data_10250_sparta save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10250 _Entry.PDB_ID 1X1F _Entry.NMR_STAR_version 3.0.9.100 save_ save_delta_chem_shifts_single _Entity_delta_chem_shifts.Sf_category delta_chem_shifts _Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_single _Entity_delta_chem_shifts.Conformer_type "single" _Entity_delta_chem_shifts.Conformer_count 20 _Entity_delta_chem_shifts.Best_conformer 1 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Assigned_chem_shift_list_ID _Delta_CS.Atom_chem_shift_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Conformer_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.PDB_asym_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entity_delta_chem_shifts_ID 1 1 . 1 1 1 A 8 8 GLN HA H 8 4.221 4.891 -0.670 1 1 8 . 1 1 1 A 8 8 GLN CA C 8 56.851 54.565 2.286 1 1 9 . 1 1 1 A 8 8 GLN CB C 8 28.887 31.020 -2.133 1 1 12 . 1 1 1 A 9 9 GLU H H 9 8.480 8.990 -0.510 1 1 13 . 1 1 1 A 9 9 GLU HA H 9 4.166 4.830 -0.664 1 1 18 . 1 1 1 A 9 9 GLU CA C 9 58.333 55.209 3.124 1 1 19 . 1 1 1 A 9 9 GLU CB C 9 29.545 30.093 -0.548 1 1 21 . 1 1 1 A 9 9 GLU N N 9 121.149 123.668 -2.519 1 1 22 . 1 1 1 A 10 10 ARG H H 10 8.336 8.665 -0.329 1 1 23 . 1 1 1 A 10 10 ARG HA H 10 4.131 4.836 -0.705 1 1 30 . 1 1 1 A 10 10 ARG C C 10 177.350 174.857 2.493 1 1 31 . 1 1 1 A 10 10 ARG CA C 10 57.731 54.806 2.925 1 1 32 . 1 1 1 A 10 10 ARG CB C 10 30.061 31.352 -1.291 1 1 35 . 1 1 1 A 10 10 ARG N N 10 120.177 124.757 -4.580 1 1 36 . 1 1 1 A 11 11 LEU H H 11 7.741 8.703 -0.962 1 1 37 . 1 1 1 A 11 11 LEU HA H 11 4.219 4.779 -0.560 1 1 44 . 1 1 1 A 11 11 LEU CA C 11 56.781 53.507 3.274 1 1 45 . 1 1 1 A 11 11 LEU CB C 11 41.875 43.529 -1.654 1 1 49 . 1 1 1 A 11 11 LEU N N 11 120.410 125.926 -5.516 1 1 50 . 1 1 1 A 12 12 LYS H H 12 7.816 8.927 -1.111 1 1 51 . 1 1 1 A 12 12 LYS HA H 12 4.091 4.405 -0.314 1 1 60 . 1 1 1 A 12 12 LYS CA C 12 58.234 57.218 1.016 1 1 61 . 1 1 1 A 12 12 LYS CB C 12 32.530 34.102 -1.572 1 1 65 . 1 1 1 A 12 12 LYS N N 12 119.365 122.542 -3.177 1 1 66 . 1 1 1 A 13 13 ILE H H 13 7.851 7.798 0.053 1 1 67 . 1 1 1 A 13 13 ILE HA H 13 3.951 4.566 -0.615 1 1 77 . 1 1 1 A 13 13 ILE C C 13 176.914 175.270 1.644 1 1 78 . 1 1 1 A 13 13 ILE CA C 13 62.713 60.424 2.289 1 1 79 . 1 1 1 A 13 13 ILE CB C 13 38.264 39.303 -1.039 1 1 83 . 1 1 1 A 14 14 THR H H 14 7.750 8.796 -1.046 1 1 84 . 1 1 1 A 14 14 THR HA H 14 4.021 4.515 -0.494 1 1 88 . 1 1 1 A 14 14 THR C C 14 174.818 175.569 -0.751 1 1 89 . 1 1 1 A 14 14 THR CA C 14 63.172 63.755 -0.583 1 1 90 . 1 1 1 A 14 14 THR CB C 14 68.985 69.806 -0.821 1 1 92 . 1 1 1 A 14 14 THR N N 14 110.999 120.290 -9.291 1 1 93 . 1 1 1 A 15 15 ALA H H 15 7.922 7.979 -0.057 1 1 94 . 1 1 1 A 15 15 ALA HA H 15 4.141 4.488 -0.347 1 1 98 . 1 1 1 A 15 15 ALA C C 15 177.593 176.284 1.309 1 1 99 . 1 1 1 A 15 15 ALA CA C 15 53.007 53.276 -0.269 1 1 100 . 1 1 1 A 15 15 ALA CB C 15 18.747 20.870 -2.123 1 1 101 . 1 1 1 A 15 15 ALA N N 15 122.429 119.501 2.928 1 1 102 . 1 1 1 A 16 16 LEU H H 16 7.442 7.753 -0.311 1 1 103 . 1 1 1 A 16 16 LEU HA H 16 4.653 4.744 -0.091 1 1 112 . 1 1 1 A 16 16 LEU C C 16 173.182 174.347 -1.165 1 1 113 . 1 1 1 A 16 16 LEU CA C 16 51.524 51.409 0.115 1 1 114 . 1 1 1 A 16 16 LEU CB C 16 45.831 43.912 1.919 1 1 118 . 1 1 1 A 16 16 LEU N N 16 120.226 116.443 3.783 1 1 119 . 1 1 1 A 17 17 PRO HA H 17 4.140 4.630 -0.490 1 1 126 . 1 1 1 A 17 17 PRO C C 17 174.296 176.065 -1.769 1 1 127 . 1 1 1 A 17 17 PRO CA C 17 62.007 62.276 -0.269 1 1 128 . 1 1 1 A 17 17 PRO CB C 17 32.013 32.446 -0.433 1 1 131 . 1 1 1 A 18 18 LEU H H 18 8.071 8.241 -0.170 1 1 132 . 1 1 1 A 18 18 LEU HA H 18 4.097 4.068 0.029 1 1 142 . 1 1 1 A 18 18 LEU C C 18 176.974 175.460 1.514 1 1 143 . 1 1 1 A 18 18 LEU CA C 18 55.043 55.225 -0.182 1 1 144 . 1 1 1 A 18 18 LEU CB C 18 42.376 42.471 -0.095 1 1 148 . 1 1 1 A 18 18 LEU N N 18 119.963 123.540 -3.577 1 1 149 . 1 1 1 A 19 19 TYR H H 19 9.108 8.823 0.285 1 1 150 . 1 1 1 A 19 19 TYR HA H 19 5.121 4.691 0.430 1 1 157 . 1 1 1 A 19 19 TYR C C 19 174.515 175.631 -1.116 1 1 158 . 1 1 1 A 19 19 TYR CA C 19 55.160 59.086 -3.926 1 1 159 . 1 1 1 A 19 19 TYR CB C 19 39.292 40.703 -1.411 1 1 164 . 1 1 1 A 19 19 TYR N N 19 127.955 122.853 5.102 1 1 165 . 1 1 1 A 20 20 PHE H H 20 7.560 7.417 0.143 1 1 166 . 1 1 1 A 20 20 PHE HA H 20 4.281 4.521 -0.240 1 1 174 . 1 1 1 A 20 20 PHE C C 20 171.170 173.040 -1.870 1 1 175 . 1 1 1 A 20 20 PHE CA C 20 57.031 57.124 -0.093 1 1 176 . 1 1 1 A 20 20 PHE CB C 20 40.937 41.806 -0.869 1 1 182 . 1 1 1 A 20 20 PHE N N 20 115.328 116.230 -0.902 1 1 183 . 1 1 1 A 21 21 GLU H H 21 5.556 7.884 -2.328 1 1 184 . 1 1 1 A 21 21 GLU HA H 21 5.191 4.782 0.409 1 1 189 . 1 1 1 A 21 21 GLU C C 21 173.024 174.091 -1.067 1 1 190 . 1 1 1 A 21 21 GLU CA C 21 53.025 54.396 -1.371 1 1 191 . 1 1 1 A 21 21 GLU CB C 21 31.760 32.923 -1.163 1 1 193 . 1 1 1 A 21 21 GLU N N 21 118.643 121.283 -2.640 1 1 194 . 1 1 1 A 22 22 GLY H H 22 7.721 7.166 0.555 1 1 195 . 1 1 1 A 22 22 GLY HA2 H 22 4.024 4.038 -0.014 1 1 196 . 1 1 1 A 22 22 GLY HA3 H 22 3.107 4.055 -0.948 1 1 197 . 1 1 1 A 22 22 GLY C C 22 171.994 171.845 0.149 1 1 198 . 1 1 1 A 22 22 GLY CA C 22 45.013 45.453 -0.440 1 1 199 . 1 1 1 A 22 22 GLY N N 22 106.155 106.430 -0.275 1 1 200 . 1 1 1 A 23 23 PHE H H 23 8.881 8.743 0.138 1 1 201 . 1 1 1 A 23 23 PHE HA H 23 5.303 4.516 0.787 1 1 209 . 1 1 1 A 23 23 PHE C C 23 176.926 175.027 1.899 1 1 210 . 1 1 1 A 23 23 PHE CA C 23 60.013 59.574 0.439 1 1 211 . 1 1 1 A 23 23 PHE CB C 23 40.937 39.242 1.695 1 1 217 . 1 1 1 A 23 23 PHE N N 23 119.442 120.911 -1.469 1 1 218 . 1 1 1 A 24 24 LEU H H 24 9.072 8.477 0.595 1 1 219 . 1 1 1 A 24 24 LEU HA H 24 4.562 5.040 -0.478 1 1 229 . 1 1 1 A 24 24 LEU C C 24 174.406 174.496 -0.090 1 1 230 . 1 1 1 A 24 24 LEU CA C 24 54.437 53.536 0.901 1 1 231 . 1 1 1 A 24 24 LEU CB C 24 48.381 45.115 3.266 1 1 235 . 1 1 1 A 24 24 LEU N N 24 122.488 126.095 -3.607 1 1 236 . 1 1 1 A 25 25 LEU H H 25 8.120 8.883 -0.763 1 1 237 . 1 1 1 A 25 25 LEU HA H 25 5.480 5.489 -0.009 1 1 247 . 1 1 1 A 25 25 LEU C C 25 176.175 175.724 0.451 1 1 248 . 1 1 1 A 25 25 LEU CA C 25 54.242 53.374 0.868 1 1 249 . 1 1 1 A 25 25 LEU CB C 25 42.576 42.683 -0.107 1 1 253 . 1 1 1 A 25 25 LEU N N 25 120.790 126.151 -5.361 1 1 254 . 1 1 1 A 26 26 ILE H H 26 9.110 9.064 0.046 1 1 255 . 1 1 1 A 26 26 ILE HA H 26 5.232 4.694 0.538 1 1 265 . 1 1 1 A 26 26 ILE C C 26 174.757 174.570 0.187 1 1 266 . 1 1 1 A 26 26 ILE CA C 26 57.613 59.284 -1.671 1 1 267 . 1 1 1 A 26 26 ILE CB C 26 41.343 39.998 1.345 1 1 271 . 1 1 1 A 26 26 ILE N N 26 120.679 125.020 -4.341 1 1 272 . 1 1 1 A 27 27 LYS H H 27 9.150 8.143 1.007 1 1 273 . 1 1 1 A 27 27 LYS HA H 27 4.425 4.289 0.136 1 1 282 . 1 1 1 A 27 27 LYS C C 27 175.557 174.193 1.364 1 1 283 . 1 1 1 A 27 27 LYS CA C 27 56.095 54.879 1.216 1 1 284 . 1 1 1 A 27 27 LYS CB C 27 35.056 34.848 0.208 1 1 288 . 1 1 1 A 27 27 LYS N N 27 127.778 125.615 2.163 1 1 289 . 1 1 1 A 28 28 ARG H H 28 5.868 8.511 -2.643 1 1 290 . 1 1 1 A 28 28 ARG HA H 28 4.429 4.821 -0.392 1 1 298 . 1 1 1 A 28 28 ARG C C 28 176.078 175.342 0.736 1 1 299 . 1 1 1 A 28 28 ARG CA C 28 54.542 53.912 0.630 1 1 300 . 1 1 1 A 28 28 ARG CB C 28 31.602 34.235 -2.633 1 1 303 . 1 1 1 A 28 28 ARG N N 28 124.548 125.556 -1.008 1 1 305 . 1 1 1 A 29 29 SER H H 29 9.067 8.702 0.365 1 1 306 . 1 1 1 A 29 29 SER HA H 29 4.181 4.183 -0.002 1 1 309 . 1 1 1 A 29 29 SER C C 29 176.066 175.200 0.866 1 1 310 . 1 1 1 A 29 29 SER CA C 29 61.019 60.071 0.948 1 1 311 . 1 1 1 A 29 29 SER CB C 29 63.057 62.483 0.574 1 1 312 . 1 1 1 A 29 29 SER N N 29 116.823 118.528 -1.705 1 1 313 . 1 1 1 A 30 30 GLY HA2 H 30 3.810 3.934 -0.124 1 1 314 . 1 1 1 A 30 30 GLY HA3 H 30 4.172 3.955 0.217 1 1 315 . 1 1 1 A 30 30 GLY CA C 30 45.171 45.304 -0.133 1 1 316 . 1 1 1 A 31 31 TYR H H 31 8.001 8.983 -0.982 1 1 317 . 1 1 1 A 31 31 TYR HA H 31 4.729 4.436 0.293 1 1 324 . 1 1 1 A 31 31 TYR CB C 31 37.249 38.356 -1.107 1 1 329 . 1 1 1 A 31 31 TYR N N 31 121.120 121.197 -0.077 1 1 330 . 1 1 1 A 32 32 ARG HA H 32 4.204 4.130 0.074 1 1 337 . 1 1 1 A 32 32 ARG C C 32 176.066 174.862 1.204 1 1 338 . 1 1 1 A 32 32 ARG CA C 32 57.631 57.940 -0.309 1 1 339 . 1 1 1 A 32 32 ARG CB C 32 30.861 29.945 0.916 1 1 342 . 1 1 1 A 33 33 GLU H H 33 7.700 7.968 -0.268 1 1 343 . 1 1 1 A 33 33 GLU HA H 33 4.600 4.742 -0.142 1 1 348 . 1 1 1 A 33 33 GLU C C 33 175.569 175.383 0.186 1 1 349 . 1 1 1 A 33 33 GLU CA C 33 53.695 54.963 -1.268 1 1 350 . 1 1 1 A 33 33 GLU CB C 33 33.000 32.035 0.965 1 1 352 . 1 1 1 A 33 33 GLU N N 33 115.988 117.476 -1.488 1 1 353 . 1 1 1 A 34 34 TYR H H 34 8.755 8.704 0.051 1 1 354 . 1 1 1 A 34 34 TYR HA H 34 4.311 4.527 -0.216 1 1 361 . 1 1 1 A 34 34 TYR C C 34 176.999 175.588 1.411 1 1 362 . 1 1 1 A 34 34 TYR CA C 34 59.537 59.626 -0.089 1 1 363 . 1 1 1 A 34 34 TYR CB C 34 39.744 39.320 0.424 1 1 368 . 1 1 1 A 34 34 TYR N N 34 118.663 123.950 -5.287 1 1 369 . 1 1 1 A 35 35 GLU H H 35 9.024 9.096 -0.072 1 1 370 . 1 1 1 A 35 35 GLU HA H 35 4.401 4.737 -0.336 1 1 375 . 1 1 1 A 35 35 GLU C C 35 174.406 175.280 -0.874 1 1 376 . 1 1 1 A 35 35 GLU CA C 35 54.330 55.952 -1.622 1 1 377 . 1 1 1 A 35 35 GLU CB C 35 31.972 30.826 1.146 1 1 379 . 1 1 1 A 35 35 GLU N N 35 122.488 122.006 0.482 1 1 380 . 1 1 1 A 36 36 HIS H H 36 8.639 8.737 -0.098 1 1 381 . 1 1 1 A 36 36 HIS HA H 36 4.980 5.203 -0.223 1 1 386 . 1 1 1 A 36 36 HIS C C 36 174.127 173.410 0.717 1 1 387 . 1 1 1 A 36 36 HIS CA C 36 55.607 54.421 1.186 1 1 388 . 1 1 1 A 36 36 HIS CB C 36 31.396 32.874 -1.478 1 1 391 . 1 1 1 A 36 36 HIS N N 36 123.767 123.219 0.548 1 1 392 . 1 1 1 A 37 37 TYR H H 37 8.931 8.224 0.707 1 1 393 . 1 1 1 A 37 37 TYR HA H 37 5.668 4.797 0.871 1 1 400 . 1 1 1 A 37 37 TYR C C 37 177.969 174.485 3.484 1 1 401 . 1 1 1 A 37 37 TYR CA C 37 55.407 56.864 -1.457 1 1 402 . 1 1 1 A 37 37 TYR CB C 37 42.089 42.220 -0.131 1 1 407 . 1 1 1 A 37 37 TYR N N 37 124.075 124.126 -0.051 1 1 408 . 1 1 1 A 38 38 TRP H H 38 8.931 9.571 -0.640 1 1 409 . 1 1 1 A 38 38 TRP HA H 38 4.329 4.955 -0.626 1 1 418 . 1 1 1 A 38 38 TRP C C 38 174.345 175.477 -1.132 1 1 419 . 1 1 1 A 38 38 TRP CA C 38 58.230 56.263 1.967 1 1 420 . 1 1 1 A 38 38 TRP CB C 38 28.846 29.448 -0.602 1 1 426 . 1 1 1 A 38 38 TRP N N 38 125.317 126.449 -1.132 1 1 428 . 1 1 1 A 39 39 THR H H 39 8.366 8.556 -0.190 1 1 429 . 1 1 1 A 39 39 THR HA H 39 5.535 5.134 0.401 1 1 434 . 1 1 1 A 39 39 THR C C 39 173.303 174.298 -0.995 1 1 435 . 1 1 1 A 39 39 THR CA C 39 62.037 62.714 -0.677 1 1 436 . 1 1 1 A 39 39 THR CB C 39 70.295 70.170 0.125 1 1 438 . 1 1 1 A 39 39 THR N N 39 127.024 122.972 4.052 1 1 439 . 1 1 1 A 40 40 GLU H H 40 8.902 9.885 -0.983 1 1 440 . 1 1 1 A 40 40 GLU HA H 40 4.816 4.830 -0.014 1 1 445 . 1 1 1 A 40 40 GLU C C 40 175.351 174.732 0.619 1 1 446 . 1 1 1 A 40 40 GLU CA C 40 53.607 54.789 -1.182 1 1 447 . 1 1 1 A 40 40 GLU CB C 40 34.639 33.390 1.249 1 1 449 . 1 1 1 A 40 40 GLU N N 40 120.613 124.721 -4.108 1 1 450 . 1 1 1 A 41 41 LEU H H 41 8.910 8.486 0.424 1 1 451 . 1 1 1 A 41 41 LEU HA H 41 5.168 5.150 0.018 1 1 461 . 1 1 1 A 41 41 LEU C C 41 174.806 174.947 -0.141 1 1 462 . 1 1 1 A 41 41 LEU CA C 41 53.872 54.512 -0.640 1 1 463 . 1 1 1 A 41 41 LEU CB C 41 43.610 43.168 0.442 1 1 467 . 1 1 1 A 41 41 LEU N N 41 123.682 127.395 -3.713 1 1 468 . 1 1 1 A 42 42 ARG H H 42 9.150 8.413 0.737 1 1 469 . 1 1 1 A 42 42 ARG HA H 42 5.182 4.384 0.798 1 1 474 . 1 1 1 A 42 42 ARG C C 42 176.272 176.343 -0.071 1 1 475 . 1 1 1 A 42 42 ARG CA C 42 53.643 54.739 -1.096 1 1 476 . 1 1 1 A 42 42 ARG CB C 42 33.205 33.127 0.078 1 1 479 . 1 1 1 A 42 42 ARG N N 42 127.645 125.959 1.686 1 1 480 . 1 1 1 A 43 43 GLY H H 43 6.304 7.827 -1.523 1 1 481 . 1 1 1 A 43 43 GLY HA2 H 43 3.917 3.908 0.009 1 1 482 . 1 1 1 A 43 43 GLY HA3 H 43 3.812 4.110 -0.298 1 1 483 . 1 1 1 A 43 43 GLY C C 43 171.630 174.690 -3.060 1 1 484 . 1 1 1 A 43 43 GLY CA C 43 47.025 47.398 -0.373 1 1 485 . 1 1 1 A 43 43 GLY N N 43 112.565 113.352 -0.787 1 1 486 . 1 1 1 A 44 44 THR H H 44 7.841 8.124 -0.283 1 1 487 . 1 1 1 A 44 44 THR HA H 44 4.313 4.753 -0.440 1 1 492 . 1 1 1 A 44 44 THR C C 44 172.515 173.614 -1.099 1 1 493 . 1 1 1 A 44 44 THR CA C 44 60.207 60.903 -0.696 1 1 494 . 1 1 1 A 44 44 THR CB C 44 68.320 70.083 -1.763 1 1 496 . 1 1 1 A 44 44 THR N N 44 111.769 117.836 -6.067 1 1 497 . 1 1 1 A 45 45 THR H H 45 8.500 8.063 0.437 1 1 498 . 1 1 1 A 45 45 THR HA H 45 4.664 4.773 -0.109 1 1 503 . 1 1 1 A 45 45 THR C C 45 172.224 173.442 -1.218 1 1 504 . 1 1 1 A 45 45 THR CA C 45 62.413 61.665 0.748 1 1 505 . 1 1 1 A 45 45 THR CB C 45 69.848 70.724 -0.876 1 1 507 . 1 1 1 A 45 45 THR N N 45 118.681 117.268 1.413 1 1 508 . 1 1 1 A 46 46 LEU H H 46 8.391 8.732 -0.341 1 1 509 . 1 1 1 A 46 46 LEU HA H 46 4.892 4.574 0.318 1 1 519 . 1 1 1 A 46 46 LEU C C 46 174.260 175.447 -1.187 1 1 520 . 1 1 1 A 46 46 LEU CA C 46 52.654 54.232 -1.578 1 1 521 . 1 1 1 A 46 46 LEU CB C 46 42.911 42.155 0.756 1 1 525 . 1 1 1 A 46 46 LEU N N 46 125.559 128.342 -2.783 1 1 526 . 1 1 1 A 47 47 PHE H H 47 9.131 9.263 -0.132 1 1 527 . 1 1 1 A 47 47 PHE HA H 47 3.940 4.639 -0.699 1 1 535 . 1 1 1 A 47 47 PHE C C 47 173.363 174.310 -0.947 1 1 536 . 1 1 1 A 47 47 PHE CA C 47 57.454 55.929 1.525 1 1 537 . 1 1 1 A 47 47 PHE CB C 47 42.747 40.719 2.028 1 1 543 . 1 1 1 A 47 47 PHE N N 47 121.095 123.411 -2.316 1 1 544 . 1 1 1 A 48 48 PHE H H 48 7.881 9.031 -1.150 1 1 545 . 1 1 1 A 48 48 PHE HA H 48 5.021 5.324 -0.303 1 1 553 . 1 1 1 A 48 48 PHE C C 48 173.727 175.010 -1.283 1 1 554 . 1 1 1 A 48 48 PHE CA C 48 56.166 55.683 0.483 1 1 555 . 1 1 1 A 48 48 PHE CB C 48 39.169 40.568 -1.399 1 1 561 . 1 1 1 A 48 48 PHE N N 48 120.063 122.719 -2.656 1 1 562 . 1 1 1 A 49 49 TYR H H 49 9.972 9.873 0.099 1 1 563 . 1 1 1 A 49 49 TYR HA H 49 5.190 5.162 0.028 1 1 570 . 1 1 1 A 49 49 TYR C C 49 176.587 176.015 0.572 1 1 571 . 1 1 1 A 49 49 TYR CA C 49 56.254 56.870 -0.616 1 1 572 . 1 1 1 A 49 49 TYR CB C 49 41.842 43.223 -1.381 1 1 577 . 1 1 1 A 49 49 TYR N N 49 121.415 121.481 -0.066 1 1 578 . 1 1 1 A 50 50 THR H H 50 9.511 8.999 0.512 1 1 579 . 1 1 1 A 50 50 THR HA H 50 4.571 4.855 -0.284 1 1 584 . 1 1 1 A 50 50 THR C C 50 174.793 175.053 -0.260 1 1 585 . 1 1 1 A 50 50 THR CA C 50 65.361 62.543 2.818 1 1 586 . 1 1 1 A 50 50 THR CB C 50 69.043 70.048 -1.005 1 1 588 . 1 1 1 A 50 50 THR N N 50 114.446 113.235 1.211 1 1 589 . 1 1 1 A 51 51 ASP H H 51 7.828 7.868 -0.040 1 1 590 . 1 1 1 A 51 51 ASP HA H 51 4.803 5.046 -0.243 1 1 593 . 1 1 1 A 51 51 ASP C C 51 174.685 176.331 -1.646 1 1 594 . 1 1 1 A 51 51 ASP CA C 51 53.254 53.160 0.094 1 1 595 . 1 1 1 A 51 51 ASP CB C 51 43.586 45.154 -1.568 1 1 596 . 1 1 1 A 51 51 ASP N N 51 115.656 119.918 -4.262 1 1 597 . 1 1 1 A 52 52 LYS H H 52 8.271 8.607 -0.336 1 1 598 . 1 1 1 A 52 52 LYS HA H 52 2.800 3.785 -0.985 1 1 607 . 1 1 1 A 52 52 LYS C C 52 176.671 178.104 -1.433 1 1 608 . 1 1 1 A 52 52 LYS CA C 52 58.372 59.203 -0.831 1 1 609 . 1 1 1 A 52 52 LYS CB C 52 32.178 31.655 0.523 1 1 613 . 1 1 1 A 52 52 LYS N N 52 119.009 121.790 -2.781 1 1 614 . 1 1 1 A 53 53 LYS H H 53 8.068 7.803 0.265 1 1 615 . 1 1 1 A 53 53 LYS HA H 53 4.109 4.064 0.045 1 1 624 . 1 1 1 A 53 53 LYS C C 53 176.950 177.754 -0.804 1 1 625 . 1 1 1 A 53 53 LYS CA C 53 55.830 59.125 -3.295 1 1 626 . 1 1 1 A 53 53 LYS CB C 53 32.301 32.019 0.282 1 1 630 . 1 1 1 A 53 53 LYS N N 53 116.395 118.587 -2.192 1 1 631 . 1 1 1 A 54 54 SER H H 54 7.549 7.746 -0.197 1 1 632 . 1 1 1 A 54 54 SER HA H 54 4.316 4.358 -0.042 1 1 635 . 1 1 1 A 54 54 SER C C 54 174.394 173.992 0.402 1 1 636 . 1 1 1 A 54 54 SER CA C 54 59.395 60.639 -1.244 1 1 637 . 1 1 1 A 54 54 SER CB C 54 64.337 63.893 0.444 1 1 638 . 1 1 1 A 54 54 SER N N 54 116.653 114.717 1.936 1 1 639 . 1 1 1 A 55 55 ILE H H 55 8.424 9.158 -0.734 1 1 640 . 1 1 1 A 55 55 ILE HA H 55 4.267 4.248 0.019 1 1 650 . 1 1 1 A 55 55 ILE C C 55 174.999 176.188 -1.189 1 1 651 . 1 1 1 A 55 55 ILE CA C 55 62.213 62.577 -0.364 1 1 652 . 1 1 1 A 55 55 ILE CB C 55 38.728 38.657 0.071 1 1 656 . 1 1 1 A 55 55 ILE N N 55 118.660 126.119 -7.459 1 1 657 . 1 1 1 A 56 56 ILE H H 56 7.771 7.677 0.094 1 1 658 . 1 1 1 A 56 56 ILE HA H 56 4.561 4.311 0.250 1 1 668 . 1 1 1 A 56 56 ILE C C 56 175.266 174.844 0.422 1 1 669 . 1 1 1 A 56 56 ILE CA C 56 59.342 60.411 -1.069 1 1 670 . 1 1 1 A 56 56 ILE CB C 56 39.506 38.119 1.387 1 1 674 . 1 1 1 A 56 56 ILE N N 56 119.568 120.542 -0.974 1 1 675 . 1 1 1 A 57 57 TYR H H 57 7.251 8.733 -1.482 1 1 676 . 1 1 1 A 57 57 TYR HA H 57 4.261 4.079 0.182 1 1 683 . 1 1 1 A 57 57 TYR C C 57 174.902 176.287 -1.385 1 1 684 . 1 1 1 A 57 57 TYR CA C 57 56.201 57.480 -1.279 1 1 685 . 1 1 1 A 57 57 TYR CB C 57 37.230 38.644 -1.414 1 1 690 . 1 1 1 A 58 58 VAL H H 58 9.157 8.454 0.703 1 1 691 . 1 1 1 A 58 58 VAL HA H 58 4.251 3.922 0.329 1 1 699 . 1 1 1 A 58 58 VAL C C 58 175.812 174.637 1.175 1 1 700 . 1 1 1 A 58 58 VAL CA C 58 62.360 64.910 -2.550 1 1 701 . 1 1 1 A 58 58 VAL CB C 58 33.123 32.316 0.807 1 1 704 . 1 1 1 A 58 58 VAL N N 58 116.888 121.818 -4.930 1 1 705 . 1 1 1 A 59 59 ASP H H 59 7.990 7.533 0.457 1 1 706 . 1 1 1 A 59 59 ASP HA H 59 4.970 5.126 -0.156 1 1 709 . 1 1 1 A 59 59 ASP C C 59 172.346 173.559 -1.213 1 1 710 . 1 1 1 A 59 59 ASP CA C 59 52.601 53.849 -1.248 1 1 711 . 1 1 1 A 59 59 ASP CB C 59 42.952 44.040 -1.088 1 1 712 . 1 1 1 A 59 59 ASP N N 59 117.301 119.320 -2.019 1 1 713 . 1 1 1 A 60 60 LYS H H 60 8.991 8.766 0.225 1 1 714 . 1 1 1 A 60 60 LYS HA H 60 4.761 4.286 0.475 1 1 723 . 1 1 1 A 60 60 LYS C C 60 173.666 174.421 -0.755 1 1 724 . 1 1 1 A 60 60 LYS CA C 60 54.718 53.759 0.959 1 1 725 . 1 1 1 A 60 60 LYS CB C 60 35.097 35.495 -0.398 1 1 729 . 1 1 1 A 60 60 LYS N N 60 118.648 117.468 1.180 1 1 730 . 1 1 1 A 61 61 LEU H H 61 8.702 9.115 -0.413 1 1 731 . 1 1 1 A 61 61 LEU HA H 61 4.462 4.703 -0.241 1 1 741 . 1 1 1 A 61 61 LEU C C 61 173.630 174.849 -1.219 1 1 742 . 1 1 1 A 61 61 LEU CA C 61 54.065 52.972 1.093 1 1 743 . 1 1 1 A 61 61 LEU CB C 61 47.032 44.354 2.678 1 1 747 . 1 1 1 A 61 61 LEU N N 61 121.890 121.098 0.792 1 1 748 . 1 1 1 A 62 62 ASP H H 62 8.868 8.486 0.382 1 1 749 . 1 1 1 A 62 62 ASP HA H 62 4.841 5.050 -0.209 1 1 752 . 1 1 1 A 62 62 ASP C C 62 178.029 174.080 3.949 1 1 753 . 1 1 1 A 62 62 ASP CA C 62 53.819 54.086 -0.267 1 1 754 . 1 1 1 A 62 62 ASP CB C 62 40.772 44.713 -3.941 1 1 755 . 1 1 1 A 62 62 ASP N N 62 128.697 118.579 10.118 1 1 756 . 1 1 1 A 63 63 ILE H H 63 9.261 8.274 0.987 1 1 757 . 1 1 1 A 63 63 ILE HA H 63 4.554 4.606 -0.052 1 1 767 . 1 1 1 A 63 63 ILE C C 63 175.617 176.739 -1.122 1 1 768 . 1 1 1 A 63 63 ILE CA C 63 60.736 59.899 0.837 1 1 769 . 1 1 1 A 63 63 ILE CB C 63 38.364 37.552 0.812 1 1 773 . 1 1 1 A 63 63 ILE N N 63 120.253 120.254 -0.001 1 1 774 . 1 1 1 A 64 64 VAL H H 64 8.010 7.624 0.386 1 1 775 . 1 1 1 A 64 64 VAL HA H 64 3.781 3.976 -0.195 1 1 783 . 1 1 1 A 64 64 VAL C C 64 174.878 177.433 -2.555 1 1 784 . 1 1 1 A 64 64 VAL CA C 64 65.572 64.692 0.880 1 1 785 . 1 1 1 A 64 64 VAL CB C 64 30.532 32.386 -1.854 1 1 788 . 1 1 1 A 64 64 VAL N N 64 122.413 122.345 0.068 1 1 789 . 1 1 1 A 65 65 ASP H H 65 8.391 7.711 0.680 1 1 790 . 1 1 1 A 65 65 ASP HA H 65 4.841 4.802 0.039 1 1 793 . 1 1 1 A 65 65 ASP C C 65 174.854 175.834 -0.980 1 1 794 . 1 1 1 A 65 65 ASP CA C 65 53.483 53.474 0.009 1 1 795 . 1 1 1 A 65 65 ASP CB C 65 40.114 41.172 -1.058 1 1 796 . 1 1 1 A 65 65 ASP N N 65 119.308 119.791 -0.483 1 1 797 . 1 1 1 A 66 66 LEU H H 66 7.517 7.288 0.229 1 1 798 . 1 1 1 A 66 66 LEU HA H 66 3.962 4.164 -0.202 1 1 808 . 1 1 1 A 66 66 LEU C C 66 176.708 177.302 -0.594 1 1 809 . 1 1 1 A 66 66 LEU CA C 66 57.471 56.464 1.007 1 1 810 . 1 1 1 A 66 66 LEU CB C 66 43.322 42.713 0.609 1 1 814 . 1 1 1 A 66 66 LEU N N 66 120.009 123.350 -3.341 1 1 815 . 1 1 1 A 67 67 THR H H 67 9.329 10.153 -0.824 1 1 816 . 1 1 1 A 67 67 THR HA H 67 4.363 4.422 -0.059 1 1 821 . 1 1 1 A 67 67 THR C C 67 175.145 174.141 1.004 1 1 822 . 1 1 1 A 67 67 THR CA C 67 64.019 63.285 0.734 1 1 823 . 1 1 1 A 67 67 THR CB C 67 69.107 69.232 -0.125 1 1 825 . 1 1 1 A 67 67 THR N N 67 123.534 120.968 2.566 1 1 826 . 1 1 1 A 68 68 CYS H H 68 7.584 7.015 0.569 1 1 827 . 1 1 1 A 68 68 CYS HA H 68 4.604 4.746 -0.142 1 1 830 . 1 1 1 A 68 68 CYS C C 68 170.528 172.267 -1.739 1 1 831 . 1 1 1 A 68 68 CYS CA C 68 57.402 58.653 -1.251 1 1 832 . 1 1 1 A 68 68 CYS CB C 68 29.175 31.088 -1.913 1 1 833 . 1 1 1 A 68 68 CYS N N 68 115.015 115.972 -0.957 1 1 834 . 1 1 1 A 69 69 LEU H H 69 8.730 8.664 0.066 1 1 835 . 1 1 1 A 69 69 LEU HA H 69 5.411 5.095 0.316 1 1 845 . 1 1 1 A 69 69 LEU C C 69 176.356 175.617 0.739 1 1 846 . 1 1 1 A 69 69 LEU CA C 69 54.242 54.168 0.074 1 1 847 . 1 1 1 A 69 69 LEU CB C 69 44.885 45.526 -0.641 1 1 851 . 1 1 1 A 69 69 LEU N N 69 125.633 122.546 3.087 1 1 852 . 1 1 1 A 70 70 THR H H 70 9.197 8.753 0.444 1 1 853 . 1 1 1 A 70 70 THR HA H 70 4.702 5.381 -0.679 1 1 858 . 1 1 1 A 70 70 THR C C 70 173.582 173.749 -0.167 1 1 859 . 1 1 1 A 70 70 THR CA C 70 60.384 59.771 0.613 1 1 860 . 1 1 1 A 70 70 THR CB C 70 70.870 71.915 -1.045 1 1 862 . 1 1 1 A 70 70 THR N N 70 120.391 118.060 2.331 1 1 863 . 1 1 1 A 71 71 GLU H H 71 8.965 8.661 0.304 1 1 864 . 1 1 1 A 71 71 GLU HA H 71 4.685 5.341 -0.656 1 1 869 . 1 1 1 A 71 71 GLU C C 71 175.957 175.158 0.799 1 1 870 . 1 1 1 A 71 71 GLU CA C 71 56.254 54.693 1.561 1 1 871 . 1 1 1 A 71 71 GLU CB C 71 31.396 33.303 -1.907 1 1 873 . 1 1 1 A 71 71 GLU N N 71 124.718 119.901 4.817 1 1 874 . 1 1 1 A 72 72 GLN H H 72 8.318 8.818 -0.500 1 1 875 . 1 1 1 A 72 72 GLN HA H 72 4.629 4.780 -0.151 1 1 882 . 1 1 1 A 72 72 GLN C C 72 175.254 175.989 -0.735 1 1 883 . 1 1 1 A 72 72 GLN CA C 72 55.336 54.483 0.853 1 1 884 . 1 1 1 A 72 72 GLN CB C 72 30.533 30.712 -0.179 1 1 886 . 1 1 1 A 72 72 GLN N N 72 123.543 121.999 1.544 1 1 888 . 1 1 1 A 73 73 ASN H H 73 8.670 9.012 -0.342 1 1 889 . 1 1 1 A 73 73 ASN HA H 73 4.688 4.366 0.322 1 1 894 . 1 1 1 A 73 73 ASN C C 73 175.229 175.494 -0.265 1 1 895 . 1 1 1 A 73 73 ASN CA C 73 53.607 56.371 -2.764 1 1 896 . 1 1 1 A 73 73 ASN CB C 73 39.169 38.325 0.844 1 1 897 . 1 1 1 A 73 73 ASN N N 73 120.534 124.585 -4.051 1 1 899 . 1 1 1 A 74 74 SER H H 74 8.641 7.956 0.685 1 1 900 . 1 1 1 A 74 74 SER HA H 74 4.652 4.147 0.505 1 1 903 . 1 1 1 A 74 74 SER C C 74 175.121 173.117 2.004 1 1 904 . 1 1 1 A 74 74 SER CA C 74 58.409 58.914 -0.505 1 1 905 . 1 1 1 A 74 74 SER CB C 74 64.401 61.994 2.407 1 1 906 . 1 1 1 A 74 74 SER N N 74 117.448 111.809 5.639 1 1 907 . 1 1 1 A 75 75 THR HA H 75 4.282 4.673 -0.391 1 1 912 . 1 1 1 A 75 75 THR C C 75 174.878 173.689 1.189 1 1 913 . 1 1 1 A 75 75 THR CA C 75 62.819 61.039 1.780 1 1 914 . 1 1 1 A 75 75 THR CB C 75 69.061 68.906 0.155 1 1 916 . 1 1 1 A 76 76 GLU H H 76 8.156 8.668 -0.512 1 1 917 . 1 1 1 A 76 76 GLU HA H 76 4.350 4.551 -0.201 1 1 922 . 1 1 1 A 76 76 GLU C C 76 176.138 175.231 0.907 1 1 923 . 1 1 1 A 76 76 GLU CA C 76 56.202 57.888 -1.686 1 1 924 . 1 1 1 A 76 76 GLU CB C 76 30.532 31.965 -1.433 1 1 926 . 1 1 1 A 76 76 GLU N N 76 122.220 125.302 -3.082 1 1 927 . 1 1 1 A 77 77 LYS H H 77 8.443 7.783 0.660 1 1 928 . 1 1 1 A 77 77 LYS HA H 77 4.221 4.704 -0.483 1 1 937 . 1 1 1 A 77 77 LYS C C 77 176.465 175.594 0.871 1 1 938 . 1 1 1 A 77 77 LYS CA C 77 56.730 54.997 1.733 1 1 939 . 1 1 1 A 77 77 LYS CB C 77 32.301 35.749 -3.448 1 1 943 . 1 1 1 A 77 77 LYS N N 77 122.162 118.283 3.879 1 1 944 . 1 1 1 A 78 78 ASN H H 78 8.621 8.652 -0.031 1 1 945 . 1 1 1 A 78 78 ASN HA H 78 4.641 4.947 -0.306 1 1 950 . 1 1 1 A 78 78 ASN C C 78 173.485 173.977 -0.492 1 1 951 . 1 1 1 A 78 78 ASN CA C 78 53.748 52.856 0.892 1 1 952 . 1 1 1 A 78 78 ASN CB C 78 38.058 36.937 1.121 1 1 953 . 1 1 1 A 78 78 ASN N N 78 116.583 122.323 -5.740 1 1 955 . 1 1 1 A 79 79 CYS H H 79 7.551 8.200 -0.649 1 1 956 . 1 1 1 A 79 79 CYS HA H 79 4.371 5.227 -0.856 1 1 959 . 1 1 1 A 79 79 CYS C C 79 172.515 172.799 -0.284 1 1 960 . 1 1 1 A 79 79 CYS CA C 79 57.295 57.324 -0.029 1 1 961 . 1 1 1 A 79 79 CYS CB C 79 29.628 33.194 -3.566 1 1 962 . 1 1 1 A 79 79 CYS N N 79 112.640 122.721 -10.081 1 1 963 . 1 1 1 A 80 80 ALA H H 80 7.642 8.635 -0.993 1 1 964 . 1 1 1 A 80 80 ALA HA H 80 4.727 5.021 -0.294 1 1 968 . 1 1 1 A 80 80 ALA C C 80 175.314 176.386 -1.072 1 1 969 . 1 1 1 A 80 80 ALA CA C 80 51.330 50.644 0.686 1 1 970 . 1 1 1 A 80 80 ALA CB C 80 21.896 20.784 1.112 1 1 971 . 1 1 1 A 80 80 ALA N N 80 124.099 124.809 -0.710 1 1 972 . 1 1 1 A 81 81 LYS H H 81 8.459 8.762 -0.303 1 1 973 . 1 1 1 A 81 81 LYS HA H 81 5.112 4.711 0.401 1 1 982 . 1 1 1 A 81 81 LYS C C 81 174.781 175.092 -0.311 1 1 983 . 1 1 1 A 81 81 LYS CA C 81 55.283 54.653 0.630 1 1 984 . 1 1 1 A 81 81 LYS CB C 81 36.133 34.498 1.635 1 1 988 . 1 1 1 A 81 81 LYS N N 81 119.796 123.538 -3.742 1 1 989 . 1 1 1 A 82 82 PHE H H 82 8.748 8.193 0.555 1 1 990 . 1 1 1 A 82 82 PHE HA H 82 5.513 5.947 -0.434 1 1 998 . 1 1 1 A 82 82 PHE C C 82 174.357 172.870 1.487 1 1 999 . 1 1 1 A 82 82 PHE CA C 82 55.643 55.647 -0.004 1 1 1000 . 1 1 1 A 82 82 PHE CB C 82 42.089 42.536 -0.447 1 1 1006 . 1 1 1 A 82 82 PHE N N 82 119.073 120.486 -1.413 1 1 1007 . 1 1 1 A 83 83 THR H H 83 9.290 8.570 0.720 1 1 1008 . 1 1 1 A 83 83 THR HA H 83 5.032 4.938 0.094 1 1 1013 . 1 1 1 A 83 83 THR C C 83 173.472 174.096 -0.624 1 1 1014 . 1 1 1 A 83 83 THR CA C 83 62.113 61.468 0.645 1 1 1015 . 1 1 1 A 83 83 THR CB C 83 71.076 70.611 0.465 1 1 1017 . 1 1 1 A 83 83 THR N N 83 116.845 116.235 0.610 1 1 1018 . 1 1 1 A 84 84 LEU H H 84 9.502 9.473 0.029 1 1 1019 . 1 1 1 A 84 84 LEU HA H 84 4.691 4.795 -0.104 1 1 1029 . 1 1 1 A 84 84 LEU C C 84 174.308 176.217 -1.909 1 1 1030 . 1 1 1 A 84 84 LEU CA C 84 54.224 53.906 0.318 1 1 1031 . 1 1 1 A 84 84 LEU CB C 84 41.636 41.597 0.039 1 1 1035 . 1 1 1 A 84 84 LEU N N 84 125.923 128.436 -2.513 1 1 1036 . 1 1 1 A 85 85 VAL H H 85 8.620 8.482 0.138 1 1 1037 . 1 1 1 A 85 85 VAL HA H 85 4.151 4.383 -0.232 1 1 1045 . 1 1 1 A 85 85 VAL C C 85 174.188 175.440 -1.252 1 1 1046 . 1 1 1 A 85 85 VAL CA C 85 63.649 62.533 1.116 1 1 1047 . 1 1 1 A 85 85 VAL CB C 85 30.861 31.516 -0.655 1 1 1050 . 1 1 1 A 85 85 VAL N N 85 126.007 125.457 0.550 1 1 1051 . 1 1 1 A 86 86 LEU H H 86 8.534 8.689 -0.155 1 1 1052 . 1 1 1 A 86 86 LEU HA H 86 4.853 4.827 0.026 1 1 1062 . 1 1 1 A 86 86 LEU C C 86 174.878 176.682 -1.804 1 1 1063 . 1 1 1 A 86 86 LEU CA C 86 53.183 51.792 1.391 1 1 1064 . 1 1 1 A 86 86 LEU CB C 86 40.485 44.630 -4.145 1 1 1068 . 1 1 1 A 86 86 LEU N N 86 129.551 128.463 1.088 1 1 1069 . 1 1 1 A 87 87 PRO HA H 87 4.221 4.561 -0.340 1 1 1076 . 1 1 1 A 87 87 PRO C C 87 178.223 177.079 1.144 1 1 1077 . 1 1 1 A 87 87 PRO CA C 87 66.455 64.170 2.285 1 1 1078 . 1 1 1 A 87 87 PRO CB C 87 32.260 31.681 0.579 1 1 1081 . 1 1 1 A 88 88 LYS H H 88 8.414 8.209 0.205 1 1 1082 . 1 1 1 A 88 88 LYS HA H 88 4.548 4.381 0.167 1 1 1091 . 1 1 1 A 88 88 LYS C C 88 176.187 176.600 -0.413 1 1 1092 . 1 1 1 A 88 88 LYS CA C 88 55.071 57.013 -1.942 1 1 1093 . 1 1 1 A 88 88 LYS CB C 88 33.534 34.050 -0.516 1 1 1097 . 1 1 1 A 88 88 LYS N N 88 110.404 116.720 -6.316 1 1 1098 . 1 1 1 A 89 89 GLU H H 89 7.208 7.756 -0.548 1 1 1099 . 1 1 1 A 89 89 GLU HA H 89 4.561 4.729 -0.168 1 1 1104 . 1 1 1 A 89 89 GLU C C 89 172.527 174.215 -1.688 1 1 1105 . 1 1 1 A 89 89 GLU CA C 89 56.007 55.700 0.307 1 1 1106 . 