . 21 1 1 S 66 66 LEU N N 75 120.952 120.986 -0.034 1
1 1 . 22 1 1 S 6 6 CYS HA H 15 4.540 5.235 -0.695 1
1 4 . 22 1 1 S 6 6 CYS CB C 15 28.556 31.105 -2.549 1
1 5 . 22 1 1 S 7 7 LYS HA H 16 4.376 4.577 -0.201 1
1 8 . 22 1 1 S 7 7 LYS CA C 16 37.775 56.610 -18.835 1
1 9 . 22 1 1 S 7 7 LYS CB C 16 33.150 32.854 0.296 1
1 10 . 22 1 1 S 8 8 THR H H 17 8.305 8.860 -0.555 1
1 11 . 22 1 1 S 8 8 THR HA H 17 4.320 5.031 -0.711 1
1 16 . 22 1 1 S 8 8 THR CA C 17 44.017 60.349 -16.332 1
1 17 . 22 1 1 S 8 8 THR CB C 17 31.886 71.836 -39.950 1
1 19 . 22 1 1 S 8 8 THR N N 17 115.400 114.473 0.927 1
1 20 . 22 1 1 S 9 9 ILE H H 18 7.450 8.824 -1.374 1
1 21 . 22 1 1 S 9 9 ILE HA H 18 5.077 4.676 0.401 1
1 31 . 22 1 1 S 9 9 ILE CA C 18 38.964 60.186 -21.222 1
1 32 . 22 1 1 S 9 9 ILE CB C 18 40.553 39.969 0.584 1
1 36 . 22 1 1 S 9 9 ILE N N 18 122.802 127.437 -4.635 1
1 37 . 22 1 1 S 10 10 TYR H H 19 9.151 8.622 0.529 1
1 38 . 22 1 1 S 10 10 TYR HA H 19 4.927 4.923 0.004 1
1 43 . 22 1 1 S 10 10 TYR CB C 19 41.335 39.323 2.012 1
1 44 . 22 1 1 S 10 10 TYR N N 19 124.420 129.242 -4.822 1
1 45 . 22 1 1 S 11 11 PRO HA H 20 4.496 4.586 -0.090 1
1 52 . 22 1 1 S 11 11 PRO CA C 20 43.576 63.213 -19.637 1
1 53 . 22 1 1 S 11 11 PRO CB C 20 32.801 31.890 0.911 1
1 55 . 22 1 1 S 12 12 LEU H H 21 7.790 8.307 -0.517 1
1 56 . 22 1 1 S 12 12 LEU HA H 21 3.896 4.062 -0.166 1
1 66 . 22 1 1 S 12 12 LEU CA C 21 39.620 57.891 -18.271 1
1 67 . 22 1 1 S 12 12 LEU CB C 21 42.245 41.756 0.489 1
1 71 . 22 1 1 S 12 12 LEU N N 21 123.727 124.998 -1.271 1
1 72 . 22 1 1 S 13 13 ALA H H 22 8.995 8.532 0.463 1
1 73 . 22 1 1 S 13 13 ALA HA H 22 3.943 4.073 -0.130 1
1 77 . 22 1 1 S 13 13 ALA CA C 22 36.717 55.426 -18.709 1
1 78 . 22 1 1 S 13 13 ALA CB C 22 37.456 18.092 19.364 1
1 79 . 22 1 1 S 13 13 ALA N N 22 116.790 121.707 -4.917 1
1 80 . 22 1 1 S 14 14 ASP H H 23 7.393 8.132 -0.739 1
1 81 . 22 1 1 S 14 14 ASP HA H 23 4.387 4.434 -0.047 1
1 84 . 22 1 1 S 14 14 ASP CB C 23 40.902 40.590 0.312 1
1 85 . 22 1 1 S 14 14 ASP N N 23 115.403 119.047 -3.644 1
1 86 . 22 1 1 S 15 15 LEU H H 24 7.452 7.632 -0.180 1
1 87 . 22 1 1 S 15 15 LEU HA H 24 4.281 4.344 -0.063 1
1 97 . 22 1 1 S 15 15 LEU CA C 24 35.761 56.446 -20.685 1
1 98 . 22 1 1 S 15 15 LEU CB C 24 41.179 42.556 -1.377 1
1 101 . 22 1 1 S 15 15 LEU N N 24 116.328 115.446 0.882 1
1 102 . 22 1 1 S 16 16 LEU H H 25 7.396 7.752 -0.356 1
1 103 . 22 1 1 S 16 16 LEU HA H 25 4.350 4.159 0.191 1
1 112 . 22 1 1 S 16 16 LEU CA C 25 36.365 57.116 -20.751 1
1 113 . 22 1 1 S 16 16 LEU CB C 25 42.493 42.673 -0.180 1
1 116 . 22 1 1 S 16 16 LEU N N 25 116.790 121.046 -4.256 1
1 117 . 22 1 1 S 17 17 ALA H H 26 6.894 7.443 -0.549 1
1 118 . 22 1 1 S 17 17 ALA HA H 26 4.349 4.567 -0.218 1
1 122 . 22 1 1 S 17 17 ALA CB C 26 39.296 19.311 19.985 1
1 123 . 22 1 1 S 17 17 ALA N N 26 122.802 120.491 2.311 1
1 124 . 22 1 1 S 18 18 ARG H H 27 8.019 7.537 0.482 1
1 125 . 22 1 1 S 18 18 ARG HA H 27 4.429 4.922 -0.493 1
1 132 . 22 1 1 S 18 18 ARG CA C 27 32.436 53.880 -21.444 1
1 133 . 22 1 1 S 18 18 ARG CB C 27 31.405 33.181 -1.776 1
1 136 . 22 1 1 S 18 18 ARG N N 27 116.328 114.714 1.614 1
1 137 . 22 1 1 S 19 19 PRO HA H 28 4.483 4.466 0.017 1
1 144 . 22 1 1 S 19 19 PRO CA C 28 43.719 62.319 -18.600 1
1 145 . 22 1 1 S 19 19 PRO CB C 28 35.007 29.505 5.502 1
1 148 . 22 1 1 S 20 20 LEU H H 29 8.634 8.613 0.021 1
1 149 . 22 1 1 S 20 20 LEU HA H 29 4.286 4.565 -0.279 1
1 159 . 22 1 1 S 20 20 LEU CA C 29 34.887 53.322 -18.435 1
1 160 . 22 1 1 S 20 20 LEU CB C 29 42.067 41.857 0.210 1
1 163 . 22 1 1 S 20 20 LEU N N 29 123.033 119.801 3.232 1
1 164 . 22 1 1 S 21 21 PRO HA H 30 4.273 4.605 -0.332 1
1 171 . 22 1 1 S 21 21 PRO CA C 30 43.649 62.208 -18.559 1
1 172 . 22 1 1 S 21 21 PRO CB C 30 31.638 32.989 -1.351 1
1 175 . 22 1 1 S 22 22 GLU H H 31 8.522 8.886 -0.364 1
1 176 . 22 1 1 S 22 22 GLU HA H 31 3.988 4.140 -0.152 1
1 180 . 22 1 1 S 22 22 GLU CA C 31 39.044 58.948 -19.904 1
1 181 . 22 1 1 S 22 22 GLU CB C 31 29.490 29.450 0.040 1
1 183 . 22 1 1 S 22 22 GLU N N 31 123.264 121.713 1.551 1
1 184 . 22 1 1 S 23 23 GLY H H 32 8.783 8.390 0.393 1
1 185 . 22 1 1 S 23 23 GLY HA2 H 32 4.177 3.938 0.239 1
1 186 . 22 1 1 S 23 23 GLY HA3 H 32 3.697 4.017 -0.320 1
1 187 . 22 1 1 S 23 23 GLY CA C 32 45.506 47.141 -1.635 1
1 188 . 22 1 1 S 23 23 GLY N N 32 111.472 108.049 3.423 1
1 189 . 22 1 1 S 24 24 VAL H H 33 6.850 7.710 -0.860 1
1 190 . 22 1 1 S 24 24 VAL HA H 33 3.805 2.962 0.843 1
1 198 . 22 1 1 S 24 24 VAL CA C 33 42.632 62.149 -19.517 1
1 199 . 22 1 1 S 24 24 VAL CB C 33 32.321 31.517 0.804 1
1 202 . 22 1 1 S 24 24 VAL N N 33 117.021 120.547 -3.526 1