1 1 1 A 89 89 GLU CB C 89 33.082 33.528 -0.446 1 1 1108 . 1 1 1 A 89 89 GLU N N 89 116.828 114.889 1.939 1 1 1109 . 1 1 1 A 90 90 GLU H H 90 8.321 8.592 -0.271 1 1 1110 . 1 1 1 A 90 90 GLU HA H 90 5.249 5.255 -0.006 1 1 1115 . 1 1 1 A 90 90 GLU C C 90 176.296 175.803 0.493 1 1 1116 . 1 1 1 A 90 90 GLU CA C 90 54.860 55.767 -0.907 1 1 1117 . 1 1 1 A 90 90 GLU CB C 90 31.972 31.787 0.185 1 1 1119 . 1 1 1 A 90 90 GLU N N 90 119.609 124.287 -4.678 1 1 1120 . 1 1 1 A 91 91 VAL H H 91 8.972 8.467 0.505 1 1 1121 . 1 1 1 A 91 91 VAL HA H 91 4.352 4.719 -0.367 1 1 1129 . 1 1 1 A 91 91 VAL C C 91 174.284 174.483 -0.199 1 1 1130 . 1 1 1 A 91 91 VAL CA C 91 61.284 60.183 1.101 1 1 1131 . 1 1 1 A 91 91 VAL CB C 91 34.891 35.694 -0.803 1 1 1134 . 1 1 1 A 91 91 VAL N N 91 123.947 121.547 2.400 1 1 1135 . 1 1 1 A 92 92 GLN H H 92 8.241 8.986 -0.745 1 1 1136 . 1 1 1 A 92 92 GLN HA H 92 4.930 4.923 0.007 1 1 1143 . 1 1 1 A 92 92 GLN C C 92 174.115 175.270 -1.155 1 1 1144 . 1 1 1 A 92 92 GLN CA C 92 55.583 55.504 0.079 1 1 1145 . 1 1 1 A 92 92 GLN CB C 92 30.121 30.592 -0.471 1 1 1147 . 1 1 1 A 92 92 GLN N N 92 125.869 125.917 -0.048 1 1 1149 . 1 1 1 A 93 93 LEU H H 93 9.145 8.214 0.931 1 1 1150 . 1 1 1 A 93 93 LEU HA H 93 5.456 5.098 0.358 1 1 1160 . 1 1 1 A 93 93 LEU C C 93 176.256 175.153 1.103 1 1 1161 . 1 1 1 A 93 93 LEU CA C 93 53.801 53.569 0.232 1 1 1162 . 1 1 1 A 93 93 LEU CB C 93 45.913 46.676 -0.763 1 1 1166 . 1 1 1 A 93 93 LEU N N 93 123.952 123.508 0.444 1 1 1167 . 1 1 1 A 94 94 LYS H H 94 9.255 8.427 0.828 1 1 1168 . 1 1 1 A 94 94 LYS HA H 94 5.452 4.455 0.997 1 1 1177 . 1 1 1 A 94 94 LYS C C 94 174.563 174.540 0.023 1 1 1178 . 1 1 1 A 94 94 LYS CA C 94 54.718 55.126 -0.408 1 1 1179 . 1 1 1 A 94 94 LYS CB C 94 36.571 36.319 0.252 1 1 1183 . 1 1 1 A 94 94 LYS N N 94 124.618 121.795 2.823 1 1 1184 . 1 1 1 A 95 95 THR H H 95 8.582 8.325 0.257 1 1 1185 . 1 1 1 A 95 95 THR HA H 95 4.946 4.814 0.132 1 1 1190 . 1 1 1 A 95 95 THR C C 95 175.278 174.401 0.877 1 1 1191 . 1 1 1 A 95 95 THR CA C 95 59.908 60.341 -0.433 1 1 1192 . 1 1 1 A 95 95 THR CB C 95 70.917 71.119 -0.202 1 1 1194 . 1 1 1 A 95 95 THR N N 95 112.788 114.678 -1.890 1 1 1195 . 1 1 1 A 96 96 GLU H H 96 9.033 8.800 0.233 1 1 1196 . 1 1 1 A 96 96 GLU HA H 96 4.321 4.529 -0.208 1 1 1201 . 1 1 1 A 96 96 GLU C C 96 175.435 176.600 -1.165 1 1 1202 . 1 1 1 A 96 96 GLU CA C 96 57.595 58.008 -0.413 1 1 1203 . 1 1 1 A 96 96 GLU CB C 96 30.656 31.673 -1.017 1 1 1205 . 1 1 1 A 96 96 GLU N N 96 117.745 118.211 -0.466 1 1 1206 . 1 1 1 A 97 97 ASN H H 97 7.562 7.804 -0.242 1 1 1207 . 1 1 1 A 97 97 ASN HA H 97 5.074 5.180 -0.106 1 1 1212 . 1 1 1 A 97 97 ASN C C 97 176.575 175.528 1.047 1 1 1213 . 1 1 1 A 97 97 ASN CA C 97 52.195 51.630 0.565 1 1 1214 . 1 1 1 A 97 97 ASN CB C 97 40.485 42.654 -2.169 1 1 1215 . 1 1 1 A 97 97 ASN N N 97 110.462 115.646 -5.184 1 1 1217 . 1 1 1 A 98 98 THR HA H 98 3.916 4.027 -0.111 1 1 1222 . 1 1 1 A 98 98 THR C C 98 176.938 176.370 0.568 1 1 1223 . 1 1 1 A 98 98 THR CA C 98 66.349 65.667 0.682 1 1 1224 . 1 1 1 A 98 98 THR CB C 98 68.638 68.976 -0.338 1 1 1226 . 1 1 1 A 99 99 GLU H H 99 9.316 8.330 0.986 1 1 1227 . 1 1 1 A 99 99 GLU HA H 99 4.221 4.067 0.154 1 1 1232 . 1 1 1 A 99 99 GLU C C 99 179.241 179.209 0.032 1 1 1233 . 1 1 1 A 99 99 GLU CA C 99 60.754 59.367 1.387 1 1 1234 . 1 1 1 A 99 99 GLU CB C 99 28.764 29.608 -0.844 1 1 1236 . 1 1 1 A 99 99 GLU N N 99 125.868 121.755 4.113 1 1 1237 . 1 1 1 A 100 100 SER H H 100 8.739 8.472 0.267 1 1 1238 . 1 1 1 A 100 100 SER HA H 100 4.863 4.444 0.419 1 1 1241 . 1 1 1 A 100 100 SER C C 100 177.411 177.017 0.394 1 1 1242 . 1 1 1 A 100 100 SER CA C 100 61.037 62.896 -1.859 1 1 1243 . 1 1 1 A 100 100 SER CB C 100 63.879 62.886 0.993 1 1 1244 . 1 1 1 A 100 100 SER N N 100 114.755 116.825 -2.070 1 1 1245 . 1 1 1 A 101 101 GLY H H 101 7.879 8.389 -0.510 1 1 1246 . 1 1 1 A 101 101 GLY HA2 H 101 4.139 3.926 0.213 1 1 1247 . 1 1 1 A 101 101 GLY HA3 H 101 4.012 4.080 -0.068 1 1 1248 . 1 1 1 A 101 101 GLY C C 101 174.611 176.216 -1.605 1 1 1249 . 1 1 1 A 101 101 GLY CA C 101 48.948 47.537 1.411 1 1 1250 . 1 1 1 A 101 101 GLY N N 101 108.940 110.321 -1.381 1 1 1251 . 1 1 1 A 102 102 GLU H H 102 7.801 8.305 -0.504 1 1 1252 . 1 1 1 A 102 102 GLU HA H 102 4.171 4.017 0.154 1 1 1257 . 1 1 1 A 102 102 GLU C C 102 179.084 179.422 -0.338 1 1 1258 . 1 1 1 A 102 102 GLU CA C 102 58.601 59.354 -0.753 1 1 1259 . 1 1 1 A 102 102 GLU CB C 102 29.627 29.445 0.182 1 1 1261 . 1 1 1 A 102 102 GLU N N 102 120.720 121.592 -0.872 1 1 1262 . 1 1 1 A 103 103 GLU H H 103 7.781 7.884 -0.103 1 1 1263 . 1 1 1 A 103 103 GLU HA H 103 3.739 3.768 -0.029 1 1 1268 . 1 1 1 A 103 103 GLU C C 103 178.235 178.784 -0.549 1 1 1269 . 1 1 1 A 103 103 GLU CA C 103 60.366 58.945 1.421 1 1 1270 . 1 1 1 A 103 103 GLU CB C 103 30.491 28.923 1.568 1 1 1272 . 1 1 1 A 103 103 GLU N N 103 119.068 119.090 -0.022 1 1 1273 . 1 1 1 A 104 104 TRP H H 104 8.761 8.810 -0.049 1 1 1274 . 1 1 1 A 104 104 TRP HA H 104 4.171 4.643 -0.472 1 1 1283 . 1 1 1 A 104 104 TRP C C 104 178.817 178.683 0.134 1 1 1284 . 1 1 1 A 104 104 TRP CA C 104 62.290 60.476 1.814 1 1 1285 . 1 1 1 A 104 104 TRP CB C 104 29.340 29.594 -0.254 1 1 1291 . 1 1 1 A 104 104 TRP N N 104 118.358 121.131 -2.773 1 1 1293 . 1 1 1 A 105 105 ARG H H 105 8.400 8.587 -0.187 1 1 1294 . 1 1 1 A 105 105 ARG HA H 105 3.481 3.704 -0.223 1 1 1302 . 1 1 1 A 105 105 ARG C C 105 177.666 179.162 -1.496 1 1 1303 . 1 1 1 A 105 105 ARG CA C 105 60.666 59.529 1.137 1 1 1304 . 1 1 1 A 105 105 ARG CB C 105 30.162 30.091 0.071 1 1 1307 . 1 1 1 A 105 105 ARG N N 105 117.098 119.133 -2.035 1 1 1309 . 1 1 1 A 106 106 GLY H H 106 8.202 8.451 -0.249 1 1 1310 . 1 1 1 A 106 106 GLY HA2 H 106 3.470 3.556 -0.086 1 1 1311 . 1 1 1 A 106 106 GLY HA3 H 106 3.382 3.621 -0.239 1 1 1312 . 1 1 1 A 106 106 GLY C C 106 176.162 176.340 -0.178 1 1 1313 . 1 1 1 A 106 106 GLY CA C 106 47.554 47.238 0.316 1 1 1314 . 1 1 1 A 106 106 GLY N N 106 104.212 107.074 -2.862 1 1 1315 . 1 1 1 A 107 107 PHE H H 107 8.491 8.688 -0.197 1 1 1316 . 1 1 1 A 107 107 PHE HA H 107 3.722 4.463 -0.741 1 1 1324 . 1 1 1 A 107 107 PHE C C 107 177.265 178.141 -0.876 1 1 1325 . 1 1 1 A 107 107 PHE CA C 107 64.284 59.577 4.707 1 1 1326 . 1 1 1 A 107 107 PHE CB C 107 39.209 38.215 0.994 1 1 1332 . 1 1 1 A 107 107 PHE N N 107 122.710 120.524 2.186 1 1 1333 . 1 1 1 A 108 108 ILE H H 108 8.674 9.403 -0.729 1 1 1334 . 1 1 1 A 108 108 ILE HA H 108 3.523 3.731 -0.208 1 1 1344 . 1 1 1 A 108 108 ILE C C 108 178.623 177.970 0.653 1 1 1345 . 1 1 1 A 108 108 ILE CA C 108 66.384 65.031 1.353 1 1 1346 . 1 1 1 A 108 108 ILE CB C 108 37.852 37.947 -0.095 1 1 1350 . 1 1 1 A 108 108 ILE N N 108 117.395 120.202 -2.807 1 1 1351 . 1 1 1 A 109 109 LEU H H 109 8.378 8.704 -0.326 1 1 1352 . 1 1 1 A 109 109 LEU HA H 109 4.032 4.337 -0.305 1 1 1362 . 1 1 1 A 109 109 LEU C C 109 178.635 179.674 -1.039 1 1 1363 . 1 1 1 A 109 109 LEU CA C 109 57.878 57.657 0.221 1 1 1364 . 1 1 1 A 109 109 LEU CB C 109 40.854 41.571 -0.717 1 1 1368 . 1 1 1 A 109 109 LEU N N 109 118.573 119.130 -0.557 1 1 1369 . 1 1 1 A 110 110 THR H H 110 7.600 7.551 0.049 1 1 1370 . 1 1 1 A 110 110 THR HA H 110 4.110 4.547 -0.437 1 1 1375 . 1 1 1 A 110 110 THR C C 110 177.265 176.005 1.260 1 1 1376 . 1 1 1 A 110 110 THR CA C 110 68.325 65.904 2.421 1 1 1377 . 1 1 1 A 110 110 THR CB C 110 68.230 69.215 -0.985 1 1 1379 . 1 1 1 A 110 110 THR N N 110 115.926 115.055 0.871 1 1 1380 . 1 1 1 A 111 111 VAL H H 111 7.490 7.836 -0.346 1 1 1381 . 1 1 1 A 111 111 VAL HA H 111 3.912 4.141 -0.229 1 1 1389 . 1 1 1 A 111 111 VAL C C 111 174.793 176.669 -1.876 1 1 1390 . 1 1 1 A 111 111 VAL CA C 111 64.601 61.212 3.389 1 1 1391 . 1 1 1 A 111 111 VAL CB C 111 32.007 31.622 0.385 1 1 1394 . 1 1 1 A 111 111 VAL N N 111 109.123 115.760 -6.637 1 1 1395 . 1 1 1 A 112 112 THR H H 112 7.410 7.639 -0.229 1 1 1396 . 1 1 1 A 112 112 THR HA H 112 4.494 4.585 -0.091 1 1 1401 . 1 1 1 A 112 112 THR C C 112 177.265 175.483 1.782 1 1 1402 . 1 1 1 A 112 112 THR CA C 112 62.784 62.169 0.615 1 1 1403 . 1 1 1 A 112 112 THR CB C 112 69.290 70.296 -1.006 1 1 1405 . 1 1 1 A 112 112 THR N N 112 107.046 112.310 -5.264 1 1 1406 . 1 1 1 A 113 113 GLU H H 113 8.541 8.206 0.335 1 1 1407 . 1 1 1 A 113 113 GLU HA H 113 4.280 4.327 -0.047 1 1 1412 . 1 1 1 A 113 113 GLU C C 113 176.745 175.829 0.916 1 1 1413 . 1 1 1 A 113 113 GLU CA C 113 57.048 56.358 0.690 1 1 1414 . 1 1 1 A 113 113 GLU CB C 113 29.422 30.222 -0.800 1 1 1416 . 1 1 1 A 113 113 GLU N N 113 120.888 120.170 0.718 1 1 1417 . 1 1 1 A 114 114 LEU H H 114 7.561 7.901 -0.340 1 1 1418 . 1 1 1 A 114 114 LEU HA H 114 4.042 4.138 -0.096 1 1 1428 . 1 1 1 A 114 114 LEU C C 114 175.569 175.656 -0.087 1 1 1429 . 1 1 1 A 114 114 LEU CA C 114 55.213 56.345 -1.132 1 1 1430 . 1 1 1 A 114 114 LEU CB C 114 38.182 40.316 -2.134 1 1 1434 . 1 1 1 A 114 114 LEU N N 114 114.453 119.186 -4.733 1 1 1435 . 1 1 1 A 115 115 SER H H 115 7.113 7.637 -0.524 1 1 1436 . 1 1 1 A 115 115 SER HA H 115 4.315 4.702 -0.387 1 1 1439 . 1 1 1 A 115 115 SER C C 115 173.521 172.331 1.190 1 1 1440 . 1 1 1 A 115 115 SER CA C 115 57.454 55.710 1.744 1 1 1441 . 1 1 1 A 115 115 SER CB C 115 64.505 65.051 -0.546 1 1 1442 . 1 1 1 A 115 115 SER N N 115 110.010 113.378 -3.368 1 1 1443 . 1 1 1 A 116 116 VAL H H 116 8.635 8.449 0.186 1 1 1444 . 1 1 1 A 116 116 VAL HA H 116 4.210 4.453 -0.243 1 1 1452 . 1 1 1 A 116 116 VAL C C 116 175.024 173.973 1.051 1 1 1453 . 1 1 1 A 116 116 VAL CA C 116 60.948 58.771 2.177 1 1 1454 . 1 1 1 A 116 116 VAL CB C 116 32.177 35.125 -2.948 1 1 1457 . 1 1 1 A 116 116 VAL N N 116 129.442 120.464 8.978 1 1 1458 . 1 1 1 A 117 117 PRO HA H 117 4.381 4.748 -0.367 1 1 1465 . 1 1 1 A 117 117 PRO C C 117 176.478 177.151 -0.673 1 1 1466 . 1 1 1 A 117 117 PRO CA C 117 62.678 62.511 0.167 1 1 1467 . 1 1 1 A 117 117 PRO CB C 117 31.931 31.986 -0.055 1 1 1470 . 1 1 1 A 118 118 GLN H H 118 8.576 8.841 -0.265 1 1 1471 . 1 1 1 A 118 118 GLN HA H 118 4.282 4.378 -0.096 1 1 1478 . 1 1 1 A 118 118 GLN C C 118 176.575 175.800 0.775 1 1 1479 . 1 1 1 A 118 118 GLN CA C 118 55.866 56.198 -0.332 1 1 1480 . 1 1 1 A 118 118 GLN CB C 118 29.704 29.145 0.559 1 1 1482 . 1 1 1 A 118 118 GLN N N 118 118.498 120.548 -2.050 1 1 1484 . 1 1 1 A 119 119 ASN H H 119 8.444 7.839 0.605 1 1 1485 . 1 1 1 A 119 119 ASN HA H 119 4.727 4.857 -0.130 1 1 1490 . 1 1 1 A 119 119 ASN C C 119 174.842 173.826 1.016 1 1 1491 . 1 1 1 A 119 119 ASN CA C 119 52.812 52.571 0.241 1 1 1492 . 1 1 1 A 119 119 ASN CB C 119 37.071 38.256 -1.185 1 1 1493 . 1 1 1 A 119 119 ASN N N 119 117.223 118.160 -0.937 1 1 1495 . 1 1 1 A 120 120 VAL H H 120 7.182 7.813 -0.631 1 1 1496 . 1 1 1 A 120 120 VAL HA H 120 4.381 5.253 -0.872 1 1 1504 . 1 1 1 A 120 120 VAL C C 120 175.484 174.974 0.510 1 1 1505 . 1 1 1 A 120 120 VAL CA C 120 60.048 59.393 0.655 1 1 1506 . 1 1 1 A 120 120 VAL CB C 120 34.028 35.202 -1.174 1 1 1509 . 1 1 1 A 120 120 VAL N N 120 114.038 117.293 -3.255 1 1 1510 . 1 1 1 A 121 121 SER H H 121 9.313 8.519 0.794 1 1 1511 . 1 1 1 A 121 121 SER HA H 121 4.552 4.659 -0.107 1 1 1514 . 1 1 1 A 121 121 SER C C 121 173.096 174.656 -1.560 1 1 1515 . 1 1 1 A 121 121 SER CA C 121 57.119 57.756 -0.637 1 1 1516 . 1 1 1 A 121 121 SER CB C 121 62.528 64.694 -2.166 1 1 1517 . 1 1 1 A 121 121 SER N N 121 122.117 115.443 6.674 1 1 1518 . 1 1 1 A 122 122 LEU H H 122 7.470 7.319 0.151 1 1 1519 . 1 1 1 A 122 122 LEU HA H 122 4.618 4.205 0.413 1 1 1529 . 1 1 1 A 122 122 LEU C C 122 176.526 176.478 0.048 1 1 1530 . 1 1 1 A 122 122 LEU CA C 122 52.795 55.053 -2.258 1 1 1531 . 1 1 1 A 122 122 LEU CB C 122 45.790 42.371 3.419 1 1 1535 . 1 1 1 A 122 122 LEU N N 122 122.878 124.583 -1.705 1 1 1536 . 1 1 1 A 123 123 LEU H H 123 8.765 8.374 0.391 1 1 1537 . 1 1 1 A 123 123 LEU HA H 123 4.574 4.747 -0.173 1 1 1547 . 1 1 1 A 123 123 LEU C C 123 176.769 177.162 -0.393 1 1 1548 . 1 1 1 A 123 123 LEU CA C 123 53.748 52.433 1.315 1 1 1549 . 1 1 1 A 123 123 LEU CB C 123 40.649 43.360 -2.711 1 1 1553 . 1 1 1 A 123 123 LEU N N 123 122.054 121.348 0.706 1 1 1554 . 1 1 1 A 124 124 PRO HA H 124 4.232 4.478 -0.246 1 1 1561 . 1 1 1 A 124 124 PRO CA C 124 66.281 64.294 1.987 1 1 1562 . 1 1 1 A 124 124 PRO CB C 124 31.945 31.813 0.132 1 1 1565 . 1 1 1 A 125 125 GLY HA2 H 125 3.901 3.886 0.015 1 1 1566 . 1 1 1 A 125 125 GLY HA3 H 125 3.901 3.886 0.015 1 1 1567 . 1 1 1 A 125 125 GLY C C 125 176.696 175.199 1.497 1 1 1568 . 1 1 1 A 125 125 GLY CA C 125 46.724 46.183 0.541 1 1 1569 . 1 1 1 A 126 126 GLN H H 126 7.495 7.883 -0.388 1 1 1570 . 1 1 1 A 126 126 GLN HA H 126 4.261 4.235 0.026 1 1 1577 . 1 1 1 A 126 126 GLN C C 126 178.235 177.876 0.359 1 1 1578 . 1 1 1 A 126 126 GLN CA C 126 57.807 58.279 -0.472 1 1 1579 . 1 1 1 A 126 126 GLN CB C 126 30.039 29.338 0.701 1 1 1581 . 1 1 1 A 126 126 GLN N N 126 120.404 120.130 0.274 1 1 1583 . 1 1 1 A 127 127 VAL H H 127 7.839 8.000 -0.161 1 1 1584 . 1 1 1 A 127 127 VAL HA H 127 3.360 3.448 -0.088 1 1 1592 . 1 1 1 A 127 127 VAL C C 127 178.441 177.793 0.648 1 1 1593 . 1 1 1 A 127 127 VAL CA C 127 67.231 66.526 0.705 1 1 1594 . 1 1 1 A 127 127 VAL CB C 127 31.948 31.548 0.400 1 1 1597 . 1 1 1 A 127 127 VAL N N 127 121.180 119.993 1.187 1 1 1598 . 1 1 1 A 128 128 ILE H H 128 7.725 8.105 -0.380 1 1 1599 . 1 1 1 A 128 128 ILE HA H 128 3.820 3.659 0.161 1 1 1609 . 1 1 1 A 128 128 ILE C C 128 178.599 177.887 0.712 1 1 1610 . 1 1 1 A 128 128 ILE CA C 128 64.978 65.626 -0.648 1 1 1611 . 1 1 1 A 128 128 ILE CB C 128 37.976 37.642 0.334 1 1 1615 . 1 1 1 A 128 128 ILE N N 128 119.369 120.285 -0.916 1 1 1616 . 1 1 1 A 129 129 LYS H H 129 7.204 7.710 -0.506 1 1 1617 . 1 1 1 A 129 129 LYS HA H 129 4.241 3.989 0.252 1 1 1626 . 1 1 1 A 129 129 LYS C C 129 178.902 179.312 -0.410 1 1 1627 . 1 1 1 A 129 129 LYS CA C 129 58.690 59.320 -0.630 1 1 1628 . 1 1 1 A 129 129 LYS CB C 129 31.725 32.367 -0.642 1 1 1632 . 1 1 1 A 129 129 LYS N N 129 119.356 118.969 0.387 1 1 1633 . 1 1 1 A 130 130 LEU H H 130 7.750 7.807 -0.057 1 1 1634 . 1 1 1 A 130 130 LEU HA H 130 3.649 3.862 -0.213 1 1 1644 . 1 1 1 A 130 130 LEU C C 130 178.756 179.053 -0.297 1 1 1645 . 1 1 1 A 130 130 LEU CA C 130 57.913 57.746 0.167 1 1 1646 . 1 1 1 A 130 130 LEU CB C 130 40.197 41.109 -0.912 1 1 1650 . 1 1 1 A 130 130 LEU N N 130 118.271 119.713 -1.442 1 1 1651 . 1 1 1 A 131 131 HIS H H 131 7.732 7.945 -0.213 1 1 1652 . 1 1 1 A 131 131 HIS HA H 131 3.918 4.184 -0.266 1 1 1657 . 1 1 1 A 131 131 HIS C C 131 178.392 177.793 0.599 1 1 1658 . 1 1 1 A 131 131 HIS CA C 131 61.019 59.699 1.320 1 1 1659 . 1 1 1 A 131 131 HIS CB C 131 29.951 29.360 0.591 1 1 1662 . 1 1 1 A 131 131 HIS N N 131 117.308 117.285 0.023 1 1 1663 . 1 1 1 A 132 132 GLU H H 132 8.030 9.054 -1.024 1 1 1664 . 1 1 1 A 132 132 GLU HA H 132 4.097 3.917 0.180 1 1 1669 . 1 1 1 A 132 132 GLU C C 132 179.907 179.329 0.578 1 1 1670 . 1 1 1 A 132 132 GLU CA C 132 59.660 59.426 0.234 1 1 1671 . 1 1 1 A 132 132 GLU CB C 132 29.627 29.227 0.400 1 1 1673 . 1 1 1 A 132 132 GLU N N 132 121.443 119.195 2.248 1 1 1674 . 1 1 1 A 133 133 VAL H H 133 8.250 9.125 -0.875 1 1 1675 . 1 1 1 A 133 133 VAL HA H 133 3.352 3.184 0.168 1 1 1683 . 1 1 1 A 133 133 VAL C C 133 176.575 177.950 -1.375 1 1 1684 . 1 1 1 A 133 133 VAL CA C 133 66.367 66.174 0.193 1 1 1685 . 1 1 1 A 133 133 VAL CB C 133 31.203 31.272 -0.069 1 1 1688 . 1 1 1 A 133 133 VAL N N 133 121.281 120.213 1.068 1 1 1689 . 1 1 1 A 134 134 LEU H H 134 8.259 8.241 0.018 1 1 1690 . 1 1 1 A 134 134 LEU HA H 134 3.645 3.840 -0.195 1 1 1700 . 1 1 1 A 134 134 LEU C C 134 177.980 178.248 -0.268 1 1 1701 . 1 1 1 A 134 134 LEU CA C 134 58.154 58.581 -0.427 1 1 1702 . 1 1 1 A 134 134 LEU CB C 134 40.320 42.073 -1.753 1 1 1706 . 1 1 1 A 134 134 LEU N N 134 120.134 120.484 -0.350 1 1 1707 . 1 1 1 A 135 135 GLU H H 135 7.611 8.404 -0.793 1 1 1708 . 1 1 1 A 135 135 GLU HA H 135 3.972 3.948 0.024 1 1 1713 . 1 1 1 A 135 135 GLU C C 135 179.834 179.375 0.459 1 1 1714 . 1 1 1 A 135 135 GLU CA C 135 59.325 59.730 -0.405 1 1 1715 . 1 1 1 A 135 135 GLU CB C 135 29.134 29.423 -0.289 1 1 1717 . 1 1 1 A 135 135 GLU N N 135 116.026 117.819 -1.793 1 1 1718 . 1 1 1 A 136 136 ARG H H 136 7.789 8.333 -0.544 1 1 1719 . 1 1 1 A 136 136 ARG HA H 136 4.140 4.133 0.007 1 1 1726 . 1 1 1 A 136 136 ARG C C 136 179.083 179.189 -0.106 1 1 1727 . 1 1 1 A 136 136 ARG CA C 136 59.131 59.529 -0.398 1 1 1728 . 1 1 1 A 136 136 ARG CB C 136 30.368 30.089 0.279 1 1 1731 . 1 1 1 A 136 136 ARG N N 136 119.681 120.083 -0.402 1 1 1732 . 1 1 1 A 137 137 GLU H H 137 9.238 8.298 0.940 1 1 1733 . 1 1 1 A 137 137 GLU HA H 137 4.637 4.169 0.468 1 1 1738 . 1 1 1 A 137 137 GLU C C 137 178.817 178.769 0.048 1 1 1739 . 1 1 1 A 137 137 GLU CA C 137 58.036 59.165 -1.129 1 1 1740 . 1 1 1 A 137 137 GLU CB C 137 28.147 28.686 -0.539 1 1 1742 . 1 1 1 A 137 137 GLU N N 137 124.333 118.354 5.979 1 1 1743 . 1 1 1 A 138 138 LYS H H 138 8.788 8.347 0.441 1 1 1744 . 1 1 1 A 138 138 LYS HA H 138 3.899 3.984 -0.085 1 1 1753 . 1 1 1 A 138 138 LYS C C 138 179.944 179.490 0.454 1 1 1754 . 1 1 1 A 138 138 LYS CA C 138 60.754 59.758 0.996 1 1 1755 . 1 1 1 A 138 138 LYS CB C 138 32.789 32.246 0.543 1 1 1759 . 1 1 1 A 138 138 LYS N N 138 119.622 119.932 -0.310 1 1 1760 . 1 1 1 A 139 139 LYS H H 139 7.313 7.773 -0.460 1 1 1761 . 1 1 1 A 139 139 LYS HA H 139 4.070 3.940 0.130 1 1 1770 . 1 1 1 A 139 139 LYS C C 139 178.235 179.097 -0.862 1 1 1771 . 1 1 1 A 139 139 LYS CA C 139 59.166 59.950 -0.784 1 1 1772 . 1 1 1 A 139 139 LYS CB C 139 32.424 32.296 0.128 1 1 1776 . 1 1 1 A 139 139 LYS N N 139 117.326 119.323 -1.997 1 1 1777 . 1 1 1 A 140 140 ARG H H 140 8.344 7.904 0.440 1 1 1778 . 1 1 1 A 140 140 ARG HA H 140 4.080 3.982 0.098 1 1 1786 . 1 1 1 A 140 140 ARG C C 140 179.531 178.954 0.577 1 1 1787 . 1 1 1 A 140 140 ARG CA C 140 59.184 59.691 -0.507 1 1 1788 . 1 1 1 A 140 140 ARG CB C 140 31.190 29.916 1.274 1 1 1791 . 1 1 1 A 140 140 ARG N N 140 121.404 119.871 1.533 1 1 1793 . 1 1 1 A 141 141 ARG H H 141 8.171 8.251 -0.080 1 1 1794 . 1 1 1 A 141 141 ARG HA H 141 4.034 4.042 -0.008 1 1 1802 . 1 1 1 A 141 141 ARG C C 141 178.671 178.682 -0.011 1 1 1803 . 1 1 1 A 141 141 ARG CA C 141 58.337 58.914 -0.577 1 1 1804 . 1 1 1 A 141 141 ARG CB C 141 30.327 30.080 0.247 1 1 1807 . 1 1 1 A 141 141 ARG N N 141 115.667 118.716 -3.049 1 1 1809 . 1 1 1 A 142 142 ILE H H 142 7.521 8.516 -0.995 1 1 1810 . 1 1 1 A 142 142 ILE HA H 142 4.074 3.760 0.314 1 1 1820 . 1 1 1 A 142 142 ILE C C 142 177.787 176.812 0.975 1 1 1821 . 1 1 1 A 142 142 ILE CA C 142 63.178 64.946 -1.768 1 1 1822 . 1 1 1 A 142 142 ILE CB C 142 38.346 37.866 0.480 1 1 1826 . 1 1 1 A 142 142 ILE N N 142 118.031 119.793 -1.762 1 1 1827 . 1 1 1 A 143 143 GLU H H 143 8.041 8.192 -0.151 1 1 1828 . 1 1 1 A 143 143 GLU HA H 143 4.251 4.624 -0.373 1 1 1833 . 1 1 1 A 143 143 GLU C C 143 177.217 175.954 1.263 1 1 1834 . 1 1 1 A 143 143 GLU CA C 143 57.595 54.986 2.609 1 1 1835 . 1 1 1 A 143 143 GLU CB C 143 29.998 27.977 2.021 1 1 1837 . 1 1 1 A 143 143 GLU N N 143 120.963 120.239 0.724 1 1 1838 . 1 1 1 A 144 144 SER H H 144 8.041 8.878 -0.837 1 1 1839 . 1 1 1 A 144 144 SER HA H 144 4.538 4.676 -0.138 1 1 1842 . 1 1 1 A 144 144 SER C C 144 174.721 175.140 -0.419 1 1 1843 . 1 1 1 A 144 144 SER CA C 144 58.801 59.459 -0.658 1 1 1844 . 1 1 1 A 144 144 SER CB C 144 64.126 65.257 -1.131 1 1 1845 . 1 1 1 A 144 144 SER N N 144 114.646 121.055 -6.409 1 1 1846 . 1 1 1 A 145 145 GLY H H 145 7.982 7.984 -0.002 1 1 1847 . 1 1 1 A 145 145 GLY HA2 H 145 4.102 4.041 0.061 1 1 1848 . 1 1 1 A 145 145 GLY HA3 H 145 4.231 4.041 0.190 1 1 1849 . 1 1 1 A 145 145 GLY C C 145 171.800 173.197 -1.397 1 1 1850 . 1 1 1 A 145 145 GLY CA C 145 44.854 45.071 -0.217 1 1 1851 . 1 1 1 A 145 145 GLY N N 145 110.299 109.376 0.923 1 1 1852 . 1 1 1 A 146 146 PRO HA H 146 4.510 4.761 -0.251 1 1 1859 . 1 1 1 A 146 146 PRO C C 146 177.496 176.885 0.611 1 1 1860 . 1 1 1 A 146 146 PRO CA C 146 63.313 62.558 0.755 1 1 1861 . 1 1 1 A 146 146 PRO CB C 146 32.177 31.617 0.560 1 1 1864 . 1 1 1 A 147 147 SER H H 147 8.530 8.485 0.045 1 1 1865 . 1 1 1 A 147 147 SER C C 147 174.721 174.408 0.313 1 1 1866 . 1 1 1 A 147 147 SER CA C 147 58.390 58.783 -0.393 1 1 1867 . 1 1 1 A 147 147 SER CB C 147 63.803 62.466 1.337 1 1 1868 . 1 1 1 A 147 147 SER N N 147 116.436 116.693 -0.257 1 1 1869 . 1 1 1 A 148 148 SER H H 148 8.348 8.190 0.158 1 1 1870 . 1 1 1 A 148 148 SER C C 148 173.957 173.685 0.272 1 1 1871 . 1 1 1 A 148 148 SER CA C 148 58.372 60.391 -2.019 1 1 1872 . 1 1 1 A 148 148 SER CB C 148 64.008 62.096 1.912 1 1 1 . 2 1 1 A 8 8 GLN HA H 8 4.221 3.807 0.414 1 1 8 . 2 1 1 A 8 8 GLN CA C 8 56.851 56.688 0.163 1 1 9 . 2 1 1 A 8 8 GLN CB C 8 28.887 27.131 1.756 1 1 12 . 2 1 1 A 9 9 GLU H H 9 8.480 8.284 0.196 1 1 13 . 2 1 1 A 9 9 GLU HA H 9 4.166 4.368 -0.202 1 1 18 . 2 1 1 A 9 9 GLU CA C 9 58.333 56.461 1.872 1 1 19 . 2 1 1 A 9 9 GLU CB C 9 29.545 29.999 -0.454 1 1 21 . 2 1 1 A 9 9 GLU N N 9 121.149 118.972 2.177 1 1 22 . 2 1 1 A 10 10 ARG H H 10 8.336 8.791 -0.455 1 1 23 . 2 1 1 A 10 10 ARG HA H 10 4.131 3.960 0.171 1 1 30 . 2 1 1 A 10 10 ARG C C 10 177.350 176.625 0.725 1 1 31 . 2 1 1 A 10 10 ARG CA C 10 57.731 59.210 -1.479 1 1 32 . 2 1 1 A 10 10 ARG CB C 10 30.061 30.315 -0.254 1 1 35 . 2 1 1 A 10 10 ARG N N 10 120.177 126.498 -6.321 1 1 36 . 2 1 1 A 11 11 LEU H H 11 7.741 7.981 -0.240 1 1 37 . 2 1 1 A 11 11 LEU HA H 11 4.219 3.938 0.281 1 1 44 . 2 1 1 A 11 11 LEU CA C 11 56.781 55.880 0.901 1 1 45 . 2 1 1 A 11 11 LEU CB C 11 41.875 41.030 0.845 1 1 49 . 2 1 1 A 11 11 LEU N N 11 120.410 119.541 0.869 1 1 50 . 2 1 1 A 12 12 LYS H H 12 7.816 8.393 -0.577 1 1 51 . 2 1 1 A 12 12 LYS HA H 12 4.091 4.503 -0.412 1 1 60 . 2 1 1 A 12 12 LYS CA C 12 58.234 55.779 2.455 1 1 61 . 2 1 1 A 12 12 LYS CB C 12 32.530 33.442 -0.912 1 1 65 . 2 1 1 A 12 12 LYS N N 12 119.365 122.142 -2.777 1 1 66 . 2 1 1 A 13 13 ILE H H 13 7.851 8.387 -0.536 1 1 67 . 2 1 1 A 13 13 ILE HA H 13 3.951 4.638 -0.687 1 1 77 . 2 1 1 A 13 13 ILE C C 13 176.914 174.673 2.241 1 1 78 . 2 1 1 A 13 13 ILE CA C 13 62.713 60.076 2.637 1 1 79 . 2 1 1 A 13 13 ILE CB C 13 38.264 38.663 -0.399 1 1 83 . 2 1 1 A 14 14 THR H H 14 7.750 8.997 -1.247 1 1 84 . 2 1 1 A 14 14 THR HA H 14 4.021 4.709 -0.688 1 1 88 . 2 1 1 A 14 14 THR C C 14 174.818 173.147 1.671 1 1 89 . 2 1 1 A 14 14 THR CA C 14 63.172 61.810 1.362 1 1 90 . 2 1 1 A 14 14 THR CB C 14 68.985 69.181 -0.196 1 1 92 . 2 1 1 A 14 14 THR N N 14 110.999 123.969 -12.970 1 1 93 . 2 1 1 A 15 15 ALA H H 15 7.922 8.629 -0.707 1 1 94 . 2 1 1 A 15 15 ALA HA H 15 4.141 5.038 -0.897 1 1 98 . 2 1 1 A 15 15 ALA C C 15 177.593 176.155 1.438 1 1 99 . 2 1 1 A 15 15 ALA CA C 15 53.007 50.444 2.563 1 1 100 . 2 1 1 A 15 15 ALA CB C 15 18.747 23.076 -4.329 1 1 101 . 2 1 1 A 15 15 ALA N N 15 122.429 127.873 -5.444 1 1 102 . 2 1 1 A 16 16 LEU H H 16 7.442 8.535 -1.093 1 1 103 . 2 1 1 A 16 16 LEU HA H 16 4.653 4.183 0.470 1 1 112 . 2 1 1 A 16 16 LEU C C 16 173.182 174.824 -1.642 1 1 113 . 2 1 1 A 16 16 LEU CA C 16 51.524 53.998 -2.474 1 1 114 . 2 1 1 A 16 16 LEU CB C 16 45.831 41.661 4.170 1 1 118 . 2 1 1 A 16 16 LEU N N 16 120.226 122.361 -2.135 1 1 119 . 2 1 1 A 17 17 PRO HA H 17 4.140 4.687 -0.547 1 1 126 . 2 1 1 A 17 17 PRO C C 17 174.296 176.287 -1.991 1 1 127 . 2 1 1 A 17 17 PRO CA C 17 62.007 62.185 -0.178 1 1 128 . 2 1 1 A 17 17 PRO CB C 17 32.013 31.792 0.221 1 1 131 . 2 1 1 A 18 18 LEU H H 18 8.071 8.136 -0.065 1 1 132 . 2 1 1 A 18 18 LEU HA H 18 4.097 3.997 0.100 1 1 142 . 2 1 1 A 18 18 LEU C C 18 176.974 175.687 1.287 1 1 143 . 2 1 1 A 18 18 LEU CA C 18 55.043 55.817 -0.774 1 1 144 . 2 1 1 A 18 18 LEU CB C 18 42.376 42.375 0.001 1 1 148 . 2 1 1 A 18 18 LEU N N 18 119.963 124.000 -4.037 1 1 149 . 2 1 1 A 19 19 TYR H H 19 9.108 9.124 -0.016 1 1 150 . 2 1 1 A 19 19 TYR HA H 19 5.121 4.656 0.465 1 1 157 . 2 1 1 A 19 19 TYR C C 19 174.515 175.105 -0.590 1 1 158 . 2 1 1 A 19 19 TYR CA C 19 55.160 58.996 -3.836 1 1 159 . 2 1 1 A 19 19 TYR CB C 19 39.292 40.638 -1.346 1 1 164 . 2 1 1 A 19 19 TYR N N 19 127.955 124.602 3.353 1 1 165 . 2 1 1 A 20 20 PHE H H 20 7.560 7.002 0.558 1 1 166 . 2 1 1 A 20 20 PHE HA H 20 4.281 4.484 -0.203 1 1 174 . 2 1 1 A 20 20 PHE C C 20 171.170 172.867 -1.697 1 1 175 . 2 1 1 A 20 20 PHE CA C 20 57.031 57.841 -0.810 1 1 176 . 2 1 1 A 20 20 PHE CB C 20 40.937 41.659 -0.722 1 1 182 . 2 1 1 A 20 20 PHE N N 20 115.328 117.756 -2.428 1 1 183 . 2 1 1 A 21 21 GLU H H 21 5.556 8.222 -2.666 1 1 184 . 2 1 1 A 21 21 GLU HA H 21 5.191 4.844 0.347 1 1 189 . 2 1 1 A 21 21 GLU C C 21 173.024 174.302 -1.278 1 1 190 . 2 1 1 A 21 21 GLU CA C 21 53.025 54.255 -1.230 1 1 191 . 2 1 1 A 21 21 GLU CB C 21 31.760 32.136 -0.376 1 1 193 . 2 1 1 A 21 21 GLU N N 21 118.643 122.825 -4.182 1 1 194 . 2 1 1 A 22 22 GLY H H 22 7.721 7.811 -0.090 1 1 195 . 2 1 1 A 22 22 GLY HA2 H 22 4.024 4.042 -0.018 1 1 196 . 2 1 1 A 22 22 GLY HA3 H 22 3.107 4.066 -0.959 1 1 197 . 2 1 1 A 22 22 GLY C C 22 171.994 172.102 -0.108 1 1 198 . 2 1 1 A 22 22 GLY CA C 22 45.013 45.502 -0.489 1 1 199 . 2 1 1 A 22 22 GLY N N 22 106.155 107.663 -1.508 1 1 200 . 2 1 1 A 23 23 PHE H H 23 8.881 8.804 0.077 1 1 201 . 2 1 1 A 23 23 PHE HA H 23 5.303 4.614 0.689 1 1 209 . 2 1 1 A 23 23 PHE C C 23 176.926 175.191 1.735 1 1 210 . 2 1 1 A 23 23 PHE CA C 23 60.013 59.632 0.381 1 1 211 . 2 1 1 A 23 23 PHE CB C 23 40.937 39.340 1.597 1 1 217 . 2 1 1 A 23 23 PHE N N 23 119.442 121.293 -1.851 1 1 218 . 2 1 1 A 24 24 LEU H H 24 9.072 8.720 0.352 1 1 219 . 2 1 1 A 24 24 LEU HA H 24 4.562 5.128 -0.566 1 1 229 . 2 1 1 A 24 24 LEU C C 24 174.406 174.780 -0.374 1 1 230 . 2 1 1 A 24 24 LEU CA C 24 54.437 53.586 0.851 1 1 231 . 2 1 1 A 24 24 LEU CB C 24 48.381 45.003 3.378 1 1 235 . 2 1 1 A 24 24 LEU N N 24 122.488 126.137 -3.649 1 1 236 . 2 1 1 A 25 25 LEU H H 25 8.120 8.309 -0.189 1 1 237 . 2 1 1 A 25 25 LEU HA H 25 5.480 5.415 0.065 1 1 247 . 2 1 1 A 25 25 LEU C C 25 176.175 176.144 0.031 1 1 248 . 2 1 1 A 25 25 LEU CA C 25 54.242 53.408 0.834 1 1 249 . 2 1 1 A 25 25 LEU CB C 25 42.576 43.010 -0.434 1 1 253 . 2 1 1 A 25 25 LEU N N 25 120.790 126.246 -5.456 1 1 254 . 2 1 1 A 26 26 ILE H H 26 9.110 8.839 0.271 1 1 255 . 2 1 1 A 26 26 ILE HA H 26 5.232 4.693 0.539 1 1 265 . 2 1 1 A 26 26 ILE C C 26 174.757 174.748 0.009 1 1 266 . 2 1 1 A 26 26 ILE CA C 26 57.613 59.927 -2.314 1 1 267 . 2 1 1 A 26 26 ILE CB C 26 41.343 40.436 0.907 1 1 271 . 2 1 1 A 26 26 ILE N N 26 120.679 125.045 -4.366 1 1 272 . 2 1 1 A 27 27 LYS H H 27 9.150 8.471 0.679 1 1 273 . 2 1 1 A 27 27 LYS HA H 27 4.425 4.275 0.150 1 1 282 . 2 1 1 A 27 27 LYS C C 27 175.557 176.002 -0.445 1 1 283 . 2 1 1 A 27 27 LYS CA C 27 56.095 54.754 1.341 1 1 284 . 2 1 1 A 27 27 LYS CB C 27 35.056 32.169 2.887 1 1 288 . 2 1 1 A 27 27 LYS N N 27 127.778 127.692 0.086 1 1 289 . 2 1 1 A 28 28 ARG H H 28 5.868 7.162 -1.294 1 1 290 . 2 1 1 A 28 28 ARG HA H 28 4.429 3.703 0.726 1 1 298 . 2 1 1 A 28 28 ARG C C 28 176.078 176.959 -0.881 1 1 299 . 2 1 1 A 28 28 ARG CA C 28 54.542 59.320 -4.778 1 1 300 . 2 1 1 A 28 28 ARG CB C 28 31.602 29.932 1.670 1 1 303 . 2 1 1 A 28 28 ARG N N 28 124.548 125.846 -1.298 1 1 305 . 2 1 1 A 29 29 SER H H 29 9.067 7.788 1.279 1 1 306 . 2 1 1 A 29 29 SER HA H 29 4.181 4.659 -0.478 1 1 309 . 2 1 1 A 29 29 SER C C 29 176.066 175.616 0.450 1 1 310 . 2 1 1 A 29 29 SER CA C 29 61.019 59.533 1.486 1 1 311 . 2 1 1 A 29 29 SER CB C 29 63.057 64.930 -1.873 1 1 312 . 2 1 1 A 29 29 SER N N 29 116.823 110.295 6.528 1 1 313 . 2 1 1 A 30 30 GLY HA2 H 30 3.810 4.017 -0.207 1 1 314 . 2 1 1 A 30 30 GLY HA3 H 30 4.172 4.042 0.130 1 1 315 . 2 1 1 A 30 30 GLY CA C 30 45.171 46.185 -1.014 1 1 316 . 2 1 1 A 31 31 TYR H H 31 8.001 7.775 0.226 1 1 317 . 2 1 1 A 31 31 TYR HA H 31 4.729 4.397 0.332 1 1 324 . 2 1 1 A 31 31 TYR CB C 31 37.249 38.462 -1.213 1 1 329 . 2 1 1 A 31 31 TYR N N 31 121.120 120.871 0.249 1 1 330 . 2 1 1 A 32 32 ARG HA H 32 4.204 4.109 0.095 1 1 337 . 2 1 1 A 32 32 ARG C C 32 176.066 175.972 0.094 1 1 338 . 2 1 1 A 32 32 ARG CA C 32 57.631 58.667 -1.036 1 1 339 . 2 1 1 A 32 32 ARG CB C 32 30.861 30.384 0.477 1 1 342 . 2 1 1 A 33 33 GLU H H 33 7.700 7.665 0.035 1 1 343 . 2 1 1 A 33 33 GLU HA H 33 4.600 4.456 0.144 1 1 348 . 2 1 1 A 33 33 GLU C C 33 175.569 174.920 0.649 1 1 349 . 2 1 1 A 33 33 GLU CA C 33 53.695 55.396 -1.701 1 1 350 . 2 1 1 A 33 33 GLU CB C 33 33.000 31.695 1.305 1 1 352 . 2 1 1 A 33 33 GLU N N 33 115.988 114.318 1.670 1 1 353 . 2 1 1 A 34 34 TYR H H 34 8.755 8.266 0.489 1 1 354 . 2 1 1 A 34 34 TYR HA H 34 4.311 4.429 -0.118 1 1 361 . 2 1 1 A 34 34 TYR C C 34 176.999 175.687 1.312 1 1 362 . 2 1 1 A 34 34 TYR CA C 34 59.537 59.574 -0.037 1 1 363 . 2 1 1 A 34 34 TYR CB C 34 39.744 39.177 0.567 1 1 368 . 2 1 1 A 34 34 TYR N N 34 118.663 122.088 -3.425 1 1 369 . 2 1 1 A 35 35 GLU H H 35 9.024 8.779 0.245 1 1 370 . 2 1 1 A 35 35 GLU HA H 35 4.401 4.781 -0.380 1 1 375 . 2 1 1 A 35 35 GLU C C 35 174.406 175.517 -1.111 1 1 376 . 2 1 1 A 35 35 GLU CA C 35 54.330 55.075 -0.745 1 1 377 . 2 1 1 A 35 35 GLU CB C 35 31.972 32.002 -0.030 1 1 379 . 2 1 1 A 35 35 GLU N N 35 122.488 123.912 -1.424 1 1 380 . 2 1 1 A 36 36 HIS H H 36 8.639 9.107 -0.468 1 1 381 . 2 1 1 A 36 36 HIS HA H 36 4.980 4.999 -0.019 1 1 386 . 2 1 1 A 36 36 HIS C C 36 174.127 174.126 0.001 1 1 387 . 2 1 1 A 36 36 HIS CA C 36 55.607 55.218 0.389 1 1 388 . 2 1 1 A 36 36 HIS CB C 36 31.396 29.117 2.279 1 1 391 . 2 1 1 A 36 36 HIS N N 36 123.767 120.889 2.878 1 1 392 . 2 1 1 A 37 37 TYR H H 37 8.931 8.884 0.047 1 1 393 . 2 1 1 A 37 37 TYR HA H 37 5.668 5.070 0.598 1 1 400 . 2 1 1 A 37 37 TYR C C 37 177.969 175.163 2.806 1 1 401 . 2 1 1 A 37 37 TYR CA C 37 55.407 56.719 -1.312 1 1 402 . 2 1 1 A 37 37 TYR CB C 37 42.089 41.966 0.123 1 1 407 . 2 1 1 A 37 37 TYR N N 37 124.075 122.948 1.127 1 1 408 . 2 1 1 A 38 38 TRP H H 38 8.931 9.625 -0.694 1 1 409 . 2 1 1 A 38 38 TRP HA H 38 4.329 4.871 -0.542 1 1 418 . 2 1 1 A 38 38 TRP C C 38 174.345 175.388 -1.043 1 1 419 . 2 1 1 A 38 38 TRP CA C 38 58.230 56.230 2.000 1 1 420 . 2 1 1 A 38 38 TRP CB C 38 28.846 29.146 -0.300 1 1 426 . 2 1 1 A 38 38 TRP N N 38 125.317 126.650 -1.333 1 1 428 . 2 1 1 A 39 39 THR H H 39 8.366 8.793 -0.427 1 1 429 . 2 1 1 A 39 39 THR HA H 39 5.535 4.926 0.609 1 1 434 . 2 1 1 A 39 39 THR C C 39 173.303 174.275 -0.972 1 1 435 . 2 1 1 A 39 39 THR CA C 39 62.037 62.789 -0.752 1 1 436 . 2 1 1 A 39 39 THR CB C 39 70.295 70.157 0.138 1 1 438 . 2 1 1 A 39 39 THR N N 39 127.024 122.190 4.834 1 1 439 . 2 1 1 A 40 40 GLU H H 40 8.902 9.543 -0.641 1 1 440 . 2 1 1 A 40 40 GLU HA H 40 4.816 4.882 -0.066 1 1 445 . 2 1 1 A 40 40 GLU C C 40 175.351 174.743 0.608 1 1 446 . 2 1 1 A 40 40 GLU CA C 40 53.607 54.695 -1.088 1 1 447 . 2 1 1 A 40 40 GLU CB C 40 34.639 33.264 1.375 1 1 449 . 2 1 1 A 40 40 GLU N N 40 120.613 124.955 -4.342 1 1 450 . 2 1 1 A 41 41 LEU H H 41 8.910 9.793 -0.883 1 1 451 . 2 1 1 A 41 41 LEU HA H 41 5.168 5.093 0.075 1 1 461 . 2 1 1 A 41 41 LEU C C 41 174.806 174.991 -0.185 1 1 462 . 2 1 1 A 41 41 LEU CA C 41 53.872 54.477 -0.605 1 1 463 . 2 1 1 A 41 41 LEU CB C 41 43.610 43.455 0.155 1 1 467 . 2 1 1 A 41 41 LEU N N 41 123.682 127.549 -3.867 1 1 468 . 2 1 1 A 42 42 ARG H H 42 9.150 8.826 0.324 1 1 469 . 2 1 1 A 42 42 ARG HA H 42 5.182 4.245 0.937 1 1 474 . 2 1 1 A 42 42 ARG C C 42 176.272 176.368 -0.096 1 1 475 . 2 1 1 A 42 42 ARG CA C 42 53.643 54.671 -1.028 1 1 476 . 2 1 1 A 42 42 ARG CB C 42 33.205 33.307 -0.102 1 1 479 . 2 1 1 A 42 42 ARG N N 42 127.645 125.671 1.974 1 1 480 . 2 1 1 A 43 43 GLY H H 43 6.304 8.307 -2.003 1 1 481 . 2 1 1 A 43 43 GLY HA2 H 43 3.917 3.915 0.002 1 1 482 . 2 1 1 A 43 43 GLY HA3 H 43 3.812 4.094 -0.282 1 1 483 . 2 1 1 A 43 43 GLY C C 43 171.630 174.693 -3.063 1 1 484 . 2 1 1 A 43 43 GLY CA C 43 47.025 47.399 -0.374 1 1 485 . 2 1 1 A 43 43 GLY N N 43 112.565 113.146 -0.581 1 1 486 . 2 1 1 A 44 44 THR H H 44 7.841 8.392 -0.551 1 1 487 . 2 1 1 A 44 44 THR HA H 44 4.313 4.691 -0.378 1 1 492 . 2 1 1 A 44 44 THR C C 44 172.515 173.441 -0.926 1 1 493 . 2 1 1 A 44 44 THR CA C 44 60.207 60.774 -0.567 1 1 494 . 2 1 1 A 44 44 THR CB C 44 68.320 69.830 -1.510 1 1 496 . 2 1 1 A 44 44 THR N N 44 111.769 117.827 -6.058 1 1 497 . 2 1 1 A 45 45 THR H H 45 8.500 7.820 0.680 1 1 498 . 2 1 1 A 45 45 THR HA H 45 4.664 4.822 -0.158 1 1 503 . 2 1 1 A 45 45 THR C C 45 172.224 173.511 -1.287 1 1 504 . 2 1 1 A 45 45 THR CA C 45 62.413 61.711 0.702 1 1 505 . 2 1 1 A 45 45 THR CB C 45 69.848 70.640 -0.792 1 1 507 . 2 1 1 A 45 45 THR N N 45 118.681 116.860 1.821 1 1 508 . 2 1 1 A 46 46 LEU H H 46 8.391 8.665 -0.274 1 1 509 . 2 1 1 A 46 46 LEU HA H 46 4.892 4.420 0.472 1 1 519 . 2 1 1 A 46 46 LEU C C 46 174.260 175.519 -1.259 1 1 520 . 2 1 1 A 46 46 LEU CA C 46 52.654 54.957 -2.303 1 1 521 . 2 1 1 A 46 46 LEU CB C 46 42.911 40.948 1.963 1 1 525 . 2 1 1 A 46 46 LEU N N 46 125.559 128.322 -2.763 1 1 526 . 2 1 1 A 47 47 PHE H H 47 9.131 8.870 0.261 1 1 527 . 2 1 1 A 47 47 PHE HA H 47 3.940 4.644 -0.704 1 1 535 . 2 1 1 A 47 47 PHE C C 47 173.363 174.357 -0.994 1 1 536 . 2 1 1 A 47 47 PHE CA C 47 57.454 55.980 1.474 1 1 537 . 2 1 1 A 47 47 PHE CB C 47 42.747 40.452 2.295 1 1 543 . 2 1 1 A 47 47 PHE N N 47 121.095 123.768 -2.673 1 1 544 . 2 1 1 A 48 48 PHE H H 48 7.881 9.365 -1.484 1 1 545 . 2 1 1 A 48 48 PHE HA H 48 5.021 5.370 -0.349 1 1 553 . 2 1 1 A 48 48 PHE C C 48 173.727 174.472 -0.745 1 1 554 . 2 1 1 A 48 48 PHE CA C 48 56.166 55.681 0.485 1 1 555 . 2 1 1 A 48 48 PHE CB C 48 39.169 41.480 -2.311 1 1 561 . 2 1 1 A 48 48 PHE N N 48 120.063 122.465 -2.402 1 1 562 . 2 1 1 A 49 49 TYR H H 49 9.972 9.047 0.925 1 1 563 . 2 1 1 A 49 49 TYR HA H 49 5.190 5.229 -0.039 1 1 570 . 2 1 1 A 49 49 TYR C C 49 176.587 176.092 0.495 1 1 571 . 2 1 1 A 49 49 TYR CA C 49 56.254 57.021 -0.767 1 1 572 . 2 1 1 A 49 49 TYR CB C 49 41.842 43.502 -1.660 1 1 577 . 2 1 1 A 49 49 TYR N N 49 121.415 120.656 0.759 1 1 578 . 2 1 1 A 50 50 THR H H 50 9.511 9.157 0.354 1 1 579 . 2 1 1 A 50 50 THR HA H 50 4.571 4.699 -0.128 1 1 584 . 2 1 1 A 50 50 THR C C 50 174.793 174.588 0.205 1 1 585 . 2 1 1 A 50 50 THR CA C 50 65.361 63.199 2.162 1 1 586 . 2 1 1 A 50 50 THR CB C 50 69.043 69.403 -0.360 1 1 588 . 2 1 1 A 50 50 THR N N 50 114.446 114.577 -0.131 1 1 589 . 2 1 1 A 51 51 ASP H H 51 7.828 7.966 -0.138 1 1 590 . 2 1 1 A 51 51 ASP HA H 51 4.803 5.029 -0.226 1 1 593 . 2 1 1 A 51 51 ASP C C 51 174.685 175.579 -0.894 1 1 594 . 2 1 1 A 51 51 ASP CA C 51 53.254 53.157 0.097 1 1 595 . 2 1 1 A 51 51 ASP CB C 51 43.586 44.419 -0.833 1 1 596 . 2 1 1 A 51 51 ASP N N 51 115.656 120.218 -4.562 1 1 597 . 2 1 1 A 52 52 LYS H H 52 8.271 8.887 -0.616 1 1 598 . 2 1 1 A 52 52 LYS HA H 52 2.800 3.526 -0.726 1 1 607 . 2 1 1 A 52 52 LYS C C 52 176.671 178.348 -1.677 1 1 608 . 2 1 1 A 52 52 LYS CA C 52 58.372 60.072 -1.700 1 1 609 . 2 1 1 A 52 52 LYS CB C 52 32.178 32.180 -0.002 1 1 613 . 2 1 1 A 52 52 LYS N N 52 119.009 122.864 -3.855 1 1 614 . 2 1 1 A 53 53 LYS H H 53 8.068 8.034 0.034 1 1 615 . 2 1 1 A 53 53 LYS HA H 53 4.109 3.984 0.125 1 1 624 . 2 1 1 A 53 53 LYS C C 53 176.950 177.727 -0.777 1 1 625 . 2 1 1 A 53 53 LYS CA C 53 55.830 59.646 -3.816 1 1 626 . 2 1 1 A 53 53 LYS CB C 53 32.301 32.136 0.165 1 1 630 . 2 1 1 A 53 53 LYS N N 53 116.395 120.267 -3.872 1 1 631 . 2 1 1 A 54 54 SER H H 54 7.549 7.897 -0.348 1 1 632 . 2 1 1 A 54 54 SER HA H 54 4.316 4.363 -0.047 1 1 635 . 2 1 1 A 54 54 SER C C 54 174.394 174.117 0.277 1 1 636 . 2 1 1 A 54 54 SER CA C 54 59.395 60.802 -1.407 1 1 637 . 2 1 1 A 54 54 SER CB C 54 64.337 63.736 0.601 1 1 638 . 2 1 1 A 54 54 SER N N 54 116.653 114.874 1.779 1 1 639 . 2 1 1 A 55 55 ILE H H 55 8.424 9.019 -0.595 1 1 640 . 2 1 1 A 55 55 ILE HA H 55 4.267 4.165 0.102 1 1 650 . 2 1 1 A 55 55 ILE C C 55 174.999 176.485 -1.486 1 1 651 . 2 1 1 A 55 55 ILE CA C 55 62.213 62.890 -0.677 1 1 652 . 2 1 1 A 55 55 ILE CB C 55 38.728 38.867 -0.139 1 1 656 . 2 1 1 A 55 55 ILE N N 55 118.660 126.839 -8.179 1 1 657 . 2 1 1 A 56 56 ILE H H 56 7.771 7.795 -0.024 1 1 658 . 2 1 1 A 56 56 ILE HA H 56 4.561 4.221 0.340 1 1 668 . 2 1 1 A 56 56 ILE C C 56 175.266 175.738 -0.472 1 1 669 . 2 1 1 A 56 56 ILE CA C 56 59.342 61.826 -2.484 1 1 670 . 2 1 1 A 56 56 ILE CB C 56 39.506 38.797 0.709 1 1 674 . 2 1 1 A 56 56 ILE N N 56 119.568 120.612 -1.044 1 1 675 . 2 1 1 A 57 57 TYR H H 57 7.251 8.872 -1.621 1 1 676 . 2 1 1 A 57 57 TYR HA H 57 4.261 4.188 0.073 1 1 683 . 2 1 1 A 57 57 TYR C C 57 174.902 176.236 -1.334 1 1 684 . 2 1 1 A 57 57 TYR CA C 57 56.201 57.492 -1.291 1 1 685 . 2 1 1 A 57 57 TYR CB C 57 37.230 38.901 -1.671 1 1 690 . 2 1 1 A 58 58 VAL H H 58 9.157 8.529 0.628 1 1 691 . 2 1 1 A 58 58 VAL HA H 58 4.251 3.888 0.363 1 1 699 . 2 1 1 A 58 58 VAL C C 58 175.812 174.884 0.928 1 1 700 . 2 1 1 A 58 58 VAL CA C 58 62.360 64.972 -2.612 1 1 701 . 2 1 1 A 58 58 VAL CB C 58 33.123 32.193 0.930 1 1 704 . 2 1 1 A 58 58 VAL N N 58 116.888 121.415 -4.527 1 1 705 . 2 1 1 A 59 59 ASP H H 59 7.990 7.408 0.582 1 1 706 . 2 1 1 A 59 59 ASP HA H 59 4.970 5.242 -0.272 1 1 709 . 2 1 1 A 59 59 ASP C C 59 172.346 173.951 -1.605 1 1 710 . 2 1 1 A 59 59 ASP CA C 59 52.601 53.387 -0.786 1 1 711 . 2 1 1 A 59 59 ASP CB C 59 42.952 44.578 -1.626 1 1 712 . 2 1 1 A 59 59 ASP N N 59 117.301 118.992 -1.691 1 1 713 . 2 1 1 A 60 60 LYS H H 60 8.991 8.902 0.089 1 1 714 . 2 1 1 A 60 60 LYS HA H 60 4.761 5.047 -0.286 1 1 723 . 2 1 1 A 60 60 LYS C C 60 173.666 174.664 -0.998 1 1 724 . 2 1 1 A 60 60 LYS CA C 60 54.718 53.961 0.757 1 1 725 . 2 1 1 A 60 60 LYS CB C 60 35.097 36.237 -1.140 1 1 729 . 2 1 1 A 60 60 LYS N N 60 118.648 118.237 0.411 1 1 730 . 2 1 1 A 61 61 LEU H H 61 8.702 8.623 0.079 1 1 731 . 2 1 1 A 61 61 LEU HA H 61 4.462 5.007 -0.545 1 1 741 . 2 1 1 A 61 61 LEU C C 61 173.630 174.799 -1.169 1 1 742 . 2 1 1 A 61 61 LEU CA C 61 54.065 53.194 0.871 1 1 743 . 2 1 1 A 61 61 LEU CB C 61 47.032 46.610 0.422 1 1 747 . 2 1 1 A 61 61 LEU N N 61 121.890 120.327 1.563 1 1 748 . 2 1 1 A 62 62 ASP H H 62 8.868 8.581 0.287 1 1 749 . 2 1 1 A 62 62 ASP HA H 62 4.841 4.981 -0.140 1 1 752 . 2 1 1 A 62 62 ASP C C 62 178.029 174.970 3.059 1 1 753 . 2 1 1 A 62 62 ASP CA C 62 53.819 53.326 0.493 1 1 754 . 2 1 1 A 62 62 ASP CB C 62 40.772 44.101 -3.329 1 1 755 . 2 1 1 A 62 62 ASP N N 62 128.697 119.319 9.378 1 1 756 . 2 1 1 A 63 63 ILE H H 63 9.261 8.092 1.169 1 1 757 . 2 1 1 A 63 63 ILE HA H 63 4.554 4.587 -0.033 1 1 767 . 2 1 1 A 63 63 ILE C C 63 175.617 176.945 -1.328 1 1 768 . 2 1 1 A 63 63 ILE CA C 63 60.736 60.186 0.550 1 1 769 . 2 1 1 A 63 63 ILE CB C 63 38.364 37.773 0.591 1 1 773 . 2 1 1 A 63 63 ILE N N 63 120.253 120.799 -0.546 1 1 774 . 2 1 1 A 64 64 VAL H H 64 8.010 7.401 0.609 1 1 775 . 2 1 1 A 64 64 VAL HA H 64 3.781 3.897 -0.116 1 1 783 . 2 1 1 A 64 64 VAL C C 64 174.878 176.502 -1.624 1 1 784 . 2 1 1 A 64 64 VAL CA C 64 65.572 64.684 0.888 1 1 785 . 2 1 1 A 64 64 VAL CB C 64 30.532 31.771 -1.239 1 1 788 . 2 1 1 A 64 64 VAL N N 64 122.413 122.629 -0.216 1 1 789 . 2 1 1 A 65 65 ASP H H 65 8.391 7.921 0.470 1 1 790 . 2 1 1 A 65 65 ASP HA H 65 4.841 4.786 0.055 1 1 793 . 2 1 1 A 65 65 ASP C C 65 174.854 175.670 -0.816 1 1 794 . 2 1 1 A 65 65 ASP CA C 65 53.483 53.641 -0.158 1 1 795 . 2 1 1 A 65 65 ASP CB C 65 40.114 40.577 -0.463 1 1 796 . 2 1 1 A 65 65 ASP N N 65 119.308 118.891 0.417 1 1 797 . 2 1 1 A 66 66 LEU H H 66 7.517 7.028 0.489 1 1 798 . 2 1 1 A 66 66 LEU HA H 66 3.962 4.156 -0.194 1 1 808 . 2 1 1 A 66 66 LEU C C 66 176.708 177.185 -0.477 1 1 809 . 2 1 1 A 66 66 LEU CA C 66 57.471 56.455 1.016 1 1 810 . 2 1 1 A 66 66 LEU CB C 66 43.322 42.794 0.528 1 1 814 . 2 1 1 A 66 66 LEU N N 66 120.009 122.651 -2.642 1 1 815 . 2 1 1 A 67 67 THR H H 67 9.329 10.301 -0.972 1 1 816 . 2 1 1 A 67 67 THR HA H 67 4.363 4.418 -0.055 1 1 821 . 2 1 1 A 67 67 THR C C 67 175.145 174.104 1.041 1 1 822 . 2 1 1 A 67 67 THR CA C 67 64.019 63.298 0.721 1 1 823 . 2 1 1 A 67 67 THR CB C 67 69.107 69.272 -0.165 1 1 825 . 2 1 1 A 67 67 THR N N 67 123.534 120.954 2.580 1 1 826 . 2 1 1 A 68 68 CYS H H 68 7.584 7.121 0.463 1 1 827 . 2 1 1 A 68 68 CYS HA H 68 4.604 4.717 -0.113 1 1 830 . 2 1 1 A 68 68 CYS C C 68 170.528 172.300 -1.772 1 1 831 . 2 1 1 A 68 68 CYS CA C 68 57.402 58.649 -1.247 1 1 832 . 2 1 1 A 68 68 CYS CB C 68 29.175 31.105 -1.930 1 1 833 . 2 1 1 A 68 68 CYS N N 68 115.015 116.091 -1.076 1 1 834 . 2 1 1 A 69 69 LEU H H 69 8.730 8.552 0.178 1 1 835 . 2 1 1 A 69 69 LEU HA H 69 5.411 4.921 0.490 1 1 845 . 2 1 1 A 69 69 LEU C C 69 176.356 174.610 1.746 1 1 846 . 2 1 1 A 69 69 LEU CA C 69 54.242 54.431 -0.189 1 1 847 . 2 1 1 A 69 69 LEU CB C 69 44.885 45.919 -1.034 1 1 851 . 2 1 1 A 69 69 LEU N N 69 125.633 122.433 3.200 1 1 852 . 2 1 1 A 70 70 THR H H 70 9.197 8.961 0.236 1 1 853 . 2 1 1 A 70 70 THR HA H 70 4.702 4.794 -0.092 1 1 858 . 2 1 1 A 70 70 THR C C 70 173.582 172.370 1.212 1 1 859 . 2 1 1 A 70 70 THR CA C 70 60.384 59.517 0.867 1 1 860 . 2 1 1 A 70 70 THR CB C 70 70.870 70.811 0.059 1 1 862 . 2 1 1 A 70 70 THR N N 70 120.391 118.463 1.928 1 1 863 . 2 1 1 A 71 71 GLU H H 71 8.965 8.692 0.273 1 1 864 . 2 1 1 A 71 71 GLU HA H 71 4.685 5.436 -0.751 1 1 869 . 2 1 1 A 71 71 GLU C C 71 175.957 175.394 0.563 1 1 870 . 2 1 1 A 71 71 GLU CA C 71 56.254 54.609 1.645 1 1 871 . 2 1 1 A 71 71 GLU CB C 71 31.396 33.344 -1.948 1 1 873 . 2 1 1 A 71 71 GLU N N 71 124.718 121.461 3.257 1 1 874 . 2 1 1 A 72 72 GLN H H 72 8.318 8.509 -0.191 1 1 875 . 2 1 1 A 72 72 GLN HA H 72 4.629 4.673 -0.044 1 1 882 . 2 1 1 A 72 72 GLN C C 72 175.254 175.642 -0.388 1 1 883 . 2 1 1 A 72 72 GLN CA C 72 55.336 55.301 0.035 1 1 884 . 2 1 1 A 72 72 GLN CB C 72 30.533 30.125 0.408 1 1 886 . 2 1 1 A 72 72 GLN N N 72 123.543 123.387 0.156 1 1 888 . 2 1 1 A 73 73 ASN H H 73 8.670 8.770 -0.100 1 1 889 . 2 1 1 A 73 73 ASN HA H 73 4.688 4.698 -0.010 1 1 894 . 2 1 1 A 73 73 ASN C C 73 175.229 175.137 0.092 1 1 895 . 2 1 1 A 73 73 ASN CA C 73 53.607 53.781 -0.174 1 1 896 . 2 1 1 A 73 73 ASN CB C 73 39.169 38.792 0.377 1 1 897 . 2 1 1 A 73 73 ASN N N 73 120.534 123.848 -3.314 1 1 899 . 2 1 1 A 74 74 SER H H 74 8.641 8.921 -0.280 1 1 900 . 2 1 1 A 74 74 SER HA H 74 4.652 4.621 0.031 1 1 903 . 2 1 1 A 74 74 SER C C 74 175.121 172.895 2.226 1 1 904 . 2 1 1 A 74 74 SER CA C 74 58.409 59.599 -1.190 1 1 905 . 2 1 1 A 74 74 SER CB C 74 64.401 65.070 -0.669 1 1 906 . 2 1 1 A 74 74 SER N N 74 117.448 118.019 -0.571 1 1 907 . 2 1 1 A 75 75 THR HA H 75 4.282 4.763 -0.481 1 1 912 . 2 1 1 A 75 75 THR C C 75 174.878 174.081 0.797 1 1 913 . 2 1 1 A 75 75 THR CA C 75 62.819 61.268 1.551 1 1 914 . 2 1 1 A 75 75 THR CB C 75 69.061 71.051 -1.990 1 1 916 . 2 1 1 A 76 76 GLU H H 76 8.156 8.532 -0.376 1 1 917 . 2 1 1 A 76 76 GLU HA H 76 4.350 4.259 0.091 1 1 922 . 2 1 1 A 76 76 GLU C C 76 176.138 176.314 -0.176 1 1 923 . 2 1 1 A 76 76 GLU CA C 76 56.202 56.270 -0.068 1 1 924 . 2 1 1 A 76 76 GLU CB C 76 30.532 29.987 0.545 1 1 926 . 2 1 1 A 76 76 GLU N N 76 122.220 126.034 -3.814 1 1 927 . 2 1 1 A 77 77 LYS H H 77 8.443 8.488 -0.045 1 1 928 . 2 1 1 A 77 77 LYS HA H 77 4.221 4.116 0.105 1 1 937 . 2 1 1 A 77 77 LYS C C 77 176.465 176.493 -0.028 1 1 938 . 2 1 1 A 77 77 LYS CA C 77 56.730 57.779 -1.049 1 1 939 . 2 1 1 A 77 77 LYS CB C 77 32.301 32.741 -0.440 1 1 943 . 2 1 1 A 77 77 LYS N N 77 122.162 122.309 -0.147 1 1 944 . 2 1 1 A 78 78 ASN H H 78 8.621 8.991 -0.370 1 1 945 . 2 1 1 A 78 78 ASN HA H 78 4.641 4.916 -0.275 1 1 950 . 2 1 1 A 78 78 ASN C C 78 173.485 174.485 -1.000 1 1 951 . 2 1 1 A 78 78 ASN CA C 78 53.748 54.529 -0.781 1 1 952 . 2 1 1 A 78 78 ASN CB C 78 38.058 40.882 -2.824 1 1 953 . 2 1 1 A 78 78 ASN N N 78 116.583 124.729 -8.146 1 1 955 . 2 1 1 A 79 79 CYS H H 79 7.551 7.932 -0.381 1 1 956 . 2 1 1 A 79 79 CYS HA H 79 4.371 4.970 -0.599 1 1 959 . 2 1 1 A 79 79 CYS C C 79 172.515 172.385 0.130 1 1 960 . 2 1 1 A 79 79 CYS CA C 79 57.295 56.602 0.693 1 1 961 . 2 1 1 A 79 79 CYS CB C 79 29.628 30.999 -1.371 1 1 962 . 2 1 1 A 79 79 CYS N N 79 112.640 115.289 -2.649 1 1 963 . 2 1 1 A 80 80 ALA H H 80 7.642 7.895 -0.253 1 1 964 . 2 1 1 A 80 80 ALA HA H 80 4.727 5.003 -0.276 1 1 968 . 2 1 1 A 80 80 ALA C C 80 175.314 176.639 -1.325 1 1 969 . 2 1 1 A 80 80 ALA CA C 80 51.330 50.662 0.668 1 1 970 . 2 1 1 A 80 80 ALA CB C 80 21.896 20.619 1.277 1 1 971 . 2 1 1 A 80 80 ALA N N 80 124.099 124.422 -0.323 1 1 972 . 2 1 1 A 81 81 LYS H H 81 8.459 8.684 -0.225 1 1 973 . 2 1 1 A 81 81 LYS HA H 81 5.112 4.807 0.305 1 1 982 . 2 1 1 A 81 81 LYS C C 81 174.781 175.145 -0.364 1 1 983 . 2 1 1 A 81 81 LYS CA C 81 55.283 54.637 0.646 1 1 984 . 2 1 1 A 81 81 LYS CB C 81 36.133 34.782 1.351 1 1 988 . 2 1 1 A 81 81 LYS N N 81 119.796 122.609 -2.813 1 1 989 . 2 1 1 A 82 82 PHE H H 82 8.748 8.163 0.585 1 1 990 . 2 1 1 A 82 82 PHE HA H 82 5.513 5.772 -0.259 1 1 998 . 2 1 1 A 82 82 PHE C C 82 174.357 172.574 1.783 1 1 999 . 2 1 1 A 82 82 PHE CA C 82 55.643 55.941 -0.298 1 1 1000 . 2 1 1 A 82 82 PHE CB C 82 42.089 42.586 -0.497 1 1 1006 . 2 1 1 A 82 82 PHE N N 82 119.073 119.938 -0.865 1 1 1007 . 2 1 1 A 83 83 THR H H 83 9.290 8.891 0.399 1 1 1008 . 2 1 1 A 83 83 THR HA H 83 5.032 5.195 -0.163 1 1 1013 . 2 1 1 A 83 83 THR C C 83 173.472 174.498 -1.026 1 1 1014 . 2 1 1 A 83 83 THR CA C 83 62.113 61.600 0.513 1 1 1015 . 2 1 1 A 83 83 THR CB C 83 71.076 70.490 0.586 1 1 1017 . 2 1 1 A 83 83 THR N N 83 116.845 116.131 0.714 1 1 1018 . 2 1 1 A 84 84 LEU H H 84 9.502 9.383 0.119 1 1 1019 . 2 1 1 A 84 84 LEU HA H 84 4.691 4.592 0.099 1 1 1029 . 2 1 1 A 84 84 LEU C C 84 174.308 176.347 -2.039 1 1 1030 . 2 1 1 A 84 84 LEU CA C 84 54.224 54.694 -0.470 1 1 1031 . 2 1 1 A 84 84 LEU CB C 84 41.636 41.115 0.521 1 1 1035 . 2 1 1 A 84 84 LEU N N 84 125.923 128.570 -2.647 1 1 1036 . 2 1 1 A 85 85 VAL H H 85 8.620 8.633 -0.013 1 1 1037 . 2 1 1 A 85 85 VAL HA H 85 4.151 4.271 -0.120 1 1 1045 . 2 1 1 A 85 85 VAL C C 85 174.188 175.380 -1.192 1 1 1046 . 2 1 1 A 85 85 VAL CA C 85 63.649 62.776 0.873 1 1 1047 . 2 1 1 A 85 85 VAL CB C 85 30.861 31.470 -0.609 1 1 1050 . 2 1 1 A 85 85 VAL N N 85 126.007 125.472 0.535 1 1 1051 . 2 1 1 A 86 86 LEU H H 86 8.534 8.674 -0.140 1 1 1052 . 2 1 1 A 86 86 LEU HA H 86 4.853 4.784 0.069 1 1 1062 . 2 1 1 A 86 86 LEU C C 86 174.878 176.676 -1.798 1 1 1063 . 2 1 1 A 86 86 LEU CA C 86 53.183 51.794 1.389 1 1 1064 . 2 1 1 A 86 86 LEU CB C 86 40.485 44.603 -4.118 1 1 1068 . 2 1 1 A 86 86 LEU N N 86 129.551 128.346 1.205 1 1 1069 . 2 1 1 A 87 87 PRO HA H 87 4.221 4.538 -0.317 1 1 1076 . 2 1 1 A 87 87 PRO C C 87 178.223 177.074 1.149 1 1 1077 . 2 1 1 A 87 87 PRO CA C 87 66.455 64.167 2.288 1 1 1078 . 2 1 1 A 87 87 PRO CB C 87 32.260 31.691 0.569 1 1 1081 . 2 1 1 A 88 88 LYS H H 88 8.414 8.201 0.213 1 1 1082 . 2 1 1 A 88 88 LYS HA H 88 4.548 4.367 0.181 1 1 1091 . 2 1 1 A 88 88 LYS C C 88 176.187 176.599 -0.412 1 1 1092 . 2 1 1 A 88 88 LYS CA C 88 55.071 57.007 -1.936 1 1 1093 . 2 1 1 A 88 88 LYS CB C 88 33.534 34.044 -0.510 1 1 1097 . 2 1 1 A 88 88 LYS N N 88 110.404 116.715 -6.311 1 1 1098 . 2 1 1 A 89 89 GLU H H 89 7.208 7.748 -0.540 1 1 1099 . 2 1 1 A 89 89 GLU HA H 89 4.561 4.716 -0.155 1 1 1104 . 2 1 1 A 89 89 GLU C C 89 172.527 174.333 -1.806 1 1 1105 . 2 1 1 A 89 89 GLU CA C 89 56.007 55.667 0.340 1 1 1106 . 2 1 1 A 89 89 GLU CB C 89 33.082 33.592 -0.510 1 1 1108 . 2 1 1 A 89 89 GLU N N 89 116.828 114.912 1.916 1 1 1109 . 2 1 1 A 90 90 GLU H H 90 8.321 8.513 -0.192 1 1 1110 . 2 1 1 A 90 90 GLU HA H 90 5.249 5.086 0.163 1 1 1115 . 2 1 1 A 90 90 GLU C C 90 176.296 176.192 0.104 1 1 1116 . 2 1 1 A 90 90 GLU CA C 90 54.860 56.026 -1.166 1 1 1117 . 2 1 1 A 90 90 GLU CB C 90 31.972 31.345 0.627 1 1 1119 . 2 1 1 A 90 90 GLU N N 90 119.609 124.172 -4.563 1 1 1120 . 2 1 1 A 91 91 VAL H H 91 8.972 8.543 0.429 1 1 1121 . 2 1 1 A 91 91 VAL HA H 91 4.352 4.695 -0.343 1 1 1129 . 2 1 1 A 91 91 VAL C C 91 174.284 174.689 -0.405 1 1 1130 . 2 1 1 A 91 91 VAL CA C 91 61.284 60.464 0.820 1 1 1131 . 2 1 1 A 91 91 VAL CB C 91 34.891 34.985 -0.094 1 1 1134 . 2 1 1 A 91 91 VAL N N 91 123.947 122.850 1.097 1 1 1135 . 2 1 1 A 92 92 GLN H H 92 8.241 8.575 -0.334 1 1 1136 . 2 1 1 A 92 92 GLN HA H 92 4.930 4.957 -0.027 1 1 1143 . 2 1 1 A 92 92 GLN C C 92 174.115 174.930 -0.815 1 1 1144 . 2 1 1 A 92 92 GLN CA C 92 55.583 54.704 0.879 1 1 1145 . 2 1 1 A 92 92 GLN CB C 92 30.121 30.838 -0.717 1 1 1147 . 2 1 1 A 92 92 GLN N N 92 125.869 126.225 -0.356 1 1 1149 . 2 1 1 A 93 93 LEU H H 93 9.145 8.706 0.439 1 1 1150 . 2 1 1 A 93 93 LEU HA H 93 5.456 5.115 0.341 1 1 1160 . 2 1 1 A 93 93 LEU C C 93 176.256 175.200 1.056 1 1 1161 . 2 1 1 A 93 93 LEU CA C 93 53.801 53.439 0.362 1 1 1162 . 2 1 1 A 93 93 LEU CB C 93 45.913 45.915 -0.002 1 1 1166 . 2 1 1 A 93 93 LEU N N 93 123.952 124.770 -0.818 1 1 1167 . 2 1 1 A 94 94 LYS H H 94 9.255 8.168 1.087 1 1 1168 . 2 1 1 A 94 94 LYS HA H 94 5.452 4.506 0.946 1 1 1177 . 2 1 1 A 94 94 LYS C C 94 174.563 174.512 0.051 1 1 1178 . 2 1 1 A 94 94 LYS CA C 94 54.718 55.167 -0.449 1 1 1179 . 2 1 1 A 94 94 LYS CB C 94 36.571 35.753 0.818 1 1 1183 . 2 1 1 A 94 94 LYS N N 94 124.618 122.046 2.572 1 1 1184 . 2 1 1 A 95 95 THR H H 95 8.582 8.450 0.132 1 1 1185 . 2 1 1 A 95 95 THR HA H 95 4.946 4.929 0.017 1 1 1190 . 2 1 1 A 95 95 THR C C 95 175.278 175.495 -0.217 1 1 1191 . 2 1 1 A 95 95 THR CA C 95 59.908 59.093 0.815 1 1 1192 . 2 1 1 A 95 95 THR CB C 95 70.917 71.683 -0.766 1 1 1194 . 2 1 1 A 95 95 THR N N 95 112.788 116.330 -3.542 1 1 1195 . 2 1 1 A 96 96 GLU H H 96 9.033 8.560 0.473 1 1 1196 . 2 1 1 A 96 96 GLU HA H 96 4.321 4.249 0.072 1 1 1201 . 2 1 1 A 96 96 GLU C C 96 175.435 176.833 -1.398 1 1 1202 . 2 1 1 A 96 96 GLU CA C 96 57.595 58.971 -1.376 1 1 1203 . 2 1 1 A 96 96 GLU CB C 96 30.656 30.861 -0.205 1 1 1205 . 2 1 1 A 96 96 GLU N N 96 117.745 120.899 -3.154 1 1 1206 . 2 1 1 A 97 97 ASN H H 97 7.562 8.121 -0.559 1 1 1207 . 2 1 1 A 97 97 ASN HA H 97 5.074 5.153 -0.079 1 1 1212 . 2 1 1 A 97 97 ASN C C 97 176.575 175.537 1.038 1 1 1213 . 2 1 1 A 97 97 ASN CA C 97 52.195 52.042 0.153 1 1 1214 . 2 1 1 A 97 97 ASN CB C 97 40.485 40.734 -0.249 1 1 1215 . 2 1 1 A 97 97 ASN N N 97 110.462 117.436 -6.974 1 1 1217 . 2 1 1 A 98 98 THR HA H 98 3.916 4.009 -0.093 1 1 1222 . 2 1 1 A 98 98 THR C C 98 176.938 176.171 0.767 1 1 1223 . 2 1 1 A 98 98 THR CA C 98 66.349 66.111 0.238 1 1 1224 . 2 1 1 A 98 98 THR CB C 98 68.638 69.207 -0.569 1 1 1226 . 2 1 1 A 99 99 GLU H H 99 9.316 8.464 0.852 1 1 1227 . 2 1 1 A 99 99 GLU HA H 99 4.221 4.062 0.159 1 1 1232 . 2 1 1 A 99 99 GLU C C 99 179.241 178.776 0.465 1 1 1233 . 2 1 1 A 99 99 GLU CA C 99 60.754 59.469 1.285 1 1 1234 . 2 1 1 A 99 99 GLU CB C 99 28.764 29.607 -0.843 1 1 1236 . 2 1 1 A 99 99 GLU N N 99 125.868 119.845 6.023 1 1 1237 . 2 1 1 A 100 100 SER H H 100 8.739 8.244 0.495 1 1 1238 . 2 1 1 A 100 100 SER HA H 100 4.863 4.352 0.511 1 1 1241 . 2 1 1 A 100 100 SER C C 100 177.411 177.554 -0.143 1 1 1242 . 2 1 1 A 100 100 SER CA C 100 61.037 61.950 -0.913 1 1 1243 . 2 1 1 A 100 100 SER CB C 100 63.879 63.093 0.786 1 1 1244 . 2 1 1 A 100 100 SER N N 100 114.755 114.963 -0.208 1 1 1245 . 2 1 1 A 101 101 GLY H H 101 7.879 8.242 -0.363 1 1 1246 . 2 1 1 A 101 101 GLY HA2 H 101 4.139 3.935 0.204 1 1 1247 . 2 1 1 A 101 101 GLY HA3 H 101 4.012 4.057 -0.045 1 1 1248 . 2 1 1 A 101 101 GLY C C 101 174.611 176.029 -1.418 1 1 1249 . 2 1 1 A 101 101 GLY CA C 101 48.948 47.469 1.479 1 1 1250 . 2 1 1 A 101 101 GLY N N 101 108.940 109.538 -0.598 1 1 1251 . 2 1 1 A 102 102 GLU H H 102 7.801 7.994 -0.193 1 1 1252 . 2 1 1 A 102 102 GLU HA H 102 4.171 4.049 0.122 1 1 1257 . 2 1 1 A 102 102 GLU C C 102 179.084 179.047 0.037 1 1 1258 . 2 1 1 A 102 102 GLU CA C 102 58.601 59.303 -0.702 1 1 1259 . 2 1 1 A 102 102 GLU CB C 102 29.627 29.477 0.150 1 1 1261 . 2 1 1 A 102 102 GLU N N 102 120.720 121.234 -0.514 1 1 1262 . 2 1 1 A 103 103 GLU H H 103 7.781 8.179 -0.398 1 1 1263 . 2 1 1 A 103 103 GLU HA H 103 3.739 3.833 -0.094 1 1 1268 . 2 1 1 A 103 103 GLU C C 103 178.235 178.835 -0.600 1 1 1269 . 2 1 1 A 103 103 GLU CA C 103 60.366 59.151 1.215 1 1 1270 . 2 1 1 A 103 103 GLU CB C 103 30.491 29.119 1.372 1 1 1272 . 2 1 1 A 103 103 GLU N N 103 119.068 119.808 -0.740 1 1 1273 . 2 1 1 A 104 104 TRP H H 104 8.761 8.522 0.239 1 1 1274 . 2 1 1 A 104 104 TRP HA H 104 4.171 4.640 -0.469 1 1 1283 . 2 1 1 A 104 104 TRP C C 104 178.817 178.799 0.018 1 1 1284 . 2 1 1 A 104 104 TRP CA C 104 62.290 60.401 1.889 1 1 1285 . 2 1 1 A 104 104 TRP CB C 104 29.340 29.637 -0.297 1 1 1291 . 2 1 1 A 104 104 TRP N N 104 118.358 121.348 -2.990 1 1 1293 . 2 1 1 A 105 105 ARG H H 105 8.400 8.678 -0.278 1 1 1294 . 2 1 1 A 105 105 ARG HA H 105 3.481 3.710 -0.229 1 1 1302 . 2 1 1 A 105 105 ARG C C 105 177.666 179.328 -1.662 1 1 1303 . 2 1 1 A 105 105 ARG CA C 105 60.666 59.515 1.151 1 1 1304 . 2 1 1 A 105 105 ARG CB C 105 30.162 30.212 -0.050 1 1 1307 . 2 1 1 A 105 105 ARG N N 105 117.098 119.391 -2.293 1 1 1309 . 2 1 1 A 106 106 GLY H H 106 8.202 8.813 -0.611 1 1 1310 . 2 1 1 A 106 106 GLY HA2 H 106 3.470 3.585 -0.115 1 1 1311 . 2 1 1 A 106 106 GLY HA3 H 106 3.382 3.641 -0.259 1 1 1312 . 2 1 1 A 106 106 GLY C C 106 176.162 176.454 -0.292 1 1 1313 . 2 1 1 A 106 106 GLY CA C 106 47.554 47.171 0.383 1 1 1314 . 2 1 1 A 106 106 GLY N N 106 104.212 107.180 -2.968 1 1 1315 . 2 1 1 A 107 107 PHE H H 107 8.491 8.486 0.005 1 1 1316 . 2 1 1 A 107 107 PHE HA H 107 3.722 4.495 -0.773 1 1 1324 . 2 1 1 A 107 107 PHE C C 107 177.265 178.076 -0.811 1 1 1325 . 2 1 1 A 107 107 PHE CA C 107 64.284 59.443 4.841 1 1 1326 . 2 1 1 A 107 107 PHE CB C 107 39.209 38.080 1.129 1 1 1332 . 2 1 1 A 107 107 PHE N N 107 122.710 120.638 2.072 1 1 1333 . 2 1 1 A 108 108 ILE H H 108 8.674 9.129 -0.455 1 1 1334 . 2 1 1 A 108 108 ILE HA H 108 3.523 3.711 -0.188 1 1 1344 . 2 1 1 A 108 108 ILE C C 108 178.623 178.064 0.559 1 1 1345 . 2 1 1 A 108 108 ILE CA C 108 66.384 65.048 1.336 1 1 1346 . 2 1 1 A 108 108 ILE CB C 108 37.852 37.890 -0.038 1 1 1350 . 2 1 1 A 108 108 ILE N N 108 117.395 120.550 -3.155 1 1 1351 . 2 1 1 A 109 109 LEU H H 109 8.378 8.626 -0.248 1 1 1352 . 2 1 1 A 109 109 LEU HA H 109 4.032 4.290 -0.258 1 1 1362 . 2 1 1 A 109 109 LEU C C 109 178.635 179.466 -0.831 1 1 1363 . 2 1 1 A 109 109 LEU CA C 109 57.878 57.713 0.165 1 1 1364 . 2 1 1 A 109 109 LEU CB C 109 40.854 41.567 -0.713 1 1 1368 . 2 1 1 A 109 109 LEU N N 109 118.573 119.238 -0.665 1 1 1369 . 2 1 1 A 110 110 THR H H 110 7.600 7.539 0.061 1 1 1370 . 2 1 1 A 110 110 THR HA H 110 4.110 4.516 -0.406 1 1 1375 . 2 1 1 A 110 110 THR C C 110 177.265 175.993 1.272 1 1 1376 . 2 1 1 A 110 110 THR CA C 110 68.325 66.043 2.282 1 1 1377 . 2 1 1 A 110 110 THR CB C 110 68.230 69.084 -0.854 1 1 1379 . 