1 203 . 22 1 1 S 25 25 ASP H H 34 8.276 9.104 -0.828 1
1 206 . 22 1 1 S 25 25 ASP CB C 34 41.766 41.000 0.766 1
1 207 . 22 1 1 S 25 25 ASP N N 34 126.270 128.180 -1.910 1
1 208 . 22 1 1 S 26 26 PRO HA H 35 4.082 4.598 -0.516 1
1 215 . 22 1 1 S 26 26 PRO CA C 35 44.876 64.318 -19.442 1
1 216 . 22 1 1 S 26 26 PRO CB C 35 32.282 31.886 0.396 1
1 219 . 22 1 1 S 27 27 LEU H H 36 8.583 8.361 0.222 1
1 220 . 22 1 1 S 27 27 LEU HA H 36 4.361 4.634 -0.273 1
1 230 . 22 1 1 S 27 27 LEU CA C 36 36.955 55.815 -18.860 1
1 231 . 22 1 1 S 27 27 LEU CB C 36 41.466 42.018 -0.552 1
1 235 . 22 1 1 S 27 27 LEU N N 36 118.640 115.393 3.247 1
1 236 . 22 1 1 S 28 28 LYS H H 37 7.838 7.337 0.501 1
1 237 . 22 1 1 S 28 28 LYS HA H 37 5.037 4.608 0.429 1
1 243 . 22 1 1 S 28 28 LYS CA C 37 35.415 55.431 -20.016 1
1 244 . 22 1 1 S 28 28 LYS CB C 37 33.967 35.061 -1.094 1
1 247 . 22 1 1 S 28 28 LYS N N 37 120.258 116.363 3.895 1
1 248 . 22 1 1 S 29 29 LEU H H 38 8.203 8.831 -0.628 1
1 249 . 22 1 1 S 29 29 LEU HA H 38 4.266 3.429 0.837 1
1 259 . 22 1 1 S 29 29 LEU CA C 38 39.317 56.491 -17.174 1
1 262 . 22 1 1 S 29 29 LEU N N 38 117.021 122.132 -5.111 1
1 263 . 22 1 1 S 30 30 GLU H H 39 10.041 8.169 1.872 1
1 264 . 22 1 1 S 30 30 GLU HA H 39 4.086 3.656 0.430 1
1 269 . 22 1 1 S 30 30 GLU CA C 39 39.629 58.460 -18.831 1
1 270 . 22 1 1 S 30 30 GLU CB C 39 45.835 28.737 17.098 1
1 272 . 22 1 1 S 30 30 GLU N N 39 114.478 116.834 -2.356 1
1 273 . 22 1 1 S 31 31 ILE H H 40 7.920 7.408 0.512 1
1 274 . 22 1 1 S 31 31 ILE HA H 40 4.266 3.800 0.466 1
1 284 . 22 1 1 S 31 31 ILE CA C 40 44.411 64.293 -19.882 1
1 285 . 22 1 1 S 31 31 ILE CB C 40 37.472 37.504 -0.032 1
1 289 . 22 1 1 S 31 31 ILE N N 40 116.790 117.377 -0.587 1
1 290 . 22 1 1 S 32 32 TYR H H 41 7.426 7.432 -0.006 1
1 291 . 22 1 1 S 32 32 TYR HA H 41 4.928 4.556 0.372 1
1 296 . 22 1 1 S 32 32 TYR CB C 41 39.324 38.529 0.795 1
1 297 . 22 1 1 S 32 32 TYR N N 41 119.565 118.566 0.999 1
1 298 . 22 1 1 S 33 33 LEU H H 42 6.749 7.421 -0.672 1
1 299 . 22 1 1 S 33 33 LEU HA H 42 5.266 4.856 0.410 1
1 309 . 22 1 1 S 33 33 LEU CA C 42 33.953 53.302 -19.349 1
1 310 . 22 1 1 S 33 33 LEU CB C 42 45.122 44.471 0.651 1
1 314 . 22 1 1 S 33 33 LEU N N 42 114.709 116.981 -2.272 1
1 315 . 22 1 1 S 34 34 THR H H 43 9.549 8.746 0.803 1
1 316 . 22 1 1 S 34 34 THR HA H 43 4.319 4.660 -0.341 1
1 322 . 22 1 1 S 34 34 THR CA C 43 42.615 62.014 -19.399 1
1 323 . 22 1 1 S 34 34 THR CB C 43 34.267 69.664 -35.397 1
1 325 . 22 1 1 S 34 34 THR N N 43 115.172 119.978 -4.806 1
1 326 . 22 1 1 S 35 35 ASP H H 44 9.173 9.160 0.013 1
1 327 . 22 1 1 S 35 35 ASP HA H 44 4.361 4.462 -0.101 1
1 330 . 22 1 1 S 35 35 ASP CA C 44 39.549 57.047 -17.498 1
1 331 . 22 1 1 S 35 35 ASP CB C 44 39.585 39.777 -0.192 1
1 332 . 22 1 1 S 35 35 ASP N N 44 122.339 123.108 -0.769 1
1 333 . 22 1 1 S 36 36 GLU H H 45 8.781 8.192 0.589 1
1 334 . 22 1 1 S 36 36 GLU HA H 45 4.119 4.137 -0.018 1
1 339 . 22 1 1 S 36 36 GLU CA C 45 41.388 59.064 -17.676 1
1 340 . 22 1 1 S 36 36 GLU CB C 45 29.301 29.537 -0.236 1
1 342 . 22 1 1 S 36 36 GLU N N 45 118.640 120.410 -1.770 1
1 343 . 22 1 1 S 37 37 ASP H H 46 7.864 8.059 -0.195 1
1 344 . 22 1 1 S 37 37 ASP HA H 46 4.726 4.483 0.243 1
1 347 . 22 1 1 S 37 37 ASP CA C 46 38.055 57.130 -19.075 1
1 348 . 22 1 1 S 37 37 ASP CB C 46 41.567 40.824 0.743 1
1 349 . 22 1 1 S 37 37 ASP N N 46 121.646 120.550 1.096 1
1 350 . 22 1 1 S 38 38 PHE H H 47 9.196 8.747 0.449 1
1 351 . 22 1 1 S 38 38 PHE HA H 47 3.753 4.089 -0.336 1
1 357 . 22 1 1 S 38 38 PHE CA C 47 43.221 61.389 -18.168 1
1 358 . 22 1 1 S 38 38 PHE CB C 47 40.280 38.521 1.759 1
1 359 . 22 1 1 S 38 38 PHE N N 47 122.802 119.349 3.453 1
1 360 . 22 1 1 S 39 39 GLU H H 48 8.496 9.471 -0.975 1
1 361 . 22 1 1 S 39 39 GLU HA H 48 4.413 3.965 0.448 1
1 365 . 22 1 1 S 39 39 GLU CA C 48 40.140 59.712 -19.572 1
1 366 . 22 1 1 S 39 39 GLU CB C 48 29.498 29.345 0.153 1
1 368 . 22 1 1 S 39 39 GLU N N 48 118.177 117.584 0.593 1
1 369 . 22 1 1 S 40 40 PHE H H 49 7.898 8.444 -0.546 1
1 370 . 22 1 1 S 40 40 PHE HA H 49 4.320 4.174 0.146 1
1 376 . 22 1 1 S 40 40 PHE CA C 49 41.713 60.816 -19.103 1
1 377 . 22 1 1 S 40 40 PHE CB C 49 39.847 39.290 0.557 1
1 378 . 22 1 1 S 40 40 PHE N N 49 119.565 121.308 -1.743 1
1 379 . 22 1 1 S 41 41 ALA H H 50 8.637 7.571 1.066 1
1 380 . 22 1 1 S 41 41 ALA HA H 50 3.947 4.375 -0.428 1
1 384 . 22 1 1 S 41 41 ALA CA C 50 35.451 53.850 -18.399 1
1 385 . 22 1 1 S 41 41 ALA CB C 50 39.091 20.005 19.086 1
1 386 . 22 1 1 S 41 41 ALA N N 50 119.565 122.185 -2.620 1
1 387 . 22 1 1 S 42 42 LEU H H 51 8.275 8.219 0.056 1
1 388 . 22 1 1 S 42 42 LEU HA H 51 4.142 4.433 -0.291 1
1 397 . 22 1 1 S 42 42 LEU CA C 51 35.946 54.358 -18.412 1
1 398 . 22 1 1 S 42 42 LEU CB C 51 41.238 42.804 -1.566 1
1 402 . 22 1 1 S 42 42 LEU N N 51 113.553 115.069 -1.516 1
1 403 . 22 1 1 S 43 43 ASP H H 52 7.841 8.594 -0.753 1
1 404 . 22 1 1 S 43 43 ASP HA H 52 4.483 4.644 -0.161 1
1 407 . 22 1 1 S 43 43 ASP CA C 52 36.572 55.551 -18.979 1
1 408 . 22 1 1 S 43 43 ASP CB C 52 39.869 39.604 0.265 1
1 409 . 22 1 1 S 43 43 ASP N N 52 115.865 117.242 -1.377 1
1 410 . 22 1 1 S 44 44 MET H H 53 7.424 7.500 -0.076 1
1 411 . 22 1 1 S 44 44 MET HA H 53 4.753 4.741 0.012 1
1 419 . 22 1 1 S 44 44 MET CA C 53 36.030 52.981 -16.951 1
1 420 . 22 1 1 S 44 44 MET CB C 53 34.947 34.433 0.514 1
1 422 . 22 1 1 S 44 44 MET N N 53 111.703 117.696 -5.993 1
1 423 . 22 1 1 S 45 45 THR H H 54 8.372 7.792 0.580 1
1 424 . 22 1 1 S 45 45 THR HA H 54 4.526 4.429 0.097 1
1 429 . 22 1 1 S 45 45 THR CA C 54 41.951 58.754 -16.803 1
1 430 . 22 1 1 S 45 45 THR CB C 54 33.933 71.668 -37.735 1
1 432 . 22 1 1 S 45 45 THR N N 54 107.079 110.556 -3.477 1
1 433 . 22 1 1 S 46 46 ARG H H 55 8.999 8.447 0.552 1
1 434 . 22 1 1 S 46 46 ARG HA H 55 3.469 3.653 -0.184 1
1 441 . 22 1 1 S 46 46 ARG CA C 55 41.154 58.889 -17.735 1
1 442 . 22 1 1 S 46 46 ARG CB C 55 29.806 30.079 -0.273 1
1 445 . 22 1 1 S 46 46 ARG N N 55 122.570 122.013 0.557 1
1 447 . 22 1 1 S 47 47 ASP H H 56 8.199 7.642 0.557 1
1 448 . 22 1 1 S 47 47 ASP HA H 56 4.334 4.472 -0.138 1
1 451 . 22 1 1 S 47 47 ASP CB C 56 40.724 41.144 -0.420 1
1 452 . 22 1 1 S 47 47 ASP N N 56 116.559 117.289 -0.730 1
1 453 . 22 1 1 S 48 48 GLU H H 57 7.547 7.804 -0.257 1
1 454 . 22 1 1 S 48 48 GLU HA H 57 3.920 4.118 -0.198 1
1 458 . 22 1 1 S 48 48 GLU CA C 57 40.418 58.491 -18.073 1
1 459 . 22 1 1 S 48 48 GLU CB C 57 29.932 30.006 -0.074 1
1 461 . 22 1 1 S 48 48 GLU N N 57 120.721 119.669 1.052 1
1 462 . 22 1 1 S 49 49 TYR H H 58 8.535 8.221 0.314 1
1 463 . 22 1 1 S 49 49 TYR HA H 58 4.181 4.137 0.044 1
1 468 . 22 1 1 S 49 49 TYR CA C 58 42.353 61.181 -18.828 1
1 469 . 22 1 1 S 49 49 TYR CB C 58 39.530 37.672 1.858 1
1 470 . 22 1 1 S 49 49 TYR N N 58 122.570 119.593 2.977 1
1 471 . 22 1 1 S 50 50 ASN H H 59 8.869 8.022 0.847 1
1 472 . 22 1 1 S 50 50 ASN HA H 59 4.293 4.480 -0.187 1
1 476 . 22 1 1 S 50 50 ASN CA C 59 35.728 56.191 -20.463 1
1 477 . 22 1 1 S 50 50 ASN CB C 59 38.117 38.355 -0.238 1
1 478 . 22 1 1 S 50 50 ASN N N 59 117.484 117.383 0.101 1
1 480 . 22 1 1 S 51 51 ALA H H 60 7.146 7.165 -0.019 1
1 481 . 22 1 1 S 51 51 ALA HA H 60 4.342 4.425 -0.083 1
1 485 . 22 1 1 S 51 51 ALA CA C 60 33.070 52.377 -19.307 1
1 486 . 22 1 1 S 51 51 ALA CB C 60 38.063 20.142 17.921 1
1 487 . 22 1 1 S 51 51 ALA N N 60 120.027 120.137 -0.110 1
1 488 . 22 1 1 S 52 52 LEU H H 61 7.396 7.264 0.132 1
1 489 . 22 1 1 S 52 52 LEU HA H 61 4.338 4.386 -0.048 1
1 499 . 22 1 1 S 52 52 LEU CA C 61 33.941 53.692 -19.751 1
1 500 . 22 1 1 S 52 52 LEU CB C 61 42.540 40.888 1.652 1
1 504 . 22 1 1 S 52 52 LEU N N 61 121.183 121.377 -0.194 1
1 505 . 22 1 1 S 53 53 PRO HA H 62 4.381 4.449 -0.068 1
1 512 . 22 1 1 S 53 53 PRO CA C 62 43.181 62.662 -19.481 1
1 513 . 22 1 1 S 53 53 PRO CB C 62 32.503 32.510 -0.007 1
1 516 . 22 1 1 S 54 54 ALA H H 63 8.847 8.540 0.307 1
1 517 . 22 1 1 S 54 54 ALA HA H 63 3.953 3.942 0.011 1
1 521 . 22 1 1 S 54 54 ALA CA C 63 36.779 53.921 -17.142 1
1 522 . 22 1 1 S 54 54 ALA CB C 63 36.769 18.605 18.164 1
1 523 . 22 1 1 S 54 54 ALA N N 63 126.270 124.966 1.304 1
1 524 . 22 1 1 S 55 55 TRP H H 64 7.875 7.819 0.056 1
1 525 . 22 1 1 S 55 55 TRP HA H 64 4.378 4.387 -0.009 1
1 534 . 22 1 1 S 55 55 TRP CA C 64 39.808 60.051 -20.243 1
1 535 . 22 1 1 S 55 55 TRP CB C 64 45.794 29.315 16.479 1
1 536 . 22 1 1 S 55 55 TRP N N 64 113.553 119.814 -6.261 1
1 538 . 22 1 1 S 56 56 LYS H H 65 6.197 7.665 -1.468 1
1 539 . 22 1 1 S 56 56 LYS HA H 65 3.631 2.385 1.246 1
1 547 . 22 1 1 S 56 56 LYS CA C 65 39.976 58.872 -18.896 1
1 548 . 22 1 1 S 56 56 LYS CB C 65 32.615 31.343 1.272 1
1 551 . 22 1 1 S 56 56 LYS N N 65 122.802 121.701 1.101 1
1 552 . 22 1 1 S 57 57 GLN H H 66 7.521 7.453 0.068 1
1 553 . 22 1 1 S 57 57 GLN HA H 66 3.585 3.046 0.539 1
1 560 . 22 1 1 S 57 57 GLN CA C 66 40.775 57.849 -17.074 1
1 561 . 22 1 1 S 57 57 GLN CB C 66 46.154 27.649 18.505 1
1 563 . 22 1 1 S 57 57 GLN N N 66 120.480 117.151 3.329 1
1 565 . 22 1 1 S 58 58 VAL H H 67 7.775 7.690 0.085 1
1 566 . 22 1 1 S 58 58 VAL HA H 67 3.197 3.426 -0.229 1
1 574 . 22 1 1 S 58 58 VAL CA C 67 29.564 66.129 -36.565 1
1 575 . 22 1 1 S 58 58 VAL CB C 67 31.723 31.640 0.083 1