2 1 1 A 110 110 THR N N 110 115.926 114.829 1.097 1 1 1380 . 2 1 1 A 111 111 VAL H H 111 7.490 7.862 -0.372 1 1 1381 . 2 1 1 A 111 111 VAL HA H 111 3.912 4.128 -0.216 1 1 1389 . 2 1 1 A 111 111 VAL C C 111 174.793 176.699 -1.906 1 1 1390 . 2 1 1 A 111 111 VAL CA C 111 64.601 61.215 3.386 1 1 1391 . 2 1 1 A 111 111 VAL CB C 111 32.007 31.579 0.428 1 1 1394 . 2 1 1 A 111 111 VAL N N 111 109.123 115.655 -6.532 1 1 1395 . 2 1 1 A 112 112 THR H H 112 7.410 7.645 -0.235 1 1 1396 . 2 1 1 A 112 112 THR HA H 112 4.494 4.562 -0.068 1 1 1401 . 2 1 1 A 112 112 THR C C 112 177.265 175.436 1.829 1 1 1402 . 2 1 1 A 112 112 THR CA C 112 62.784 62.149 0.635 1 1 1403 . 2 1 1 A 112 112 THR CB C 112 69.290 70.486 -1.196 1 1 1405 . 2 1 1 A 112 112 THR N N 112 107.046 112.303 -5.257 1 1 1406 . 2 1 1 A 113 113 GLU H H 113 8.541 8.529 0.012 1 1 1407 . 2 1 1 A 113 113 GLU HA H 113 4.280 4.307 -0.027 1 1 1412 . 2 1 1 A 113 113 GLU C C 113 176.745 175.869 0.876 1 1 1413 . 2 1 1 A 113 113 GLU CA C 113 57.048 56.365 0.683 1 1 1414 . 2 1 1 A 113 113 GLU CB C 113 29.422 30.361 -0.939 1 1 1416 . 2 1 1 A 113 113 GLU N N 113 120.888 120.048 0.840 1 1 1417 . 2 1 1 A 114 114 LEU H H 114 7.561 7.526 0.035 1 1 1418 . 2 1 1 A 114 114 LEU HA H 114 4.042 4.096 -0.054 1 1 1428 . 2 1 1 A 114 114 LEU C C 114 175.569 175.515 0.054 1 1 1429 . 2 1 1 A 114 114 LEU CA C 114 55.213 56.176 -0.963 1 1 1430 . 2 1 1 A 114 114 LEU CB C 114 38.182 40.648 -2.466 1 1 1434 . 2 1 1 A 114 114 LEU N N 114 114.453 119.153 -4.700 1 1 1435 . 2 1 1 A 115 115 SER H H 115 7.113 7.566 -0.453 1 1 1436 . 2 1 1 A 115 115 SER HA H 115 4.315 4.765 -0.450 1 1 1439 . 2 1 1 A 115 115 SER C C 115 173.521 172.246 1.275 1 1 1440 . 2 1 1 A 115 115 SER CA C 115 57.454 55.746 1.708 1 1 1441 . 2 1 1 A 115 115 SER CB C 115 64.505 64.886 -0.381 1 1 1442 . 2 1 1 A 115 115 SER N N 115 110.010 112.542 -2.532 1 1 1443 . 2 1 1 A 116 116 VAL H H 116 8.635 8.452 0.183 1 1 1444 . 2 1 1 A 116 116 VAL HA H 116 4.210 4.433 -0.223 1 1 1452 . 2 1 1 A 116 116 VAL C C 116 175.024 174.038 0.986 1 1 1453 . 2 1 1 A 116 116 VAL CA C 116 60.948 58.772 2.176 1 1 1454 . 2 1 1 A 116 116 VAL CB C 116 32.177 35.006 -2.829 1 1 1457 . 2 1 1 A 116 116 VAL N N 116 129.442 120.727 8.715 1 1 1458 . 2 1 1 A 117 117 PRO HA H 117 4.381 4.773 -0.392 1 1 1465 . 2 1 1 A 117 117 PRO C C 117 176.478 177.380 -0.902 1 1 1466 . 2 1 1 A 117 117 PRO CA C 117 62.678 62.349 0.329 1 1 1467 . 2 1 1 A 117 117 PRO CB C 117 31.931 31.684 0.247 1 1 1470 . 2 1 1 A 118 118 GLN H H 118 8.576 8.853 -0.277 1 1 1471 . 2 1 1 A 118 118 GLN HA H 118 4.282 4.475 -0.193 1 1 1478 . 2 1 1 A 118 118 GLN C C 118 176.575 175.670 0.905 1 1 1479 . 2 1 1 A 118 118 GLN CA C 118 55.866 55.836 0.030 1 1 1480 . 2 1 1 A 118 118 GLN CB C 118 29.704 29.511 0.193 1 1 1482 . 2 1 1 A 118 118 GLN N N 118 118.498 121.578 -3.080 1 1 1484 . 2 1 1 A 119 119 ASN H H 119 8.444 7.925 0.519 1 1 1485 . 2 1 1 A 119 119 ASN HA H 119 4.727 4.915 -0.188 1 1 1490 . 2 1 1 A 119 119 ASN C C 119 174.842 174.113 0.729 1 1 1491 . 2 1 1 A 119 119 ASN CA C 119 52.812 52.279 0.533 1 1 1492 . 2 1 1 A 119 119 ASN CB C 119 37.071 39.119 -2.048 1 1 1493 . 2 1 1 A 119 119 ASN N N 119 117.223 118.013 -0.790 1 1 1495 . 2 1 1 A 120 120 VAL H H 120 7.182 7.652 -0.470 1 1 1496 . 2 1 1 A 120 120 VAL HA H 120 4.381 4.613 -0.232 1 1 1504 . 2 1 1 A 120 120 VAL C C 120 175.484 175.821 -0.337 1 1 1505 . 2 1 1 A 120 120 VAL CA C 120 60.048 59.423 0.625 1 1 1506 . 2 1 1 A 120 120 VAL CB C 120 34.028 34.740 -0.712 1 1 1509 . 2 1 1 A 120 120 VAL N N 120 114.038 117.121 -3.083 1 1 1510 . 2 1 1 A 121 121 SER H H 121 9.313 8.664 0.649 1 1 1511 . 2 1 1 A 121 121 SER HA H 121 4.552 4.424 0.128 1 1 1514 . 2 1 1 A 121 121 SER C C 121 173.096 174.711 -1.615 1 1 1515 . 2 1 1 A 121 121 SER CA C 121 57.119 59.784 -2.665 1 1 1516 . 2 1 1 A 121 121 SER CB C 121 62.528 63.730 -1.202 1 1 1517 . 2 1 1 A 121 121 SER N N 121 122.117 117.414 4.703 1 1 1518 . 2 1 1 A 122 122 LEU H H 122 7.470 7.372 0.098 1 1 1519 . 2 1 1 A 122 122 LEU HA H 122 4.618 4.190 0.428 1 1 1529 . 2 1 1 A 122 122 LEU C C 122 176.526 176.793 -0.267 1 1 1530 . 2 1 1 A 122 122 LEU CA C 122 52.795 55.129 -2.334 1 1 1531 . 2 1 1 A 122 122 LEU CB C 122 45.790 42.175 3.615 1 1 1535 . 2 1 1 A 122 122 LEU N N 122 122.878 124.082 -1.204 1 1 1536 . 2 1 1 A 123 123 LEU H H 123 8.765 8.351 0.414 1 1 1537 . 2 1 1 A 123 123 LEU HA H 123 4.574 4.730 -0.156 1 1 1547 . 2 1 1 A 123 123 LEU C C 123 176.769 177.173 -0.404 1 1 1548 . 2 1 1 A 123 123 LEU CA C 123 53.748 52.445 1.303 1 1 1549 . 2 1 1 A 123 123 LEU CB C 123 40.649 43.369 -2.720 1 1 1553 . 2 1 1 A 123 123 LEU N N 123 122.054 121.577 0.477 1 1 1554 . 2 1 1 A 124 124 PRO HA H 124 4.232 4.475 -0.243 1 1 1561 . 2 1 1 A 124 124 PRO CA C 124 66.281 64.341 1.940 1 1 1562 . 2 1 1 A 124 124 PRO CB C 124 31.945 31.809 0.136 1 1 1565 . 2 1 1 A 125 125 GLY HA2 H 125 3.901 3.886 0.015 1 1 1566 . 2 1 1 A 125 125 GLY HA3 H 125 3.901 3.888 0.013 1 1 1567 . 2 1 1 A 125 125 GLY C C 125 176.696 175.623 1.073 1 1 1568 . 2 1 1 A 125 125 GLY CA C 125 46.724 46.295 0.429 1 1 1569 . 2 1 1 A 126 126 GLN H H 126 7.495 7.901 -0.406 1 1 1570 . 2 1 1 A 126 126 GLN HA H 126 4.261 4.230 0.031 1 1 1577 . 2 1 1 A 126 126 GLN C C 126 178.235 177.837 0.398 1 1 1578 . 2 1 1 A 126 126 GLN CA C 126 57.807 58.455 -0.648 1 1 1579 . 2 1 1 A 126 126 GLN CB C 126 30.039 29.371 0.668 1 1 1581 . 2 1 1 A 126 126 GLN N N 126 120.404 120.287 0.117 1 1 1583 . 2 1 1 A 127 127 VAL H H 127 7.839 8.072 -0.233 1 1 1584 . 2 1 1 A 127 127 VAL HA H 127 3.360 3.426 -0.066 1 1 1592 . 2 1 1 A 127 127 VAL C C 127 178.441 177.788 0.653 1 1 1593 . 2 1 1 A 127 127 VAL CA C 127 67.231 66.452 0.779 1 1 1594 . 2 1 1 A 127 127 VAL CB C 127 31.948 31.426 0.522 1 1 1597 . 2 1 1 A 127 127 VAL N N 127 121.180 120.260 0.920 1 1 1598 . 2 1 1 A 128 128 ILE H H 128 7.725 7.655 0.070 1 1 1599 . 2 1 1 A 128 128 ILE HA H 128 3.820 3.641 0.179 1 1 1609 . 2 1 1 A 128 128 ILE C C 128 178.599 177.959 0.640 1 1 1610 . 2 1 1 A 128 128 ILE CA C 128 64.978 65.618 -0.640 1 1 1611 . 2 1 1 A 128 128 ILE CB C 128 37.976 37.662 0.314 1 1 1615 . 2 1 1 A 128 128 ILE N N 128 119.369 120.293 -0.924 1 1 1616 . 2 1 1 A 129 129 LYS H H 129 7.204 7.691 -0.487 1 1 1617 . 2 1 1 A 129 129 LYS HA H 129 4.241 3.952 0.289 1 1 1626 . 2 1 1 A 129 129 LYS C C 129 178.902 179.200 -0.298 1 1 1627 . 2 1 1 A 129 129 LYS CA C 129 58.690 59.392 -0.702 1 1 1628 . 2 1 1 A 129 129 LYS CB C 129 31.725 32.294 -0.569 1 1 1632 . 2 1 1 A 129 129 LYS N N 129 119.356 118.892 0.464 1 1 1633 . 2 1 1 A 130 130 LEU H H 130 7.750 7.643 0.107 1 1 1634 . 2 1 1 A 130 130 LEU HA H 130 3.649 3.772 -0.123 1 1 1644 . 2 1 1 A 130 130 LEU C C 130 178.756 178.917 -0.161 1 1 1645 . 2 1 1 A 130 130 LEU CA C 130 57.913 57.720 0.193 1 1 1646 . 2 1 1 A 130 130 LEU CB C 130 40.197 41.213 -1.016 1 1 1650 . 2 1 1 A 130 130 LEU N N 130 118.271 119.748 -1.477 1 1 1651 . 2 1 1 A 131 131 HIS H H 131 7.732 7.886 -0.154 1 1 1652 . 2 1 1 A 131 131 HIS HA H 131 3.918 4.127 -0.209 1 1 1657 . 2 1 1 A 131 131 HIS C C 131 178.392 177.720 0.672 1 1 1658 . 2 1 1 A 131 131 HIS CA C 131 61.019 59.633 1.386 1 1 1659 . 2 1 1 A 131 131 HIS CB C 131 29.951 29.646 0.305 1 1 1662 . 2 1 1 A 131 131 HIS N N 131 117.308 117.154 0.154 1 1 1663 . 2 1 1 A 132 132 GLU H H 132 8.030 8.883 -0.853 1 1 1664 . 2 1 1 A 132 132 GLU HA H 132 4.097 3.946 0.151 1 1 1669 . 2 1 1 A 132 132 GLU C C 132 179.907 179.240 0.667 1 1 1670 . 2 1 1 A 132 132 GLU CA C 132 59.660 59.363 0.297 1 1 1671 . 2 1 1 A 132 132 GLU CB C 132 29.627 29.415 0.212 1 1 1673 . 2 1 1 A 132 132 GLU N N 132 121.443 118.945 2.498 1 1 1674 . 2 1 1 A 133 133 VAL H H 133 8.250 9.034 -0.784 1 1 1675 . 2 1 1 A 133 133 VAL HA H 133 3.352 3.180 0.172 1 1 1683 . 2 1 1 A 133 133 VAL C C 133 176.575 177.977 -1.402 1 1 1684 . 2 1 1 A 133 133 VAL CA C 133 66.367 66.237 0.130 1 1 1685 . 2 1 1 A 133 133 VAL CB C 133 31.203 31.295 -0.092 1 1 1688 . 2 1 1 A 133 133 VAL N N 133 121.281 120.344 0.937 1 1 1689 . 2 1 1 A 134 134 LEU H H 134 8.259 8.275 -0.016 1 1 1690 . 2 1 1 A 134 134 LEU HA H 134 3.645 3.839 -0.194 1 1 1700 . 2 1 1 A 134 134 LEU C C 134 177.980 178.224 -0.244 1 1 1701 . 2 1 1 A 134 134 LEU CA C 134 58.154 58.639 -0.485 1 1 1702 . 2 1 1 A 134 134 LEU CB C 134 40.320 41.953 -1.633 1 1 1706 . 2 1 1 A 134 134 LEU N N 134 120.134 120.384 -0.250 1 1 1707 . 2 1 1 A 135 135 GLU H H 135 7.611 8.325 -0.714 1 1 1708 . 2 1 1 A 135 135 GLU HA H 135 3.972 3.914 0.058 1 1 1713 . 2 1 1 A 135 135 GLU C C 135 179.834 179.342 0.492 1 1 1714 . 2 1 1 A 135 135 GLU CA C 135 59.325 59.844 -0.519 1 1 1715 . 2 1 1 A 135 135 GLU CB C 135 29.134 29.464 -0.330 1 1 1717 . 2 1 1 A 135 135 GLU N N 135 116.026 117.762 -1.736 1 1 1718 . 2 1 1 A 136 136 ARG H H 136 7.789 8.395 -0.606 1 1 1719 . 2 1 1 A 136 136 ARG HA H 136 4.140 4.141 -0.001 1 1 1726 . 2 1 1 A 136 136 ARG C C 136 179.083 179.177 -0.094 1 1 1727 . 2 1 1 A 136 136 ARG CA C 136 59.131 59.589 -0.458 1 1 1728 . 2 1 1 A 136 136 ARG CB C 136 30.368 30.130 0.238 1 1 1731 . 2 1 1 A 136 136 ARG N N 136 119.681 119.871 -0.190 1 1 1732 . 2 1 1 A 137 137 GLU H H 137 9.238 8.472 0.766 1 1 1733 . 2 1 1 A 137 137 GLU HA H 137 4.637 4.171 0.466 1 1 1738 . 2 1 1 A 137 137 GLU C C 137 178.817 178.772 0.045 1 1 1739 . 2 1 1 A 137 137 GLU CA C 137 58.036 59.192 -1.156 1 1 1740 . 2 1 1 A 137 137 GLU CB C 137 28.147 28.597 -0.450 1 1 1742 . 2 1 1 A 137 137 GLU N N 137 124.333 118.449 5.884 1 1 1743 . 2 1 1 A 138 138 LYS H H 138 8.788 8.430 0.358 1 1 1744 . 2 1 1 A 138 138 LYS HA H 138 3.899 3.980 -0.081 1 1 1753 . 2 1 1 A 138 138 LYS C C 138 179.944 179.443 0.501 1 1 1754 . 2 1 1 A 138 138 LYS CA C 138 60.754 59.736 1.018 1 1 1755 . 2 1 1 A 138 138 LYS CB C 138 32.789 32.268 0.521 1 1 1759 . 2 1 1 A 138 138 LYS N N 138 119.622 119.848 -0.226 1 1 1760 . 2 1 1 A 139 139 LYS H H 139 7.313 7.800 -0.487 1 1 1761 . 2 1 1 A 139 139 LYS HA H 139 4.070 3.895 0.175 1 1 1770 . 2 1 1 A 139 139 LYS C C 139 178.235 179.020 -0.785 1 1 1771 . 2 1 1 A 139 139 LYS CA C 139 59.166 60.040 -0.874 1 1 1772 . 2 1 1 A 139 139 LYS CB C 139 32.424 32.220 0.204 1 1 1776 . 2 1 1 A 139 139 LYS N N 139 117.326 119.271 -1.945 1 1 1777 . 2 1 1 A 140 140 ARG H H 140 8.344 7.975 0.369 1 1 1778 . 2 1 1 A 140 140 ARG HA H 140 4.080 4.006 0.074 1 1 1786 . 2 1 1 A 140 140 ARG C C 140 179.531 178.991 0.540 1 1 1787 . 2 1 1 A 140 140 ARG CA C 140 59.184 59.737 -0.553 1 1 1788 . 2 1 1 A 140 140 ARG CB C 140 31.190 29.944 1.246 1 1 1791 . 2 1 1 A 140 140 ARG N N 140 121.404 119.476 1.928 1 1 1793 . 2 1 1 A 141 141 ARG H H 141 8.171 8.235 -0.064 1 1 1794 . 2 1 1 A 141 141 ARG HA H 141 4.034 4.076 -0.042 1 1 1802 . 2 1 1 A 141 141 ARG C C 141 178.671 178.809 -0.138 1 1 1803 . 2 1 1 A 141 141 ARG CA C 141 58.337 58.903 -0.566 1 1 1804 . 2 1 1 A 141 141 ARG CB C 141 30.327 30.006 0.321 1 1 1807 . 2 1 1 A 141 141 ARG N N 141 115.667 118.732 -3.065 1 1 1809 . 2 1 1 A 142 142 ILE H H 142 7.521 8.953 -1.432 1 1 1810 . 2 1 1 A 142 142 ILE HA H 142 4.074 3.684 0.390 1 1 1820 . 2 1 1 A 142 142 ILE C C 142 177.787 177.842 -0.055 1 1 1821 . 2 1 1 A 142 142 ILE CA C 142 63.178 64.891 -1.713 1 1 1822 . 2 1 1 A 142 142 ILE CB C 142 38.346 37.874 0.472 1 1 1826 . 2 1 1 A 142 142 ILE N N 142 118.031 120.751 -2.720 1 1 1827 . 2 1 1 A 143 143 GLU H H 143 8.041 8.507 -0.466 1 1 1828 . 2 1 1 A 143 143 GLU HA H 143 4.251 3.999 0.252 1 1 1833 . 2 1 1 A 143 143 GLU C C 143 177.217 177.930 -0.713 1 1 1834 . 2 1 1 A 143 143 GLU CA C 143 57.595 59.631 -2.036 1 1 1835 . 2 1 1 A 143 143 GLU CB C 143 29.998 29.119 0.879 1 1 1837 . 2 1 1 A 143 143 GLU N N 143 120.963 120.448 0.515 1 1 1838 . 2 1 1 A 144 144 SER H H 144 8.041 8.053 -0.012 1 1 1839 . 2 1 1 A 144 144 SER HA H 144 4.538 4.484 0.054 1 1 1842 . 2 1 1 A 144 144 SER C C 144 174.721 173.882 0.839 1 1 1843 . 2 1 1 A 144 144 SER CA C 144 58.801 58.906 -0.105 1 1 1844 . 2 1 1 A 144 144 SER CB C 144 64.126 62.268 1.858 1 1 1845 . 2 1 1 A 144 144 SER N N 144 114.646 116.051 -1.405 1 1 1846 . 2 1 1 A 145 145 GLY H H 145 7.982 8.587 -0.605 1 1 1847 . 2 1 1 A 145 145 GLY HA2 H 145 4.102 4.074 0.028 1 1 1848 . 2 1 1 A 145 145 GLY HA3 H 145 4.231 4.075 0.156 1 1 1849 . 2 1 1 A 145 145 GLY C C 145 171.800 173.817 -2.017 1 1 1850 . 2 1 1 A 145 145 GLY CA C 145 44.854 44.266 0.588 1 1 1851 . 2 1 1 A 145 145 GLY N N 145 110.299 113.082 -2.783 1 1 1852 . 2 1 1 A 146 146 PRO HA H 146 4.510 4.646 -0.136 1 1 1859 . 2 1 1 A 146 146 PRO C C 146 177.496 175.581 1.915 1 1 1860 . 2 1 1 A 146 146 PRO CA C 146 63.313 62.358 0.955 1 1 1861 . 2 1 1 A 146 146 PRO CB C 146 32.177 29.008 3.169 1 1 1864 . 2 1 1 A 147 147 SER H H 147 8.530 8.253 0.277 1 1 1865 . 2 1 1 A 147 147 SER C C 147 174.721 173.731 0.990 1 1 1866 . 2 1 1 A 147 147 SER CA C 147 58.390 56.808 1.582 1 1 1867 . 2 1 1 A 147 147 SER CB C 147 63.803 65.187 -1.384 1 1 1868 . 2 1 1 A 147 147 SER N N 147 116.436 115.236 1.200 1 1 1869 . 2 1 1 A 148 148 SER H H 148 8.348 8.660 -0.312 1 1 1870 . 2 1 1 A 148 148 SER C C 148 173.957 174.315 -0.358 1 1 1871 . 2 1 1 A 148 148 SER CA C 148 58.372 56.730 1.642 1 1 1872 . 2 1 1 A 148 148 SER CB C 148 64.008 65.017 -1.009 1 1 1 . 3 1 1 A 8 8 GLN HA H 8 4.221 4.719 -0.498 1 1 8 . 3 1 1 A 8 8 GLN CA C 8 56.851 54.450 2.401 1 1 9 . 3 1 1 A 8 8 GLN CB C 8 28.887 29.549 -0.662 1 1 12 . 3 1 1 A 9 9 GLU H H 9 8.480 8.583 -0.103 1 1 13 . 3 1 1 A 9 9 GLU HA H 9 4.166 4.206 -0.040 1 1 18 . 3 1 1 A 9 9 GLU CA C 9 58.333 57.424 0.909 1 1 19 . 3 1 1 A 9 9 GLU CB C 9 29.545 29.919 -0.374 1 1 21 . 3 1 1 A 9 9 GLU N N 9 121.149 124.266 -3.117 1 1 22 . 3 1 1 A 10 10 ARG H H 10 8.336 8.545 -0.209 1 1 23 . 3 1 1 A 10 10 ARG HA H 10 4.131 4.573 -0.442 1 1 30 . 3 1 1 A 10 10 ARG C C 10 177.350 175.308 2.042 1 1 31 . 3 1 1 A 10 10 ARG CA C 10 57.731 56.032 1.699 1 1 32 . 3 1 1 A 10 10 ARG CB C 10 30.061 30.793 -0.732 1 1 35 . 3 1 1 A 10 10 ARG N N 10 120.177 125.418 -5.241 1 1 36 . 3 1 1 A 11 11 LEU H H 11 7.741 8.852 -1.111 1 1 37 . 3 1 1 A 11 11 LEU HA H 11 4.219 4.602 -0.383 1 1 44 . 3 1 1 A 11 11 LEU CA C 11 56.781 54.287 2.494 1 1 45 . 3 1 1 A 11 11 LEU CB C 11 41.875 42.611 -0.736 1 1 49 . 3 1 1 A 11 11 LEU N N 11 120.410 127.036 -6.626 1 1 50 . 3 1 1 A 12 12 LYS H H 12 7.816 8.549 -0.733 1 1 51 . 3 1 1 A 12 12 LYS HA H 12 4.091 4.951 -0.860 1 1 60 . 3 1 1 A 12 12 LYS CA C 12 58.234 55.052 3.182 1 1 61 . 3 1 1 A 12 12 LYS CB C 12 32.530 35.638 -3.108 1 1 65 . 3 1 1 A 12 12 LYS N N 12 119.365 120.399 -1.034 1 1 66 . 3 1 1 A 13 13 ILE H H 13 7.851 8.626 -0.775 1 1 67 . 3 1 1 A 13 13 ILE HA H 13 3.951 4.189 -0.238 1 1 77 . 3 1 1 A 13 13 ILE C C 13 176.914 174.283 2.631 1 1 78 . 3 1 1 A 13 13 ILE CA C 13 62.713 63.040 -0.327 1 1 79 . 3 1 1 A 13 13 ILE CB C 13 38.264 37.015 1.249 1 1 83 . 3 1 1 A 14 14 THR H H 14 7.750 8.953 -1.203 1 1 84 . 3 1 1 A 14 14 THR HA H 14 4.021 4.824 -0.803 1 1 88 . 3 1 1 A 14 14 THR C C 14 174.818 173.068 1.750 1 1 89 . 3 1 1 A 14 14 THR CA C 14 63.172 61.135 2.037 1 1 90 . 3 1 1 A 14 14 THR CB C 14 68.985 72.492 -3.507 1 1 92 . 3 1 1 A 14 14 THR N N 14 110.999 119.635 -8.636 1 1 93 . 3 1 1 A 15 15 ALA H H 15 7.922 8.749 -0.827 1 1 94 . 3 1 1 A 15 15 ALA HA H 15 4.141 4.619 -0.478 1 1 98 . 3 1 1 A 15 15 ALA C C 15 177.593 176.627 0.966 1 1 99 . 3 1 1 A 15 15 ALA CA C 15 53.007 51.552 1.455 1 1 100 . 3 1 1 A 15 15 ALA CB C 15 18.747 19.281 -0.534 1 1 101 . 3 1 1 A 15 15 ALA N N 15 122.429 128.881 -6.452 1 1 102 . 3 1 1 A 16 16 LEU H H 16 7.442 8.114 -0.672 1 1 103 . 3 1 1 A 16 16 LEU HA H 16 4.653 4.816 -0.163 1 1 112 . 3 1 1 A 16 16 LEU C C 16 173.182 174.751 -1.569 1 1 113 . 3 1 1 A 16 16 LEU CA C 16 51.524 51.150 0.374 1 1 114 . 3 1 1 A 16 16 LEU CB C 16 45.831 45.273 0.558 1 1 118 . 3 1 1 A 16 16 LEU N N 16 120.226 124.718 -4.492 1 1 119 . 3 1 1 A 17 17 PRO HA H 17 4.140 4.701 -0.561 1 1 126 . 3 1 1 A 17 17 PRO C C 17 174.296 176.330 -2.034 1 1 127 . 3 1 1 A 17 17 PRO CA C 17 62.007 62.310 -0.303 1 1 128 . 3 1 1 A 17 17 PRO CB C 17 32.013 31.715 0.298 1 1 131 . 3 1 1 A 18 18 LEU H H 18 8.071 8.139 -0.068 1 1 132 . 3 1 1 A 18 18 LEU HA H 18 4.097 4.000 0.097 1 1 142 . 3 1 1 A 18 18 LEU C C 18 176.974 175.695 1.279 1 1 143 . 3 1 1 A 18 18 LEU CA C 18 55.043 55.838 -0.795 1 1 144 . 3 1 1 A 18 18 LEU CB C 18 42.376 42.496 -0.120 1 1 148 . 3 1 1 A 18 18 LEU N N 18 119.963 123.845 -3.882 1 1 149 . 3 1 1 A 19 19 TYR H H 19 9.108 8.860 0.248 1 1 150 . 3 1 1 A 19 19 TYR HA H 19 5.121 4.754 0.367 1 1 157 . 3 1 1 A 19 19 TYR C C 19 174.515 175.228 -0.713 1 1 158 . 3 1 1 A 19 19 TYR CA C 19 55.160 59.056 -3.896 1 1 159 . 3 1 1 A 19 19 TYR CB C 19 39.292 40.801 -1.509 1 1 164 . 3 1 1 A 19 19 TYR N N 19 127.955 124.651 3.304 1 1 165 . 3 1 1 A 20 20 PHE H H 20 7.560 6.947 0.613 1 1 166 . 3 1 1 A 20 20 PHE HA H 20 4.281 4.442 -0.161 1 1 174 . 3 1 1 A 20 20 PHE C C 20 171.170 172.985 -1.815 1 1 175 . 3 1 1 A 20 20 PHE CA C 20 57.031 57.741 -0.710 1 1 176 . 3 1 1 A 20 20 PHE CB C 20 40.937 41.307 -0.370 1 1 182 . 3 1 1 A 20 20 PHE N N 20 115.328 117.466 -2.138 1 1 183 . 3 1 1 A 21 21 GLU H H 21 5.556 8.487 -2.931 1 1 184 . 3 1 1 A 21 21 GLU HA H 21 5.191 4.850 0.341 1 1 189 . 3 1 1 A 21 21 GLU C C 21 173.024 174.409 -1.385 1 1 190 . 3 1 1 A 21 21 GLU CA C 21 53.025 53.919 -0.894 1 1 191 . 3 1 1 A 21 21 GLU CB C 21 31.760 33.288 -1.528 1 1 193 . 3 1 1 A 21 21 GLU N N 21 118.643 123.052 -4.409 1 1 194 . 3 1 1 A 22 22 GLY H H 22 7.721 7.806 -0.085 1 1 195 . 3 1 1 A 22 22 GLY HA2 H 22 4.024 3.888 0.136 1 1 196 . 3 1 1 A 22 22 GLY HA3 H 22 3.107 3.999 -0.892 1 1 197 . 3 1 1 A 22 22 GLY C C 22 171.994 171.985 0.009 1 1 198 . 3 1 1 A 22 22 GLY CA C 22 45.013 45.592 -0.579 1 1 199 . 3 1 1 A 22 22 GLY N N 22 106.155 106.963 -0.808 1 1 200 . 3 1 1 A 23 23 PHE H H 23 8.881 8.513 0.368 1 1 201 . 3 1 1 A 23 23 PHE HA H 23 5.303 4.454 0.849 1 1 209 . 3 1 1 A 23 23 PHE C C 23 176.926 175.203 1.723 1 1 210 . 3 1 1 A 23 23 PHE CA C 23 60.013 59.522 0.491 1 1 211 . 3 1 1 A 23 23 PHE CB C 23 40.937 39.318 1.619 1 1 217 . 3 1 1 A 23 23 PHE N N 23 119.442 122.268 -2.826 1 1 218 . 3 1 1 A 24 24 LEU H H 24 9.072 8.509 0.563 1 1 219 . 3 1 1 A 24 24 LEU HA H 24 4.562 4.989 -0.427 1 1 229 . 3 1 1 A 24 24 LEU C C 24 174.406 174.542 -0.136 1 1 230 . 3 1 1 A 24 24 LEU CA C 24 54.437 53.849 0.588 1 1 231 . 3 1 1 A 24 24 LEU CB C 24 48.381 44.459 3.922 1 1 235 . 3 1 1 A 24 24 LEU N N 24 122.488 126.092 -3.604 1 1 236 . 3 1 1 A 25 25 LEU H H 25 8.120 8.678 -0.558 1 1 237 . 3 1 1 A 25 25 LEU HA H 25 5.480 5.525 -0.045 1 1 247 . 3 1 1 A 25 25 LEU C C 25 176.175 175.986 0.189 1 1 248 . 3 1 1 A 25 25 LEU CA C 25 54.242 53.321 0.921 1 1 249 . 3 1 1 A 25 25 LEU CB C 25 42.576 42.688 -0.112 1 1 253 . 3 1 1 A 25 25 LEU N N 25 120.790 125.999 -5.209 1 1 254 . 3 1 1 A 26 26 ILE H H 26 9.110 8.538 0.572 1 1 255 . 3 1 1 A 26 26 ILE HA H 26 5.232 4.628 0.604 1 1 265 . 3 1 1 A 26 26 ILE C C 26 174.757 174.956 -0.199 1 1 266 . 3 1 1 A 26 26 ILE CA C 26 57.613 59.670 -2.057 1 1 267 . 3 1 1 A 26 26 ILE CB C 26 41.343 39.805 1.538 1 1 271 . 3 1 1 A 26 26 ILE N N 26 120.679 124.775 -4.096 1 1 272 . 3 1 1 A 27 27 LYS H H 27 9.150 8.256 0.894 1 1 273 . 3 1 1 A 27 27 LYS HA H 27 4.425 4.150 0.275 1 1 282 . 3 1 1 A 27 27 LYS C C 27 175.557 175.259 0.298 1 1 283 . 3 1 1 A 27 27 LYS CA C 27 56.095 54.809 1.286 1 1 284 . 3 1 1 A 27 27 LYS CB C 27 35.056 32.052 3.004 1 1 288 . 3 1 1 A 27 27 LYS N N 27 127.778 127.334 0.444 1 1 289 . 3 1 1 A 28 28 ARG H H 28 5.868 7.504 -1.636 1 1 290 . 3 1 1 A 28 28 ARG HA H 28 4.429 4.331 0.098 1 1 298 . 3 1 1 A 28 28 ARG C C 28 176.078 176.317 -0.239 1 1 299 . 3 1 1 A 28 28 ARG CA C 28 54.542 56.126 -1.584 1 1 300 . 3 1 1 A 28 28 ARG CB C 28 31.602 31.325 0.277 1 1 303 . 3 1 1 A 28 28 ARG N N 28 124.548 125.200 -0.652 1 1 305 . 3 1 1 A 29 29 SER H H 29 9.067 8.687 0.380 1 1 306 . 3 1 1 A 29 29 SER HA H 29 4.181 4.219 -0.038 1 1 309 . 3 1 1 A 29 29 SER C C 29 176.066 175.356 0.710 1 1 310 . 3 1 1 A 29 29 SER CA C 29 61.019 59.528 1.491 1 1 311 . 3 1 1 A 29 29 SER CB C 29 63.057 62.425 0.632 1 1 312 . 3 1 1 A 29 29 SER N N 29 116.823 118.293 -1.470 1 1 313 . 3 1 1 A 30 30 GLY HA2 H 30 3.810 3.962 -0.152 1 1 314 . 3 1 1 A 30 30 GLY HA3 H 30 4.172 3.977 0.195 1 1 315 . 3 1 1 A 30 30 GLY CA C 30 45.171 45.411 -0.240 1 1 316 . 3 1 1 A 31 31 TYR H H 31 8.001 7.735 0.266 1 1 317 . 3 1 1 A 31 31 TYR HA H 31 4.729 4.361 0.368 1 1 324 . 3 1 1 A 31 31 TYR CB C 31 37.249 38.782 -1.533 1 1 329 . 3 1 1 A 31 31 TYR N N 31 121.120 120.163 0.957 1 1 330 . 3 1 1 A 32 32 ARG HA H 32 4.204 4.156 0.048 1 1 337 . 3 1 1 A 32 32 ARG C C 32 176.066 176.151 -0.085 1 1 338 . 3 1 1 A 32 32 ARG CA C 32 57.631 58.338 -0.707 1 1 339 . 3 1 1 A 32 32 ARG CB C 32 30.861 30.863 -0.002 1 1 342 . 3 1 1 A 33 33 GLU H H 33 7.700 7.676 0.024 1 1 343 . 3 1 1 A 33 33 GLU HA H 33 4.600 4.487 0.113 1 1 348 . 3 1 1 A 33 33 GLU C C 33 175.569 174.827 0.742 1 1 349 . 3 1 1 A 33 33 GLU CA C 33 53.695 55.370 -1.675 1 1 350 . 3 1 1 A 33 33 GLU CB C 33 33.000 31.910 1.090 1 1 352 . 3 1 1 A 33 33 GLU N N 33 115.988 114.358 1.630 1 1 353 . 3 1 1 A 34 34 TYR H H 34 8.755 8.410 0.345 1 1 354 . 3 1 1 A 34 34 TYR HA H 34 4.311 4.365 -0.054 1 1 361 . 3 1 1 A 34 34 TYR C C 34 176.999 175.814 1.185 1 1 362 . 3 1 1 A 34 34 TYR CA C 34 59.537 59.691 -0.154 1 1 363 . 3 1 1 A 34 34 TYR CB C 34 39.744 39.152 0.592 1 1 368 . 3 1 1 A 34 34 TYR N N 34 118.663 122.125 -3.462 1 1 369 . 3 1 1 A 35 35 GLU H H 35 9.024 8.448 0.576 1 1 370 . 3 1 1 A 35 35 GLU HA H 35 4.401 4.907 -0.506 1 1 375 . 3 1 1 A 35 35 GLU C C 35 174.406 174.727 -0.321 1 1 376 . 3 1 1 A 35 35 GLU CA C 35 54.330 55.103 -0.773 1 1 377 . 3 1 1 A 35 35 GLU CB C 35 31.972 32.470 -0.498 1 1 379 . 3 1 1 A 35 35 GLU N N 35 122.488 123.533 -1.045 1 1 380 . 3 1 1 A 36 36 HIS H H 36 8.639 8.692 -0.053 1 1 381 . 3 1 1 A 36 36 HIS HA H 36 4.980 5.080 -0.100 1 1 386 . 3 1 1 A 36 36 HIS C C 36 174.127 173.214 0.913 1 1 387 . 3 1 1 A 36 36 HIS CA C 36 55.607 54.282 1.325 1 1 388 . 3 1 1 A 36 36 HIS CB C 36 31.396 31.034 0.362 1 1 391 . 3 1 1 A 36 36 HIS N N 36 123.767 122.929 0.838 1 1 392 . 3 1 1 A 37 37 TYR H H 37 8.931 8.594 0.337 1 1 393 . 3 1 1 A 37 37 TYR HA H 37 5.668 4.930 0.738 1 1 400 . 3 1 1 A 37 37 TYR C C 37 177.969 174.629 3.340 1 1 401 . 3 1 1 A 37 37 TYR CA C 37 55.407 56.666 -1.259 1 1 402 . 3 1 1 A 37 37 TYR CB C 37 42.089 42.598 -0.509 1 1 407 . 3 1 1 A 37 37 TYR N N 37 124.075 126.068 -1.993 1 1 408 . 3 1 1 A 38 38 TRP H H 38 8.931 9.706 -0.775 1 1 409 . 3 1 1 A 38 38 TRP HA H 38 4.329 4.889 -0.560 1 1 418 . 3 1 1 A 38 38 TRP C C 38 174.345 175.174 -0.829 1 1 419 . 3 1 1 A 38 38 TRP CA C 38 58.230 56.238 1.992 1 1 420 . 3 1 1 A 38 38 TRP CB C 38 28.846 29.291 -0.445 1 1 426 . 3 1 1 A 38 38 TRP N N 38 125.317 126.456 -1.139 1 1 428 . 3 1 1 A 39 39 THR H H 39 8.366 8.635 -0.269 1 1 429 . 3 1 1 A 39 39 THR HA H 39 5.535 4.822 0.713 1 1 434 . 3 1 1 A 39 39 THR C C 39 173.303 173.959 -0.656 1 1 435 . 3 1 1 A 39 39 THR CA C 39 62.037 62.613 -0.576 1 1 436 . 3 1 1 A 39 39 THR CB C 39 70.295 70.242 0.053 1 1 438 . 3 1 1 A 39 39 THR N N 39 127.024 122.577 4.447 1 1 439 . 3 1 1 A 40 40 GLU H H 40 8.902 9.316 -0.414 1 1 440 . 3 1 1 A 40 40 GLU HA H 40 4.816 4.965 -0.149 1 1 445 . 3 1 1 A 40 40 GLU C C 40 175.351 174.632 0.719 1 1 446 . 3 1 1 A 40 40 GLU CA C 40 53.607 54.534 -0.927 1 1 447 . 3 1 1 A 40 40 GLU CB C 40 34.639 33.288 1.351 1 1 449 . 3 1 1 A 40 40 GLU N N 40 120.613 124.496 -3.883 1 1 450 . 3 1 1 A 41 41 LEU H H 41 8.910 9.413 -0.503 1 1 451 . 3 1 1 A 41 41 LEU HA H 41 5.168 5.089 0.079 1 1 461 . 3 1 1 A 41 41 LEU C C 41 174.806 175.039 -0.233 1 1 462 . 3 1 1 A 41 41 LEU CA C 41 53.872 54.451 -0.579 1 1 463 . 3 1 1 A 41 41 LEU CB C 41 43.610 43.397 0.213 1 1 467 . 3 1 1 A 41 41 LEU N N 41 123.682 127.210 -3.528 1 1 468 . 3 1 1 A 42 42 ARG H H 42 9.150 8.267 0.883 1 1 469 . 3 1 1 A 42 42 ARG HA H 42 5.182 4.432 0.750 1 1 474 . 3 1 1 A 42 42 ARG C C 42 176.272 176.430 -0.158 1 1 475 . 3 1 1 A 42 42 ARG CA C 42 53.643 54.805 -1.162 1 1 476 . 3 1 1 A 42 42 ARG CB C 42 33.205 33.102 0.103 1 1 479 . 3 1 1 A 42 42 ARG N N 42 127.645 125.740 1.905 1 1 480 . 3 1 1 A 43 43 GLY H H 43 6.304 8.453 -2.149 1 1 481 . 3 1 1 A 43 43 GLY HA2 H 43 3.917 3.931 -0.014 1 1 482 . 3 1 1 A 43 43 GLY HA3 H 43 3.812 4.086 -0.274 1 1 483 . 3 1 1 A 43 43 GLY C C 43 171.630 174.885 -3.255 1 1 484 . 3 1 1 A 43 43 GLY CA C 43 47.025 47.384 -0.359 1 1 485 . 3 1 1 A 43 43 GLY N N 43 112.565 113.392 -0.827 1 1 486 . 3 1 1 A 44 44 THR H H 44 7.841 8.533 -0.692 1 1 487 . 3 1 1 A 44 44 THR HA H 44 4.313 4.703 -0.390 1 1 492 . 3 1 1 A 44 44 THR C C 44 172.515 173.672 -1.157 1 1 493 . 3 1 1 A 44 44 THR CA C 44 60.207 60.897 -0.690 1 1 494 . 3 1 1 A 44 44 THR CB C 44 68.320 70.070 -1.750 1 1 496 . 3 1 1 A 44 44 THR N N 44 111.769 118.591 -6.822 1 1 497 . 3 1 1 A 45 45 THR H H 45 8.500 7.758 0.742 1 1 498 . 3 1 1 A 45 45 THR HA H 45 4.664 4.727 -0.063 1 1 503 . 3 1 1 A 45 45 THR C C 45 172.224 173.424 -1.200 1 1 504 . 3 1 1 A 45 45 THR CA C 45 62.413 61.628 0.785 1 1 505 . 3 1 1 A 45 45 THR CB C 45 69.848 70.698 -0.850 1 1 507 . 3 1 1 A 45 45 THR N N 45 118.681 116.957 1.724 1 1 508 . 3 1 1 A 46 46 LEU H H 46 8.391 8.677 -0.286 1 1 509 . 3 1 1 A 46 46 LEU HA H 46 4.892 4.354 0.538 1 1 519 . 3 1 1 A 46 46 LEU C C 46 174.260 175.534 -1.274 1 1 520 . 3 1 1 A 46 46 LEU CA C 46 52.654 54.579 -1.925 1 1 521 . 3 1 1 A 46 46 LEU CB C 46 42.911 42.072 0.839 1 1 525 . 3 1 1 A 46 46 LEU N N 46 125.559 128.207 -2.648 1 1 526 . 3 1 1 A 47 47 PHE H H 47 9.131 8.894 0.237 1 1 527 . 3 1 1 A 47 47 PHE HA H 47 3.940 4.671 -0.731 1 1 535 . 3 1 1 A 47 47 PHE C C 47 173.363 174.075 -0.712 1 1 536 . 3 1 1 A 47 47 PHE CA C 47 57.454 55.833 1.621 1 1 537 . 3 1 1 A 47 47 PHE CB C 47 42.747 40.822 1.925 1 1 543 . 3 1 1 A 47 47 PHE N N 47 121.095 122.720 -1.625 1 1 544 . 3 1 1 A 48 48 PHE H H 48 7.881 9.346 -1.465 1 1 545 . 3 1 1 A 48 48 PHE HA H 48 5.021 5.344 -0.323 1 1 553 . 3 1 1 A 48 48 PHE C C 48 173.727 174.754 -1.027 1 1 554 . 3 1 1 A 48 48 PHE CA C 48 56.166 54.899 1.267 1 1 555 . 3 1 1 A 48 48 PHE CB C 48 39.169 41.100 -1.931 1 1 561 . 3 1 1 A 48 48 PHE N N 48 120.063 122.332 -2.269 1 1 562 . 3 1 1 A 49 49 TYR H H 49 9.972 9.334 0.638 1 1 563 . 3 1 1 A 49 49 TYR HA H 49 5.190 5.202 -0.012 1 1 570 . 3 1 1 A 49 49 TYR C C 49 176.587 175.754 0.833 1 1 571 . 3 1 1 A 49 49 TYR CA C 49 56.254 56.893 -0.639 1 1 572 . 3 1 1 A 49 49 TYR CB C 49 41.842 43.587 -1.745 1 1 577 . 3 1 1 A 49 49 TYR N N 49 121.415 121.024 0.391 1 1 578 . 3 1 1 A 50 50 THR H H 50 9.511 9.107 0.404 1 1 579 . 3 1 1 A 50 50 THR HA H 50 4.571 4.866 -0.295 1 1 584 . 3 1 1 A 50 50 THR C C 50 174.793 174.811 -0.018 1 1 585 . 3 1 1 A 50 50 THR CA C 50 65.361 62.818 2.543 1 1 586 . 3 1 1 A 50 50 THR CB C 50 69.043 69.677 -0.634 1 1 588 . 3 1 1 A 50 50 THR N N 50 114.446 114.055 0.391 1 1 589 . 3 1 1 A 51 51 ASP H H 51 7.828 7.960 -0.132 1 1 590 . 3 1 1 A 51 51 ASP HA H 51 4.803 5.091 -0.288 1 1 593 . 3 1 1 A 51 51 ASP C C 51 174.685 175.913 -1.228 1 1 594 . 3 1 1 A 51 51 ASP CA C 51 53.254 53.090 0.164 1 1 595 . 3 1 1 A 51 51 ASP CB C 51 43.586 44.499 -0.913 1 1 596 . 3 1 1 A 51 51 ASP N N 51 115.656 120.025 -4.369 1 1 597 . 3 1 1 A 52 52 LYS H H 52 8.271 8.751 -0.480 1 1 598 . 3 1 1 A 52 52 LYS HA H 52 2.800 3.802 -1.002 1 1 607 . 3 1 1 A 52 52 LYS C C 52 176.671 178.218 -1.547 1 1 608 . 