1 578 . 22 1 1 S 58 58 VAL N N 67 117.021 120.773 -3.752 1
1 579 . 22 1 1 S 59 59 ASN H H 68 7.497 9.247 -1.750 1
1 580 . 22 1 1 S 59 59 ASN HA H 68 4.310 4.500 -0.190 1
1 584 . 22 1 1 S 59 59 ASN CA C 68 37.310 56.541 -19.231 1
1 585 . 22 1 1 S 59 59 ASN CB C 68 37.866 38.322 -0.456 1
1 586 . 22 1 1 S 59 59 ASN N N 68 118.177 118.647 -0.470 1
1 588 . 22 1 1 S 60 60 LEU H H 69 8.144 7.517 0.627 1
1 589 . 22 1 1 S 60 60 LEU HA H 69 4.226 4.108 0.118 1
1 599 . 22 1 1 S 60 60 LEU CA C 69 39.078 56.715 -17.637 1
1 600 . 22 1 1 S 60 60 LEU CB C 69 42.244 41.646 0.598 1
1 603 . 22 1 1 S 60 60 LEU N N 69 122.570 120.159 2.411 1
1 604 . 22 1 1 S 61 61 LYS H H 70 8.190 8.011 0.179 1
1 605 . 22 1 1 S 61 61 LYS HA H 70 3.610 4.038 -0.428 1
1 611 . 22 1 1 S 61 61 LYS CA C 70 43.383 59.909 -16.526 1
1 612 . 22 1 1 S 61 61 LYS CB C 70 32.375 32.213 0.162 1
1 614 . 22 1 1 S 61 61 LYS N N 70 116.790 120.128 -3.338 1
1 615 . 22 1 1 S 62 62 LYS H H 71 8.863 8.352 0.511 1
1 616 . 22 1 1 S 62 62 LYS HA H 71 4.121 4.133 -0.012 1
1 623 . 22 1 1 S 62 62 LYS CA C 71 41.331 59.501 -18.170 1
1 624 . 22 1 1 S 62 62 LYS CB C 71 32.973 32.179 0.794 1
1 628 . 22 1 1 S 62 62 LYS N N 71 119.102 118.900 0.202 1
1 629 . 22 1 1 S 63 63 ALA H H 72 7.734 7.589 0.145 1
1 630 . 22 1 1 S 63 63 ALA HA H 72 4.211 4.129 0.082 1
1 634 . 22 1 1 S 63 63 ALA CA C 72 35.710 54.573 -18.863 1
1 635 . 22 1 1 S 63 63 ALA CB C 72 37.243 18.217 19.026 1
1 636 . 22 1 1 S 63 63 ALA N N 72 121.414 121.426 -0.012 1
1 637 . 22 1 1 S 64 64 LYS H H 73 7.546 7.721 -0.175 1
1 638 . 22 1 1 S 64 64 LYS HA H 73 4.468 4.434 0.034 1
1 644 . 22 1 1 S 64 64 LYS CA C 73 34.628 56.739 -22.111 1
1 645 . 22 1 1 S 64 64 LYS CB C 73 32.588 33.288 -0.700 1
1 646 . 22 1 1 S 64 64 LYS N N 73 114.016 116.728 -2.712 1
1 647 . 22 1 1 S 65 65 GLY H H 74 7.508 7.850 -0.342 1
1 648 . 22 1 1 S 65 65 GLY HA2 H 74 4.260 4.056 0.204 1
1 649 . 22 1 1 S 65 65 GLY HA3 H 74 4.012 4.065 -0.053 1
1 650 . 22 1 1 S 65 65 GLY CA C 74 46.235 45.214 1.021 1
1 651 . 22 1 1 S 65 65 GLY N N 74 105.692 107.587 -1.895 1
1 652 . 22 1 1 S 66 66 LEU H H 75 8.400 7.969 0.431 1
1 653 . 22 1 1 S 66 66 LEU HA H 75 4.519 4.186 0.333 1
1 663 . 22 1 1 S 66 66 LEU CA C 75 34.331 57.337 -23.006 1
1 664 . 22 1 1 S 66 66 LEU CB C 75 42.886 42.516 0.370 1
1 668 . 22 1 1 S 66 66 LEU N N 75 120.952 120.658 0.294 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 19.225 1
3 1 1 1 "RMS(OBS, PRED)" CB 58 11.442 1
4 1 1 1 "RMS(OBS, PRED)" H 54 0.682 1
5 1 1 1 "RMS(OBS, PRED)" HA 62 0.424 1
6 1 1 1 "RMS(OBS, PRED)" N 54 2.884 1
7 1 2 1 "RMS(OBS, PRED)" C 0 0.000 1
8 1 2 1 "RMS(OBS, PRED)" CA 54 19.278 1
9 1 2 1 "RMS(OBS, PRED)" CB 58 11.430 1
10 1 2 1 "RMS(OBS, PRED)" H 54 0.643 1
11 1 2 1 "RMS(OBS, PRED)" HA 62 0.430 1
12 1 2 1 "RMS(OBS, PRED)" N 54 2.951 1
13 1 3 1 "RMS(OBS, PRED)" C 0 0.000 1
14 1 3 1 "RMS(OBS, PRED)" CA 54 19.218 1
15 1 3 1 "RMS(OBS, PRED)" CB 58 11.425 1
16 1 3 1 "RMS(OBS, PRED)" H 54 0.720 1
17 1 3 1 "RMS(OBS, PRED)" HA 62 0.409 1
18 1 3 1 "RMS(OBS, PRED)" N 54 2.914 1
19 1 4 1 "RMS(OBS, PRED)" C 0 0.000 1
20 1 4 1 "RMS(OBS, PRED)" CA 54 19.364 1
21 1 4 1 "RMS(OBS, PRED)" CB 58 11.415 1
22 1 4 1 "RMS(OBS, PRED)" H 54 0.706 1
23 1 4 1 "RMS(OBS, PRED)" HA 62 0.329 1
24 1 4 1 "RMS(OBS, PRED)" N 54 2.809 1
25 1 5 1 "RMS(OBS, PRED)" C 0 0.000 1
26 1 5 1 "RMS(OBS, PRED)" CA 54 19.130 1
27 1 5 1 "RMS(OBS, PRED)" CB 58 11.425 1
28 1 5 1 "RMS(OBS, PRED)" H 54 0.641 1
29 1 5 1 "RMS(OBS, PRED)" HA 62 0.370 1
30 1 5 1 "RMS(OBS, PRED)" N 54 2.797 1
31 1 6 1 "RMS(OBS, PRED)" C 0 0.000 1
32 1 6 1 "RMS(OBS, PRED)" CA 54 19.339 1
33 1 6 1 "RMS(OBS, PRED)" CB 58 11.487 1
34 1 6 1 "RMS(OBS, PRED)" H 54 0.718 1
35 1 6 1 "RMS(OBS, PRED)" HA 62 0.406 1
36 1 6 1 "RMS(OBS, PRED)" N 54 2.775 1
37 1 7 1 "RMS(OBS, PRED)" C 0 0.000 1
38 1 7 1 "RMS(OBS, PRED)" CA 54 19.145 1
39 1 7 1 "RMS(OBS, PRED)" CB 58 11.402 1
40 1 7 1 "RMS(OBS, PRED)" H 54 0.691 1
41 1 7 1 "RMS(OBS, PRED)" HA 62 0.399 1
42 1 7 1 "RMS(OBS, PRED)" N 54 2.889 1
43 1 8 1 "RMS(OBS, PRED)" C 0 0.000 1
44 1 8 1 "RMS(OBS, PRED)" CA 54 19.247 1
45 1 8 1 "RMS(OBS, PRED)" CB 58 11.437 1
46 1 8 1 "RMS(OBS, PRED)" H 54 0.683 1
47 1 8 1 "RMS(OBS, PRED)" HA 62 0.408 1
48 1 8 1 "RMS(OBS, PRED)" N 54 2.985 1
49 1 9 1 "RMS(OBS, PRED)" C 0 0.000 1
50 1 9 1 "RMS(OBS, PRED)" CA 54 19.168 1
51 1 9 1 "RMS(OBS, PRED)" CB 58 11.393 1
52 1 9 1 "RMS(OBS, PRED)" H 54 0.717 1
53 1 9 1 "RMS(OBS, PRED)" HA 62 0.381 1
54 1 9 1 "RMS(OBS, PRED)" N 54 2.904 1
55 1 10 1 "RMS(OBS, PRED)" C 0 0.000 1
56 1 10 1 "RMS(OBS, PRED)" CA 54 19.362 1
57 1 10 1 "RMS(OBS, PRED)" CB 58 11.409 1
58 1 10 1 "RMS(OBS, PRED)" H 54 0.701 1