3 1 1 A 52 52 LYS CA C 52 58.372 58.650 -0.278 1 1 609 . 3 1 1 A 52 52 LYS CB C 52 32.178 31.850 0.328 1 1 613 . 3 1 1 A 52 52 LYS N N 52 119.009 120.581 -1.572 1 1 614 . 3 1 1 A 53 53 LYS H H 53 8.068 7.532 0.536 1 1 615 . 3 1 1 A 53 53 LYS HA H 53 4.109 4.197 -0.088 1 1 624 . 3 1 1 A 53 53 LYS C C 53 176.950 176.901 0.049 1 1 625 . 3 1 1 A 53 53 LYS CA C 53 55.830 57.835 -2.005 1 1 626 . 3 1 1 A 53 53 LYS CB C 53 32.301 32.752 -0.451 1 1 630 . 3 1 1 A 53 53 LYS N N 53 116.395 117.797 -1.402 1 1 631 . 3 1 1 A 54 54 SER H H 54 7.549 7.693 -0.144 1 1 632 . 3 1 1 A 54 54 SER HA H 54 4.316 4.354 -0.038 1 1 635 . 3 1 1 A 54 54 SER C C 54 174.394 173.676 0.718 1 1 636 . 3 1 1 A 54 54 SER CA C 54 59.395 60.195 -0.800 1 1 637 . 3 1 1 A 54 54 SER CB C 54 64.337 63.744 0.593 1 1 638 . 3 1 1 A 54 54 SER N N 54 116.653 115.043 1.610 1 1 639 . 3 1 1 A 55 55 ILE H H 55 8.424 9.085 -0.661 1 1 640 . 3 1 1 A 55 55 ILE HA H 55 4.267 4.215 0.052 1 1 650 . 3 1 1 A 55 55 ILE C C 55 174.999 176.267 -1.268 1 1 651 . 3 1 1 A 55 55 ILE CA C 55 62.213 62.771 -0.558 1 1 652 . 3 1 1 A 55 55 ILE CB C 55 38.728 38.704 0.024 1 1 656 . 3 1 1 A 55 55 ILE N N 55 118.660 126.194 -7.534 1 1 657 . 3 1 1 A 56 56 ILE H H 56 7.771 7.727 0.044 1 1 658 . 3 1 1 A 56 56 ILE HA H 56 4.561 4.225 0.336 1 1 668 . 3 1 1 A 56 56 ILE C C 56 175.266 175.409 -0.143 1 1 669 . 3 1 1 A 56 56 ILE CA C 56 59.342 61.093 -1.751 1 1 670 . 3 1 1 A 56 56 ILE CB C 56 39.506 38.681 0.825 1 1 674 . 3 1 1 A 56 56 ILE N N 56 119.568 120.643 -1.075 1 1 675 . 3 1 1 A 57 57 TYR H H 57 7.251 8.700 -1.449 1 1 676 . 3 1 1 A 57 57 TYR HA H 57 4.261 4.222 0.039 1 1 683 . 3 1 1 A 57 57 TYR C C 57 174.902 176.185 -1.283 1 1 684 . 3 1 1 A 57 57 TYR CA C 57 56.201 57.520 -1.319 1 1 685 . 3 1 1 A 57 57 TYR CB C 57 37.230 38.824 -1.594 1 1 690 . 3 1 1 A 58 58 VAL H H 58 9.157 8.123 1.034 1 1 691 . 3 1 1 A 58 58 VAL HA H 58 4.251 3.884 0.367 1 1 699 . 3 1 1 A 58 58 VAL C C 58 175.812 174.693 1.119 1 1 700 . 3 1 1 A 58 58 VAL CA C 58 62.360 64.923 -2.563 1 1 701 . 3 1 1 A 58 58 VAL CB C 58 33.123 32.226 0.897 1 1 704 . 3 1 1 A 58 58 VAL N N 58 116.888 120.581 -3.693 1 1 705 . 3 1 1 A 59 59 ASP H H 59 7.990 7.511 0.479 1 1 706 . 3 1 1 A 59 59 ASP HA H 59 4.970 5.164 -0.194 1 1 709 . 3 1 1 A 59 59 ASP C C 59 172.346 174.224 -1.878 1 1 710 . 3 1 1 A 59 59 ASP CA C 59 52.601 53.989 -1.388 1 1 711 . 3 1 1 A 59 59 ASP CB C 59 42.952 44.206 -1.254 1 1 712 . 3 1 1 A 59 59 ASP N N 59 117.301 120.174 -2.873 1 1 713 . 3 1 1 A 60 60 LYS H H 60 8.991 8.878 0.113 1 1 714 . 3 1 1 A 60 60 LYS HA H 60 4.761 4.934 -0.173 1 1 723 . 3 1 1 A 60 60 LYS C C 60 173.666 174.710 -1.044 1 1 724 . 3 1 1 A 60 60 LYS CA C 60 54.718 53.933 0.785 1 1 725 . 3 1 1 A 60 60 LYS CB C 60 35.097 36.239 -1.142 1 1 729 . 3 1 1 A 60 60 LYS N N 60 118.648 120.350 -1.702 1 1 730 . 3 1 1 A 61 61 LEU H H 61 8.702 8.966 -0.264 1 1 731 . 3 1 1 A 61 61 LEU HA H 61 4.462 5.039 -0.577 1 1 741 . 3 1 1 A 61 61 LEU C C 61 173.630 175.174 -1.544 1 1 742 . 3 1 1 A 61 61 LEU CA C 61 54.065 53.178 0.887 1 1 743 . 3 1 1 A 61 61 LEU CB C 61 47.032 46.256 0.776 1 1 747 . 3 1 1 A 61 61 LEU N N 61 121.890 120.237 1.653 1 1 748 . 3 1 1 A 62 62 ASP H H 62 8.868 8.601 0.267 1 1 749 . 3 1 1 A 62 62 ASP HA H 62 4.841 5.178 -0.337 1 1 752 . 3 1 1 A 62 62 ASP C C 62 178.029 175.249 2.780 1 1 753 . 3 1 1 A 62 62 ASP CA C 62 53.819 52.821 0.998 1 1 754 . 3 1 1 A 62 62 ASP CB C 62 40.772 44.584 -3.812 1 1 755 . 3 1 1 A 62 62 ASP N N 62 128.697 119.147 9.550 1 1 756 . 3 1 1 A 63 63 ILE H H 63 9.261 7.973 1.288 1 1 757 . 3 1 1 A 63 63 ILE HA H 63 4.554 4.599 -0.045 1 1 767 . 3 1 1 A 63 63 ILE C C 63 175.617 176.953 -1.336 1 1 768 . 3 1 1 A 63 63 ILE CA C 63 60.736 60.442 0.294 1 1 769 . 3 1 1 A 63 63 ILE CB C 63 38.364 38.093 0.271 1 1 773 . 3 1 1 A 63 63 ILE N N 63 120.253 118.415 1.838 1 1 774 . 3 1 1 A 64 64 VAL H H 64 8.010 7.747 0.263 1 1 775 . 3 1 1 A 64 64 VAL HA H 64 3.781 3.847 -0.066 1 1 783 . 3 1 1 A 64 64 VAL C C 64 174.878 176.947 -2.069 1 1 784 . 3 1 1 A 64 64 VAL CA C 64 65.572 65.176 0.396 1 1 785 . 3 1 1 A 64 64 VAL CB C 64 30.532 31.471 -0.939 1 1 788 . 3 1 1 A 64 64 VAL N N 64 122.413 122.762 -0.349 1 1 789 . 3 1 1 A 65 65 ASP H H 65 8.391 7.671 0.720 1 1 790 . 3 1 1 A 65 65 ASP HA H 65 4.841 4.738 0.103 1 1 793 . 3 1 1 A 65 65 ASP C C 65 174.854 175.853 -0.999 1 1 794 . 3 1 1 A 65 65 ASP CA C 65 53.483 53.603 -0.120 1 1 795 . 3 1 1 A 65 65 ASP CB C 65 40.114 41.507 -1.393 1 1 796 . 3 1 1 A 65 65 ASP N N 65 119.308 119.859 -0.551 1 1 797 . 3 1 1 A 66 66 LEU H H 66 7.517 7.561 -0.044 1 1 798 . 3 1 1 A 66 66 LEU HA H 66 3.962 4.173 -0.211 1 1 808 . 3 1 1 A 66 66 LEU C C 66 176.708 177.602 -0.894 1 1 809 . 3 1 1 A 66 66 LEU CA C 66 57.471 56.419 1.052 1 1 810 . 3 1 1 A 66 66 LEU CB C 66 43.322 42.925 0.397 1 1 814 . 3 1 1 A 66 66 LEU N N 66 120.009 123.356 -3.347 1 1 815 . 3 1 1 A 67 67 THR H H 67 9.329 9.760 -0.431 1 1 816 . 3 1 1 A 67 67 THR HA H 67 4.363 4.246 0.117 1 1 821 . 3 1 1 A 67 67 THR C C 67 175.145 174.163 0.982 1 1 822 . 3 1 1 A 67 67 THR CA C 67 64.019 64.002 0.017 1 1 823 . 3 1 1 A 67 67 THR CB C 67 69.107 69.119 -0.012 1 1 825 . 3 1 1 A 67 67 THR N N 67 123.534 121.218 2.316 1 1 826 . 3 1 1 A 68 68 CYS H H 68 7.584 7.146 0.438 1 1 827 . 3 1 1 A 68 68 CYS HA H 68 4.604 4.736 -0.132 1 1 830 . 3 1 1 A 68 68 CYS C C 68 170.528 172.338 -1.810 1 1 831 . 3 1 1 A 68 68 CYS CA C 68 57.402 58.573 -1.171 1 1 832 . 3 1 1 A 68 68 CYS CB C 68 29.175 30.991 -1.816 1 1 833 . 3 1 1 A 68 68 CYS N N 68 115.015 115.740 -0.725 1 1 834 . 3 1 1 A 69 69 LEU H H 69 8.730 8.672 0.058 1 1 835 . 3 1 1 A 69 69 LEU HA H 69 5.411 5.134 0.277 1 1 845 . 3 1 1 A 69 69 LEU C C 69 176.356 175.695 0.661 1 1 846 . 3 1 1 A 69 69 LEU CA C 69 54.242 54.308 -0.066 1 1 847 . 3 1 1 A 69 69 LEU CB C 69 44.885 45.588 -0.703 1 1 851 . 3 1 1 A 69 69 LEU N N 69 125.633 122.811 2.822 1 1 852 . 3 1 1 A 70 70 THR H H 70 9.197 8.624 0.573 1 1 853 . 3 1 1 A 70 70 THR HA H 70 4.702 4.997 -0.295 1 1 858 . 3 1 1 A 70 70 THR C C 70 173.582 173.577 0.005 1 1 859 . 3 1 1 A 70 70 THR CA C 70 60.384 60.590 -0.206 1 1 860 . 3 1 1 A 70 70 THR CB C 70 70.870 69.956 0.914 1 1 862 . 3 1 1 A 70 70 THR N N 70 120.391 118.010 2.381 1 1 863 . 3 1 1 A 71 71 GLU H H 71 8.965 8.660 0.305 1 1 864 . 3 1 1 A 71 71 GLU HA H 71 4.685 5.245 -0.560 1 1 869 . 3 1 1 A 71 71 GLU C C 71 175.957 175.344 0.613 1 1 870 . 3 1 1 A 71 71 GLU CA C 71 56.254 54.547 1.707 1 1 871 . 3 1 1 A 71 71 GLU CB C 71 31.396 33.781 -2.385 1 1 873 . 3 1 1 A 71 71 GLU N N 71 124.718 119.736 4.982 1 1 874 . 3 1 1 A 72 72 GLN H H 72 8.318 9.013 -0.695 1 1 875 . 3 1 1 A 72 72 GLN HA H 72 4.629 4.924 -0.295 1 1 882 . 3 1 1 A 72 72 GLN C C 72 175.254 175.028 0.226 1 1 883 . 3 1 1 A 72 72 GLN CA C 72 55.336 54.236 1.100 1 1 884 . 3 1 1 A 72 72 GLN CB C 72 30.533 32.098 -1.565 1 1 886 . 3 1 1 A 72 72 GLN N N 72 123.543 120.297 3.246 1 1 888 . 3 1 1 A 73 73 ASN H H 73 8.670 8.672 -0.002 1 1 889 . 3 1 1 A 73 73 ASN HA H 73 4.688 4.769 -0.081 1 1 894 . 3 1 1 A 73 73 ASN C C 73 175.229 174.412 0.817 1 1 895 . 3 1 1 A 73 73 ASN CA C 73 53.607 53.723 -0.116 1 1 896 . 3 1 1 A 73 73 ASN CB C 73 39.169 39.461 -0.292 1 1 897 . 3 1 1 A 73 73 ASN N N 73 120.534 124.269 -3.735 1 1 899 . 3 1 1 A 74 74 SER H H 74 8.641 8.880 -0.239 1 1 900 . 3 1 1 A 74 74 SER HA H 74 4.652 4.651 0.001 1 1 903 . 3 1 1 A 74 74 SER C C 74 175.121 174.769 0.352 1 1 904 . 3 1 1 A 74 74 SER CA C 74 58.409 59.642 -1.233 1 1 905 . 3 1 1 A 74 74 SER CB C 74 64.401 65.023 -0.622 1 1 906 . 3 1 1 A 74 74 SER N N 74 117.448 119.396 -1.948 1 1 907 . 3 1 1 A 75 75 THR HA H 75 4.282 4.161 0.121 1 1 912 . 3 1 1 A 75 75 THR C C 75 174.878 174.417 0.461 1 1 913 . 3 1 1 A 75 75 THR CA C 75 62.819 62.877 -0.058 1 1 914 . 3 1 1 A 75 75 THR CB C 75 69.061 67.671 1.390 1 1 916 . 3 1 1 A 76 76 GLU H H 76 8.156 8.722 -0.566 1 1 917 . 3 1 1 A 76 76 GLU HA H 76 4.350 4.043 0.307 1 1 922 . 3 1 1 A 76 76 GLU C C 76 176.138 175.861 0.277 1 1 923 . 3 1 1 A 76 76 GLU CA C 76 56.202 58.666 -2.464 1 1 924 . 3 1 1 A 76 76 GLU CB C 76 30.532 28.522 2.010 1 1 926 . 3 1 1 A 76 76 GLU N N 76 122.220 121.527 0.693 1 1 927 . 3 1 1 A 77 77 LYS H H 77 8.443 8.642 -0.199 1 1 928 . 3 1 1 A 77 77 LYS HA H 77 4.221 4.270 -0.049 1 1 937 . 3 1 1 A 77 77 LYS C C 77 176.465 176.256 0.209 1 1 938 . 3 1 1 A 77 77 LYS CA C 77 56.730 56.791 -0.061 1 1 939 . 3 1 1 A 77 77 LYS CB C 77 32.301 33.215 -0.914 1 1 943 . 3 1 1 A 77 77 LYS N N 77 122.162 120.994 1.168 1 1 944 . 3 1 1 A 78 78 ASN H H 78 8.621 8.658 -0.037 1 1 945 . 3 1 1 A 78 78 ASN HA H 78 4.641 5.126 -0.485 1 1 950 . 3 1 1 A 78 78 ASN C C 78 173.485 173.814 -0.329 1 1 951 . 3 1 1 A 78 78 ASN CA C 78 53.748 52.623 1.125 1 1 952 . 3 1 1 A 78 78 ASN CB C 78 38.058 37.533 0.525 1 1 953 . 3 1 1 A 78 78 ASN N N 78 116.583 123.545 -6.962 1 1 955 . 3 1 1 A 79 79 CYS H H 79 7.551 8.153 -0.602 1 1 956 . 3 1 1 A 79 79 CYS HA H 79 4.371 4.990 -0.619 1 1 959 . 3 1 1 A 79 79 CYS C C 79 172.515 172.478 0.037 1 1 960 . 3 1 1 A 79 79 CYS CA C 79 57.295 57.843 -0.548 1 1 961 . 3 1 1 A 79 79 CYS CB C 79 29.628 32.784 -3.156 1 1 962 . 3 1 1 A 79 79 CYS N N 79 112.640 122.172 -9.532 1 1 963 . 3 1 1 A 80 80 ALA H H 80 7.642 8.850 -1.208 1 1 964 . 3 1 1 A 80 80 ALA HA H 80 4.727 5.310 -0.583 1 1 968 . 3 1 1 A 80 80 ALA C C 80 175.314 176.087 -0.773 1 1 969 . 3 1 1 A 80 80 ALA CA C 80 51.330 50.399 0.931 1 1 970 . 3 1 1 A 80 80 ALA CB C 80 21.896 21.844 0.052 1 1 971 . 3 1 1 A 80 80 ALA N N 80 124.099 123.845 0.254 1 1 972 . 3 1 1 A 81 81 LYS H H 81 8.459 8.800 -0.341 1 1 973 . 3 1 1 A 81 81 LYS HA H 81 5.112 4.834 0.278 1 1 982 . 3 1 1 A 81 81 LYS C C 81 174.781 175.000 -0.219 1 1 983 . 3 1 1 A 81 81 LYS CA C 81 55.283 54.681 0.602 1 1 984 . 3 1 1 A 81 81 LYS CB C 81 36.133 34.871 1.262 1 1 988 . 3 1 1 A 81 81 LYS N N 81 119.796 122.808 -3.012 1 1 989 . 3 1 1 A 82 82 PHE H H 82 8.748 7.750 0.998 1 1 990 . 3 1 1 A 82 82 PHE HA H 82 5.513 5.484 0.029 1 1 998 . 3 1 1 A 82 82 PHE C C 82 174.357 172.719 1.638 1 1 999 . 3 1 1 A 82 82 PHE CA C 82 55.643 55.914 -0.271 1 1 1000 . 3 1 1 A 82 82 PHE CB C 82 42.089 42.587 -0.498 1 1 1006 . 3 1 1 A 82 82 PHE N N 82 119.073 119.911 -0.838 1 1 1007 . 3 1 1 A 83 83 THR H H 83 9.290 8.858 0.432 1 1 1008 . 3 1 1 A 83 83 THR HA H 83 5.032 5.119 -0.087 1 1 1013 . 3 1 1 A 83 83 THR C C 83 173.472 173.772 -0.300 1 1 1014 . 3 1 1 A 83 83 THR CA C 83 62.113 61.371 0.742 1 1 1015 . 3 1 1 A 83 83 THR CB C 83 71.076 70.821 0.255 1 1 1017 . 3 1 1 A 83 83 THR N N 83 116.845 116.441 0.404 1 1 1018 . 3 1 1 A 84 84 LEU H H 84 9.502 9.414 0.088 1 1 1019 . 3 1 1 A 84 84 LEU HA H 84 4.691 5.015 -0.324 1 1 1029 . 3 1 1 A 84 84 LEU C C 84 174.308 175.907 -1.599 1 1 1030 . 3 1 1 A 84 84 LEU CA C 84 54.224 53.456 0.768 1 1 1031 . 3 1 1 A 84 84 LEU CB C 84 41.636 42.075 -0.439 1 1 1035 . 3 1 1 A 84 84 LEU N N 84 125.923 126.524 -0.601 1 1 1036 . 3 1 1 A 85 85 VAL H H 85 8.620 8.781 -0.161 1 1 1037 . 3 1 1 A 85 85 VAL HA H 85 4.151 4.510 -0.359 1 1 1045 . 3 1 1 A 85 85 VAL C C 85 174.188 175.328 -1.140 1 1 1046 . 3 1 1 A 85 85 VAL CA C 85 63.649 62.038 1.611 1 1 1047 . 3 1 1 A 85 85 VAL CB C 85 30.861 31.948 -1.087 1 1 1050 . 3 1 1 A 85 85 VAL N N 85 126.007 125.514 0.493 1 1 1051 . 3 1 1 A 86 86 LEU H H 86 8.534 8.696 -0.162 1 1 1052 . 3 1 1 A 86 86 LEU HA H 86 4.853 4.812 0.041 1 1 1062 . 3 1 1 A 86 86 LEU C C 86 174.878 176.654 -1.776 1 1 1063 . 3 1 1 A 86 86 LEU CA C 86 53.183 51.727 1.456 1 1 1064 . 3 1 1 A 86 86 LEU CB C 86 40.485 44.801 -4.316 1 1 1068 . 3 1 1 A 86 86 LEU N N 86 129.551 128.333 1.218 1 1 1069 . 3 1 1 A 87 87 PRO HA H 87 4.221 4.544 -0.323 1 1 1076 . 3 1 1 A 87 87 PRO C C 87 178.223 177.082 1.141 1 1 1077 . 3 1 1 A 87 87 PRO CA C 87 66.455 64.179 2.276 1 1 1078 . 3 1 1 A 87 87 PRO CB C 87 32.260 31.637 0.623 1 1 1081 . 3 1 1 A 88 88 LYS H H 88 8.414 8.227 0.187 1 1 1082 . 3 1 1 A 88 88 LYS HA H 88 4.548 4.406 0.142 1 1 1091 . 3 1 1 A 88 88 LYS C C 88 176.187 176.490 -0.303 1 1 1092 . 3 1 1 A 88 88 LYS CA C 88 55.071 57.016 -1.945 1 1 1093 . 3 1 1 A 88 88 LYS CB C 88 33.534 34.159 -0.625 1 1 1097 . 3 1 1 A 88 88 LYS N N 88 110.404 116.720 -6.316 1 1 1098 . 3 1 1 A 89 89 GLU H H 89 7.208 7.768 -0.560 1 1 1099 . 3 1 1 A 89 89 GLU HA H 89 4.561 4.709 -0.148 1 1 1104 . 3 1 1 A 89 89 GLU C C 89 172.527 174.344 -1.817 1 1 1105 . 3 1 1 A 89 89 GLU CA C 89 56.007 55.804 0.203 1 1 1106 . 3 1 1 A 89 89 GLU CB C 89 33.082 33.545 -0.463 1 1 1108 . 3 1 1 A 89 89 GLU N N 89 116.828 114.943 1.885 1 1 1109 . 3 1 1 A 90 90 GLU H H 90 8.321 8.622 -0.301 1 1 1110 . 3 1 1 A 90 90 GLU HA H 90 5.249 5.273 -0.024 1 1 1115 . 3 1 1 A 90 90 GLU C C 90 176.296 175.819 0.477 1 1 1116 . 3 1 1 A 90 90 GLU CA C 90 54.860 55.807 -0.947 1 1 1117 . 3 1 1 A 90 90 GLU CB C 90 31.972 31.775 0.197 1 1 1119 . 3 1 1 A 90 90 GLU N N 90 119.609 124.376 -4.767 1 1 1120 . 3 1 1 A 91 91 VAL H H 91 8.972 8.642 0.330 1 1 1121 . 3 1 1 A 91 91 VAL HA H 91 4.352 4.735 -0.383 1 1 1129 . 3 1 1 A 91 91 VAL C C 91 174.284 174.612 -0.328 1 1 1130 . 3 1 1 A 91 91 VAL CA C 91 61.284 59.918 1.366 1 1 1131 . 3 1 1 A 91 91 VAL CB C 91 34.891 35.732 -0.841 1 1 1134 . 3 1 1 A 91 91 VAL N N 91 123.947 121.123 2.824 1 1 1135 . 3 1 1 A 92 92 GLN H H 92 8.241 8.542 -0.301 1 1 1136 . 3 1 1 A 92 92 GLN HA H 92 4.930 5.159 -0.229 1 1 1143 . 3 1 1 A 92 92 GLN C C 92 174.115 175.059 -0.944 1 1 1144 . 3 1 1 A 92 92 GLN CA C 92 55.583 54.701 0.882 1 1 1145 . 3 1 1 A 92 92 GLN CB C 92 30.121 31.337 -1.216 1 1 1147 . 3 1 1 A 92 92 GLN N N 92 125.869 124.460 1.409 1 1 1149 . 3 1 1 A 93 93 LEU H H 93 9.145 8.422 0.723 1 1 1150 . 3 1 1 A 93 93 LEU HA H 93 5.456 5.152 0.304 1 1 1160 . 3 1 1 A 93 93 LEU C C 93 176.256 175.092 1.164 1 1 1161 . 3 1 1 A 93 93 LEU CA C 93 53.801 53.595 0.206 1 1 1162 . 3 1 1 A 93 93 LEU CB C 93 45.913 45.395 0.518 1 1 1166 . 3 1 1 A 93 93 LEU N N 93 123.952 123.902 0.050 1 1 1167 . 3 1 1 A 94 94 LYS H H 94 9.255 8.539 0.716 1 1 1168 . 3 1 1 A 94 94 LYS HA H 94 5.452 4.702 0.750 1 1 1177 . 3 1 1 A 94 94 LYS C C 94 174.563 174.533 0.030 1 1 1178 . 3 1 1 A 94 94 LYS CA C 94 54.718 54.913 -0.195 1 1 1179 . 3 1 1 A 94 94 LYS CB C 94 36.571 35.714 0.857 1 1 1183 . 3 1 1 A 94 94 LYS N N 94 124.618 126.074 -1.456 1 1 1184 . 3 1 1 A 95 95 THR H H 95 8.582 8.469 0.113 1 1 1185 . 3 1 1 A 95 95 THR HA H 95 4.946 4.788 0.158 1 1 1190 . 3 1 1 A 95 95 THR C C 95 175.278 174.779 0.499 1 1 1191 . 3 1 1 A 95 95 THR CA C 95 59.908 60.289 -0.381 1 1 1192 . 3 1 1 A 95 95 THR CB C 95 70.917 70.808 0.109 1 1 1194 . 3 1 1 A 95 95 THR N N 95 112.788 115.931 -3.143 1 1 1195 . 3 1 1 A 96 96 GLU H H 96 9.033 8.777 0.256 1 1 1196 . 3 1 1 A 96 96 GLU HA H 96 4.321 4.419 -0.098 1 1 1201 . 3 1 1 A 96 96 GLU C C 96 175.435 176.383 -0.948 1 1 1202 . 3 1 1 A 96 96 GLU CA C 96 57.595 58.366 -0.771 1 1 1203 . 3 1 1 A 96 96 GLU CB C 96 30.656 30.285 0.371 1 1 1205 . 3 1 1 A 96 96 GLU N N 96 117.745 118.605 -0.860 1 1 1206 . 3 1 1 A 97 97 ASN H H 97 7.562 8.149 -0.587 1 1 1207 . 3 1 1 A 97 97 ASN HA H 97 5.074 5.207 -0.133 1 1 1212 . 3 1 1 A 97 97 ASN C C 97 176.575 175.956 0.619 1 1 1213 . 3 1 1 A 97 97 ASN CA C 97 52.195 51.748 0.447 1 1 1214 . 3 1 1 A 97 97 ASN CB C 97 40.485 40.650 -0.165 1 1 1215 . 3 1 1 A 97 97 ASN N N 97 110.462 115.957 -5.495 1 1 1217 . 3 1 1 A 98 98 THR HA H 98 3.916 4.043 -0.127 1 1 1222 . 3 1 1 A 98 98 THR C C 98 176.938 176.726 0.212 1 1 1223 . 3 1 1 A 98 98 THR CA C 98 66.349 65.533 0.816 1 1 1224 . 3 1 1 A 98 98 THR CB C 98 68.638 68.976 -0.338 1 1 1226 . 3 1 1 A 99 99 GLU H H 99 9.316 8.429 0.887 1 1 1227 . 3 1 1 A 99 99 GLU HA H 99 4.221 4.062 0.159 1 1 1232 . 3 1 1 A 99 99 GLU C C 99 179.241 179.291 -0.050 1 1 1233 . 3 1 1 A 99 99 GLU CA C 99 60.754 59.562 1.192 1 1 1234 . 3 1 1 A 99 99 GLU CB C 99 28.764 29.477 -0.713 1 1 1236 . 3 1 1 A 99 99 GLU N N 99 125.868 120.927 4.941 1 1 1237 . 3 1 1 A 100 100 SER H H 100 8.739 8.065 0.674 1 1 1238 . 3 1 1 A 100 100 SER HA H 100 4.863 4.468 0.395 1 1 1241 . 3 1 1 A 100 100 SER C C 100 177.411 177.433 -0.022 1 1 1242 . 3 1 1 A 100 100 SER CA C 100 61.037 61.902 -0.865 1 1 1243 . 3 1 1 A 100 100 SER CB C 100 63.879 63.107 0.772 1 1 1244 . 3 1 1 A 100 100 SER N N 100 114.755 114.945 -0.190 1 1 1245 . 3 1 1 A 101 101 GLY H H 101 7.879 8.631 -0.752 1 1 1246 . 3 1 1 A 101 101 GLY HA2 H 101 4.139 3.913 0.226 1 1 1247 . 3 1 1 A 101 101 GLY HA3 H 101 4.012 4.041 -0.029 1 1 1248 . 3 1 1 A 101 101 GLY C C 101 174.611 175.895 -1.284 1 1 1249 . 3 1 1 A 101 101 GLY CA C 101 48.948 47.437 1.511 1 1 1250 . 3 1 1 A 101 101 GLY N N 101 108.940 109.052 -0.112 1 1 1251 . 3 1 1 A 102 102 GLU H H 102 7.801 8.189 -0.388 1 1 1252 . 3 1 1 A 102 102 GLU HA H 102 4.171 4.074 0.097 1 1 1257 . 3 1 1 A 102 102 GLU C C 102 179.084 179.256 -0.172 1 1 1258 . 3 1 1 A 102 102 GLU CA C 102 58.601 59.293 -0.692 1 1 1259 . 3 1 1 A 102 102 GLU CB C 102 29.627 29.239 0.388 1 1 1261 . 3 1 1 A 102 102 GLU N N 102 120.720 121.329 -0.609 1 1 1262 . 3 1 1 A 103 103 GLU H H 103 7.781 7.819 -0.038 1 1 1263 . 3 1 1 A 103 103 GLU HA H 103 3.739 3.919 -0.180 1 1 1268 . 3 1 1 A 103 103 GLU C C 103 178.235 179.318 -1.083 1 1 1269 . 3 1 1 A 103 103 GLU CA C 103 60.366 59.145 1.221 1 1 1270 . 3 1 1 A 103 103 GLU CB C 103 30.491 29.431 1.060 1 1 1272 . 3 1 1 A 103 103 GLU N N 103 119.068 119.362 -0.294 1 1 1273 . 3 1 1 A 104 104 TRP H H 104 8.761 8.377 0.384 1 1 1274 . 3 1 1 A 104 104 TRP HA H 104 4.171 4.691 -0.520 1 1 1283 . 3 1 1 A 104 104 TRP C C 104 178.817 178.927 -0.110 1 1 1284 . 3 1 1 A 104 104 TRP CA C 104 62.290 60.926 1.364 1 1 1285 . 3 1 1 A 104 104 TRP CB C 104 29.340 29.369 -0.029 1 1 1291 . 3 1 1 A 104 104 TRP N N 104 118.358 121.019 -2.661 1 1 1293 . 3 1 1 A 105 105 ARG H H 105 8.400 8.602 -0.202 1 1 1294 . 3 1 1 A 105 105 ARG HA H 105 3.481 3.512 -0.031 1 1 1302 . 3 1 1 A 105 105 ARG C C 105 177.666 178.873 -1.207 1 1 1303 . 3 1 1 A 105 105 ARG CA C 105 60.666 59.515 1.151 1 1 1304 . 3 1 1 A 105 105 ARG CB C 105 30.162 29.737 0.425 1 1 1307 . 3 1 1 A 105 105 ARG N N 105 117.098 119.612 -2.514 1 1 1309 . 3 1 1 A 106 106 GLY H H 106 8.202 8.063 0.139 1 1 1310 . 3 1 1 A 106 106 GLY HA2 H 106 3.470 3.509 -0.039 1 1 1311 . 3 1 1 A 106 106 GLY HA3 H 106 3.382 3.551 -0.169 1 1 1312 . 3 1 1 A 106 106 GLY C C 106 176.162 175.897 0.265 1 1 1313 . 3 1 1 A 106 106 GLY CA C 106 47.554 47.120 0.434 1 1 1314 . 3 1 1 A 106 106 GLY N N 106 104.212 106.720 -2.508 1 1 1315 . 3 1 1 A 107 107 PHE H H 107 8.491 9.140 -0.649 1 1 1316 . 3 1 1 A 107 107 PHE HA H 107 3.722 4.342 -0.620 1 1 1324 . 3 1 1 A 107 107 PHE C C 107 177.265 178.054 -0.789 1 1 1325 . 3 1 1 A 107 107 PHE CA C 107 64.284 59.778 4.506 1 1 1326 . 3 1 1 A 107 107 PHE CB C 107 39.209 38.423 0.786 1 1 1332 . 3 1 1 A 107 107 PHE N N 107 122.710 120.560 2.150 1 1 1333 . 3 1 1 A 108 108 ILE H H 108 8.674 9.254 -0.580 1 1 1334 . 3 1 1 A 108 108 ILE HA H 108 3.523 3.762 -0.239 1 1 1344 . 3 1 1 A 108 108 ILE C C 108 178.623 178.058 0.565 1 1 1345 . 3 1 1 A 108 108 ILE CA C 108 66.384 65.070 1.314 1 1 1346 . 3 1 1 A 108 108 ILE CB C 108 37.852 37.968 -0.116 1 1 1350 . 3 1 1 A 108 108 ILE N N 108 117.395 120.018 -2.623 1 1 1351 . 3 1 1 A 109 109 LEU H H 109 8.378 7.971 0.407 1 1 1352 . 3 1 1 A 109 109 LEU HA H 109 4.032 4.311 -0.279 1 1 1362 . 3 1 1 A 109 109 LEU C C 109 178.635 179.541 -0.906 1 1 1363 . 3 1 1 A 109 109 LEU CA C 109 57.878 57.778 0.100 1 1 1364 . 3 1 1 A 109 109 LEU CB C 109 40.854 41.674 -0.820 1 1 1368 . 3 1 1 A 109 109 LEU N N 109 118.573 119.358 -0.785 1 1 1369 . 3 1 1 A 110 110 THR H H 110 7.600 7.877 -0.277 1 1 1370 . 3 1 1 A 110 110 THR HA H 110 4.110 4.500 -0.390 1 1 1375 . 3 1 1 A 110 110 THR C C 110 177.265 175.972 1.293 1 1 1376 . 3 1 1 A 110 110 THR CA C 110 68.325 66.136 2.189 1 1 1377 . 3 1 1 A 110 110 THR CB C 110 68.230 68.945 -0.715 1 1 1379 . 3 1 1 A 110 110 THR N N 110 115.926 114.832 1.094 1 1 1380 . 3 1 1 A 111 111 VAL H H 111 7.490 7.848 -0.358 1 1 1381 . 3 1 1 A 111 111 VAL HA H 111 3.912 4.128 -0.216 1 1 1389 . 3 1 1 A 111 111 VAL C C 111 174.793 176.700 -1.907 1 1 1390 . 3 1 1 A 111 111 VAL CA C 111 64.601 61.202 3.399 1 1 1391 . 3 1 1 A 111 111 VAL CB C 111 32.007 31.614 0.393 1 1 1394 . 3 1 1 A 111 111 VAL N N 111 109.123 115.437 -6.314 1 1 1395 . 3 1 1 A 112 112 THR H H 112 7.410 7.660 -0.250 1 1 1396 . 3 1 1 A 112 112 THR HA H 112 4.494 4.562 -0.068 1 1 1401 . 3 1 1 A 112 112 THR C C 112 177.265 175.409 1.856 1 1 1402 . 3 1 1 A 112 112 THR CA C 112 62.784 62.152 0.632 1 1 1403 . 3 1 1 A 112 112 THR CB C 112 69.290 70.384 -1.094 1 1 1405 . 3 1 1 A 112 112 THR N N 112 107.046 112.303 -5.257 1 1 1406 . 3 1 1 A 113 113 GLU H H 113 8.541 8.571 -0.030 1 1 1407 . 3 1 1 A 113 113 GLU HA H 113 4.280 4.347 -0.067 1 1 1412 . 3 1 1 A 113 113 GLU C C 113 176.745 175.810 0.935 1 1 1413 . 3 1 1 A 113 113 GLU CA C 113 57.048 56.321 0.727 1 1 1414 . 3 1 1 A 113 113 GLU CB C 113 29.422 29.991 -0.569 1 1 1416 . 3 1 1 A 113 113 GLU N N 113 120.888 119.763 1.125 1 1 1417 . 3 1 1 A 114 114 LEU H H 114 7.561 7.892 -0.331 1 1 1418 . 3 1 1 A 114 114 LEU HA H 114 4.042 3.956 0.086 1 1 1428 . 3 1 1 A 114 114 LEU C C 114 175.569 175.103 0.466 1 1 1429 . 3 1 1 A 114 114 LEU CA C 114 55.213 56.270 -1.057 1 1 1430 . 3 1 1 A 114 114 LEU CB C 114 38.182 40.634 -2.452 1 1 1434 . 3 1 1 A 114 114 LEU N N 114 114.453 119.046 -4.593 1 1 1435 . 3 1 1 A 115 115 SER H H 115 7.113 7.699 -0.586 1 1 1436 . 3 1 1 A 115 115 SER HA H 115 4.315 4.768 -0.453 1 1 1439 . 3 1 1 A 115 115 SER C C 115 173.521 172.114 1.407 1 1 1440 . 3 1 1 A 115 115 SER CA C 115 57.454 55.780 1.674 1 1 1441 . 3 1 1 A 115 115 SER CB C 115 64.505 65.233 -0.728 1 1 1442 . 3 1 1 A 115 115 SER N N 115 110.010 113.002 -2.992 1 1 1443 . 3 1 1 A 116 116 VAL H H 116 8.635 8.517 0.118 1 1 1444 . 3 1 1 A 116 116 VAL HA H 116 4.210 4.394 -0.184 1 1 1452 . 3 1 1 A 116 116 VAL C C 116 175.024 174.161 0.863 1 1 1453 . 3 1 1 A 116 116 VAL CA C 116 60.948 58.803 2.145 1 1 1454 . 3 1 1 A 116 116 VAL CB C 116 32.177 34.928 -2.751 1 1 1457 . 3 1 1 A 116 116 VAL N N 116 129.442 121.479 7.963 1 1 1458 . 3 1 1 A 117 117 PRO HA H 117 4.381 4.691 -0.310 1 1 1465 . 3 1 1 A 117 117 PRO C C 117 176.478 177.172 -0.694 1 1 1466 . 3 1 1 A 117 117 PRO CA C 117 62.678 62.498 0.180 1 1 1467 . 3 1 1 A 117 117 PRO CB C 117 31.931 31.878 0.053 1 1 1470 . 3 1 1 A 118 118 GLN H H 118 8.576 8.830 -0.254 1 1 1471 . 3 1 1 A 118 118 GLN HA H 118 4.282 4.248 0.034 1 1 1478 . 3 1 1 A 118 118 GLN C C 118 176.575 176.380 0.195 1 1 1479 . 3 1 1 A 118 118 GLN CA C 118 55.866 56.516 -0.650 1 1 1480 . 3 1 1 A 118 118 GLN CB C 118 29.704 29.248 0.456 1 1 1482 . 3 1 1 A 118 118 GLN N N 118 118.498 120.932 -2.434 1 1 1484 . 3 1 1 A 119 119 ASN H H 119 8.444 7.839 0.605 1 1 1485 . 3 1 1 A 119 119 ASN HA H 119 4.727 4.848 -0.121 1 1 1490 . 3 1 1 A 119 119 ASN C C 119 174.842 173.763 1.079 1 1 1491 . 3 1 1 A 119 119 ASN CA C 119 52.812 52.488 0.324 1 1 1492 . 3 1 1 A 119 119 ASN CB C 119 37.071 36.784 0.287 1 1 1493 . 3 1 1 A 119 119 ASN N N 119 117.223 116.727 0.496 1 1 1495 . 3 1 1 A 120 120 VAL H H 120 7.182 7.598 -0.416 1 1 1496 . 3 1 1 A 120 120 VAL HA H 120 4.381 4.868 -0.487 1 1 1504 . 3 1 1 A 120 120 VAL C C 120 175.484 175.274 0.210 1 1 1505 . 3 1 1 A 120 120 VAL CA C 120 60.048 58.962 1.086 1 1 1506 . 3 1 1 A 120 120 VAL CB C 120 34.028 34.678 -0.650 1 1 1509 . 3 1 1 A 120 120 VAL N N 120 114.038 117.725 -3.687 1 1 1510 . 3 1 1 A 121 121 SER H H 121 9.313 8.572 0.741 1 1 1511 . 3 1 1 A 121 121 SER HA H 121 4.552 4.548 0.004 1 1 1514 . 3 1 1 A 121 121 SER C C 121 173.096 174.826 -1.730 1 1 1515 . 3 1 1 A 121 121 SER CA C 121 57.119 58.362 -1.243 1 1 1516 . 3 1 1 A 121 121 SER CB C 121 62.528 63.833 -1.305 1 1 1517 . 3 1 1 A 121 121 SER N N 121 122.117 116.551 5.566 1 1 1518 . 3 1 1 A 122 122 LEU H H 122 7.470 7.385 0.085 1 1 1519 . 3 1 1 A 122 122 LEU HA H 122 4.618 4.247 0.371 1 1 1529 . 3 1 1 A 122 122 LEU C C 122 176.526 176.669 -0.143 1 1 1530 . 3 1 1 A 122 122 LEU CA C 122 52.795 55.139 -2.344 1 1 1531 . 3 1 1 A 122 122 LEU CB C 122 45.790 42.208 3.582 1 1 1535 . 3 1 1 A 122 122 LEU N N 122 122.878 124.368 -1.490 1 1 1536 . 3 1 1 A 123 123 LEU H H 123 8.765 8.378 0.387 1 1 1537 . 3 1 1 A 123 123 LEU HA H 123 4.574 4.730 -0.156 1 1 1547 . 3 1 1 A 123 123 LEU C C 123 176.769 177.170 -0.401 1 1 1548 . 3 1 1 A 123 123 LEU CA C 123 53.748 52.440 1.308 1 1 1549 . 3 1 1 A 123 123 LEU CB C 123 40.649 43.209 -2.560 1 1 1553 . 3 1 1 A 123 123 LEU N N 123 122.054 121.799 0.255 1 1 1554 . 3 1 1 A 124 124 PRO HA H 124 4.232 4.476 -0.244 1 1 1561 . 3 1 1 A 124 124 PRO CA C 124 66.281 64.094 2.187 1 1 1562 . 3 1 1 A 124 124 PRO CB C 124 31.945 31.727 0.218 1 1 1565 . 3 1 1 A 125 125 GLY HA2 H 125 3.901 3.876 0.025 1 1 1566 . 3 1 1 A 125 125 GLY HA3 H 125 3.901 3.879 0.022 1 1 1567 . 3 1 1 A 125 125 GLY C C 125 176.696 175.930 0.766 1 1 1568 . 3 1 1 A 125 125 GLY CA C 125 46.724 46.270 0.454 1 1 1569 . 3 1 1 A 126 126 GLN H H 126 7.495 7.854 -0.359 1 1 1570 . 3 1 1 A 126 126 GLN HA H 126 4.261 4.101 0.160 1 1 1577 . 3 1 1 A 126 126 GLN C C 126 178.235 178.134 0.101 1 1 1578 . 3 1 1 A 126 126 GLN CA C 126 57.807 58.597 -0.790 1 1 1579 . 3 1 1 A 126 126 GLN CB C 126 30.039 28.636 1.403 1 1 1581 . 3 1 1 A 126 126 GLN N N 126 120.404 120.825 -0.421 1 1 1583 . 3 1 1 A 127 127 VAL H H 127 7.839 7.846 -0.007 1 1 1584 . 3 1 1 A 127 127 VAL HA H 127 3.360 3.432 -0.072 1 1 1592 . 3 1 1 A 127 127 VAL C C 127 178.441 178.247 0.194 1 1 1593 . 3 1 1 A 127 127 VAL CA C 127 67.231 65.802 1.429 1 1 1594 . 3 1 1 A 127 127 VAL CB C 127 31.948 31.612 0.336 1 1 1597 . 3 1 1 A 127 127 VAL N N 127 121.180 120.486 0.694 1 1 1598 . 3 1 1 A 128 128 ILE H H 128 7.725 8.299 -0.574 1 1 1599 . 3 1 1 A 128 128 ILE HA H 128 3.820 3.589 0.231 1 1 1609 . 3 1 1 A 128 128 ILE C C 128 178.599 177.934 0.665 1 1 1610 . 3 1 1 A 128 128 ILE CA C 128 64.978 65.725 -0.747 1 1 1611 . 3 1 1 A 128 128 ILE CB C 128 37.976 37.688 0.288 1 1 1615 . 3 1 1 A 128 128 ILE N N 128 119.369 121.025 -1.656 1 1 1616 . 3 1 1 A 129 129 LYS H H 129 7.204 7.491 -0.287 1 1 1617 . 3 1 1 A 129 129 LYS HA H 129 4.241 3.910 0.331 1 1 1626 . 3 1 1 A 129 129 LYS C C 129 178.902 179.031 -0.129 1 1 1627 . 3 1 1 A 129 129 LYS CA C 129 58.690 59.379 -0.689 1 1 1628 . 3 1 1 A 129 129 LYS CB C 129 31.725 32.182 -0.457 1 1 1632 . 3 1 1 A 129 129 LYS N N 129 119.356 118.941 0.415 1 1 1633 . 3 1 1 A 130 130 LEU H H 130 7.750 7.679 0.071 1 1 1634 . 3 1 1 A 130 130 LEU HA H 130 3.649 3.690 -0.041 1 1 1644 . 3 1 1 A 130 130 LEU C C 130 178.756 178.945 -0.189 1 1 1645 . 3 1 1 A 130 130 LEU CA C 130 57.913 57.605 0.308 1 1 1646 . 3 1 1 A 130 130 LEU CB C 130 40.197 41.219 -1.022 1 1 1650 . 3 1 1 A 130 130 LEU N N 130 118.271 119.578 -1.307 1 1 1651 . 3 1 1 A 131 131 HIS H H 131 7.732 7.894 -0.162 1 1 1652 . 3 1 1 A 131 131 HIS HA H 131 3.918 4.135 -0.217 1 1 1657 . 3 1 1 A 131 131 HIS C C 131 178.392 177.676 0.716 1 1 1658 . 3 1 1 A 131 131 HIS CA C 131 61.019 59.662 1.357 1 1 1659 . 3 1 1 A 131 131 HIS CB C 131 29.951 29.507 0.444 1 1 1662 . 3 1 1 A 131 131 HIS N N 131 117.308 117.187 0.121 1 1 1663 . 3 1 1 A 132 132 GLU H H 132 8.030 9.009 -0.979 1 1 1664 . 3 1 1 A 132 132 GLU HA H 132 4.097 3.916 0.181 1 1 1669 . 3 1 1 A 132 132 GLU C C 132 179.907 179.224 0.683 1 1 1670 . 