59 1 10 1 "RMS(OBS, PRED)" HA 62 0.378 1
60 1 10 1 "RMS(OBS, PRED)" N 54 2.966 1
61 1 11 1 "RMS(OBS, PRED)" C 0 0.000 1
62 1 11 1 "RMS(OBS, PRED)" CA 54 19.314 1
63 1 11 1 "RMS(OBS, PRED)" CB 58 11.355 1
64 1 11 1 "RMS(OBS, PRED)" H 54 0.670 1
65 1 11 1 "RMS(OBS, PRED)" HA 62 0.374 1
66 1 11 1 "RMS(OBS, PRED)" N 54 2.900 1
67 1 12 1 "RMS(OBS, PRED)" C 0 0.000 1
68 1 12 1 "RMS(OBS, PRED)" CA 54 19.113 1
69 1 12 1 "RMS(OBS, PRED)" CB 58 11.461 1
70 1 12 1 "RMS(OBS, PRED)" H 54 0.671 1
71 1 12 1 "RMS(OBS, PRED)" HA 62 0.363 1
72 1 12 1 "RMS(OBS, PRED)" N 54 2.915 1
73 1 13 1 "RMS(OBS, PRED)" C 0 0.000 1
74 1 13 1 "RMS(OBS, PRED)" CA 54 19.296 1
75 1 13 1 "RMS(OBS, PRED)" CB 58 11.337 1
76 1 13 1 "RMS(OBS, PRED)" H 54 0.672 1
77 1 13 1 "RMS(OBS, PRED)" HA 62 0.420 1
78 1 13 1 "RMS(OBS, PRED)" N 54 2.861 1
79 1 14 1 "RMS(OBS, PRED)" C 0 0.000 1
80 1 14 1 "RMS(OBS, PRED)" CA 54 19.298 1
81 1 14 1 "RMS(OBS, PRED)" CB 58 11.415 1
82 1 14 1 "RMS(OBS, PRED)" H 54 0.713 1
83 1 14 1 "RMS(OBS, PRED)" HA 62 0.360 1
84 1 14 1 "RMS(OBS, PRED)" N 54 2.810 1
85 1 15 1 "RMS(OBS, PRED)" C 0 0.000 1
86 1 15 1 "RMS(OBS, PRED)" CA 54 19.318 1
87 1 15 1 "RMS(OBS, PRED)" CB 58 11.335 1
88 1 15 1 "RMS(OBS, PRED)" H 54 0.673 1
89 1 15 1 "RMS(OBS, PRED)" HA 62 0.373 1
90 1 15 1 "RMS(OBS, PRED)" N 54 2.813 1
91 1 16 1 "RMS(OBS, PRED)" C 0 0.000 1
92 1 16 1 "RMS(OBS, PRED)" CA 54 19.224 1
93 1 16 1 "RMS(OBS, PRED)" CB 58 11.452 1
94 1 16 1 "RMS(OBS, PRED)" H 54 0.677 1
95 1 16 1 "RMS(OBS, PRED)" HA 62 0.352 1
96 1 16 1 "RMS(OBS, PRED)" N 54 2.843 1
97 1 17 1 "RMS(OBS, PRED)" C 0 0.000 1
98 1 17 1 "RMS(OBS, PRED)" CA 54 19.229 1
99 1 17 1 "RMS(OBS, PRED)" CB 58 11.500 1
100 1 17 1 "RMS(OBS, PRED)" H 54 0.744 1
101 1 17 1 "RMS(OBS, PRED)" HA 62 0.448 1
102 1 17 1 "RMS(OBS, PRED)" N 54 2.903 1
103 1 18 1 "RMS(OBS, PRED)" C 0 0.000 1
104 1 18 1 "RMS(OBS, PRED)" CA 54 19.290 1
105 1 18 1 "RMS(OBS, PRED)" CB 58 11.267 1
106 1 18 1 "RMS(OBS, PRED)" H 54 0.663 1
107 1 18 1 "RMS(OBS, PRED)" HA 62 0.330 1
108 1 18 1 "RMS(OBS, PRED)" N 54 2.936 1
109 1 19 1 "RMS(OBS, PRED)" C 0 0.000 1
110 1 19 1 "RMS(OBS, PRED)" CA 54 19.206 1
111 1 19 1 "RMS(OBS, PRED)" CB 58 11.292 1
112 1 19 1 "RMS(OBS, PRED)" H 54 0.691 1
113 1 19 1 "RMS(OBS, PRED)" HA 62 0.317 1
114 1 19 1 "RMS(OBS, PRED)" N 54 2.662 1
115 1 20 1 "RMS(OBS, PRED)" C 0 0.000 1
116 1 20 1 "RMS(OBS, PRED)" CA 54 19.150 1
117 1 20 1 "RMS(OBS, PRED)" CB 58 11.409 1
118 1 20 1 "RMS(OBS, PRED)" H 54 0.637 1
119 1 20 1 "RMS(OBS, PRED)" HA 62 0.342 1
120 1 20 1 "RMS(OBS, PRED)" N 54 2.964 1
121 1 21 1 "RMS(OBS, PRED)" C 0 0.000 1
122 1 21 1 "RMS(OBS, PRED)" CA 54 19.345 1
123 1 21 1 "RMS(OBS, PRED)" CB 58 11.278 1
124 1 21 1 "RMS(OBS, PRED)" H 54 0.701 1
125 1 21 1 "RMS(OBS, PRED)" HA 62 0.409 1
126 1 21 1 "RMS(OBS, PRED)" N 54 2.931 1
127 1 22 1 "RMS(OBS, PRED)" C 0 0.000 1
128 1 22 1 "RMS(OBS, PRED)" CA 54 19.315 1
129 1 22 1 "RMS(OBS, PRED)" CB 58 11.395 1
130 1 22 1 "RMS(OBS, PRED)" H 54 0.662 1
131 1 22 1 "RMS(OBS, PRED)" HA 62 0.357 1
132 1 22 1 "RMS(OBS, PRED)" N 54 2.831 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 S 6 6 CYS HA H 15 4.540 5.188 -0.648 2
1 4 . 1 1 S 6 6 CYS CB C 15 28.556 30.623 -2.067 2
1 5 . 1 1 S 7 7 LYS HA H 16 4.376 4.856 -0.480 2
1 8 . 1 1 S 7 7 LYS CA C 16 37.775 55.648 -17.873 2
1 9 . 1 1 S 7 7 LYS CB C 16 33.150 34.157 -1.007 2
1 10 . 1 1 S 8 8 THR H H 17 8.305 8.830 -0.525 2
1 11 . 1 1 S 8 8 THR HA H 17 4.320 4.965 -0.645 2
1 16 . 1 1 S 8 8 THR CA C 17 44.017 61.040 -17.023 2
1 17 . 1 1 S 8 8 THR CB C 17 31.886 71.232 -39.346 2
1 19 . 1 1 S 8 8 THR N N 17 115.400 117.651 -2.251 2
1 20 . 1 1 S 9 9 ILE H H 18 7.450 8.892 -1.442 2
1 21 . 1 1 S 9 9 ILE HA H 18 5.077 4.738 0.339 2
1 31 . 1 1 S 9 9 ILE CA C 18 38.964 60.203 -21.239 2
1 32 . 1 1 S 9 9 ILE CB C 18 40.553 39.149 1.404 2
1 36 . 1 1 S 9 9 ILE N N 18 122.802 127.947 -5.145 2
1 37 . 1 1 S 10 10 TYR H H 19 9.151 8.392 0.759 2
1 38 . 1 1 S 10 10 TYR HA H 19 4.927 4.864 0.063 2
1 43 . 1 1 S 10 10 TYR CB C 19 41.335 39.203 2.132 2
1 44 . 1 1 S 10 10 TYR N N 19 124.420 126.896 -2.476 2
1 45 . 1 1 S 11 11 PRO HA H 20 4.496 4.513 -0.017 2
1 52 . 1 1 S 11 11 PRO CA C 20 43.576 63.162 -19.586 2
1 53 . 1 1 S 11 11 PRO CB C 20 32.801 31.961 0.840 2
1 55 . 1 1 S 12 12 LEU H H 21 7.790 8.462 -0.672 2
1 56 . 1 1 S 12 12 LEU HA H 21 3.896 4.017 -0.121 2
1 66 . 1 1 S 12 12 LEU CA C 21 39.620 57.877 -18.257 2
1 67 . 1 1 S 12 12 LEU CB C 21 42.245 41.721 0.524 2
1 71 . 1 1 S 12 12 LEU N N 21 123.727 124.877 -1.150 2
1 72 . 1 1 S 13 13 ALA H H 22 8.995 8.296 0.699 2
1 73 . 1 1 S 13 13 ALA HA H 22 3.943 4.064 -0.121 2
1 77 . 1 1 S 13 13 ALA CA C 22 36.717 55.510 -18.793 2
1 78 . 1 1 S 13 13 ALA CB C 22 37.456 18.136 19.320 2
1 79 . 1 1 S 13 13 ALA N N 22 116.790 121.603 -4.813 2
1 80 . 1 1 S 14 14 ASP H H 23 7.393 8.231 -0.838 2
1 81 . 1 1 S 14 14 ASP HA H 23 4.387 4.441 -0.054 2
1 84 . 1 1 S 14 14 ASP CB C 23 40.902 40.477 0.425 2
1 85 . 1 1 S 14 14 ASP N N 23 115.403 119.239 -3.836 2
1 86 . 1 1 S 15 15 LEU H H 24 7.452 7.500 -0.048 2
1 87 . 1 1 S 15 15 LEU HA H 24 4.281 4.384 -0.103 2
1 97 . 1 1 S 15 15 LEU CA C 24 35.761 55.966 -20.205 2
1 98 . 1 1 S 15 15 LEU CB C 24 41.179 42.596 -1.417 2
1 101 . 1 1 S 15 15 LEU N N 24 116.328 114.840 1.488 2
1 102 . 1 1 S 16 16 LEU H H 25 7.396 8.093 -0.697 2
1 103 . 1 1 S 16 16 LEU HA H 25 4.350 4.311 0.039 2
1 112 . 1 1 S 16 16 LEU CA C 25 36.365 55.971 -19.606 2
1 113 . 1 1 S 16 16 LEU CB C 25 42.493 42.353 0.140 2
1 116 . 1 1 S 16 16 LEU N N 25 116.790 120.783 -3.993 2
1 117 . 1 1 S 17 17 ALA H H 26 6.894 7.527 -0.633 2
1 118 . 1 1 S 17 17 ALA HA H 26 4.349 4.445 -0.096 2
1 122 . 1 1 S 17 17 ALA CB C 26 39.296 18.990 20.306 2
1 123 . 1 1 S 17 17 ALA N N 26 122.802 119.960 2.842 2
1 124 . 1 1 S 18 18 ARG H H 27 8.019 7.471 0.547 2
1 125 . 1 1 S 18 18 ARG HA H 27 4.429 4.864 -0.435 2
1 132 . 1 1 S 18 18 ARG CA C 27 32.436 53.569 -21.133 2
1 133 . 1 1 S 18 18 ARG CB C 27 31.405 33.581 -2.176 2
1 136 . 1 1 S 18 18 ARG N N 27 116.328 116.368 -0.040 2
1 137 . 1 1 S 19 19 PRO HA H 28 4.483 4.430 0.053 2
1 144 . 1 1 S 19 19 PRO CA C 28 43.719 62.811 -19.092 2
1 145 . 1 1 S 19 19 PRO CB C 28 35.007 30.585 4.422 2
1 148 . 1 1 S 20 20 LEU H H 29 8.634 8.349 0.285 2
1 149 . 1 1 S 20 20 LEU HA H 29 4.286 4.730 -0.444 2
1 159 . 1 1 S 20 20 LEU CA C 29 34.887 53.043 -18.156 2
1 160 . 1 1 S 20 20 LEU CB C 29 42.067 41.873 0.194 2
1 163 . 1 1 S 20 20 LEU N N 29 123.033 120.080 2.953 2
1 164 . 1 1 S 21 21 PRO HA H 30 4.273 4.600 -0.327 2
1 171 . 1 1 S 21 21 PRO CA C 30 43.649 62.209 -18.561 2
1 172 . 1 1 S 21 21 PRO CB C 30 31.638 33.139 -1.501 2
1 175 . 1 1 S 22 22 GLU H H 31 8.522 8.808 -0.286 2
1 176 . 1 1 S 22 22 GLU HA H 31 3.988 4.272 -0.284 2
1 180 . 1 1 S 22 22 GLU CA C 31 39.044 58.238 -19.194 2
1 181 . 1 1 S 22 22 GLU CB C 31 29.490 29.819 -0.329 2
1 183 . 1 1 S 22 22 GLU N N 31 123.264 120.826 2.438 2
1 184 . 1 1 S 23 23 GLY H H 32 8.783 8.464 0.319 2
1 185 . 1 1 S 23 23 GLY HA2 H 32 4.177 3.972 0.205 2
1 186 . 1 1 S 23 23 GLY HA3 H 32 3.697 4.056 -0.359 2
1 187 . 1 1 S 23 23 GLY CA C 32 45.506 46.943 -1.437 2
1 188 . 1 1 S 23 23 GLY N N 32 111.472 108.202 3.270 2
1 189 . 1 1 S 24 24 VAL H H 33 6.850 7.720 -0.870 2
1 190 . 1 1 S 24 24 VAL HA H 33 3.805 3.616 0.189 2
1 198 . 1 1 S 24 24 VAL CA C 33 42.632 61.944 -19.312 2
1 199 . 1 1 S 24 24 VAL CB C 33 32.321 31.584 0.736 2
1 202 . 1 1 S 24 24 VAL N N 33 117.021 119.762 -2.741 2
1 203 . 1 1 S 25 25 ASP H H 34 8.276 9.098 -0.822 2
1 206 . 1 1 S 25 25 ASP CB C 34 41.766 41.271 0.495 2
1 207 . 1 1 S 25 25 ASP N N 34 126.270 127.517 -1.247 2
1 208 . 1 1 S 26 26 PRO HA H 35 4.082 4.433 -0.351 2
1 215 . 1 1 S 26 26 PRO CA C 35 44.876 64.872 -19.996 2
1 216 . 1 1 S 26 26 PRO CB C 35 32.282 31.986 0.296 2
1 219 . 1 1 S 27 27 LEU H H 36 8.583 8.298 0.285 2
1 220 . 1 1 S 27 27 LEU HA H 36 4.361 4.420 -0.059 2
1 230 . 1 1 S 27 27 LEU CA C 36 36.955 55.423 -18.468 2
1 231 . 1 1 S 27 27 LEU CB C 36 41.466 41.734 -0.268 2
1 235 . 1 1 S 27 27 LEU N N 36 118.640 115.226 3.414 2
1 236 . 1 1 S 28 28 LYS H H 37 7.838 7.662 0.176 2
1 237 . 1 1 S 28 28 LYS HA H 37 5.037 4.673 0.364 2
1 243 . 1 1 S 28 28 LYS CA C 37 35.415 55.277 -19.862 2
1 244 . 1 1 S 28 28 LYS CB C 37 33.967 33.616 0.351 2
1 247 . 1 1 S 28 28 LYS N N 37 120.258 116.728 3.530 2
1 248 . 1 1 S 29 29 LEU H H 38 8.203 8.473 -0.270 2
1 249 . 1 1 S 29 29 LEU HA H 38 4.266 2.955 1.311 2
1 259 . 1 1 S 29 29 LEU CA C 38 39.317 56.735 -17.418 2
1 262 . 1 1 S 29 29 LEU N N 38 117.021 123.960 -6.939 2
1 263 . 1 1 S 30 30 GLU H H 39 10.041 8.053 1.988 2
1 264 . 1 1 S 30 30 GLU HA H 39 4.086 3.595 0.491 2
1 269 . 1 1 S 30 30 GLU CA C 39 39.629 58.510 -18.881 2
1 270 . 1 1 S 30 30 GLU CB C 39 45.835 28.667 17.168 2
1 272 . 1 1 S 30 30 GLU N N 39 114.478 116.786 -2.308 2
1 273 . 1 1 S 31 31 ILE H H 40 7.920 7.443 0.477 2
1 274 . 1 1 S 31 31 ILE HA H 40 4.266 3.884 0.382 2
1 284 . 1 1 S 31 31 ILE CA C 40 44.411 64.025 -19.613 2
1 285 . 1 1 S 31 31 ILE CB C 40 37.472 37.391 0.081 2
1 289 . 1 1 S 31 31 ILE N N 40 116.790 117.608 -0.818 2
1 290 . 1 1 S 32 32 TYR H H 41 7.426 7.623 -0.197 2
1 291 . 1 1 S 32 32 TYR HA H 41 4.928 4.592 0.336 2
1 296 . 1 1 S 32 32 TYR CB C 41 39.324 38.825 0.499 2