3 1 1 A 132 132 GLU CA C 132 59.660 59.391 0.269 1 1 1671 . 3 1 1 A 132 132 GLU CB C 132 29.627 29.296 0.331 1 1 1673 . 3 1 1 A 132 132 GLU N N 132 121.443 119.088 2.355 1 1 1674 . 3 1 1 A 133 133 VAL H H 133 8.250 8.968 -0.718 1 1 1675 . 3 1 1 A 133 133 VAL HA H 133 3.352 3.149 0.203 1 1 1683 . 3 1 1 A 133 133 VAL C C 133 176.575 178.093 -1.518 1 1 1684 . 3 1 1 A 133 133 VAL CA C 133 66.367 66.359 0.008 1 1 1685 . 3 1 1 A 133 133 VAL CB C 133 31.203 31.287 -0.084 1 1 1688 . 3 1 1 A 133 133 VAL N N 133 121.281 120.204 1.077 1 1 1689 . 3 1 1 A 134 134 LEU H H 134 8.259 8.195 0.064 1 1 1690 . 3 1 1 A 134 134 LEU HA H 134 3.645 3.830 -0.185 1 1 1700 . 3 1 1 A 134 134 LEU C C 134 177.980 178.185 -0.205 1 1 1701 . 3 1 1 A 134 134 LEU CA C 134 58.154 58.661 -0.507 1 1 1702 . 3 1 1 A 134 134 LEU CB C 134 40.320 42.002 -1.682 1 1 1706 . 3 1 1 A 134 134 LEU N N 134 120.134 120.483 -0.349 1 1 1707 . 3 1 1 A 135 135 GLU H H 135 7.611 8.376 -0.765 1 1 1708 . 3 1 1 A 135 135 GLU HA H 135 3.972 3.938 0.034 1 1 1713 . 3 1 1 A 135 135 GLU C C 135 179.834 179.586 0.248 1 1 1714 . 3 1 1 A 135 135 GLU CA C 135 59.325 59.761 -0.436 1 1 1715 . 3 1 1 A 135 135 GLU CB C 135 29.134 29.404 -0.270 1 1 1717 . 3 1 1 A 135 135 GLU N N 135 116.026 117.814 -1.788 1 1 1718 . 3 1 1 A 136 136 ARG H H 136 7.789 8.565 -0.776 1 1 1719 . 3 1 1 A 136 136 ARG HA H 136 4.140 4.163 -0.023 1 1 1726 . 3 1 1 A 136 136 ARG C C 136 179.083 178.832 0.251 1 1 1727 . 3 1 1 A 136 136 ARG CA C 136 59.131 59.560 -0.429 1 1 1728 . 3 1 1 A 136 136 ARG CB C 136 30.368 29.892 0.476 1 1 1731 . 3 1 1 A 136 136 ARG N N 136 119.681 120.099 -0.418 1 1 1732 . 3 1 1 A 137 137 GLU H H 137 9.238 8.250 0.988 1 1 1733 . 3 1 1 A 137 137 GLU HA H 137 4.637 4.184 0.453 1 1 1738 . 3 1 1 A 137 137 GLU C C 137 178.817 178.857 -0.040 1 1 1739 . 3 1 1 A 137 137 GLU CA C 137 58.036 59.165 -1.129 1 1 1740 . 3 1 1 A 137 137 GLU CB C 137 28.147 29.166 -1.019 1 1 1742 . 3 1 1 A 137 137 GLU N N 137 124.333 118.854 5.479 1 1 1743 . 3 1 1 A 138 138 LYS H H 138 8.788 8.433 0.355 1 1 1744 . 3 1 1 A 138 138 LYS HA H 138 3.899 4.037 -0.138 1 1 1753 . 3 1 1 A 138 138 LYS C C 138 179.944 179.154 0.790 1 1 1754 . 3 1 1 A 138 138 LYS CA C 138 60.754 59.823 0.931 1 1 1755 . 3 1 1 A 138 138 LYS CB C 138 32.789 32.432 0.357 1 1 1759 . 3 1 1 A 138 138 LYS N N 138 119.622 120.025 -0.403 1 1 1760 . 3 1 1 A 139 139 LYS H H 139 7.313 7.765 -0.452 1 1 1761 . 3 1 1 A 139 139 LYS HA H 139 4.070 4.000 0.070 1 1 1770 . 3 1 1 A 139 139 LYS C C 139 178.235 178.857 -0.622 1 1 1771 . 3 1 1 A 139 139 LYS CA C 139 59.166 59.745 -0.579 1 1 1772 . 3 1 1 A 139 139 LYS CB C 139 32.424 32.276 0.148 1 1 1776 . 3 1 1 A 139 139 LYS N N 139 117.326 120.100 -2.774 1 1 1777 . 3 1 1 A 140 140 ARG H H 140 8.344 8.232 0.112 1 1 1778 . 3 1 1 A 140 140 ARG HA H 140 4.080 3.932 0.148 1 1 1786 . 3 1 1 A 140 140 ARG C C 140 179.531 178.675 0.856 1 1 1787 . 3 1 1 A 140 140 ARG CA C 140 59.184 59.978 -0.794 1 1 1788 . 3 1 1 A 140 140 ARG CB C 140 31.190 30.229 0.961 1 1 1791 . 3 1 1 A 140 140 ARG N N 140 121.404 118.829 2.575 1 1 1793 . 3 1 1 A 141 141 ARG H H 141 8.171 8.095 0.076 1 1 1794 . 3 1 1 A 141 141 ARG HA H 141 4.034 4.015 0.019 1 1 1802 . 3 1 1 A 141 141 ARG C C 141 178.671 178.818 -0.147 1 1 1803 . 3 1 1 A 141 141 ARG CA C 141 58.337 59.161 -0.824 1 1 1804 . 3 1 1 A 141 141 ARG CB C 141 30.327 29.962 0.365 1 1 1807 . 3 1 1 A 141 141 ARG N N 141 115.667 118.651 -2.984 1 1 1809 . 3 1 1 A 142 142 ILE H H 142 7.521 8.539 -1.018 1 1 1810 . 3 1 1 A 142 142 ILE HA H 142 4.074 3.688 0.386 1 1 1820 . 3 1 1 A 142 142 ILE C C 142 177.787 177.922 -0.135 1 1 1821 . 3 1 1 A 142 142 ILE CA C 142 63.178 64.931 -1.753 1 1 1822 . 3 1 1 A 142 142 ILE CB C 142 38.346 37.844 0.502 1 1 1826 . 3 1 1 A 142 142 ILE N N 142 118.031 121.168 -3.137 1 1 1827 . 3 1 1 A 143 143 GLU H H 143 8.041 8.171 -0.130 1 1 1828 . 3 1 1 A 143 143 GLU HA H 143 4.251 4.014 0.237 1 1 1833 . 3 1 1 A 143 143 GLU C C 143 177.217 176.932 0.285 1 1 1834 . 3 1 1 A 143 143 GLU CA C 143 57.595 59.672 -2.077 1 1 1835 . 3 1 1 A 143 143 GLU CB C 143 29.998 29.610 0.388 1 1 1837 . 3 1 1 A 143 143 GLU N N 143 120.963 119.675 1.288 1 1 1838 . 3 1 1 A 144 144 SER H H 144 8.041 8.259 -0.218 1 1 1839 . 3 1 1 A 144 144 SER HA H 144 4.538 4.440 0.098 1 1 1842 . 3 1 1 A 144 144 SER C C 144 174.721 173.698 1.023 1 1 1843 . 3 1 1 A 144 144 SER CA C 144 58.801 59.917 -1.116 1 1 1844 . 3 1 1 A 144 144 SER CB C 144 64.126 63.251 0.875 1 1 1845 . 3 1 1 A 144 144 SER N N 144 114.646 114.626 0.020 1 1 1846 . 3 1 1 A 145 145 GLY H H 145 7.982 8.943 -0.961 1 1 1847 . 3 1 1 A 145 145 GLY HA2 H 145 4.102 4.091 0.011 1 1 1848 . 3 1 1 A 145 145 GLY HA3 H 145 4.231 4.092 0.139 1 1 1849 . 3 1 1 A 145 145 GLY C C 145 171.800 173.380 -1.580 1 1 1850 . 3 1 1 A 145 145 GLY CA C 145 44.854 44.074 0.780 1 1 1851 . 3 1 1 A 145 145 GLY N N 145 110.299 107.869 2.430 1 1 1852 . 3 1 1 A 146 146 PRO HA H 146 4.510 4.407 0.103 1 1 1859 . 3 1 1 A 146 146 PRO C C 146 177.496 177.000 0.496 1 1 1860 . 3 1 1 A 146 146 PRO CA C 146 63.313 63.337 -0.024 1 1 1861 . 3 1 1 A 146 146 PRO CB C 146 32.177 31.558 0.619 1 1 1864 . 3 1 1 A 147 147 SER H H 147 8.530 8.491 0.039 1 1 1865 . 3 1 1 A 147 147 SER C C 147 174.721 172.480 2.241 1 1 1866 . 3 1 1 A 147 147 SER CA C 147 58.390 60.411 -2.021 1 1 1867 . 3 1 1 A 147 147 SER CB C 147 63.803 62.006 1.797 1 1 1868 . 3 1 1 A 147 147 SER N N 147 116.436 113.883 2.553 1 1 1869 . 3 1 1 A 148 148 SER H H 148 8.348 8.738 -0.390 1 1 1870 . 3 1 1 A 148 148 SER C C 148 173.957 173.888 0.069 1 1 1871 . 3 1 1 A 148 148 SER CA C 148 58.372 58.082 0.290 1 1 1872 . 3 1 1 A 148 148 SER CB C 148 64.008 66.512 -2.504 1 1 1 . 4 1 1 A 8 8 GLN HA H 8 4.221 4.952 -0.731 1 1 8 . 4 1 1 A 8 8 GLN CA C 8 56.851 54.141 2.710 1 1 9 . 4 1 1 A 8 8 GLN CB C 8 28.887 32.520 -3.633 1 1 12 . 4 1 1 A 9 9 GLU H H 9 8.480 9.129 -0.649 1 1 13 . 4 1 1 A 9 9 GLU HA H 9 4.166 5.105 -0.939 1 1 18 . 4 1 1 A 9 9 GLU CA C 9 58.333 54.619 3.714 1 1 19 . 4 1 1 A 9 9 GLU CB C 9 29.545 33.385 -3.840 1 1 21 . 4 1 1 A 9 9 GLU N N 9 121.149 118.408 2.741 1 1 22 . 4 1 1 A 10 10 ARG H H 10 8.336 8.634 -0.298 1 1 23 . 4 1 1 A 10 10 ARG HA H 10 4.131 4.755 -0.624 1 1 30 . 4 1 1 A 10 10 ARG C C 10 177.350 175.734 1.616 1 1 31 . 4 1 1 A 10 10 ARG CA C 10 57.731 54.674 3.057 1 1 32 . 4 1 1 A 10 10 ARG CB C 10 30.061 30.906 -0.845 1 1 35 . 4 1 1 A 10 10 ARG N N 10 120.177 124.035 -3.858 1 1 36 . 4 1 1 A 11 11 LEU H H 11 7.741 8.639 -0.898 1 1 37 . 4 1 1 A 11 11 LEU HA H 11 4.219 4.410 -0.191 1 1 44 . 4 1 1 A 11 11 LEU CA C 11 56.781 54.722 2.059 1 1 45 . 4 1 1 A 11 11 LEU CB C 11 41.875 42.458 -0.583 1 1 49 . 4 1 1 A 11 11 LEU N N 11 120.410 125.743 -5.333 1 1 50 . 4 1 1 A 12 12 LYS H H 12 7.816 8.916 -1.100 1 1 51 . 4 1 1 A 12 12 LYS HA H 12 4.091 4.935 -0.844 1 1 60 . 4 1 1 A 12 12 LYS CA C 12 58.234 54.458 3.776 1 1 61 . 4 1 1 A 12 12 LYS CB C 12 32.530 36.070 -3.540 1 1 65 . 4 1 1 A 12 12 LYS N N 12 119.365 116.956 2.409 1 1 66 . 4 1 1 A 13 13 ILE H H 13 7.851 8.593 -0.742 1 1 67 . 4 1 1 A 13 13 ILE HA H 13 3.951 3.869 0.082 1 1 77 . 4 1 1 A 13 13 ILE C C 13 176.914 176.706 0.208 1 1 78 . 4 1 1 A 13 13 ILE CA C 13 62.713 62.596 0.117 1 1 79 . 4 1 1 A 13 13 ILE CB C 13 38.264 37.662 0.602 1 1 83 . 4 1 1 A 14 14 THR H H 14 7.750 8.644 -0.894 1 1 84 . 4 1 1 A 14 14 THR HA H 14 4.021 3.824 0.197 1 1 88 . 4 1 1 A 14 14 THR C C 14 174.818 173.589 1.229 1 1 89 . 4 1 1 A 14 14 THR CA C 14 63.172 62.437 0.735 1 1 90 . 4 1 1 A 14 14 THR CB C 14 68.985 66.826 2.159 1 1 92 . 4 1 1 A 14 14 THR N N 14 110.999 117.495 -6.496 1 1 93 . 4 1 1 A 15 15 ALA H H 15 7.922 7.885 0.037 1 1 94 . 4 1 1 A 15 15 ALA HA H 15 4.141 4.684 -0.543 1 1 98 . 4 1 1 A 15 15 ALA C C 15 177.593 177.238 0.355 1 1 99 . 4 1 1 A 15 15 ALA CA C 15 53.007 50.709 2.298 1 1 100 . 4 1 1 A 15 15 ALA CB C 15 18.747 20.850 -2.103 1 1 101 . 4 1 1 A 15 15 ALA N N 15 122.429 122.619 -0.190 1 1 102 . 4 1 1 A 16 16 LEU H H 16 7.442 8.367 -0.925 1 1 103 . 4 1 1 A 16 16 LEU HA H 16 4.653 4.371 0.282 1 1 112 . 4 1 1 A 16 16 LEU C C 16 173.182 174.781 -1.599 1 1 113 . 4 1 1 A 16 16 LEU CA C 16 51.524 53.759 -2.235 1 1 114 . 4 1 1 A 16 16 LEU CB C 16 45.831 41.384 4.447 1 1 118 . 4 1 1 A 16 16 LEU N N 16 120.226 121.386 -1.160 1 1 119 . 4 1 1 A 17 17 PRO HA H 17 4.140 4.691 -0.551 1 1 126 . 4 1 1 A 17 17 PRO C C 17 174.296 176.100 -1.804 1 1 127 . 4 1 1 A 17 17 PRO CA C 17 62.007 62.310 -0.303 1 1 128 . 4 1 1 A 17 17 PRO CB C 17 32.013 31.772 0.241 1 1 131 . 4 1 1 A 18 18 LEU H H 18 8.071 8.245 -0.174 1 1 132 . 4 1 1 A 18 18 LEU HA H 18 4.097 4.082 0.015 1 1 142 . 4 1 1 A 18 18 LEU C C 18 176.974 175.504 1.470 1 1 143 . 4 1 1 A 18 18 LEU CA C 18 55.043 55.436 -0.393 1 1 144 . 4 1 1 A 18 18 LEU CB C 18 42.376 42.418 -0.042 1 1 148 . 4 1 1 A 18 18 LEU N N 18 119.963 123.441 -3.478 1 1 149 . 4 1 1 A 19 19 TYR H H 19 9.108 9.036 0.072 1 1 150 . 4 1 1 A 19 19 TYR HA H 19 5.121 4.907 0.214 1 1 157 . 4 1 1 A 19 19 TYR C C 19 174.515 175.905 -1.390 1 1 158 . 4 1 1 A 19 19 TYR CA C 19 55.160 59.309 -4.149 1 1 159 . 4 1 1 A 19 19 TYR CB C 19 39.292 40.825 -1.533 1 1 164 . 4 1 1 A 19 19 TYR N N 19 127.955 123.475 4.480 1 1 165 . 4 1 1 A 20 20 PHE H H 20 7.560 7.080 0.480 1 1 166 . 4 1 1 A 20 20 PHE HA H 20 4.281 4.369 -0.088 1 1 174 . 4 1 1 A 20 20 PHE C C 20 171.170 172.928 -1.758 1 1 175 . 4 1 1 A 20 20 PHE CA C 20 57.031 56.686 0.345 1 1 176 . 4 1 1 A 20 20 PHE CB C 20 40.937 41.517 -0.580 1 1 182 . 4 1 1 A 20 20 PHE N N 20 115.328 115.962 -0.634 1 1 183 . 4 1 1 A 21 21 GLU H H 21 5.556 7.894 -2.338 1 1 184 . 4 1 1 A 21 21 GLU HA H 21 5.191 4.813 0.378 1 1 189 . 4 1 1 A 21 21 GLU C C 21 173.024 174.023 -0.999 1 1 190 . 4 1 1 A 21 21 GLU CA C 21 53.025 54.628 -1.603 1 1 191 . 4 1 1 A 21 21 GLU CB C 21 31.760 32.454 -0.694 1 1 193 . 4 1 1 A 21 21 GLU N N 21 118.643 121.522 -2.879 1 1 194 . 4 1 1 A 22 22 GLY H H 22 7.721 7.741 -0.020 1 1 195 . 4 1 1 A 22 22 GLY HA2 H 22 4.024 3.925 0.099 1 1 196 . 4 1 1 A 22 22 GLY HA3 H 22 3.107 4.050 -0.943 1 1 197 . 4 1 1 A 22 22 GLY C C 22 171.994 171.947 0.047 1 1 198 . 4 1 1 A 22 22 GLY CA C 22 45.013 45.597 -0.584 1 1 199 . 4 1 1 A 22 22 GLY N N 22 106.155 107.630 -1.475 1 1 200 . 4 1 1 A 23 23 PHE H H 23 8.881 8.731 0.150 1 1 201 . 4 1 1 A 23 23 PHE HA H 23 5.303 4.563 0.740 1 1 209 . 4 1 1 A 23 23 PHE C C 23 176.926 175.296 1.630 1 1 210 . 4 1 1 A 23 23 PHE CA C 23 60.013 59.862 0.151 1 1 211 . 4 1 1 A 23 23 PHE CB C 23 40.937 39.361 1.576 1 1 217 . 4 1 1 A 23 23 PHE N N 23 119.442 121.337 -1.895 1 1 218 . 4 1 1 A 24 24 LEU H H 24 9.072 8.697 0.375 1 1 219 . 4 1 1 A 24 24 LEU HA H 24 4.562 5.035 -0.473 1 1 229 . 4 1 1 A 24 24 LEU C C 24 174.406 174.645 -0.239 1 1 230 . 4 1 1 A 24 24 LEU CA C 24 54.437 53.479 0.958 1 1 231 . 4 1 1 A 24 24 LEU CB C 24 48.381 45.189 3.192 1 1 235 . 4 1 1 A 24 24 LEU N N 24 122.488 125.998 -3.510 1 1 236 . 4 1 1 A 25 25 LEU H H 25 8.120 8.398 -0.278 1 1 237 . 4 1 1 A 25 25 LEU HA H 25 5.480 5.239 0.241 1 1 247 . 4 1 1 A 25 25 LEU C C 25 176.175 175.979 0.196 1 1 248 . 4 1 1 A 25 25 LEU CA C 25 54.242 53.287 0.955 1 1 249 . 4 1 1 A 25 25 LEU CB C 25 42.576 42.669 -0.093 1 1 253 . 4 1 1 A 25 25 LEU N N 25 120.790 125.790 -5.000 1 1 254 . 4 1 1 A 26 26 ILE H H 26 9.110 8.912 0.198 1 1 255 . 4 1 1 A 26 26 ILE HA H 26 5.232 4.704 0.528 1 1 265 . 4 1 1 A 26 26 ILE C C 26 174.757 174.609 0.148 1 1 266 . 4 1 1 A 26 26 ILE CA C 26 57.613 59.987 -2.374 1 1 267 . 4 1 1 A 26 26 ILE CB C 26 41.343 40.103 1.240 1 1 271 . 4 1 1 A 26 26 ILE N N 26 120.679 124.800 -4.121 1 1 272 . 4 1 1 A 27 27 LYS H H 27 9.150 9.056 0.094 1 1 273 . 4 1 1 A 27 27 LYS HA H 27 4.425 4.514 -0.089 1 1 282 . 4 1 1 A 27 27 LYS C C 27 175.557 175.369 0.188 1 1 283 . 4 1 1 A 27 27 LYS CA C 27 56.095 54.657 1.438 1 1 284 . 4 1 1 A 27 27 LYS CB C 27 35.056 32.330 2.726 1 1 288 . 4 1 1 A 27 27 LYS N N 27 127.778 129.065 -1.287 1 1 289 . 4 1 1 A 28 28 ARG H H 28 5.868 6.893 -1.025 1 1 290 . 4 1 1 A 28 28 ARG HA H 28 4.429 4.077 0.352 1 1 298 . 4 1 1 A 28 28 ARG C C 28 176.078 177.261 -1.183 1 1 299 . 4 1 1 A 28 28 ARG CA C 28 54.542 55.486 -0.944 1 1 300 . 4 1 1 A 28 28 ARG CB C 28 31.602 30.700 0.902 1 1 303 . 4 1 1 A 28 28 ARG N N 28 124.548 126.623 -2.075 1 1 305 . 4 1 1 A 29 29 SER H H 29 9.067 8.845 0.222 1 1 306 . 4 1 1 A 29 29 SER HA H 29 4.181 4.054 0.127 1 1 309 . 4 1 1 A 29 29 SER C C 29 176.066 175.203 0.863 1 1 310 . 4 1 1 A 29 29 SER CA C 29 61.019 61.086 -0.067 1 1 311 . 4 1 1 A 29 29 SER CB C 29 63.057 62.879 0.178 1 1 312 . 4 1 1 A 29 29 SER N N 29 116.823 117.593 -0.770 1 1 313 . 4 1 1 A 30 30 GLY HA2 H 30 3.810 4.027 -0.217 1 1 314 . 4 1 1 A 30 30 GLY HA3 H 30 4.172 4.045 0.127 1 1 315 . 4 1 1 A 30 30 GLY CA C 30 45.171 46.712 -1.541 1 1 316 . 4 1 1 A 31 31 TYR H H 31 8.001 8.422 -0.421 1 1 317 . 4 1 1 A 31 31 TYR HA H 31 4.729 4.977 -0.248 1 1 324 . 4 1 1 A 31 31 TYR CB C 31 37.249 39.966 -2.717 1 1 329 . 4 1 1 A 31 31 TYR N N 31 121.120 122.407 -1.287 1 1 330 . 4 1 1 A 32 32 ARG HA H 32 4.204 4.024 0.180 1 1 337 . 4 1 1 A 32 32 ARG C C 32 176.066 175.754 0.312 1 1 338 . 4 1 1 A 32 32 ARG CA C 32 57.631 58.454 -0.823 1 1 339 . 4 1 1 A 32 32 ARG CB C 32 30.861 30.319 0.542 1 1 342 . 4 1 1 A 33 33 GLU H H 33 7.700 7.619 0.081 1 1 343 . 4 1 1 A 33 33 GLU HA H 33 4.600 4.407 0.193 1 1 348 . 4 1 1 A 33 33 GLU C C 33 175.569 174.643 0.926 1 1 349 . 4 1 1 A 33 33 GLU CA C 33 53.695 55.392 -1.697 1 1 350 . 4 1 1 A 33 33 GLU CB C 33 33.000 31.505 1.495 1 1 352 . 4 1 1 A 33 33 GLU N N 33 115.988 113.850 2.138 1 1 353 . 4 1 1 A 34 34 TYR H H 34 8.755 8.454 0.301 1 1 354 . 4 1 1 A 34 34 TYR HA H 34 4.311 4.493 -0.182 1 1 361 . 4 1 1 A 34 34 TYR C C 34 176.999 175.633 1.366 1 1 362 . 4 1 1 A 34 34 TYR CA C 34 59.537 59.659 -0.122 1 1 363 . 4 1 1 A 34 34 TYR CB C 34 39.744 38.788 0.956 1 1 368 . 4 1 1 A 34 34 TYR N N 34 118.663 121.534 -2.871 1 1 369 . 4 1 1 A 35 35 GLU H H 35 9.024 8.867 0.157 1 1 370 . 4 1 1 A 35 35 GLU HA H 35 4.401 4.744 -0.343 1 1 375 . 4 1 1 A 35 35 GLU C C 35 174.406 175.621 -1.215 1 1 376 . 4 1 1 A 35 35 GLU CA C 35 54.330 55.170 -0.840 1 1 377 . 4 1 1 A 35 35 GLU CB C 35 31.972 31.821 0.151 1 1 379 . 4 1 1 A 35 35 GLU N N 35 122.488 124.350 -1.862 1 1 380 . 4 1 1 A 36 36 HIS H H 36 8.639 8.930 -0.291 1 1 381 . 4 1 1 A 36 36 HIS HA H 36 4.980 4.943 0.037 1 1 386 . 4 1 1 A 36 36 HIS C C 36 174.127 174.572 -0.445 1 1 387 . 4 1 1 A 36 36 HIS CA C 36 55.607 55.259 0.348 1 1 388 . 4 1 1 A 36 36 HIS CB C 36 31.396 29.501 1.895 1 1 391 . 4 1 1 A 36 36 HIS N N 36 123.767 121.178 2.589 1 1 392 . 4 1 1 A 37 37 TYR H H 37 8.931 8.942 -0.011 1 1 393 . 4 1 1 A 37 37 TYR HA H 37 5.668 5.026 0.642 1 1 400 . 4 1 1 A 37 37 TYR C C 37 177.969 174.892 3.077 1 1 401 . 4 1 1 A 37 37 TYR CA C 37 55.407 56.710 -1.303 1 1 402 . 4 1 1 A 37 37 TYR CB C 37 42.089 42.331 -0.242 1 1 407 . 4 1 1 A 37 37 TYR N N 37 124.075 122.612 1.463 1 1 408 . 4 1 1 A 38 38 TRP H H 38 8.931 9.589 -0.658 1 1 409 . 4 1 1 A 38 38 TRP HA H 38 4.329 5.032 -0.703 1 1 418 . 4 1 1 A 38 38 TRP C C 38 174.345 175.416 -1.071 1 1 419 . 4 1 1 A 38 38 TRP CA C 38 58.230 56.310 1.920 1 1 420 . 4 1 1 A 38 38 TRP CB C 38 28.846 29.236 -0.390 1 1 426 . 4 1 1 A 38 38 TRP N N 38 125.317 126.657 -1.340 1 1 428 . 4 1 1 A 39 39 THR H H 39 8.366 8.776 -0.410 1 1 429 . 4 1 1 A 39 39 THR HA H 39 5.535 5.175 0.360 1 1 434 . 4 1 1 A 39 39 THR C C 39 173.303 174.296 -0.993 1 1 435 . 4 1 1 A 39 39 THR CA C 39 62.037 62.850 -0.813 1 1 436 . 4 1 1 A 39 39 THR CB C 39 70.295 70.176 0.119 1 1 438 . 4 1 1 A 39 39 THR N N 39 127.024 122.805 4.219 1 1 439 . 4 1 1 A 40 40 GLU H H 40 8.902 10.121 -1.219 1 1 440 . 4 1 1 A 40 40 GLU HA H 40 4.816 4.813 0.003 1 1 445 . 4 1 1 A 40 40 GLU C C 40 175.351 174.753 0.598 1 1 446 . 4 1 1 A 40 40 GLU CA C 40 53.607 54.887 -1.280 1 1 447 . 4 1 1 A 40 40 GLU CB C 40 34.639 32.810 1.829 1 1 449 . 4 1 1 A 40 40 GLU N N 40 120.613 125.197 -4.584 1 1 450 . 4 1 1 A 41 41 LEU H H 41 8.910 9.070 -0.160 1 1 451 . 4 1 1 A 41 41 LEU HA H 41 5.168 5.144 0.024 1 1 461 . 4 1 1 A 41 41 LEU C C 41 174.806 175.000 -0.194 1 1 462 . 4 1 1 A 41 41 LEU CA C 41 53.872 54.496 -0.624 1 1 463 . 4 1 1 A 41 41 LEU CB C 41 43.610 43.114 0.496 1 1 467 . 4 1 1 A 41 41 LEU N N 41 123.682 127.734 -4.052 1 1 468 . 4 1 1 A 42 42 ARG H H 42 9.150 8.431 0.719 1 1 469 . 4 1 1 A 42 42 ARG HA H 42 5.182 4.545 0.637 1 1 474 . 4 1 1 A 42 42 ARG C C 42 176.272 176.409 -0.137 1 1 475 . 4 1 1 A 42 42 ARG CA C 42 53.643 54.857 -1.214 1 1 476 . 4 1 1 A 42 42 ARG CB C 42 33.205 33.273 -0.068 1 1 479 . 4 1 1 A 42 42 ARG N N 42 127.645 126.033 1.612 1 1 480 . 4 1 1 A 43 43 GLY H H 43 6.304 8.313 -2.009 1 1 481 . 4 1 1 A 43 43 GLY HA2 H 43 3.917 3.872 0.045 1 1 482 . 4 1 1 A 43 43 GLY HA3 H 43 3.812 4.018 -0.206 1 1 483 . 4 1 1 A 43 43 GLY C C 43 171.630 174.603 -2.973 1 1 484 . 4 1 1 A 43 43 GLY CA C 43 47.025 47.487 -0.462 1 1 485 . 4 1 1 A 43 43 GLY N N 43 112.565 113.233 -0.668 1 1 486 . 4 1 1 A 44 44 THR H H 44 7.841 8.256 -0.415 1 1 487 . 4 1 1 A 44 44 THR HA H 44 4.313 4.742 -0.429 1 1 492 . 4 1 1 A 44 44 THR C C 44 172.515 173.802 -1.287 1 1 493 . 4 1 1 A 44 44 THR CA C 44 60.207 60.221 -0.014 1 1 494 . 4 1 1 A 44 44 THR CB C 44 68.320 68.755 -0.435 1 1 496 . 4 1 1 A 44 44 THR N N 44 111.769 117.003 -5.234 1 1 497 . 4 1 1 A 45 45 THR H H 45 8.500 7.868 0.632 1 1 498 . 4 1 1 A 45 45 THR HA H 45 4.664 5.118 -0.454 1 1 503 . 4 1 1 A 45 45 THR C C 45 172.224 172.952 -0.728 1 1 504 . 4 1 1 A 45 45 THR CA C 45 62.413 61.462 0.951 1 1 505 . 4 1 1 A 45 45 THR CB C 45 69.848 71.396 -1.548 1 1 507 . 4 1 1 A 45 45 THR N N 45 118.681 116.173 2.508 1 1 508 . 4 1 1 A 46 46 LEU H H 46 8.391 8.792 -0.401 1 1 509 . 4 1 1 A 46 46 LEU HA H 46 4.892 4.675 0.217 1 1 519 . 4 1 1 A 46 46 LEU C C 46 174.260 175.412 -1.152 1 1 520 . 4 1 1 A 46 46 LEU CA C 46 52.654 53.916 -1.262 1 1 521 . 4 1 1 A 46 46 LEU CB C 46 42.911 40.992 1.919 1 1 525 . 4 1 1 A 46 46 LEU N N 46 125.559 128.255 -2.696 1 1 526 . 4 1 1 A 47 47 PHE H H 47 9.131 9.188 -0.057 1 1 527 . 4 1 1 A 47 47 PHE HA H 47 3.940 4.445 -0.505 1 1 535 . 4 1 1 A 47 47 PHE C C 47 173.363 174.631 -1.268 1 1 536 . 4 1 1 A 47 47 PHE CA C 47 57.454 56.235 1.219 1 1 537 . 4 1 1 A 47 47 PHE CB C 47 42.747 39.617 3.130 1 1 543 . 4 1 1 A 47 47 PHE N N 47 121.095 124.703 -3.608 1 1 544 . 4 1 1 A 48 48 PHE H H 48 7.881 9.274 -1.393 1 1 545 . 4 1 1 A 48 48 PHE HA H 48 5.021 5.366 -0.345 1 1 553 . 4 1 1 A 48 48 PHE C C 48 173.727 174.591 -0.864 1 1 554 . 4 1 1 A 48 48 PHE CA C 48 56.166 55.633 0.533 1 1 555 . 4 1 1 A 48 48 PHE CB C 48 39.169 40.960 -1.791 1 1 561 . 4 1 1 A 48 48 PHE N N 48 120.063 122.742 -2.679 1 1 562 . 4 1 1 A 49 49 TYR H H 49 9.972 9.390 0.582 1 1 563 . 4 1 1 A 49 49 TYR HA H 49 5.190 5.237 -0.047 1 1 570 . 4 1 1 A 49 49 TYR C C 49 176.587 176.637 -0.050 1 1 571 . 4 1 1 A 49 49 TYR CA C 49 56.254 57.105 -0.851 1 1 572 . 4 1 1 A 49 49 TYR CB C 49 41.842 43.499 -1.657 1 1 577 . 4 1 1 A 49 49 TYR N N 49 121.415 121.413 0.002 1 1 578 . 4 1 1 A 50 50 THR H H 50 9.511 8.922 0.589 1 1 579 . 4 1 1 A 50 50 THR HA H 50 4.571 4.584 -0.013 1 1 584 . 4 1 1 A 50 50 THR C C 50 174.793 174.798 -0.005 1 1 585 . 4 1 1 A 50 50 THR CA C 50 65.361 64.333 1.028 1 1 586 . 4 1 1 A 50 50 THR CB C 50 69.043 69.318 -0.275 1 1 588 . 4 1 1 A 50 50 THR N N 50 114.446 116.048 -1.602 1 1 589 . 4 1 1 A 51 51 ASP H H 51 7.828 8.149 -0.321 1 1 590 . 4 1 1 A 51 51 ASP HA H 51 4.803 5.224 -0.421 1 1 593 . 4 1 1 A 51 51 ASP C C 51 174.685 176.062 -1.377 1 1 594 . 4 1 1 A 51 51 ASP CA C 51 53.254 55.848 -2.594 1 1 595 . 4 1 1 A 51 51 ASP CB C 51 43.586 42.971 0.615 1 1 596 . 4 1 1 A 51 51 ASP N N 51 115.656 120.919 -5.263 1 1 597 . 4 1 1 A 52 52 LYS H H 52 8.271 7.814 0.457 1 1 598 . 4 1 1 A 52 52 LYS HA H 52 2.800 4.410 -1.610 1 1 607 . 4 1 1 A 52 52 LYS C C 52 176.671 177.754 -1.083 1 1 608 . 4 1 1 A 52 52 LYS CA C 52 58.372 57.518 0.854 1 1 609 . 4 1 1 A 52 52 LYS CB C 52 32.178 34.143 -1.965 1 1 613 . 4 1 1 A 52 52 LYS N N 52 119.009 116.932 2.077 1 1 614 . 4 1 1 A 53 53 LYS H H 53 8.068 8.641 -0.573 1 1 615 . 4 1 1 A 53 53 LYS HA H 53 4.109 4.001 0.108 1 1 624 . 4 1 1 A 53 53 LYS C C 53 176.950 177.508 -0.558 1 1 625 . 4 1 1 A 53 53 LYS CA C 53 55.830 59.504 -3.674 1 1 626 . 4 1 1 A 53 53 LYS CB C 53 32.301 32.035 0.266 1 1 630 . 4 1 1 A 53 53 LYS N N 53 116.395 121.067 -4.672 1 1 631 . 4 1 1 A 54 54 SER H H 54 7.549 7.727 -0.178 1 1 632 . 4 1 1 A 54 54 SER HA H 54 4.316 4.392 -0.076 1 1 635 . 4 1 1 A 54 54 SER C C 54 174.394 175.016 -0.622 1 1 636 . 4 1 1 A 54 54 SER CA C 54 59.395 58.775 0.620 1 1 637 . 4 1 1 A 54 54 SER CB C 54 64.337 64.253 0.084 1 1 638 . 4 1 1 A 54 54 SER N N 54 116.653 114.134 2.519 1 1 639 . 4 1 1 A 55 55 ILE H H 55 8.424 8.919 -0.495 1 1 640 . 4 1 1 A 55 55 ILE HA H 55 4.267 4.286 -0.019 1 1 650 . 4 1 1 A 55 55 ILE C C 55 174.999 176.671 -1.672 1 1 651 . 4 1 1 A 55 55 ILE CA C 55 62.213 63.655 -1.442 1 1 652 . 4 1 1 A 55 55 ILE CB C 55 38.728 38.819 -0.091 1 1 656 . 4 1 1 A 55 55 ILE N N 55 118.660 128.615 -9.955 1 1 657 . 4 1 1 A 56 56 ILE H H 56 7.771 7.846 -0.075 1 1 658 . 4 1 1 A 56 56 ILE HA H 56 4.561 4.273 0.288 1 1 668 . 4 1 1 A 56 56 ILE C C 56 175.266 175.133 0.133 1 1 669 . 4 1 1 A 56 56 ILE CA C 56 59.342 60.789 -1.447 1 1 670 . 4 1 1 A 56 56 ILE CB C 56 39.506 37.008 2.498 1 1 674 . 4 1 1 A 56 56 ILE N N 56 119.568 121.878 -2.310 1 1 675 . 4 1 1 A 57 57 TYR H H 57 7.251 9.046 -1.795 1 1 676 . 4 1 1 A 57 57 TYR HA H 57 4.261 4.142 0.119 1 1 683 . 4 1 1 A 57 57 TYR C C 57 174.902 176.560 -1.658 1 1 684 . 4 1 1 A 57 57 TYR CA C 57 56.201 57.891 -1.690 1 1 685 . 4 1 1 A 57 57 TYR CB C 57 37.230 38.823 -1.593 1 1 690 . 4 1 1 A 58 58 VAL H H 58 9.157 8.208 0.949 1 1 691 . 4 1 1 A 58 58 VAL HA H 58 4.251 3.917 0.334 1 1 699 . 4 1 1 A 58 58 VAL C C 58 175.812 174.958 0.854 1 1 700 . 4 1 1 A 58 58 VAL CA C 58 62.360 64.558 -2.198 1 1 701 . 4 1 1 A 58 58 VAL CB C 58 33.123 32.414 0.709 1 1 704 . 4 1 1 A 58 58 VAL N N 58 116.888 120.385 -3.497 1 1 705 . 4 1 1 A 59 59 ASP H H 59 7.990 7.489 0.501 1 1 706 . 4 1 1 A 59 59 ASP HA H 59 4.970 5.296 -0.326 1 1 709 . 4 1 1 A 59 59 ASP C C 59 172.346 174.189 -1.843 1 1 710 . 4 1 1 A 59 59 ASP CA C 59 52.601 53.431 -0.830 1 1 711 . 4 1 1 A 59 59 ASP CB C 59 42.952 44.896 -1.944 1 1 712 . 4 1 1 A 59 59 ASP N N 59 117.301 119.080 -1.779 1 1 713 . 4 1 1 A 60 60 LYS H H 60 8.991 8.790 0.201 1 1 714 . 4 1 1 A 60 60 LYS HA H 60 4.761 4.909 -0.148 1 1 723 . 4 1 1 A 60 60 LYS C C 60 173.666 174.691 -1.025 1 1 724 . 4 1 1 A 60 60 LYS CA C 60 54.718 53.719 0.999 1 1 725 . 4 1 1 A 60 60 LYS CB C 60 35.097 36.181 -1.084 1 1 729 . 4 1 1 A 60 60 LYS N N 60 118.648 117.785 0.863 1 1 730 . 4 1 1 A 61 61 LEU H H 61 8.702 8.120 0.582 1 1 731 . 4 1 1 A 61 61 LEU HA H 61 4.462 4.958 -0.496 1 1 741 . 4 1 1 A 61 61 LEU C C 61 173.630 175.284 -1.654 1 1 742 . 4 1 1 A 61 61 LEU CA C 61 54.065 53.277 0.788 1 1 743 . 4 1 1 A 61 61 LEU CB C 61 47.032 46.809 0.223 1 1 747 . 4 1 1 A 61 61 LEU N N 61 121.890 120.333 1.557 1 1 748 . 4 1 1 A 62 62 ASP H H 62 8.868 8.571 0.297 1 1 749 . 4 1 1 A 62 62 ASP HA H 62 4.841 5.187 -0.346 1 1 752 . 4 1 1 A 62 62 ASP C C 62 178.029 175.019 3.010 1 1 753 . 4 1 1 A 62 62 ASP CA C 62 53.819 52.919 0.900 1 1 754 . 4 1 1 A 62 62 ASP CB C 62 40.772 45.045 -4.273 1 1 755 . 4 1 1 A 62 62 ASP N N 62 128.697 119.793 8.904 1 1 756 . 4 1 1 A 63 63 ILE H H 63 9.261 8.381 0.880 1 1 757 . 4 1 1 A 63 63 ILE HA H 63 4.554 4.598 -0.044 1 1 767 . 4 1 1 A 63 63 ILE C C 63 175.617 176.678 -1.061 1 1 768 . 4 1 1 A 63 63 ILE CA C 63 60.736 60.426 0.310 1 1 769 . 4 1 1 A 63 63 ILE CB C 63 38.364 37.885 0.479 1 1 773 . 4 1 1 A 63 63 ILE N N 63 120.253 118.111 2.142 1 1 774 . 4 1 1 A 64 64 VAL H H 64 8.010 8.299 -0.289 1 1 775 . 4 1 1 A 64 64 VAL HA H 64 3.781 3.890 -0.109 1 1 783 . 4 1 1 A 64 64 VAL C C 64 174.878 176.118 -1.240 1 1 784 . 4 1 1 A 64 64 VAL CA C 64 65.572 65.011 0.561 1 1 785 . 4 1 1 A 64 64 VAL CB C 64 30.532 31.390 -0.858 1 1 788 . 4 1 1 A 64 64 VAL N N 64 122.413 123.138 -0.725 1 1 789 . 4 1 1 A 65 65 ASP H H 65 8.391 8.057 0.334 1 1 790 . 4 1 1 A 65 65 ASP HA H 65 4.841 4.670 0.171 1 1 793 . 4 1 1 A 65 65 ASP C C 65 174.854 175.854 -1.000 1 1 794 . 4 1 1 A 65 65 ASP CA C 65 53.483 53.280 0.203 1 1 795 . 4 1 1 A 65 65 ASP CB C 65 40.114 40.651 -0.537 1 1 796 . 4 1 1 A 65 65 ASP N N 65 119.308 119.769 -0.461 1 1 797 . 4 1 1 A 66 66 LEU H H 66 7.517 7.476 0.041 1 1 798 . 4 1 1 A 66 66 LEU HA H 66 3.962 4.180 -0.218 1 1 808 . 4 1 1 A 66 66 LEU C C 66 176.708 177.337 -0.629 1 1 809 . 4 1 1 A 66 66 LEU CA C 66 57.471 56.443 1.028 1 1 810 . 4 1 1 A 66 66 LEU CB C 66 43.322 42.786 0.536 1 1 814 . 4 1 1 A 66 66 LEU N N 66 120.009 122.105 -2.096 1 1 815 . 4 1 1 A 67 67 THR H H 67 9.329 10.144 -0.815 1 1 816 . 4 1 1 A 67 67 THR HA H 67 4.363 4.374 -0.011 1 1 821 . 4 1 1 A 67 67 THR C C 67 175.145 174.099 1.046 1 1 822 . 4 1 1 A 67 67 THR CA C 67 64.019 63.399 0.620 1 1 823 . 4 1 1 A 67 67 THR CB C 67 69.107 69.122 -0.015 1 1 825 . 4 1 1 A 67 67 THR N N 67 123.534 120.918 2.616 1 1 826 . 4 1 1 A 68 68 CYS H H 68 7.584 7.491 0.093 1 1 827 . 4 1 1 A 68 68 CYS HA H 68 4.604 4.729 -0.125 1 1 830 . 4 1 1 A 68 68 CYS C C 68 170.528 172.309 -1.781 1 1 831 . 4 1 1 A 68 68 CYS CA C 68 57.402 58.649 -1.247 1 1 832 . 4 1 1 A 68 68 CYS CB C 68 29.175 31.083 -1.908 1 1 833 . 4 1 1 A 68 68 CYS N N 68 115.015 115.928 -0.913 1 1 834 . 4 1 1 A 69 69 LEU H H 69 8.730 8.669 0.061 1 1 835 . 4 1 1 A 69 69 LEU HA H 69 5.411 5.180 0.231 1 1 845 . 4 1 1 A 69 69 LEU C C 69 176.356 175.366 0.990 1 1 846 . 4 1 1 A 69 69 LEU CA C 69 54.242 53.730 0.512 1 1 847 . 4 1 1 A 69 69 LEU CB C 69 44.885 46.289 -1.404 1 1 851 . 4 1 1 A 69 69 LEU N N 69 125.633 122.704 2.929 1 1 852 . 4 1 1 A 70 70 THR H H 70 9.197 8.555 0.642 1 1 853 . 4 1 1 A 70 70 THR HA H 70 4.702 5.358 -0.656 1 1 858 . 4 1 1 A 70 70 THR C C 70 173.582 173.335 0.247 1 1 859 . 4 1 1 A 70 70 THR CA C 70 60.384 59.425 0.959 1 1 860 . 4 1 1 A 70 70 THR CB C 70 70.870 71.840 -0.970 1 1 862 . 4 1 1 A 70 70 THR N N 70 120.391 115.993 4.398 1 1 863 . 4 1 1 A 71 71 GLU H H 71 8.965 8.749 0.216 1 1 864 . 4 1 1 A 71 71 GLU HA H 71 4.685 5.438 -0.753 1 1 869 . 4 1 1 A 71 71 GLU C C 71 175.957 174.988 0.969 1 1 870 . 4 1 1 A 71 71 GLU CA C 71 56.254 54.808 1.446 1 1 871 . 4 1 1 A 71 71 GLU CB C 71 31.396 33.926 -2.530 1 1 873 . 4 1 1 A 71 71 GLU N N 71 124.718 119.823 4.895 1 1 874 . 4 1 1 A 72 72 GLN H H 72 8.318 8.558 -0.240 1 1 875 . 4 1 1 A 72 72 GLN HA H 72 4.629 4.983 -0.354 1 1 882 . 4 1 1 A 72 72 GLN C C 72 175.254 174.888 0.366 1 1 883 . 4 1 1 A 72 72 GLN CA C 72 55.336 54.127 1.209 1 1 884 . 4 1 1 A 72 72 GLN CB C 72 30.533 31.031 -0.498 1 1 886 . 4 1 1 A 72 72 GLN N N 72 123.543 121.167 2.376 1 1 888 . 4 1 1 A 73 73 ASN H H 73 8.670 8.616 0.054 1 1 889 . 4 1 1 A 73 73 ASN HA H 73 4.688 5.008 -0.320 1 1 894 . 4 1 1 A 73 73 ASN C C 73 175.229 175.458 -0.229 1 1 895 . 4 1 1 A 73 73 ASN CA C 73 53.607 53.444 0.163 1 1 896 . 4 1 1 A 73 73 ASN CB C 73 39.169 39.281 -0.112 1 1 897 . 4 1 1 A 73 73 ASN N N 73 120.534 123.317 -2.783 1 1 899 . 4 1 1 A 74 74 SER H H 74 8.641 8.758 -0.117 1 1 900 . 4 1 1 A 74 74 SER HA H 74 4.652 4.790 -0.138 1 1 903 . 4 1 1 A 74 74 SER C C 74 175.121 174.391 0.730 1 1 904 . 4 1 1 A 74 74 SER CA C 74 58.409 56.906 1.503 1 1 905 . 4 1 1 A 74 74 SER CB C 74 64.401 64.688 -0.287 1 1 906 . 4 1 1 A 74 74 SER N N 74 117.448 118.931 -1.483 1 1 907 . 4 1 1 A 75 75 THR HA H 75 4.282 4.431 -0.149 1 1 912 . 4 1 1 A 75 75 THR C C 75 174.878 173.838 1.040 1 1 913 . 4 1 1 A 75 75 THR CA C 75 62.819 63.243 -0.424 1 1 914 . 4 1 1 A 75 75 THR CB C 75 69.061 69.952 -0.891 1 1 916 . 4 1 1 A 76 76 GLU H H 76 8.156 7.774 0.382 1 1 917 . 4 1 1 A 76 76 GLU HA H 76 4.350 4.571 -0.221 1 1 922 . 4 1 1 A 76 76 GLU C C 76 176.138 175.794 0.344 1 1 923 . 4 1 1 A 76 76 GLU CA C 76 56.202 55.340 0.862 1 1 924 . 4 1 1 A 76 76 GLU CB C 76 30.532 33.343 -2.811 1 1 926 . 4 1 1 A 76 76 GLU N N 76 122.220 120.388 1.832 1 1 927 . 4 1 1 A 77 77 LYS H H 77 8.443 8.639 -0.196 1 1 928 . 4 1 1 A 77 77 LYS HA H 77 4.221 4.257 -0.036 1 1 937 . 4 1 1 A 77 77 LYS C C 77 176.465 174.646 1.819 1 1 938 . 4 1 1 A 77 77 LYS CA C 77 56.730 57.481 -0.751 1 1 939 . 4 1 1 A 77 77 LYS CB C 77 32.301 32.287 0.014 1 1 943 . 4 1 1 A 77 77 LYS N N 77 122.162 124.185 -2.023 1 1 944 . 4 1 1 A 78 78 ASN H H 78 8.621 8.814 -0.193 1 1 945 . 4 1 1 A 78 78 ASN HA H 78 4.641 5.489 -0.848 1 1 950 . 4 1 1 A 78 78 ASN C C 78 173.485 173.798 -0.313 1 1 951 . 4 1 1 A 78 78 ASN CA C 78 53.748 51.949 1.799 1 1 952 . 4 1 1 A 78 78 ASN CB C 78 38.058 42.224 -4.166 1 1 953 . 4 1 1 A 78 78 ASN N N 78 116.583 118.357 -1.774 1 1 955 . 4 1 1 A 79 79 CYS H H 79 7.551 8.740 -1.189 1 1 956 . 4 1 1 A 79 79 CYS HA H 79 4.371 5.357 -0.986 1 1 959 . 4 1 1 A 79 79 CYS C C 79 172.515 172.843 -0.328 1 1 960 . 4 1 1 A 79 79 CYS CA C 79 57.295 56.956 0.339 1 1 961 . 4 1 1 A 79 79 CYS CB C 79 29.628 32.794 -3.166 1 1 962 . 4 1 1 A 79 79 CYS N N 79 112.640 122.235 -9.595 1 1 963 . 4 1 1 A 80 80 ALA H H 80 7.642 8.696 -1.054 1 1 964 . 4 1 1 A 80 80 ALA HA H 80 4.727 5.246 -0.519 1 1 968 . 4 1 1 A 80 80 ALA C C 80 175.314 176.263 -0.949 1 1 969 . 4 1 1 A 80 80 ALA CA C 80 51.330 50.241 1.089 1 1 970 . 4 1 1 A 80 80 ALA CB C 80 21.896 20.395 1.501 1 1 971 . 4 1 1 A 80 80 ALA N N 80 124.099 124.666 -0.567 1 1 972 . 4 1 1 A 81 81 LYS H H 81 8.459 8.691 -0.232 1 1 973 . 4 1 1 A 81 81 LYS HA H 81 5.112 4.785 0.327 1 1 982 . 4 1 1 A 81 81 LYS C C 81 174.781 174.986 -0.205 1 1 983 . 4 1 1 A 81 81 LYS CA C 81 55.283 54.661 0.622 1 1 984 . 4 1 1 A 81 81 LYS CB C 81 36.133 34.834 1.299 1 1 988 . 4 1 1 A 81 81 LYS N N 81 119.796 123.394 -3.598 1 1 989 . 4 1 1 A 82 82 PHE H H 82 8.748 8.217 0.531 1 1 990 . 4 1 1 A 82 82 PHE HA H 82 5.513 5.798 -0.285 1 1 998 . 4 1 1 A 82 82 PHE C C 82 174.357 172.765 1.592 1 1 999 . 4 1 1 A 82 82 PHE CA C 82 55.643 56.015 -0.372 1 1 1000 . 4 1 1 A 82 82 PHE CB C 82 42.089 42.593 -0.504 1 1 1006 . 4 1 1 A 82 82 PHE N N 82 119.073 119.939 -0.866 1 1 1007 . 4 1 1 A 83 83 THR H H 83 9.290 8.739 0.551 1 1 1008 . 4 1 1 A 83 83 THR HA H 83 5.032 5.020 0.012 1 1 1013 . 4 1 1 A 83 83 THR C C 83 173.472 173.786 -0.314 1 1 1014 . 4 1 1 A 83 83 THR CA C 83 62.113 61.443 0.670 1 1 1015 . 4 1 1 A 83 83 THR CB C 83 71.076 71.115 -0.039 1 1 1017 . 4 1 1 A 83 83 THR N N 83 116.845 115.482 1.363 1 1 1018 . 4 1 1 A 84 84 LEU H H 84 9.502 9.682 -0.180 1 1 1019 . 4 1 1 A 84 84 LEU HA H 84 4.691 4.849 -0.158 1 1 1029 . 4 1 1 A 84 84 LEU C C 84 174.308 176.096 -1.788 1 1 1030 . 4 1 1 A 84 84 LEU CA C 84 54.224 53.728 0.496 1 1 1031 . 4 1 1 A 84 84 LEU CB C 84 41.636 41.498 0.138 1 1 1035 . 4 1 1 A 84 84 LEU N N 84 125.923 128.027 -2.104 1 1 1036 . 4 1 1 A 85 85 VAL H H 85 8.620 8.402 0.218 1 1 1037 . 4 1 1 A 85 85 VAL HA H 85 4.151 4.402 -0.251 1 1 1045 . 4 1 1 A 85 85 VAL C C 85 174.188 175.384 -1.196 1 1 1046 . 4 1 1 A 85 85 VAL CA C 85 63.649 62.485 1.164 1 1 1047 . 4 1 1 A 85 85 VAL CB C 85 30.861 31.713 -0.852 1 1 1050 . 4 1 1 A 85 85 VAL N N 85 126.007 125.354 0.653 1 1 1051 . 4 1 1 A 86 86 LEU H H 86 8.534 8.545 -0.011 1 1 1052 . 4 1 1 A 86 86 LEU HA H 86 4.853 4.796 0.057 1 1 1062 . 4 1 1 A 86 86 LEU C C 86 174.878 176.640 -1.762 1 1 1063 . 4 1 1 A 86 86 LEU CA C 86 53.183 51.686 1.497 1 1 1064 . 4 1 1 A 86 86 LEU CB C 86 40.485 45.015 -4.530 1 1 1068 . 4 1 1 A 86 86 LEU N N 86 129.551 128.360 1.191 1 1 1069 . 4 1 1 A 87 87 PRO HA H 87 4.221 4.538 -0.317 1 1 1076 . 4 1 1 A 87 87 PRO C C 87 178.223 177.075 1.148 1 1 1077 . 4 1 1 A 87 87 PRO CA C 87 66.455 64.162 2.293 1 1 1078 . 4 1 1 A 87 87 PRO CB C 87 32.260 31.693 0.567 1 1 1081 . 4 1 1 A 88 88 LYS H H 88 8.414 8.215 0.199 1 1 1082 . 4 1 1 A 88 88 LYS HA H 88 4.548 4.371 0.177 1 1 1091 . 4 1 1 A 88 88 LYS C C 88 176.187 176.595 -0.408 1 1 1092 . 4 1 1 A 88 88 LYS CA C 88 55.071 57.006 -1.935 1 1 1093 . 4 1 1 A 88 88 LYS CB C 88 33.534 34.118 -0.584 1 1 1097 . 4 1 1 A 88 88 LYS N N 88 110.404 116.783 -6.379 1 1 1098 . 4 1 1 A 89 89 GLU H H 89 7.208 7.743 -0.535 1 1 1099 . 4 1 1 A 89 89 GLU HA H 89 4.561 4.715 -0.154 1 1 1104 . 4 1 1 A 89 89 GLU C C 89 172.527 174.303 -1.776 1 1 1105 . 4 1 1 A 89 89 GLU CA C 89 56.007 55.689 0.318 1 1 1106 . 4 1 1 A 89 89 GLU CB C 89 33.082 33.582 -0.500 1 1 1108 . 4 1 1 A 89 89 GLU N N 89 116.828 115.297 1.531 1 1 1109 . 4 1 1 A 90 90 GLU H H 90 8.321 8.693 -0.372 1 1 1110 . 4 1 1 A 90 90 GLU HA H 90 5.249 5.094 0.155 1 1 1115 . 4 1 1 A 90 90 GLU C C 90 176.296 175.862 0.434 1 1 1116 . 4 1 1 A 90 90 GLU CA C 90 54.860 55.852 -0.992 1 1 1117 . 4 1 1 A 90 90 GLU CB C 90 31.972 30.762 1.210 1 1 1119 . 4 1 1 A 90 90 GLU N N 90 119.609 124.489 -4.880 1 1 1120 . 4 1 1 A 91 91 VAL H H 91 8.972 8.896 0.076 1 1 1121 . 4 1 1 A 91 91 VAL HA H 91 4.352 4.619 -0.267 1 1 1129 . 4 1 1 A 91 91 VAL C C 91 174.284 174.746 -0.462 1 1 1130 . 4 1 1 A 91 91 VAL CA C 91 61.284 60.853 0.431 1 1 1131 . 4 1 1 A 91 91 VAL CB C 91 34.891 34.429 0.462 1 1 1134 . 4 1 1 A 91 91 VAL N N 91 123.947 124.045 -0.098 1 1 1135 . 4 1 1 A 92 92 GLN H H 92 8.241 8.190 0.051 1 1 1136 . 4 1 1 A 92 92 GLN HA H 92 4.930 4.942 -0.012 1 1 1143 . 4 1 1 A 92 92 GLN C C 92 174.115 175.143 -1.028 1 1 1144 . 4 1 1 A 92 92 GLN CA C 92 55.583 54.709 0.874 1 1 1145 . 4 1 1 A 92 92 GLN CB C 92 30.121 30.809 -0.688 1 1 1147 . 4 1 1 A 92 92 GLN N N 92 125.869 126.326 -0.457 1 1 1149 . 4 1 1 A 93 93 LEU H H 93 9.145 8.698 0.447 1 1 1150 . 4 1 1 A 93 93 LEU HA H 93 5.456 5.214 0.242 1 1 1160 . 4 1 1 A 93 93 LEU C C 93 176.256 175.520 0.736 1 1 1161 . 4 1 1 A 93 93 LEU CA C 93 53.801 53.568 0.233 1 1 1162 . 4 1 1 A 93 93 LEU CB C 93 45.913 46.403 -0.490 1 1 1166 . 4 1 1 A 93 93 LEU N N 93 123.952 124.385 -0.433 1 1 1167 . 4 1 1 A 94 94 LYS H H 94 9.255 8.056 1.199 1 1 1168 . 4 1 1 A 94 94 LYS HA H 94 5.452 4.372 1.080 1 1 1177 . 4 1 1 A 94 94 LYS C C 94 174.563 174.699 -0.136 1 1 1178 . 4 1 1 A 94 94 LYS CA C 94 54.718 55.263 -0.545 1 1 1179 . 4 1 1 A 94 94 LYS CB C 94 36.571 35.579 0.992 1 1 1183 . 4 1 1 A 94 94 LYS N N 94 124.618 120.218 4.400 1 1 1184 . 4 1 1 A 95 95 THR H H 95 8.582 7.796 0.786 1 1 1185 . 4 1 1 A 95 95 THR HA H 95 4.946 4.500 0.446 1 1 1190 . 4 1 1 A 95 95 THR C C 95 175.278 175.966 -0.688 1 1 1191 . 4 1 1 A 95 95 THR CA C 95 59.908 61.882 -1.974 1 1 1192 . 4 1 1 A 95 95 THR CB C 95 70.917 71.076 -0.159 1 1 1194 . 4 1 1 A 95 95 THR N N 95 112.788 117.299 -4.511 1 1 1195 . 4 1 1 A 96 96 GLU H H 96 9.033 7.854 1.179 1 1 1196 . 4 1 1 A 96 96 GLU HA H 96 4.321 3.899 0.422 1 1 1201 . 4 1 1 A 96 96 GLU C C 96 175.435 175.694 -0.259 1 1 1202 . 4 1 1 A 96 96 GLU CA C 96 57.595 59.024 -1.429 1 1 1203 . 4 1 1 A 96 96 GLU CB C 96 30.656 27.495 3.161 1 1 1205 . 4 1 1 A 96 96 GLU N N 96 117.745 116.300 1.445 1 1 1206 . 4 1 1 A 97 97 ASN H H 97 7.562 8.434 -0.872 1 1 1207 . 4 1 1 A 97 97 ASN HA H 97 5.074 4.902 0.172 1 1 1212 . 4 1 1 A 97 97 ASN C C 97 176.575 176.074 0.501 1 1 1213 . 4 1 1 A 97 97 ASN CA C 97 52.195 52.874 -0.679 1 1 1214 . 4 1 1 A 97 97 ASN CB C 97 40.485 39.194 1.291 1 1 1215 . 4 1 1 A 97 97 ASN N N 97 110.462 118.042 -7.580 1 1 1217 . 4 1 1 A 98 98 THR HA H 98 3.916 3.930 -0.014 1 1 1222 . 4 1 1 A 98 98 THR C C 98 176.938 176.132 0.806 1 1 1223 . 4 1 1 A 98 98 THR CA C 98 66.349 66.888 -0.539 1 1 1224 . 4 1 1 A 98 98 THR CB C 98 68.638 68.968 -0.330 1 1 1226 . 4 1 1 A 99 99 GLU H H 99 9.316 8.562 0.754 1 1 1227 . 4 1 1 A 99 99 GLU HA H 99 4.221 4.094 0.127 1 1 1232 . 4 1 1 A 99 99 GLU C C 99 179.241 179.048 0.193 1 1 1233 . 4 1 1 A 99 99 GLU CA C 99 60.754 59.586 1.168 1 1 1234 . 4 1 1 A 99 99 GLU CB C 99 28.764 29.614 -0.850 1 1 1236 . 4 1 1 A 99 99 GLU N N 99 125.868 120.073 5.795 1 1 1237 . 4 1 1 A 100 100 SER H H 100 8.739 8.113 0.626 1 1 1238 . 4 1 1 A 100 100 SER HA H 100 4.863 4.666 0.197 1 1 1241 . 4 1 1 A 100 100 SER C C 100 177.411 177.410 0.001 1 1 1242 . 4 1 1 A 100 100 SER CA C 100 61.037 61.537 -0.500 1 1 1243 . 4 1 1 A 100 100 SER CB C 100 63.879 63.203 0.676 1 1 1244 . 4 1 1 A 100 100 SER N N 100 114.755 114.707 0.048 1 1 1245 . 4 1 1 A 101 101 GLY H H 101 7.879 8.902 -1.023 1 1 1246 . 4 1 1 A 101 101 GLY HA2 H 101 4.139 3.889 0.250 1 1 1247 . 4 1 1 A 101 101 GLY HA3 H 101 4.012 4.003 0.009 1 1 1248 . 4 1 1 A 101 101 GLY C C 101 174.611 175.999 -1.388 1 1 1249 . 4 1 1 A 101 101 GLY CA C 101 48.948 47.616 1.332 1 1 1250 . 4 1 1 A 101 101 GLY N N 101 108.940 109.820 -0.880 1 1 1251 . 4 1 1 A 102 102 GLU H H 102 7.801 9.082 -1.281 1 1 1252 . 4 1 1 A 102 102 GLU HA H 102 4.171 4.115 0.056 1 1 1257 . 4 1 1 A 102 102 GLU C C 102 179.084 179.222 -0.138 1 1 1258 . 4 1 1 A 102 102 GLU CA C 102 58.601 59.377 -0.776 1 1 1259 . 4 1 1 A 102 102 GLU CB C 102 29.627 29.276 0.351 1 1 1261 . 4 1 1 A 102 102 GLU N N 102 120.720 121.331 -0.611 1 1 1262 . 4 1 1 A 103 103 GLU H H 103 7.781 8.162 -0.381 1 1 1263 . 4 1 1 A 103 103 GLU HA H 103 3.739 3.978 -0.239 1 1 1268 . 4 1 1 A 103 103 GLU C C 103 178.235 179.196 -0.961 1 1 1269 . 4 1 1 A 103 103 GLU CA C 103 60.366 59.141 1.225 1 1 1270 . 4 1 1 A 103 103 GLU CB C 103 30.491 29.292 1.199 1 1 1272 . 4 1 1 A 103 103 GLU N N 103 119.068 119.665 -0.597 1 1 1273 . 4 1 1 A 104 104 TRP H H 104 8.761 8.756 0.005 1 1 1274 . 4 1 1 A 104 104 TRP HA H 104 4.171 4.471 -0.300 1 1 1283 . 4 1 1 A 104 104 TRP C C 104 178.817 178.732 0.085 1 1 1284 . 4 1 1 A 104 104 TRP CA C 104 62.290 60.568 1.722 1 1 1285 . 4 1 1 A 104 104 TRP CB C 104 29.340 29.508 -0.168 1 1 1291 . 4 1 1 A 104 104 TRP N N 104 118.358 120.833 -2.475 1 1 1293 . 4 1 1 A 105 105 ARG H H 105 8.400 8.352 0.048 1 1 1294 . 4 1 1 A 105 105 ARG HA H 105 3.481 3.682 -0.201 1 1 1302 . 4 1 1 A 105 105 ARG C C 105 177.666 179.332 -1.666 1 1 1303 . 4 1 1 A 105 105 ARG CA C 105 60.666 59.548 1.118 1 1 1304 . 4 1 1 A 105 105 ARG CB C 105 30.162 29.971 0.191 1 1 1307 . 4 1 1 A 105 105 ARG N N 105 117.098 118.902 -1.804 1 1 1309 . 4 1 1 A 106 106 GLY H H 106 8.202 8.167 0.035 1 1 1310 . 4 1 1 A 106 106 GLY HA2 H 106 3.470 3.532 -0.062 1 1 1311 . 4 1 1 A 106 106 GLY HA3 H 106 3.382 3.546 -0.164 1 1 1312 . 4 1 1 A 106 106 GLY C C 106 176.162 175.902 0.260 1 1 1313 . 4 1 1 A 106 106 GLY CA C 106 47.554 47.181 0.373 1 1 1314 . 4 1 1 A 106 106 GLY N N 106 104.212 106.657 -2.445 1 1 1315 . 4 1 1 A 107 107 PHE H H 107 8.491 8.936 -0.445 1 1 1316 . 4 1 1 A 107 107 PHE HA H 107 3.722 4.416 -0.694 1 1 1324 . 4 1 1 A 107 107 PHE C C 107 177.265 178.072 -0.807 1 1 1325 . 4 1 1 A 107 107 PHE CA C 107 64.284 59.513 4.771 1 1 1326 . 4 1 1 A 107 107 PHE CB C 107 39.209 38.127 1.082 1 1 1332 . 4 1 1 A 107 107 PHE N N 107 122.710 120.553 2.157 1 1 1333 . 4 1 1 A 108 108 ILE H H 108 8.674 9.009 -0.335 1 1 1334 . 4 1 1 A 108 108 ILE HA H 108 3.523 3.720 -0.197 1 1 1344 . 4 1 1 A 108 108 ILE C C 108 178.623 177.977 0.646 1 1 1345 . 4 1 1 A 108 108 ILE CA C 108 66.384 64.925 1.459 1 1 1346 . 4 1 1 A 108 108 ILE CB C 108 37.852 37.855 -0.003 1 1 1350 . 4 1 1 A 108 108 ILE N N 108 117.395 120.264 -2.869 1 1 1351 . 4 1 1 A 109 109 LEU H H 109 8.378 8.138 0.240 1 1 1352 . 4 1 1 A 109 109 LEU HA H 109 4.032 4.288 -0.256 1 1 1362 . 4 1 1 A 109 109 LEU C C 109 178.635 179.510 -0.875 1 1 1363 . 4 1 1 A 109 109 LEU CA C 109 57.878 57.747 0.131 1 1 1364 . 4 1 1 A 109 109 LEU CB C 109 40.854 41.614 -0.760 1 1 1368 . 4 1 1 A 109 109 LEU N N 109 118.573 119.607 -1.034 1 1 1369 . 4 1 1 A 110 110 THR H H 110 7.600 7.618 -0.018 1 1 1370 . 4 1 1 A 110 110 THR HA H 110 4.110 4.474 -0.364 1 1 1375 . 4 1 1 A 110 110 THR C C 110 177.265 175.945 1.320 1 1 1376 . 4 1 1 A 110 110 THR CA C 110 68.325 66.020 2.305 1 1 1377 . 4 1 1 A 110 110 THR CB C 110 68.230 68.851 -0.621 1 1 1379 . 4 1 1 A 110 110 THR N N 110 115.926 115.013 0.913 1 1 1380 . 4 1 1 A 111 111 VAL H H 111 7.490 7.828 -0.338 1 1 1381 . 4 1 1 A 111 111 VAL HA H 111 3.912 4.370 -0.458 1 1 1389 . 4 1 1 A 111 111 VAL C C 111 174.793 176.680 -1.887 1 1 1390 . 4 1 1 A 111 111 VAL CA C 111 64.601 61.206 3.395 1 1 1391 . 4 1 1 A 111 111 VAL CB C 111 32.007 31.548 0.459 1 1 1394 . 4 1 1 A 111 111 VAL N N 111 109.123 115.209 -6.086 1 1 1395 . 4 1 1 A 112 112 THR H H 112 7.410 7.608 -0.198 1 1 1396 . 4 1 1 A 112 112 THR HA H 112 4.494 4.584 -0.090 1 1 1401 . 4 1 1 A 112 112 THR C C 112 177.265 175.503 1.762 1 1 1402 . 4 1 1 A 112 112 THR CA C 112 62.784 62.132 0.652 1 1 1403 . 4 1 1 A 112 112 THR CB C 112 69.290 70.477 -1.187 1 1 1405 . 4 1 1 A 112 112 THR N N 112 107.046 112.295 -5.249 1 1 1406 . 4 1 1 A 113 113 GLU H H 113 8.541 8.456 0.085 1 1 1407 . 4 1 1 A 113 113 GLU HA H 113 4.280 4.302 -0.022 1 1 1412 . 4 1 1 A 113 113 GLU C C 113 176.745 175.835 0.910 1 1 1413 . 4 1 1 A 113 113 GLU CA C 113 57.048 56.476 0.572 1 1 1414 . 4 1 1 A 113 113 GLU CB C 113 29.422 30.344 -0.922 1 1 1416 . 4 1 1 A 113 113 GLU N N 113 120.888 119.958 0.930 1 1 1417 . 4 1 1 A 114 114 LEU H H 114 7.561 7.516 0.045 1 1 1418 . 4 1 1 A 114 114 LEU HA H 114 4.042 3.779 0.263 1 1 1428 . 4 1 1 A 114 114 LEU C C 114 175.569 175.473 0.096 1 1 1429 . 4 1 1 A 114 114 LEU CA C 114 55.213 56.111 -0.898 1 1 1430 . 4 1 1 A 114 114 LEU CB C 114 38.182 40.348 -2.166 1 1 1434 . 4 1 1 A 114 114 LEU N N 114 114.453 119.324 -4.871 1 1 1435 . 4 1 1 A 115 115 SER H H 115 7.113 7.628 -0.515 1 1 1436 . 4 1 1 A 115 115 SER HA H 115 4.315 4.614 -0.299 1 1 1439 . 4 1 1 A 115 115 SER C C 115 173.521 172.100 1.421 1 1 1440 . 4 1 1 A 115 115 SER CA C 115 57.454 55.927 1.527 1 1 1441 . 4 1 1 A 115 115 SER CB C 115 64.505 64.595 -0.090 1 1 1442 . 4 1 1 A 115 115 SER N N 115 110.010 113.359 -3.349 1 1 1443 . 4 1 1 A 116 116 VAL H H 116 8.635 8.377 0.258 1 1 1444 . 4 1 1 A 116 116 VAL HA H 116 4.210 4.378 -0.168 1 1 1452 . 4 1 1 A 116 116 VAL C C 116 175.024 173.987 1.037 1 1 1453 . 4 1 1 A 116 116 VAL CA C 116 60.948 58.659 2.289 1 1 1454 . 4 1 1 A 116 116 VAL CB C 116 32.177 35.051 -2.874 1 1 1457 . 4 1 1 A 116 116 VAL N N 116 129.442 120.575 8.867 1 1 1458 . 4 1 1 A 117 117 PRO HA H 117 4.381 4.761 -0.380 1 1 1465 . 4 1 1 A 117 117 PRO C C 117 176.478 176.992 -0.514 1 1 1466 . 4 1 1 A 117 117 PRO CA C 117 62.678 62.465 0.213 1 1 1467 . 4 1 1 A 117 117 PRO CB C 117 31.931 31.921 0.010 1 1 1470 . 4 1 1 A 118 118 GLN H H 118 8.576 8.814 -0.238 1 1 1471 . 4 1 1 A 118 118 GLN HA H 118 4.282 4.249 0.033 1 1 1478 . 4 1 1 A 118 118 GLN C C 118 176.575 176.729 -0.154 1 1 1479 . 4 1 1 A 118 118 GLN CA C 118 55.866 56.467 -0.601 1 1 1480 . 4 1 1 A 118 118 GLN CB C 118 29.704 29.297 0.407 1 1 1482 . 4 1 1 A 118 118 GLN N N 118 118.498 120.674 -2.176 1 1 1484 . 4 1 1 A 119 119 ASN H H 119 8.444 7.766 0.678 1 1 1485 . 4 1 1 A 119 119 ASN HA H 119 4.727 4.854 -0.127 1 1 1490 . 4 1 1 A 119 119 ASN C C 119 174.842 173.701 1.141 1 1 1491 . 4 1 1 A 119 119 ASN CA C 119 52.812 52.644 0.168 1 1 1492 . 4 1 1 A 119 119 ASN CB C 119 37.071 36.675 0.396 1 1 1493 . 4 1 1 A 119 119 ASN N N 119 117.223 116.609 0.614 1 1 1495 . 4 1 1 A 120 120 VAL H H 120 7.182 7.749 -0.567 1 1 1496 . 4 1 1 A 120 120 VAL HA H 120 4.381 5.072 -0.691 1 1 1504 . 4 1 1 A 120 120 VAL C C 120 175.484 175.598 -0.114 1 1 1505 . 4 1 1 A 120 120 VAL CA C 120 60.048 59.202 0.846 1 1 1506 . 4 1 1 A 120 120 VAL CB C 120 34.028 35.117 -1.089 1 1 1509 . 4 1 1 A 120 120 VAL N N 120 114.038 117.834 -3.796 1 1 1510 . 4 1 1 A 121 121 SER H H 121 9.313 9.067 0.246 1 1 1511 . 4 1 1 A 121 121 SER HA H 121 4.552 4.532 0.020 1 1 1514 . 4 1 1 A 121 121 SER C C 121 173.096 174.531 -1.435 1 1 1515 . 4 1 1 A 121 121 SER CA C 121 57.119 58.686 -1.567 1 1 1516 . 4 1 1 A 121 121 SER CB C 121 62.528 63.992 -1.464 1 1 1517 . 4 1 1 A 121 121 SER N N 121 122.117 116.626 5.491 1 1 1518 . 4 1 1 A 122 122 LEU H H 122 7.470 7.009 0.461 1 1 1519 . 4 1 1 A 122 122 LEU HA H 122 4.618 4.280 0.338 1 1 1529 . 4 1 1 A 122 122 LEU C C 122 176.526 176.636 -0.110 1 1 1530 . 4 1 1 A 122 122 LEU CA C 122 52.795 55.198 -2.403 1 1 1531 . 4 1 1 A 122 122 LEU CB C 122 45.790 42.410 3.380 1 1 1535 . 4 1 1 A 122 122 LEU N N 122 122.878 123.942 -1.064 1 1 1536 . 4 1 1 A 123 123 LEU H H 123 8.765 8.418 0.347 1 1 1537 . 4 1 1 A 123 123 LEU HA H 123 4.574 4.751 -0.177 1 1 1547 . 4 1 1 A 123 123 LEU C C 123 176.769 177.136 -0.367 1 1 1548 . 4 1 1 A 123 123 LEU CA C 123 53.748 52.472 1.276 1 1 1549 . 4 1 1 A 123 123 LEU CB C 123 40.649 43.233 -2.584 1 1 1553 . 4 1 1 A 123 123 LEU N N 123 122.054 122.215 -0.161 1 1 1554 . 4 1 1 A 124 124 PRO HA H 124 4.232 4.493 -0.261 1 1 1561 . 4 1 1 A 124 124 PRO CA C 124 66.281 64.278 2.003 1 1 1562 . 4 1 1 A 124 124 PRO CB C 124 31.945 31.786 0.159 1 1 1565 . 4 1 1 A 125 125 GLY HA2 H 125 3.901 3.880 0.021 1 1 1566 . 4 1 1 A 125 125 GLY HA3 H 125 3.901 3.887 0.014 1 1 1567 . 4 1 1 A 125 125 GLY C C 125 176.696 176.146 0.550 1 1 1568 . 4 1 1 A 125 125 GLY CA C 125 46.724 46.491 0.233 1 1 1569 . 4 1 1 A 126 126 GLN H H 126 7.495 7.872 -0.377 1 1 1570 . 4 1 1 A 126 126 GLN HA H 126 4.261 4.204 0.057 1 1 1577 . 4 1 1 A 126 126 GLN C C 126 178.235 177.929 0.306 1 1 1578 . 4 1 1 A 126 126 GLN CA C 126 57.807 58.809 -1.002 1 1 1579 . 4 1 1 A 126 126 GLN CB C 126 30.039 28.843 1.196 1 1 1581 . 4 1 1 A 126 126 GLN N N 126 120.404 121.176 -0.772 1 1 1583 . 4 1 1 A 127 127 VAL H H 127 7.839 7.937 -0.098 1 1 1584 . 4 1 1 A 127 127 VAL HA H 127 3.360 3.503 -0.143 1 1 1592 . 4 1 1 A 127 127 VAL C C 127 178.441 177.846 0.595 1 1 1593 . 4 1 1 A 127 127 VAL CA C 127 67.231 66.130 1.101 1 1 1594 . 4 1 1 A 127 127 VAL CB C 127 31.948 31.467 0.481 1 1 1597 . 4 1 1 A 127 127 VAL N N 127 121.180 120.039 1.141 1 1 1598 . 4 1 1 A 128 128 ILE H H 128 7.725 8.159 -0.434 1 1 1599 . 4 1 1 A 128 128 ILE HA H 128 3.820 3.602 0.218 1 1 1609 . 4 1 1 A 128 128 ILE C C 128 178.599 177.769 0.830 1 1 1610 . 4 1 1 A 128 128 ILE CA C 128 64.978 65.841 -0.863 1 1 1611 . 4 1 1 A 128 128 ILE CB C 128 37.976 37.707 0.269 1 1 1615 . 4 1 1 A 128 128 ILE N N 128 119.369 120.508 -1.139 1 1 1616 . 4 1 1 A 129 129 LYS H H 129 7.204 7.757 -0.553 1 1 1617 . 4 1 1 A 129 129 LYS HA H 129 4.241 3.925 0.316 1 1 1626 . 4 1 1 A 129 129 LYS C C 129 178.902 179.103 -0.201 1 1 1627 . 4 1 1 A 129 129 LYS CA C 129 58.690 59.443 -0.753 1 1 1628 . 4 1 1 A 129 129 LYS CB C 129 31.725 32.538 -0.813 1 1 1632 . 4 1 1 A 129 129 LYS N N 129 119.356 118.921 0.435 1 1 1633 . 4 1 1 A 130 130 LEU H H 130 7.750 7.944 -0.194 1 1 1634 . 4 1 1 A 130 130 LEU HA H 130 3.649 3.444 0.205 1 1 1644 . 4 1 1 A 130 130 LEU C C 130 178.756 179.100 -0.344 1 1 1645 . 4 1 1 A 130 130 LEU CA C 130 57.913 57.417 0.496 1 1 1646 . 4 1 1 A 130 130 LEU CB C 130 40.197 41.266 -1.069 1 1 1650 . 4 1 1 A 130 130 LEU N N 130 118.271 119.035 -0.764 1 1 1651 . 4 1 1 A 131 131 HIS H H 131 7.732 7.782 -0.050 1 1 1652 . 4 1 1 A 131 131 HIS HA H 131 3.918 4.177 -0.259 1 1 1657 . 4 1 1 A 131 131 HIS C C 131 178.392 177.849 0.543 1 1 1658 . 4 1 1 A 131 131 HIS CA C 131 61.019 59.486 1.533 1 1 1659 . 4 1 1 A 131 131 HIS CB C 131 29.951 29.932 0.019 1 1 1662 . 4 1 1 A 131 131 HIS N N 131 117.308 117.307 0.001 1 1 1663 . 4 1 1 A 132 132 GLU H H 132 8.030 9.628 -1.598 1 1 1664 . 4 1 1 A 132 132 GLU HA H 132 4.097 3.898 0.199 1 1 1669 . 4 1 1 A 132 132 GLU C C 132 179.907 179.390 0.517 1 1 1670 . 4 1 1 A 132 132 GLU CA C 132 59.660 59.437 0.223 1 1 1671 . 4 1 1 A 132 132 GLU CB C 132 29.627 29.285 0.342 1 1 1673 . 4 1 1 A 132 132 GLU N N 132 121.443 119.140 2.303 1 1 1674 . 4 1 1 A 133 133 VAL H H 133 8.250 8.945 -0.695 1 1 1675 . 4 1 1 A 133 133 VAL HA H 133 3.352 3.311 0.041 1 1 1683 . 4 1 1 A 133 133 VAL C C 133 176.575 177.842 -1.267 1 1 1684 . 4 1 1 A 133 133 VAL CA C 133 66.367 66.028 0.339 1 1 1685 . 4 1 1 A 133 133 VAL CB C 133 31.203 30.919 0.284 1 1 1688 . 4 1 1 A 133 133 VAL N N 133 121.281 120.280 1.001 1 1 1689 . 4 1 1 A 134 134 LEU H H 134 8.259 7.804 0.455 1 1 1690 . 4 1 1 A 134 134 LEU HA H 134 3.645 3.795 -0.150 1 1 1700 . 4 1 1 A 134 134 LEU C C 134 177.980 178.312 -0.332 1 1 1701 . 4 1 1 A 134 134 LEU CA C 134 58.154 58.469 -0.315 1 1 1702 . 4 1 1 A 134 134 LEU CB C 134 40.320 41.956 -1.636 1 1 1706 . 4 1 1 A 134 134 LEU N N 134 120.134 120.230 -0.096 1 1 1707 . 4 1 1 A 135 135 GLU H H 135 7.611 8.419 -0.808 1 1 1708 . 4 1 1 A 135 135 GLU HA H 135 3.972 3.950 0.022 1 1 1713 . 4 1 1 A 135 135 GLU C C 135 179.834 179.507 0.327 1 1 1714 . 4 1 1 A 135 135 GLU CA C 135 59.325 59.601 -0.276 1 1 1715 . 4 1 1 A 135 135 GLU CB C 135 29.134 29.266 -0.132 1 1 1717 . 4 1 1 A 135 135 GLU N N 135 116.026 117.742 -1.716 1 1 1718 . 4 1 1 A 136 136 ARG H H 136 7.789 8.147 -0.358 1 1 1719 . 4 1 1 A 136 136 ARG HA H 136 4.140 4.135 0.005 1 1 1726 . 4 1 1 A 136 136 ARG C C 136 179.083 179.397 -0.314 1 1 1727 . 4 1 1 A 136 136 ARG CA C 136 59.131 59.557 -0.426 1 1 1728 . 4 1 1 A 136 136 ARG CB C 136 30.368 30.373 -0.005 1 1 1731 . 4 1 1 A 136 136 ARG N N 136 119.681 120.494 -0.813 1 1 1732 . 4 1 1 A 137 137 GLU H H 137 9.238 8.377 0.861 1 1 1733 . 4 1 1 A 137 137 GLU HA H 137 4.637 4.177 0.460 1 1 1738 . 4 1 1 A 137 137 GLU C C 137 178.817 178.931 -0.114 1 1 1739 . 4 1 1 A 137 137 GLU CA C 137 58.036 59.251 -1.215 1 1 1740 . 4 1 1 A 137 137 GLU CB C 137 28.147 28.535 -0.388 1 1 1742 . 4 1 1 A 137 137 GLU N N 137 124.333 118.531 5.802 1 1 1743 . 4 1 1 A 138 138 LYS H H 138 8.788 8.295 0.493 1 1 1744 . 4 1 1 A 138 138 LYS HA H 138 3.899 4.055 -0.156 1 1 1753 . 4 1 1 A 138 138 LYS C C 138 179.944 178.735 1.209 1 1 1754 . 4 1 1 A 138 138 LYS CA C 138 60.754 59.669 1.085 1 1 1755 . 4 1 1 A 138 138 LYS CB C 138 32.789 32.355 0.434 1 1 1759 . 4 1 1 A 138 138 LYS N N 138 119.622 119.757 -0.135 1 1 1760 . 4 1 1 A 139 139 LYS H H 139 7.313 7.759 -0.446 1 1 1761 . 4 1 1 A 139 139 LYS HA H 139 4.070 3.998 0.072 1 1 1770 . 4 1 1 A 139 139 LYS C C 139 178.235 178.918 -0.683 1 1 1771 . 4 1 1 A 139 139 LYS CA C 139 59.166 59.725 -0.559 1 1 1772 . 4 1 1 A 139 139 LYS CB C 139 32.424 32.202 0.222 1 1 1776 . 4 1 1 A 139 139 LYS N N 139 117.326 119.623 -2.297 1 1 1777 . 4 1 1 A 140 140 ARG H H 140 8.344 8.231 0.113 1 1 1778 . 4 1 1 A 140 140 ARG HA H 140 4.080 3.930 0.150 1 1 1786 . 4 1 1 A 140 140 ARG C C 140 179.531 179.037 0.494 1 1 1787 . 4 1 1 A 140 140 ARG CA C 140 59.184 59.920 -0.736 1 1 1788 . 4 1 1 A 140 140 ARG CB C 140 31.190 29.963 1.227 1 1 1791 . 4 1 1 A 140 140 ARG N N 140 121.404 119.370 2.034 1 1 1793 . 4 1 1 A 141 141 ARG H H 141 8.171 8.122 0.049 1 1 1794 . 4 1 1 A 141 141 ARG HA H 141 4.034 3.965 0.069 1 1 1802 . 4 1 1 A 141 141 ARG C C 141 178.671 178.786 -0.115 1 1 1803 . 4 1 1 A 141 141 ARG CA C 141 58.337 59.216 -0.879 1 1 1804 . 4 1 1 A 141 141 ARG CB C 141 30.327 30.070 0.257 1 1 1807 . 4 1 1 A 141 141 ARG N N 141 115.667 119.532 -3.865 1 1 1809 . 4 1 1 A 142 142 ILE H H 142 7.521 8.120 -0.599 1 1 1810 . 4 1 1 A 142 142 ILE HA H 142 4.074 3.690 0.384 1 1 1820 . 4 1 1 A 142 142 ILE C C 142 177.787 177.902 -0.115 1 1 1821 . 4 1 1 A 142 142 ILE CA C 142 63.178 64.898 -1.720 1 1 1822 . 4 1 1 A 142 142 ILE CB C 142 38.346 37.852 0.494 1 1 1826 . 4 1 1 A 142 142 ILE N N 142 118.031 121.181 -3.150 1 1 1827 . 4 1 1 A 143 143 GLU H H 143 8.041 8.386 -0.345 1 1 1828 . 4 1 1 A 143 143 GLU HA H 143 4.251 4.021 0.230 1 1 1833 . 4 1 1 A 143 143 GLU C C 143 177.217 179.139 -1.922 1 1 1834 . 4 1 1 A 143 143 GLU CA C 143 57.595 59.672 -2.077 1 1 1835 . 4 1 1 A 143 143 GLU CB C 143 29.998 29.534 0.464 1 1 1837 . 4 1 1 A 143 143 GLU N N 143 120.963 120.123 0.840 1 1 1838 . 4 1 1 A 144 144 SER H H 144 8.041 7.967 0.074 1 1 1839 . 4 1 1 A 144 144 SER HA H 144 4.538 4.177 0.361 1 1 1842 . 4 1 1 A 144 144 SER C C 144 174.721 174.614 0.107 1 1 1843 . 4 1 1 A 144 144 SER CA C 144 58.801 62.124 -3.323 1 1 1844 . 4 1 1 A 144 144 SER CB C 144 64.126 63.484 0.642 1 1 1845 . 4 1 1 A 144 144 SER N N 144 114.646 116.533 -1.887 1 1 1846 . 4 1 1 A 145 145 GLY H H 145 7.982 8.200 -0.218 1 1 1847 . 4 1 1 A 145 145 GLY HA2 H 145 4.102 4.054 0.048 1 1 1848 . 4 1 1 A 145 145 GLY HA3 H 145 4.231 4.054 0.177 1 1 1849 . 4 1 1 A 145 145 GLY C C 145 171.800 171.366 0.434 1 1 1850 . 4 1 1 A 145 145 GLY CA C 145 44.854 44.921 -0.067 1 1 1851 . 4 1 1 A 145 145 GLY N N 145 110.299 104.632 5.667 1 1 1852 . 4 1 1 A 146 146 PRO HA H 146 4.510 4.610 -0.100 1 1 1859 . 4 1 1 A 146 146 PRO C C 146 177.496 175.089 2.407 1 1 1860 . 4 1 1 A 146 146 PRO CA C 146 63.313 62.524 0.789 1 1 1861 . 4 1 1 A 146 146 PRO CB C 146 32.177 33.142 -0.965 1 1 1864 . 4 1 1 A 147 147 SER H H 147 8.530 8.445 0.085 1 1 1865 . 4 1 1 A 147 147 SER C C 147 174.721 174.026 0.695 1 1 1866 . 4 1 1 A 147 147 SER CA C 147 58.390 57.500 0.890 1 1 1867 . 4 1 1 A 147 147 SER CB C 147 63.803 65.590 -1.787 1 1 1868 . 4 1 1 A 147 147 SER N N 147 116.436 118.155 -1.719 1 1 1869 . 4 1 1 A 148 148 SER H H 148 8.348 8.874 -0.526 1 1 1870 . 4 1 1 A 148 148 SER C C 148 173.957 175.289 -1.332 1 1 1871 . 4 1 1 A 148 148 SER CA C 148 58.372 60.155 -1.783 1 1 1872 . 4 1 1 A 148 148 SER CB C 148 64.008 64.020 -0.012 1 1 1 . 5 1 1 A 8 8 GLN HA H 8 4.221 4.913 -0.692 1 1 8 . 5 1 1 A 8 8 GLN CA C 8 56.851 54.816 2.035 1 1 9 . 5 1 1 A 8 8 GLN CB C 8 28.887 29.932 -1.045 1 1 12 . 5 1 1 A 9 9 GLU H H 9 8.480 8.918 -0.438 1 1 13 . 5 1 1 A 9 9 GLU HA H 9 4.166 5.084 -0.918 1 1 18 . 5 1 1 A 9 9 GLU CA C 9 58.333 54.947 3.386 1 1 19 . 5 1 1 A 9 9 GLU CB C 9 29.545 33.547 -4.002 1 1 21 . 5 1 1 A 9 9 GLU N N 9 121.149 122.606 -1.457 1 1 22 . 5 1 1 A 10 10 ARG H H 10 8.336 8.625 -0.289 1 1 23 . 5 1 1 A 10 10 ARG HA H 10 4.131 4.776 -0.645 1 1 30 . 5 1 1 A 10 10 ARG C C 10 177.350 175.438 1.912 1 1 31 . 5 1 1 A 10 10 ARG CA C 10 57.731 54.710 3.021 1 1 32 . 5 1 1 A 10 10 ARG CB C 10 30.061 31.095 -1.034 1 1 35 . 5 1 1 A 10 10 ARG N N 10 120.177 122.588 -2.411 1 1 36 . 5 1 1 A 11 11 LEU H H 11 7.741 8.354 -0.613 1 1 37 . 5 1 1 A 11 11 LEU HA H 11 4.219 4.245 -0.026 1 1 44 . 5 1 1 A 11 11 LEU CA C 11 56.781 55.512 1.269 1 1 45 . 5 1 1 A 11 11 LEU CB C 11 41.875 42.373 -0.498 1 1 49 . 5 1 1 A 11 11 LEU N N 11 120.410 125.468 -5.058 1 1 50 . 5 1 1 A 12 12 LYS H H 12 7.816 8.544 -0.728 1 1 51 . 5 1 1 A 12 12 LYS HA H 12 4.091 4.657 -0.566 1 1 60 . 5 1 1 A 12 12 LYS CA C 12 58.234 54.954 3.280 1 1 61 . 5 1 1 A 12 12 LYS CB C 12 32.530 33.508 -0.978 1 1 65 . 5 1 1 A 12 12 LYS N N 12 119.365 122.907 -3.542 1 1 66 . 5 1 1 A 13 13 ILE H H 13 7.851 8.747 -0.896 1 1 67 . 5 1 1 A 13 13 ILE HA H 13 3.951 4.586 -0.635 1 1 77 . 5 1 1 A 13 13 ILE C C 13 176.914 174.874 2.040 1 1 78 . 5 1 1 A 13 13 ILE CA C 13 62.713 60.938 1.775 1 1 79 . 5 1 1 A 13 13 ILE CB C 13 38.264 38.186 0.078 1 1 83 . 5 1 1 A 14 14 THR H H 14 7.750 8.770 -1.020 1 1 84 . 5 1 1 A 14 14 THR HA H 14 4.021 4.627 -0.606 1 1 88 . 5 1 1 A 14 14 THR C C 14 174.818 174.357 0.461 1 1 89 . 5 1 1 A 14 14 THR CA C 14 63.172 61.128 2.044 1 1 90 . 