1 297 . 1 1 S 32 32 TYR N N 41 119.565 118.191 1.374 2
1 298 . 1 1 S 33 33 LEU H H 42 6.749 7.288 -0.539 2
1 299 . 1 1 S 33 33 LEU HA H 42 5.266 4.907 0.359 2
1 309 . 1 1 S 33 33 LEU CA C 42 33.953 53.264 -19.311 2
1 310 . 1 1 S 33 33 LEU CB C 42 45.122 44.641 0.481 2
1 314 . 1 1 S 33 33 LEU N N 42 114.709 117.176 -2.467 2
1 315 . 1 1 S 34 34 THR H H 43 9.549 8.751 0.798 2
1 316 . 1 1 S 34 34 THR HA H 43 4.319 4.619 -0.300 2
1 322 . 1 1 S 34 34 THR CA C 43 42.615 61.662 -19.047 2
1 323 . 1 1 S 34 34 THR CB C 43 34.267 70.406 -36.139 2
1 325 . 1 1 S 34 34 THR N N 43 115.172 116.329 -1.157 2
1 326 . 1 1 S 35 35 ASP H H 44 9.173 9.181 -0.008 2
1 327 . 1 1 S 35 35 ASP HA H 44 4.361 4.460 -0.099 2
1 330 . 1 1 S 35 35 ASP CA C 44 39.549 57.052 -17.503 2
1 331 . 1 1 S 35 35 ASP CB C 44 39.585 39.889 -0.304 2
1 332 . 1 1 S 35 35 ASP N N 44 122.339 122.761 -0.422 2
1 333 . 1 1 S 36 36 GLU H H 45 8.781 8.190 0.591 2
1 334 . 1 1 S 36 36 GLU HA H 45 4.119 4.143 -0.024 2
1 339 . 1 1 S 36 36 GLU CA C 45 41.388 59.134 -17.746 2
1 340 . 1 1 S 36 36 GLU CB C 45 29.301 29.455 -0.154 2
1 342 . 1 1 S 36 36 GLU N N 45 118.640 120.291 -1.651 2
1 343 . 1 1 S 37 37 ASP H H 46 7.864 8.059 -0.195 2
1 344 . 1 1 S 37 37 ASP HA H 46 4.726 4.465 0.261 2
1 347 . 1 1 S 37 37 ASP CA C 46 38.055 57.172 -19.117 2
1 348 . 1 1 S 37 37 ASP CB C 46 41.567 40.836 0.731 2
1 349 . 1 1 S 37 37 ASP N N 46 121.646 120.610 1.036 2
1 350 . 1 1 S 38 38 PHE H H 47 9.196 9.140 0.056 2
1 351 . 1 1 S 38 38 PHE HA H 47 3.753 4.093 -0.340 2
1 357 . 1 1 S 38 38 PHE CA C 47 43.221 61.286 -18.065 2
1 358 . 1 1 S 38 38 PHE CB C 47 40.280 38.783 1.497 2
1 359 . 1 1 S 38 38 PHE N N 47 122.802 119.529 3.273 2
1 360 . 1 1 S 39 39 GLU H H 48 8.496 9.471 -0.975 2
1 361 . 1 1 S 39 39 GLU HA H 48 4.413 4.021 0.392 2
1 365 . 1 1 S 39 39 GLU CA C 48 40.140 59.501 -19.361 2
1 366 . 1 1 S 39 39 GLU CB C 48 29.498 29.386 0.112 2
1 368 . 1 1 S 39 39 GLU N N 48 118.177 117.695 0.482 2
1 369 . 1 1 S 40 40 PHE H H 49 7.898 8.074 -0.176 2
1 370 . 1 1 S 40 40 PHE HA H 49 4.320 4.264 0.056 2
1 376 . 1 1 S 40 40 PHE CA C 49 41.713 60.547 -18.834 2
1 377 . 1 1 S 40 40 PHE CB C 49 39.847 39.414 0.432 2
1 378 . 1 1 S 40 40 PHE N N 49 119.565 120.905 -1.340 2
1 379 . 1 1 S 41 41 ALA H H 50 8.637 7.884 0.753 2
1 380 . 1 1 S 41 41 ALA HA H 50 3.947 4.417 -0.470 2
1 384 . 1 1 S 41 41 ALA CA C 50 35.451 53.770 -18.319 2
1 385 . 1 1 S 41 41 ALA CB C 50 39.091 19.721 19.370 2
1 386 . 1 1 S 41 41 ALA N N 50 119.565 121.776 -2.211 2
1 387 . 1 1 S 42 42 LEU H H 51 8.275 8.099 0.176 2
1 388 . 1 1 S 42 42 LEU HA H 51 4.142 4.491 -0.349 2
1 397 . 1 1 S 42 42 LEU CA C 51 35.946 54.319 -18.373 2
1 398 . 1 1 S 42 42 LEU CB C 51 41.238 43.012 -1.774 2
1 402 . 1 1 S 42 42 LEU N N 51 113.553 115.200 -1.647 2
1 403 . 1 1 S 43 43 ASP H H 52 7.841 8.195 -0.354 2
1 404 . 1 1 S 43 43 ASP HA H 52 4.483 4.629 -0.146 2
1 407 . 1 1 S 43 43 ASP CA C 52 36.572 55.462 -18.890 2
1 408 . 1 1 S 43 43 ASP CB C 52 39.869 39.491 0.378 2
1 409 . 1 1 S 43 43 ASP N N 52 115.865 117.197 -1.332 2
1 410 . 1 1 S 44 44 MET H H 53 7.424 7.350 0.074 2
1 411 . 1 1 S 44 44 MET HA H 53 4.753 4.735 0.018 2
1 419 . 1 1 S 44 44 MET CA C 53 36.030 53.195 -17.165 2
1 420 . 1 1 S 44 44 MET CB C 53 34.947 34.834 0.113 2
1 422 . 1 1 S 44 44 MET N N 53 111.703 117.230 -5.527 2
1 423 . 1 1 S 45 45 THR H H 54 8.372 7.889 0.482 2
1 424 . 1 1 S 45 45 THR HA H 54 4.526 4.407 0.119 2
1 429 . 1 1 S 45 45 THR CA C 54 41.951 58.834 -16.883 2
1 430 . 1 1 S 45 45 THR CB C 54 33.933 71.612 -37.679 2
1 432 . 1 1 S 45 45 THR N N 54 107.079 110.998 -3.919 2
1 433 . 1 1 S 46 46 ARG H H 55 8.999 8.468 0.531 2
1 434 . 1 1 S 46 46 ARG HA H 55 3.469 3.630 -0.161 2
1 441 . 1 1 S 46 46 ARG CA C 55 41.154 58.911 -17.757 2
1 442 . 1 1 S 46 46 ARG CB C 55 29.806 29.962 -0.156 2
1 445 . 1 1 S 46 46 ARG N N 55 122.570 122.492 0.078 2
1 447 . 1 1 S 47 47 ASP H H 56 8.199 7.897 0.302 2
1 448 . 1 1 S 47 47 ASP HA H 56 4.334 4.431 -0.097 2
1 451 . 1 1 S 47 47 ASP CB C 56 40.724 40.839 -0.115 2
1 452 . 1 1 S 47 47 ASP N N 56 116.559 117.348 -0.789 2
1 453 . 1 1 S 48 48 GLU H H 57 7.547 7.902 -0.355 2
1 454 . 1 1 S 48 48 GLU HA H 57 3.920 4.156 -0.236 2
1 458 . 1 1 S 48 48 GLU CA C 57 40.418 58.407 -17.989 2
1 459 . 1 1 S 48 48 GLU CB C 57 29.932 30.255 -0.323 2
1 461 . 1 1 S 48 48 GLU N N 57 120.721 119.571 1.150 2
1 462 . 1 1 S 49 49 TYR H H 58 8.535 8.150 0.385 2
1 463 . 1 1 S 49 49 TYR HA H 58 4.181 4.168 0.013 2
1 468 . 1 1 S 49 49 TYR CA C 58 42.353 61.126 -18.773 2
1 469 . 1 1 S 49 49 TYR CB C 58 39.530 37.467 2.063 2
1 470 . 1 1 S 49 49 TYR N N 58 122.570 119.756 2.814 2
1 471 . 1 1 S 50 50 ASN H H 59 8.869 8.370 0.499 2
1 472 . 1 1 S 50 50 ASN HA H 59 4.293 4.500 -0.207 2
1 476 . 1 1 S 50 50 ASN CA C 59 35.728 56.077 -20.349 2
1 477 . 1 1 S 50 50 ASN CB C 59 38.117 38.369 -0.252 2
1 478 . 1 1 S 50 50 ASN N N 59 117.484 117.325 0.159 2
1 480 . 1 1 S 51 51 ALA H H 60 7.146 7.472 -0.326 2
1 481 . 1 1 S 51 51 ALA HA H 60 4.342 4.436 -0.094 2
1 485 . 1 1 S 51 51 ALA CA C 60 33.070 52.348 -19.278 2
1 486 . 1 1 S 51 51 ALA CB C 60 38.063 20.628 17.435 2
1 487 . 1 1 S 51 51 ALA N N 60 120.027 120.025 0.002 2
1 488 . 1 1 S 52 52 LEU H H 61 7.396 7.469 -0.073 2
1 489 . 1 1 S 52 52 LEU HA H 61 4.338 4.381 -0.043 2
1 499 . 1 1 S 52 52 LEU CA C 61 33.941 53.672 -19.731 2
1 500 . 1 1 S 52 52 LEU CB C 61 42.540 40.975 1.565 2
1 504 . 1 1 S 52 52 LEU N N 61 121.183 121.756 -0.573 2
1 505 . 1 1 S 53 53 PRO HA H 62 4.381 4.466 -0.085 2
1 512 . 1 1 S 53 53 PRO CA C 62 43.181 62.830 -19.649 2
1 513 . 1 1 S 53 53 PRO CB C 62 32.503 32.567 -0.064 2
1 516 . 1 1 S 54 54 ALA H H 63 8.847 8.570 0.277 2
1 517 . 1 1 S 54 54 ALA HA H 63 3.953 3.961 -0.008 2
1 521 . 1 1 S 54 54 ALA CA C 63 36.779 54.055 -17.276 2
1 522 . 1 1 S 54 54 ALA CB C 63 36.769 18.647 18.122 2
1 523 . 1 1 S 54 54 ALA N N 63 126.270 125.326 0.944 2
1 524 . 1 1 S 55 55 TRP H H 64 7.875 7.890 -0.015 2
1 525 . 1 1 S 55 55 TRP HA H 64 4.378 4.400 -0.022 2
1 534 . 1 1 S 55 55 TRP CA C 64 39.808 60.026 -20.218 2
1 535 . 1 1 S 55 55 TRP CB C 64 45.794 29.209 16.585 2
1 536 . 1 1 S 55 55 TRP N N 64 113.553 119.949 -6.396 2
1 538 . 1 1 S 56 56 LYS H H 65 6.197 7.635 -1.438 2
1 539 . 1 1 S 56 56 LYS HA H 65 3.631 2.401 1.230 2
1 547 . 1 1 S 56 56 LYS CA C 65 39.976 58.863 -18.887 2
1 548 . 1 1 S 56 56 LYS CB C 65 32.615 31.508 1.107 2
1 551 . 1 1 S 56 56 LYS N N 65 122.802 121.544 1.258 2
1 552 . 1 1 S 57 57 GLN H H 66 7.521 7.581 -0.060 2
1 553 . 1 1 S 57 57 GLN HA H 66 3.585 3.184 0.401 2
1 560 . 1 1 S 57 57 GLN CA C 66 40.775 57.853 -17.078 2
1 561 . 1 1 S 57 57 GLN CB C 66 46.154 27.555 18.599 2
1 563 . 1 1 S 57 57 GLN N N 66 120.480 117.297 3.183 2
1 565 . 1 1 S 58 58 VAL H H 67 7.775 7.760 0.016 2
1 566 . 1 1 S 58 58 VAL HA H 67 3.197 3.515 -0.318 2
1 574 . 1 1 S 58 58 VAL CA C 67 29.564 66.089 -36.525 2
1 575 . 1 1 S 58 58 VAL CB C 67 31.723 31.638 0.085 2
1 578 . 1 1 S 58 58 VAL N N 67 117.021 120.515 -3.494 2
1 579 . 1 1 S 59 59 ASN H H 68 7.497 9.228 -1.731 2
1 580 . 1 1 S 59 59 ASN HA H 68 4.310 4.505 -0.195 2
1 584 . 1 1 S 59 59 ASN CA C 68 37.310 56.456 -19.145 2
1 585 . 1 1 S 59 59 ASN CB C 68 37.866 38.555 -0.689 2
1 586 . 1 1 S 59 59 ASN N N 68 118.177 118.656 -0.479 2
1 588 . 1 1 S 60 60 LEU H H 69 8.144 7.571 0.573 2
1 589 . 1 1 S 60 60 LEU HA H 69 4.226 4.129 0.097 2
1 599 . 1 1 S 60 60 LEU CA C 69 39.078 57.225 -18.147 2
1 600 . 1 1 S 60 60 LEU CB C 69 42.244 41.610 0.634 2
1 603 . 1 1 S 60 60 LEU N N 69 122.570 120.095 2.475 2
1 604 . 1 1 S 61 61 LYS H H 70 8.190 8.043 0.147 2
1 605 . 1 1 S 61 61 LYS HA H 70 3.610 4.002 -0.392 2
1 611 . 1 1 S 61 61 LYS CA C 70 43.383 60.049 -16.666 2
1 612 . 1 1 S 61 61 LYS CB C 70 32.375 32.306 0.069 2
1 614 . 1 1 S 61 61 LYS N N 70 116.790 118.804 -2.014 2
1 615 . 1 1 S 62 62 LYS H H 71 8.863 8.324 0.539 2
1 616 . 1 1 S 62 62 LYS HA H 71 4.121 4.147 -0.026 2
1 623 . 1 1 S 62 62 LYS CA C 71 41.331 59.491 -18.160 2
1 624 . 1 1 S 62 62 LYS CB C 71 32.973 32.263 0.710 2
1 628 . 1 1 S 62 62 LYS N N 71 119.102 119.323 -0.221 2
1 629 . 1 1 S 63 63 ALA H H 72 7.734 7.733 0.001 2
1 630 . 1 1 S 63 63 ALA HA H 72 4.211 4.110 0.101 2
1 634 . 1 1 S 63 63 ALA CA C 72 35.710 54.655 -18.945 2
1 635 . 1 1 S 63 63 ALA CB C 72 37.243 18.482 18.761 2
1 636 . 1 1 S 63 63 ALA N N 72 121.414 121.572 -0.158 2
1 637 . 1 1 S 64 64 LYS H H 73 7.546 7.805 -0.259 2
1 638 . 1 1 S 64 64 LYS HA H 73 4.468 4.392 0.076 2
1 644 . 1 1 S 64 64 LYS CA C 73 34.628 56.436 -21.808 2
1 645 . 1 1 S 64 64 LYS CB C 73 32.588 33.337 -0.749 2
1 646 . 1 1 S 64 64 LYS N N 73 114.016 116.259 -2.243 2
1 647 . 1 1 S 65 65 GLY H H 74 7.508 8.216 -0.708 2
1 648 . 1 1 S 65 65 GLY HA2 H 74 4.260 4.070 0.190 2
1 649 . 1 1 S 65 65 GLY HA3 H 74 4.012 4.084 -0.072 2
1 650 . 1 1 S 65 65 GLY CA C 74 46.235 45.450 0.785 2
1 651 . 1 1 S 65 65 GLY N N 74 105.692 107.540 -1.848 2
1 652 . 1 1 S 66 66 LEU H H 75 8.400 8.156 0.244 2
1 653 . 1 1 S 66 66 LEU HA H 75 4.519 4.209 0.310 2
1 663 . 1 1 S 66 66 LEU CA C 75 34.331 57.480 -23.149 2
1 664 . 1 1 S 66 66 LEU CB C 75 42.886 42.269 0.617 2
1 668 . 1 1 S 66 66 LEU N N 75 120.952 120.616 0.336 2
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