5 1 1 A 14 14 THR CB C 14 68.985 71.434 -2.449 1 1 92 . 5 1 1 A 14 14 THR N N 14 110.999 120.954 -9.955 1 1 93 . 5 1 1 A 15 15 ALA H H 15 7.922 8.582 -0.660 1 1 94 . 5 1 1 A 15 15 ALA HA H 15 4.141 3.848 0.293 1 1 98 . 5 1 1 A 15 15 ALA C C 15 177.593 176.327 1.266 1 1 99 . 5 1 1 A 15 15 ALA CA C 15 53.007 54.865 -1.858 1 1 100 . 5 1 1 A 15 15 ALA CB C 15 18.747 17.889 0.858 1 1 101 . 5 1 1 A 15 15 ALA N N 15 122.429 125.683 -3.254 1 1 102 . 5 1 1 A 16 16 LEU H H 16 7.442 8.126 -0.684 1 1 103 . 5 1 1 A 16 16 LEU HA H 16 4.653 4.729 -0.076 1 1 112 . 5 1 1 A 16 16 LEU C C 16 173.182 174.499 -1.317 1 1 113 . 5 1 1 A 16 16 LEU CA C 16 51.524 50.949 0.575 1 1 114 . 5 1 1 A 16 16 LEU CB C 16 45.831 45.304 0.527 1 1 118 . 5 1 1 A 16 16 LEU N N 16 120.226 118.176 2.050 1 1 119 . 5 1 1 A 17 17 PRO HA H 17 4.140 4.660 -0.520 1 1 126 . 5 1 1 A 17 17 PRO C C 17 174.296 176.203 -1.907 1 1 127 . 5 1 1 A 17 17 PRO CA C 17 62.007 62.179 -0.172 1 1 128 . 5 1 1 A 17 17 PRO CB C 17 32.013 31.595 0.418 1 1 131 . 5 1 1 A 18 18 LEU H H 18 8.071 8.198 -0.127 1 1 132 . 5 1 1 A 18 18 LEU HA H 18 4.097 3.977 0.120 1 1 142 . 5 1 1 A 18 18 LEU C C 18 176.974 175.516 1.458 1 1 143 . 5 1 1 A 18 18 LEU CA C 18 55.043 55.634 -0.591 1 1 144 . 5 1 1 A 18 18 LEU CB C 18 42.376 42.346 0.030 1 1 148 . 5 1 1 A 18 18 LEU N N 18 119.963 123.580 -3.617 1 1 149 . 5 1 1 A 19 19 TYR H H 19 9.108 8.729 0.379 1 1 150 . 5 1 1 A 19 19 TYR HA H 19 5.121 4.603 0.518 1 1 157 . 5 1 1 A 19 19 TYR C C 19 174.515 175.117 -0.602 1 1 158 . 5 1 1 A 19 19 TYR CA C 19 55.160 58.866 -3.706 1 1 159 . 5 1 1 A 19 19 TYR CB C 19 39.292 40.502 -1.210 1 1 164 . 5 1 1 A 19 19 TYR N N 19 127.955 124.135 3.820 1 1 165 . 5 1 1 A 20 20 PHE H H 20 7.560 6.941 0.619 1 1 166 . 5 1 1 A 20 20 PHE HA H 20 4.281 4.577 -0.296 1 1 174 . 5 1 1 A 20 20 PHE C C 20 171.170 172.963 -1.793 1 1 175 . 5 1 1 A 20 20 PHE CA C 20 57.031 57.903 -0.872 1 1 176 . 5 1 1 A 20 20 PHE CB C 20 40.937 41.770 -0.833 1 1 182 . 5 1 1 A 20 20 PHE N N 20 115.328 117.268 -1.940 1 1 183 . 5 1 1 A 21 21 GLU H H 21 5.556 8.268 -2.712 1 1 184 . 5 1 1 A 21 21 GLU HA H 21 5.191 4.765 0.426 1 1 189 . 5 1 1 A 21 21 GLU C C 21 173.024 174.463 -1.439 1 1 190 . 5 1 1 A 21 21 GLU CA C 21 53.025 53.929 -0.904 1 1 191 . 5 1 1 A 21 21 GLU CB C 21 31.760 32.745 -0.985 1 1 193 . 5 1 1 A 21 21 GLU N N 21 118.643 122.446 -3.803 1 1 194 . 5 1 1 A 22 22 GLY H H 22 7.721 7.724 -0.003 1 1 195 . 5 1 1 A 22 22 GLY HA2 H 22 4.024 4.076 -0.052 1 1 196 . 5 1 1 A 22 22 GLY HA3 H 22 3.107 4.081 -0.974 1 1 197 . 5 1 1 A 22 22 GLY C C 22 171.994 171.711 0.283 1 1 198 . 5 1 1 A 22 22 GLY CA C 22 45.013 45.282 -0.269 1 1 199 . 5 1 1 A 22 22 GLY N N 22 106.155 106.914 -0.759 1 1 200 . 5 1 1 A 23 23 PHE H H 23 8.881 8.832 0.049 1 1 201 . 5 1 1 A 23 23 PHE HA H 23 5.303 4.566 0.737 1 1 209 . 5 1 1 A 23 23 PHE C C 23 176.926 175.030 1.896 1 1 210 . 5 1 1 A 23 23 PHE CA C 23 60.013 58.775 1.238 1 1 211 . 5 1 1 A 23 23 PHE CB C 23 40.937 38.816 2.121 1 1 217 . 5 1 1 A 23 23 PHE N N 23 119.442 120.735 -1.293 1 1 218 . 5 1 1 A 24 24 LEU H H 24 9.072 8.587 0.485 1 1 219 . 5 1 1 A 24 24 LEU HA H 24 4.562 4.964 -0.402 1 1 229 . 5 1 1 A 24 24 LEU C C 24 174.406 174.532 -0.126 1 1 230 . 5 1 1 A 24 24 LEU CA C 24 54.437 53.886 0.551 1 1 231 . 5 1 1 A 24 24 LEU CB C 24 48.381 44.440 3.941 1 1 235 . 5 1 1 A 24 24 LEU N N 24 122.488 126.052 -3.564 1 1 236 . 5 1 1 A 25 25 LEU H H 25 8.120 8.398 -0.278 1 1 237 . 5 1 1 A 25 25 LEU HA H 25 5.480 5.619 -0.139 1 1 247 . 5 1 1 A 25 25 LEU C C 25 176.175 176.070 0.105 1 1 248 . 5 1 1 A 25 25 LEU CA C 25 54.242 53.621 0.621 1 1 249 . 5 1 1 A 25 25 LEU CB C 25 42.576 42.786 -0.210 1 1 253 . 5 1 1 A 25 25 LEU N N 25 120.790 126.383 -5.593 1 1 254 . 5 1 1 A 26 26 ILE H H 26 9.110 9.201 -0.091 1 1 255 . 5 1 1 A 26 26 ILE HA H 26 5.232 4.817 0.415 1 1 265 . 5 1 1 A 26 26 ILE C C 26 174.757 174.969 -0.212 1 1 266 . 5 1 1 A 26 26 ILE CA C 26 57.613 59.967 -2.354 1 1 267 . 5 1 1 A 26 26 ILE CB C 26 41.343 40.210 1.133 1 1 271 . 5 1 1 A 26 26 ILE N N 26 120.679 125.491 -4.812 1 1 272 . 5 1 1 A 27 27 LYS H H 27 9.150 8.467 0.683 1 1 273 . 5 1 1 A 27 27 LYS HA H 27 4.425 4.854 -0.429 1 1 282 . 5 1 1 A 27 27 LYS C C 27 175.557 175.567 -0.010 1 1 283 . 5 1 1 A 27 27 LYS CA C 27 56.095 54.738 1.357 1 1 284 . 5 1 1 A 27 27 LYS CB C 27 35.056 33.669 1.387 1 1 288 . 5 1 1 A 27 27 LYS N N 27 127.778 127.365 0.413 1 1 289 . 5 1 1 A 28 28 ARG H H 28 5.868 8.009 -2.141 1 1 290 . 5 1 1 A 28 28 ARG HA H 28 4.429 4.152 0.277 1 1 298 . 5 1 1 A 28 28 ARG C C 28 176.078 177.373 -1.295 1 1 299 . 5 1 1 A 28 28 ARG CA C 28 54.542 55.156 -0.614 1 1 300 . 5 1 1 A 28 28 ARG CB C 28 31.602 30.957 0.645 1 1 303 . 5 1 1 A 28 28 ARG N N 28 124.548 128.181 -3.633 1 1 305 . 5 1 1 A 29 29 SER H H 29 9.067 8.626 0.441 1 1 306 . 5 1 1 A 29 29 SER HA H 29 4.181 4.100 0.081 1 1 309 . 5 1 1 A 29 29 SER C C 29 176.066 177.079 -1.013 1 1 310 . 5 1 1 A 29 29 SER CA C 29 61.019 61.275 -0.256 1 1 311 . 5 1 1 A 29 29 SER CB C 29 63.057 62.756 0.301 1 1 312 . 5 1 1 A 29 29 SER N N 29 116.823 116.377 0.446 1 1 313 . 5 1 1 A 30 30 GLY HA2 H 30 3.810 4.021 -0.211 1 1 314 . 5 1 1 A 30 30 GLY HA3 H 30 4.172 4.056 0.116 1 1 315 . 5 1 1 A 30 30 GLY CA C 30 45.171 46.150 -0.979 1 1 316 . 5 1 1 A 31 31 TYR H H 31 8.001 7.726 0.275 1 1 317 . 5 1 1 A 31 31 TYR HA H 31 4.729 4.371 0.358 1 1 324 . 5 1 1 A 31 31 TYR CB C 31 37.249 38.390 -1.141 1 1 329 . 5 1 1 A 31 31 TYR N N 31 121.120 121.180 -0.060 1 1 330 . 5 1 1 A 32 32 ARG HA H 32 4.204 4.128 0.076 1 1 337 . 5 1 1 A 32 32 ARG C C 32 176.066 176.146 -0.080 1 1 338 . 5 1 1 A 32 32 ARG CA C 32 57.631 58.590 -0.959 1 1 339 . 5 1 1 A 32 32 ARG CB C 32 30.861 30.748 0.113 1 1 342 . 5 1 1 A 33 33 GLU H H 33 7.700 7.679 0.021 1 1 343 . 5 1 1 A 33 33 GLU HA H 33 4.600 4.451 0.149 1 1 348 . 5 1 1 A 33 33 GLU C C 33 175.569 174.882 0.687 1 1 349 . 5 1 1 A 33 33 GLU CA C 33 53.695 55.358 -1.663 1 1 350 . 5 1 1 A 33 33 GLU CB C 33 33.000 31.760 1.240 1 1 352 . 5 1 1 A 33 33 GLU N N 33 115.988 114.424 1.564 1 1 353 . 5 1 1 A 34 34 TYR H H 34 8.755 8.366 0.389 1 1 354 . 5 1 1 A 34 34 TYR HA H 34 4.311 4.671 -0.360 1 1 361 . 5 1 1 A 34 34 TYR C C 34 176.999 175.924 1.075 1 1 362 . 5 1 1 A 34 34 TYR CA C 34 59.537 59.774 -0.237 1 1 363 . 5 1 1 A 34 34 TYR CB C 34 39.744 39.361 0.383 1 1 368 . 5 1 1 A 34 34 TYR N N 34 118.663 121.801 -3.138 1 1 369 . 5 1 1 A 35 35 GLU H H 35 9.024 9.648 -0.624 1 1 370 . 5 1 1 A 35 35 GLU HA H 35 4.401 4.877 -0.476 1 1 375 . 5 1 1 A 35 35 GLU C C 35 174.406 174.866 -0.460 1 1 376 . 5 1 1 A 35 35 GLU CA C 35 54.330 55.180 -0.850 1 1 377 . 5 1 1 A 35 35 GLU CB C 35 31.972 32.947 -0.975 1 1 379 . 5 1 1 A 35 35 GLU N N 35 122.488 123.399 -0.911 1 1 380 . 5 1 1 A 36 36 HIS H H 36 8.639 8.725 -0.086 1 1 381 . 5 1 1 A 36 36 HIS HA H 36 4.980 5.145 -0.165 1 1 386 . 5 1 1 A 36 36 HIS C C 36 174.127 173.602 0.525 1 1 387 . 5 1 1 A 36 36 HIS CA C 36 55.607 54.706 0.901 1 1 388 . 5 1 1 A 36 36 HIS CB C 36 31.396 31.082 0.314 1 1 391 . 5 1 1 A 36 36 HIS N N 36 123.767 123.274 0.493 1 1 392 . 5 1 1 A 37 37 TYR H H 37 8.931 8.638 0.293 1 1 393 . 5 1 1 A 37 37 TYR HA H 37 5.668 4.936 0.732 1 1 400 . 5 1 1 A 37 37 TYR C C 37 177.969 174.650 3.319 1 1 401 . 5 1 1 A 37 37 TYR CA C 37 55.407 56.891 -1.484 1 1 402 . 5 1 1 A 37 37 TYR CB C 37 42.089 42.528 -0.439 1 1 407 . 5 1 1 A 37 37 TYR N N 37 124.075 125.526 -1.451 1 1 408 . 5 1 1 A 38 38 TRP H H 38 8.931 9.276 -0.345 1 1 409 . 5 1 1 A 38 38 TRP HA H 38 4.329 4.849 -0.520 1 1 418 . 5 1 1 A 38 38 TRP C C 38 174.345 175.082 -0.737 1 1 419 . 5 1 1 A 38 38 TRP CA C 38 58.230 56.005 2.225 1 1 420 . 5 1 1 A 38 38 TRP CB C 38 28.846 29.118 -0.272 1 1 426 . 5 1 1 A 38 38 TRP N N 38 125.317 126.489 -1.172 1 1 428 . 5 1 1 A 39 39 THR H H 39 8.366 8.795 -0.429 1 1 429 . 5 1 1 A 39 39 THR HA H 39 5.535 4.760 0.775 1 1 434 . 5 1 1 A 39 39 THR C C 39 173.303 174.283 -0.980 1 1 435 . 5 1 1 A 39 39 THR CA C 39 62.037 62.714 -0.677 1 1 436 . 5 1 1 A 39 39 THR CB C 39 70.295 70.092 0.203 1 1 438 . 5 1 1 A 39 39 THR N N 39 127.024 122.089 4.935 1 1 439 . 5 1 1 A 40 40 GLU H H 40 8.902 9.640 -0.738 1 1 440 . 5 1 1 A 40 40 GLU HA H 40 4.816 4.733 0.083 1 1 445 . 5 1 1 A 40 40 GLU C C 40 175.351 174.713 0.638 1 1 446 . 5 1 1 A 40 40 GLU CA C 40 53.607 54.621 -1.014 1 1 447 . 5 1 1 A 40 40 GLU CB C 40 34.639 33.217 1.422 1 1 449 . 5 1 1 A 40 40 GLU N N 40 120.613 124.939 -4.326 1 1 450 . 5 1 1 A 41 41 LEU H H 41 8.910 9.011 -0.101 1 1 451 . 5 1 1 A 41 41 LEU HA H 41 5.168 5.072 0.096 1 1 461 . 5 1 1 A 41 41 LEU C C 41 174.806 174.970 -0.164 1 1 462 . 5 1 1 A 41 41 LEU CA C 41 53.872 54.382 -0.510 1 1 463 . 5 1 1 A 41 41 LEU CB C 41 43.610 43.159 0.451 1 1 467 . 5 1 1 A 41 41 LEU N N 41 123.682 127.460 -3.778 1 1 468 . 5 1 1 A 42 42 ARG H H 42 9.150 8.354 0.796 1 1 469 . 5 1 1 A 42 42 ARG HA H 42 5.182 4.448 0.734 1 1 474 . 5 1 1 A 42 42 ARG C C 42 176.272 176.442 -0.170 1 1 475 . 5 1 1 A 42 42 ARG CA C 42 53.643 54.778 -1.135 1 1 476 . 5 1 1 A 42 42 ARG CB C 42 33.205 33.122 0.083 1 1 479 . 5 1 1 A 42 42 ARG N N 42 127.645 125.704 1.941 1 1 480 . 5 1 1 A 43 43 GLY H H 43 6.304 7.955 -1.651 1 1 481 . 5 1 1 A 43 43 GLY HA2 H 43 3.917 3.914 0.003 1 1 482 . 5 1 1 A 43 43 GLY HA3 H 43 3.812 4.044 -0.232 1 1 483 . 5 1 1 A 43 43 GLY C C 43 171.630 174.737 -3.107 1 1 484 . 5 1 1 A 43 43 GLY CA C 43 47.025 47.368 -0.343 1 1 485 . 5 1 1 A 43 43 GLY N N 43 112.565 113.231 -0.666 1 1 486 . 5 1 1 A 44 44 THR H H 44 7.841 8.522 -0.681 1 1 487 . 5 1 1 A 44 44 THR HA H 44 4.313 4.713 -0.400 1 1 492 . 5 1 1 A 44 44 THR C C 44 172.515 173.477 -0.962 1 1 493 . 5 1 1 A 44 44 THR CA C 44 60.207 61.019 -0.812 1 1 494 . 5 1 1 A 44 44 THR CB C 44 68.320 70.241 -1.921 1 1 496 . 5 1 1 A 44 44 THR N N 44 111.769 118.288 -6.519 1 1 497 . 5 1 1 A 45 45 THR H H 45 8.500 7.813 0.687 1 1 498 . 5 1 1 A 45 45 THR HA H 45 4.664 4.697 -0.033 1 1 503 . 5 1 1 A 45 45 THR C C 45 172.224 173.700 -1.476 1 1 504 . 5 1 1 A 45 45 THR CA C 45 62.413 61.647 0.766 1 1 505 . 5 1 1 A 45 45 THR CB C 45 69.848 70.733 -0.885 1 1 507 . 5 1 1 A 45 45 THR N N 45 118.681 117.123 1.558 1 1 508 . 5 1 1 A 46 46 LEU H H 46 8.391 8.441 -0.050 1 1 509 . 5 1 1 A 46 46 LEU HA H 46 4.892 4.553 0.339 1 1 519 . 5 1 1 A 46 46 LEU C C 46 174.260 175.542 -1.282 1 1 520 . 5 1 1 A 46 46 LEU CA C 46 52.654 54.328 -1.674 1 1 521 . 5 1 1 A 46 46 LEU CB C 46 42.911 41.405 1.506 1 1 525 . 5 1 1 A 46 46 LEU N N 46 125.559 127.896 -2.337 1 1 526 . 5 1 1 A 47 47 PHE H H 47 9.131 9.014 0.117 1 1 527 . 5 1 1 A 47 47 PHE HA H 47 3.940 5.098 -1.158 1 1 535 . 5 1 1 A 47 47 PHE C C 47 173.363 174.446 -1.083 1 1 536 . 5 1 1 A 47 47 PHE CA C 47 57.454 56.126 1.328 1 1 537 . 5 1 1 A 47 47 PHE CB C 47 42.747 40.706 2.041 1 1 543 . 5 1 1 A 47 47 PHE N N 47 121.095 123.981 -2.886 1 1 544 . 5 1 1 A 48 48 PHE H H 48 7.881 9.101 -1.220 1 1 545 . 5 1 1 A 48 48 PHE HA H 48 5.021 5.399 -0.378 1 1 553 . 5 1 1 A 48 48 PHE C C 48 173.727 174.443 -0.716 1 1 554 . 5 1 1 A 48 48 PHE CA C 48 56.166 56.102 0.064 1 1 555 . 5 1 1 A 48 48 PHE CB C 48 39.169 41.622 -2.453 1 1 561 . 5 1 1 A 48 48 PHE N N 48 120.063 122.665 -2.602 1 1 562 . 5 1 1 A 49 49 TYR H H 49 9.972 8.913 1.059 1 1 563 . 5 1 1 A 49 49 TYR HA H 49 5.190 5.179 0.011 1 1 570 . 5 1 1 A 49 49 TYR C C 49 176.587 176.408 0.179 1 1 571 . 5 1 1 A 49 49 TYR CA C 49 56.254 57.008 -0.754 1 1 572 . 5 1 1 A 49 49 TYR CB C 49 41.842 42.720 -0.878 1 1 577 . 5 1 1 A 49 49 TYR N N 49 121.415 120.572 0.843 1 1 578 . 5 1 1 A 50 50 THR H H 50 9.511 8.986 0.525 1 1 579 . 5 1 1 A 50 50 THR HA H 50 4.571 4.670 -0.099 1 1 584 . 5 1 1 A 50 50 THR C C 50 174.793 174.369 0.424 1 1 585 . 5 1 1 A 50 50 THR CA C 50 65.361 63.594 1.767 1 1 586 . 5 1 1 A 50 50 THR CB C 50 69.043 69.396 -0.353 1 1 588 . 5 1 1 A 50 50 THR N N 50 114.446 115.753 -1.307 1 1 589 . 5 1 1 A 51 51 ASP H H 51 7.828 8.012 -0.184 1 1 590 . 5 1 1 A 51 51 ASP HA H 51 4.803 5.172 -0.369 1 1 593 . 5 1 1 A 51 51 ASP C C 51 174.685 175.818 -1.133 1 1 594 . 5 1 1 A 51 51 ASP CA C 51 53.254 53.387 -0.133 1 1 595 . 5 1 1 A 51 51 ASP CB C 51 43.586 44.812 -1.226 1 1 596 . 5 1 1 A 51 51 ASP N N 51 115.656 119.855 -4.199 1 1 597 . 5 1 1 A 52 52 LYS H H 52 8.271 9.015 -0.744 1 1 598 . 5 1 1 A 52 52 LYS HA H 52 2.800 3.669 -0.869 1 1 607 . 5 1 1 A 52 52 LYS C C 52 176.671 178.237 -1.566 1 1 608 . 5 1 1 A 52 52 LYS CA C 52 58.372 60.141 -1.769 1 1 609 . 5 1 1 A 52 52 LYS CB C 52 32.178 31.930 0.248 1 1 613 . 5 1 1 A 52 52 LYS N N 52 119.009 122.848 -3.839 1 1 614 . 5 1 1 A 53 53 LYS H H 53 8.068 7.918 0.150 1 1 615 . 5 1 1 A 53 53 LYS HA H 53 4.109 4.049 0.060 1 1 624 . 5 1 1 A 53 53 LYS C C 53 176.950 177.492 -0.542 1 1 625 . 5 1 1 A 53 53 LYS CA C 53 55.830 59.381 -3.551 1 1 626 . 5 1 1 A 53 53 LYS CB C 53 32.301 32.149 0.152 1 1 630 . 5 1 1 A 53 53 LYS N N 53 116.395 120.206 -3.811 1 1 631 . 5 1 1 A 54 54 SER H H 54 7.549 7.821 -0.272 1 1 632 . 5 1 1 A 54 54 SER HA H 54 4.316 4.427 -0.111 1 1 635 . 5 1 1 A 54 54 SER C C 54 174.394 175.025 -0.631 1 1 636 . 5 1 1 A 54 54 SER CA C 54 59.395 58.886 0.509 1 1 637 . 5 1 1 A 54 54 SER CB C 54 64.337 64.078 0.259 1 1 638 . 5 1 1 A 54 54 SER N N 54 116.653 113.589 3.064 1 1 639 . 5 1 1 A 55 55 ILE H H 55 8.424 8.655 -0.231 1 1 640 . 5 1 1 A 55 55 ILE HA H 55 4.267 4.494 -0.227 1 1 650 . 5 1 1 A 55 55 ILE C C 55 174.999 177.595 -2.596 1 1 651 . 5 1 1 A 55 55 ILE CA C 55 62.213 62.195 0.018 1 1 652 . 5 1 1 A 55 55 ILE CB C 55 38.728 39.326 -0.598 1 1 656 . 5 1 1 A 55 55 ILE N N 55 118.660 122.184 -3.524 1 1 657 . 5 1 1 A 56 56 ILE H H 56 7.771 7.655 0.116 1 1 658 . 5 1 1 A 56 56 ILE HA H 56 4.561 4.076 0.485 1 1 668 . 5 1 1 A 56 56 ILE C C 56 175.266 176.119 -0.853 1 1 669 . 5 1 1 A 56 56 ILE CA C 56 59.342 63.122 -3.780 1 1 670 . 5 1 1 A 56 56 ILE CB C 56 39.506 38.214 1.292 1 1 674 . 5 1 1 A 56 56 ILE N N 56 119.568 121.783 -2.215 1 1 675 . 5 1 1 A 57 57 TYR H H 57 7.251 8.156 -0.905 1 1 676 . 5 1 1 A 57 57 TYR HA H 57 4.261 4.380 -0.119 1 1 683 . 5 1 1 A 57 57 TYR C C 57 174.902 174.841 0.061 1 1 684 . 5 1 1 A 57 57 TYR CA C 57 56.201 56.703 -0.502 1 1 685 . 5 1 1 A 57 57 TYR CB C 57 37.230 39.767 -2.537 1 1 690 . 5 1 1 A 58 58 VAL H H 58 9.157 8.279 0.878 1 1 691 . 5 1 1 A 58 58 VAL HA H 58 4.251 3.834 0.417 1 1 699 . 5 1 1 A 58 58 VAL C C 58 175.812 174.377 1.435 1 1 700 . 5 1 1 A 58 58 VAL CA C 58 62.360 63.550 -1.190 1 1 701 . 5 1 1 A 58 58 VAL CB C 58 33.123 33.115 0.008 1 1 704 . 5 1 1 A 58 58 VAL N N 58 116.888 119.917 -3.029 1 1 705 . 5 1 1 A 59 59 ASP H H 59 7.990 6.771 1.219 1 1 706 . 5 1 1 A 59 59 ASP HA H 59 4.970 4.517 0.453 1 1 709 . 5 1 1 A 59 59 ASP C C 59 172.346 174.118 -1.772 1 1 710 . 5 1 1 A 59 59 ASP CA C 59 52.601 53.359 -0.758 1 1 711 . 5 1 1 A 59 59 ASP CB C 59 42.952 43.729 -0.777 1 1 712 . 5 1 1 A 59 59 ASP N N 59 117.301 118.642 -1.341 1 1 713 . 5 1 1 A 60 60 LYS H H 60 8.991 8.957 0.034 1 1 714 . 5 1 1 A 60 60 LYS HA H 60 4.761 5.530 -0.769 1 1 723 . 5 1 1 A 60 60 LYS C C 60 173.666 174.113 -0.447 1 1 724 . 5 1 1 A 60 60 LYS CA C 60 54.718 54.978 -0.260 1 1 725 . 5 1 1 A 60 60 LYS CB C 60 35.097 36.572 -1.475 1 1 729 . 5 1 1 A 60 60 LYS N N 60 118.648 117.879 0.769 1 1 730 . 5 1 1 A 61 61 LEU H H 61 8.702 8.460 0.242 1 1 731 . 5 1 1 A 61 61 LEU HA H 61 4.462 5.010 -0.548 1 1 741 . 5 1 1 A 61 61 LEU C C 61 173.630 174.704 -1.074 1 1 742 . 5 1 1 A 61 61 LEU CA C 61 54.065 53.366 0.699 1 1 743 . 5 1 1 A 61 61 LEU CB C 61 47.032 46.718 0.314 1 1 747 . 5 1 1 A 61 61 LEU N N 61 121.890 120.592 1.298 1 1 748 . 5 1 1 A 62 62 ASP H H 62 8.868 8.636 0.232 1 1 749 . 5 1 1 A 62 62 ASP HA H 62 4.841 5.215 -0.374 1 1 752 . 5 1 1 A 62 62 ASP C C 62 178.029 175.350 2.679 1 1 753 . 5 1 1 A 62 62 ASP CA C 62 53.819 52.839 0.980 1 1 754 . 5 1 1 A 62 62 ASP CB C 62 40.772 44.096 -3.324 1 1 755 . 5 1 1 A 62 62 ASP N N 62 128.697 119.899 8.798 1 1 756 . 5 1 1 A 63 63 ILE H H 63 9.261 8.095 1.166 1 1 757 . 5 1 1 A 63 63 ILE HA H 63 4.554 4.612 -0.058 1 1 767 . 5 1 1 A 63 63 ILE C C 63 175.617 177.010 -1.393 1 1 768 . 5 1 1 A 63 63 ILE CA C 63 60.736 60.392 0.344 1 1 769 . 5 1 1 A 63 63 ILE CB C 63 38.364 37.843 0.521 1 1 773 . 5 1 1 A 63 63 ILE N N 63 120.253 120.854 -0.601 1 1 774 . 5 1 1 A 64 64 VAL H H 64 8.010 7.719 0.291 1 1 775 . 5 1 1 A 64 64 VAL HA H 64 3.781 3.898 -0.117 1 1 783 . 5 1 1 A 64 64 VAL C C 64 174.878 177.396 -2.518 1 1 784 . 5 1 1 A 64 64 VAL CA C 64 65.572 64.755 0.817 1 1 785 . 5 1 1 A 64 64 VAL CB C 64 30.532 31.747 -1.215 1 1 788 . 5 1 1 A 64 64 VAL N N 64 122.413 122.700 -0.287 1 1 789 . 5 1 1 A 65 65 ASP H H 65 8.391 7.601 0.790 1 1 790 . 5 1 1 A 65 65 ASP HA H 65 4.841 4.707 0.134 1 1 793 . 5 1 1 A 65 65 ASP C C 65 174.854 176.157 -1.303 1 1 794 . 5 1 1 A 65 65 ASP CA C 65 53.483 53.705 -0.222 1 1 795 . 5 1 1 A 65 65 ASP CB C 65 40.114 41.266 -1.152 1 1 796 . 5 1 1 A 65 65 ASP N N 65 119.308 119.605 -0.297 1 1 797 . 5 1 1 A 66 66 LEU H H 66 7.517 7.286 0.231 1 1 798 . 5 1 1 A 66 66 LEU HA H 66 3.962 4.177 -0.215 1 1 808 . 5 1 1 A 66 66 LEU C C 66 176.708 177.566 -0.858 1 1 809 . 5 1 1 A 66 66 LEU CA C 66 57.471 56.472 0.999 1 1 810 . 5 1 1 A 66 66 LEU CB C 66 43.322 42.790 0.532 1 1 814 . 5 1 1 A 66 66 LEU N N 66 120.009 123.369 -3.360 1 1 815 . 5 1 1 A 67 67 THR H H 67 9.329 10.289 -0.960 1 1 816 . 5 1 1 A 67 67 THR HA H 67 4.363 4.363 0.000 1 1 821 . 5 1 1 A 67 67 THR C C 67 175.145 174.263 0.882 1 1 822 . 5 1 1 A 67 67 THR CA C 67 64.019 63.572 0.447 1 1 823 . 5 1 1 A 67 67 THR CB C 67 69.107 69.145 -0.038 1 1 825 . 5 1 1 A 67 67 THR N N 67 123.534 120.987 2.547 1 1 826 . 5 1 1 A 68 68 CYS H H 68 7.584 7.062 0.522 1 1 827 . 5 1 1 A 68 68 CYS HA H 68 4.604 4.708 -0.104 1 1 830 . 5 1 1 A 68 68 CYS C C 68 170.528 172.221 -1.693 1 1 831 . 5 1 1 A 68 68 CYS CA C 68 57.402 58.685 -1.283 1 1 832 . 5 1 1 A 68 68 CYS CB C 68 29.175 30.950 -1.775 1 1 833 . 5 1 1 A 68 68 CYS N N 68 115.015 115.885 -0.870 1 1 834 . 5 1 1 A 69 69 LEU H H 69 8.730 8.669 0.061 1 1 835 . 5 1 1 A 69 69 LEU HA H 69 5.411 5.198 0.213 1 1 845 . 5 1 1 A 69 69 LEU C C 69 176.356 175.687 0.669 1 1 846 . 5 1 1 A 69 69 LEU CA C 69 54.242 54.147 0.095 1 1 847 . 5 1 1 A 69 69 LEU CB C 69 44.885 45.683 -0.798 1 1 851 . 5 1 1 A 69 69 LEU N N 69 125.633 122.628 3.005 1 1 852 . 5 1 1 A 70 70 THR H H 70 9.197 8.785 0.412 1 1 853 . 5 1 1 A 70 70 THR HA H 70 4.702 5.162 -0.460 1 1 858 . 5 1 1 A 70 70 THR C C 70 173.582 173.563 0.019 1 1 859 . 5 1 1 A 70 70 THR CA C 70 60.384 59.909 0.475 1 1 860 . 5 1 1 A 70 70 THR CB C 70 70.870 71.340 -0.470 1 1 862 . 5 1 1 A 70 70 THR N N 70 120.391 117.421 2.970 1 1 863 . 5 1 1 A 71 71 GLU H H 71 8.965 8.933 0.032 1 1 864 . 5 1 1 A 71 71 GLU HA H 71 4.685 5.298 -0.613 1 1 869 . 5 1 1 A 71 71 GLU C C 71 175.957 175.564 0.393 1 1 870 . 5 1 1 A 71 71 GLU CA C 71 56.254 54.663 1.591 1 1 871 . 5 1 1 A 71 71 GLU CB C 71 31.396 32.318 -0.922 1 1 873 . 5 1 1 A 71 71 GLU N N 71 124.718 120.048 4.670 1 1 874 . 5 1 1 A 72 72 GLN H H 72 8.318 8.947 -0.629 1 1 875 . 5 1 1 A 72 72 GLN HA H 72 4.629 4.692 -0.063 1 1 882 . 5 1 1 A 72 72 GLN C C 72 175.254 175.256 -0.002 1 1 883 . 5 1 1 A 72 72 GLN CA C 72 55.336 55.864 -0.528 1 1 884 . 5 1 1 A 72 72 GLN CB C 72 30.533 29.691 0.842 1 1 886 . 5 1 1 A 72 72 GLN N N 72 123.543 124.131 -0.588 1 1 888 . 5 1 1 A 73 73 ASN H H 73 8.670 8.907 -0.237 1 1 889 . 5 1 1 A 73 73 ASN HA H 73 4.688 4.966 -0.278 1 1 894 . 5 1 1 A 73 73 ASN C C 73 175.229 174.729 0.500 1 1 895 . 5 1 1 A 73 73 ASN CA C 73 53.607 53.574 0.033 1 1 896 . 5 1 1 A 73 73 ASN CB C 73 39.169 40.259 -1.090 1 1 897 . 5 1 1 A 73 73 ASN N N 73 120.534 124.464 -3.930 1 1 899 . 5 1 1 A 74 74 SER H H 74 8.641 9.088 -0.447 1 1 900 . 5 1 1 A 74 74 SER HA H 74 4.652 4.589 0.063 1 1 903 . 5 1 1 A 74 74 SER C C 74 175.121 175.476 -0.355 1 1 904 . 5 1 1 A 74 74 SER CA C 74 58.409 59.814 -1.405 1 1 905 . 5 1 1 A 74 74 SER CB C 74 64.401 65.345 -0.944 1 1 906 . 5 1 1 A 74 74 SER N N 74 117.448 118.948 -1.500 1 1 907 . 5 1 1 A 75 75 THR HA H 75 4.282 4.456 -0.174 1 1 912 . 5 1 1 A 75 75 THR C C 75 174.878 175.168 -0.290 1 1 913 . 5 1 1 A 75 75 THR CA C 75 62.819 63.753 -0.934 1 1 914 . 5 1 1 A 75 75 THR CB C 75 69.061 70.898 -1.837 1 1 916 . 5 1 1 A 76 76 GLU H H 76 8.156 7.917 0.239 1 1 917 . 5 1 1 A 76 76 GLU HA H 76 4.350 4.522 -0.172 1 1 922 . 5 1 1 A 76 76 GLU C C 76 176.138 175.335 0.803 1 1 923 . 5 1 1 A 76 76 GLU CA C 76 56.202 55.776 0.426 1 1 924 . 5 1 1 A 76 76 GLU CB C 76 30.532 29.848 0.684 1 1 926 . 5 1 1 A 76 76 GLU N N 76 122.220 117.137 5.083 1 1 927 . 5 1 1 A 77 77 LYS H H 77 8.443 8.941 -0.498 1 1 928 . 5 1 1 A 77 77 LYS HA H 77 4.221 4.316 -0.095 1 1 937 . 5 1 1 A 77 77 LYS C C 77 176.465 175.214 1.251 1 1 938 . 5 1 1 A 77 77 LYS CA C 77 56.730 58.092 -1.362 1 1 939 . 5 1 1 A 77 77 LYS CB C 77 32.301 31.794 0.507 1 1 943 . 5 1 1 A 77 77 LYS N N 77 122.162 126.916 -4.754 1 1 944 . 5 1 1 A 78 78 ASN H H 78 8.621 8.527 0.094 1 1 945 . 5 1 1 A 78 78 ASN HA H 78 4.641 4.928 -0.287 1 1 950 . 5 1 1 A 78 78 ASN C C 78 173.485 173.717 -0.232 1 1 951 . 5 1 1 A 78 78 ASN CA C 78 53.748 54.636 -0.888 1 1 952 . 5 1 1 A 78 78 ASN CB C 78 38.058 40.638 -2.580 1 1 953 . 5 1 1 A 78 78 ASN N N 78 116.583 123.156 -6.573 1 1 955 . 5 1 1 A 79 79 CYS H H 79 7.551 7.787 -0.236 1 1 956 . 5 1 1 A 79 79 CYS HA H 79 4.371 4.951 -0.580 1 1 959 . 5 1 1 A 79 79 CYS C C 79 172.515 172.654 -0.139 1 1 960 . 5 1 1 A 79 79 CYS CA C 79 57.295 57.530 -0.235 1 1 961 . 5 1 1 A 79 79 CYS CB C 79 29.628 33.107 -3.479 1 1 962 . 5 1 1 A 79 79 CYS N N 79 112.640 116.021 -3.381 1 1 963 . 5 1 1 A 80 80 ALA H H 80 7.642 8.418 -0.776 1 1 964 . 5 1 1 A 80 80 ALA HA H 80 4.727 4.835 -0.108 1 1 968 . 5 1 1 A 80 80 ALA C C 80 175.314 176.615 -1.301 1 1 969 . 5 1 1 A 80 80 ALA CA C 80 51.330 51.218 0.112 1 1 970 . 5 1 1 A 80 80 ALA CB C 80 21.896 20.099 1.797 1 1 971 . 5 1 1 A 80 80 ALA N N 80 124.099 124.948 -0.849 1 1 972 . 5 1 1 A 81 81 LYS H H 81 8.459 8.696 -0.237 1 1 973 . 5 1 1 A 81 81 LYS HA H 81 5.112 4.855 0.257 1 1 982 . 5 1 1 A 81 81 LYS C C 81 174.781 175.103 -0.322 1 1 983 . 5 1 1 A 81 81 LYS CA C 81 55.283 54.604 0.679 1 1 984 . 5 1 1 A 81 81 LYS CB C 81 36.133 35.113 1.020 1 1 988 . 5 1 1 A 81 81 LYS N N 81 119.796 123.222 -3.426 1 1 989 . 5 1 1 A 82 82 PHE H H 82 8.748 7.858 0.890 1 1 990 . 5 1 1 A 82 82 PHE HA H 82 5.513 5.665 -0.152 1 1 998 . 5 1 1 A 82 82 PHE C C 82 174.357 172.468 1.889 1 1 999 . 5 1 1 A 82 82 PHE CA C 82 55.643 56.206 -0.563 1 1 1000 . 5 1 1 A 82 82 PHE CB C 82 42.089 42.294 -0.205 1 1 1006 . 5 1 1 A 82 82 PHE N N 82 119.073 119.919 -0.846 1 1 1007 . 5 1 1 A 83 83 THR H H 83 9.290 8.406 0.884 1 1 1008 . 5 1 1 A 83 83 THR HA H 83 5.032 5.106 -0.074 1 1 1013 . 5 1 1 A 83 83 THR C C 83 173.472 173.902 -0.430 1 1 1014 . 5 1 1 A 83 83 THR CA C 83 62.113 61.509 0.604 1 1 1015 . 5 1 1 A 83 83 THR CB C 83 71.076 70.709 0.367 1 1 1017 . 5 1 1 A 83 83 THR N N 83 116.845 116.415 0.430 1 1 1018 . 5 1 1 A 84 84 LEU H H 84 9.502 9.616 -0.114 1 1 1019 . 5 1 1 A 84 84 LEU HA H 84 4.691 4.939 -0.248 1 1 1029 . 5 1 1 A 84 84 LEU C C 84 174.308 175.710 -1.402 1 1 1030 . 5 1 1 A 84 84 LEU CA C 84 54.224 53.599 0.625 1 1 1031 . 5 1 1 A 84 84 LEU CB C 84 41.636 41.709 -0.073 1 1 1035 . 5 1 1 A 84 84 LEU N N 84 125.923 126.954 -1.031 1 1 1036 . 5 1 1 A 85 85 VAL H H 85 8.620 8.703 -0.083 1 1 1037 . 5 1 1 A 85 85 VAL HA H 85 4.151 4.439 -0.288 1 1 1045 . 5 1 1 A 85 85 VAL C C 85 174.188 175.309 -1.121 1 1 1046 . 5 1 1 A 85 85 VAL CA C 85 63.649 62.122 1.527 1 1 1047 . 5 1 1 A 85 85 VAL CB C 85 30.861 31.653 -0.792 1 1 1050 . 5 1 1 A 85 85 VAL N N 85 126.007 125.198 0.809 1 1 1051 . 5 1 1 A 86 86 LEU H H 86 8.534 8.757 -0.223 1 1 1052 . 5 1 1 A 86 86 LEU HA H 86 4.853 4.803 0.050 1 1 1062 . 5 1 1 A 86 86 LEU C C 86 174.878 176.726 -1.848 1 1 1063 . 5 1 1 A 86 86 LEU CA C 86 53.183 51.858 1.325 1 1 1064 . 5 1 1 A 86 86 LEU CB C 86 40.485 44.493 -4.008 1 1 1068 . 5 1 1 A 86 86 LEU N N 86 129.551 128.076 1.475 1 1 1069 . 5 1 1 A 87 87 PRO HA H 87 4.221 4.542 -0.321 1 1 1076 . 5 1 1 A 87 87 PRO C C 87 178.223 177.077 1.146 1 1 1077 . 5 1 1 A 87 87 PRO CA C 87 66.455 64.167 2.288 1 1 1078 . 5 1 1 A 87 87 PRO CB C 87 32.260 31.714 0.546 1 1 1081 . 5 1 1 A 88 88 LYS H H 88 8.414 8.216 0.198 1 1 1082 . 5 1 1 A 88 88 LYS HA H 88 4.548 4.371 0.177 1 1 1091 . 5 1 1 A 88 88 LYS C C 88 176.187 176.598 -0.411 1 1 1092 . 5 1 1 A 88 88 LYS CA C 88 55.071 57.006 -1.935 1 1 1093 . 5 1 1 A 88 88 LYS CB C 88 33.534 34.115 -0.581 1 1 1097 . 5 1 1 A 88 88 LYS N N 88 110.404 116.786 -6.382 1 1 1098 . 5 1 1 A 89 89 GLU H H 89 7.208 7.750 -0.542 1 1 1099 . 5 1 1 A 89 89 GLU HA H 89 4.561 4.718 -0.157 1 1 1104 . 5 1 1 A 89 89 GLU C C 89 172.527 174.177 -1.650 1 1 1105 . 5 1 1 A 89 89 GLU CA C 89 56.007 55.644 0.363 1 1 1106 . 5 1 1 A 89 89 GLU CB C 89 33.082 33.647 -0.565 1 1 1108 . 5 1 1 A 89 89 GLU N N 89 116.828 115.084 1.744 1 1 1109 . 5 1 1 A 90 90 GLU H H 90 8.321 8.630 -0.309 1 1 1110 . 5 1 1 A 90 90 GLU HA H 90 5.249 5.373 -0.124 1 1 1115 . 5 1 1 A 90 90 GLU C C 90 176.296 175.815 0.481 1 1 1116 . 5 1 1 A 90 90 GLU CA C 90 54.860 55.424 -0.564 1 1 1117 . 5 1 1 A 90 90 GLU CB C 90 31.972 31.900 0.072 1 1 1119 . 5 1 1 A 90 90 GLU N N 90 119.609 124.832 -5.223 1 1 1120 . 5 1 1 A 91 91 VAL H H 91 8.972 8.702 0.270 1 1 1121 . 5 1 1 A 91 91 VAL HA H 91 4.352 4.716 -0.364 1 1 1129 . 5 1 1 A 91 91 VAL C C 91 174.284 174.842 -0.558 1 1 1130 . 5 1 1 A 91 91 VAL CA C 91 61.284 59.921 1.363 1 1 1131 . 5 1 1 A 91 91 VAL CB C 91 34.891 35.683 -0.792 1 1 1134 . 5 1 1 A 91 91 VAL N N 91 123.947 122.981 0.966 1 1 1135 . 5 1 1 A 92 92 GLN H H 92 8.241 8.703 -0.462 1 1 1136 . 5 1 1 A 92 92 GLN HA H 92 4.930 5.150 -0.220 1 1 1143 . 5 1 1 A 92 92 GLN C C 92 174.115 175.066 -0.951 1 1 1144 . 5 1 1 A 92 92 GLN CA C 92 55.583 54.464 1.119 1 1 1145 . 5 1 1 A 92 92 GLN CB C 92 30.121 31.869 -1.748 1 1 1147 . 5 1 1 A 92 92 GLN N N 92 125.869 124.087 1.782 1 1 1149 . 5 1 1 A 93 93 LEU H H 93 9.145 8.751 0.394 1 1 1150 . 5 1 1 A 93 93 LEU HA H 93 5.456 5.284 0.172 1 1 1160 . 5 1 1 A 93 93 LEU C C 93 176.256 175.181 1.075 1 1 1161 . 5 1 1 A 93 93 LEU CA C 93 53.801 53.298 0.503 1 1 1162 . 5 1 1 A 93 93 LEU CB C 93 45.913 46.036 -0.123 1 1 1166 . 5 1 1 A 93 93 LEU N N 93 123.952 124.281 -0.329 1 1 1167 . 5 1 1 A 94 94 LYS H H 94 9.255 8.254 1.001 1 1 1168 . 5 1 1 A 94 94 LYS HA H 94 5.452 4.662 0.790 1 1 1177 . 5 1 1 A 94 94 LYS C C 94 174.563 174.573 -0.010 1 1 1178 . 5 1 1 A 94 94 LYS CA C 94 54.718 55.163 -0.445 1 1 1179 . 5 1 1 A 94 94 LYS CB C 94 36.571 35.927 0.644 1 1 1183 . 5 1 1 A 94 94 LYS N N 94 124.618 122.706 1.912 1 1 1184 . 5 1 1 A 95 95 THR H H 95 8.582 8.153 0.429 1 1 1185 . 5 1 1 A 95 95 THR HA H 95 4.946 5.012 -0.066 1 1 1190 . 5 1 1 A 95 95 THR C C 95 175.278 174.302 0.976 1 1 1191 . 5 1 1 A 95 95 THR CA C 95 59.908 59.632 0.276 1 1 1192 . 5 1 1 A 95 95 THR CB C 95 70.917 71.842 -0.925 1 1 1194 . 5 1 1 A 95 95 THR N N 95 112.788 115.862 -3.074 1 1 1195 . 5 1 1 A 96 96 GLU H H 96 9.033 8.852 0.181 1 1 1196 . 5 1 1 A 96 96 GLU HA H 96 4.321 4.636 -0.315 1 1 1201 . 5 1 1 A 96 96 GLU C C 96 175.435 175.319 0.116 1 1 1202 . 5 1 1 A 96 96 GLU CA C 96 57.595 56.098 1.497 1 1 1203 . 5 1 1 A 96 96 GLU CB C 96 30.656 30.414 0.242 1 1 1205 . 5 1 1 A 96 96 GLU N N 96 117.745 118.603 -0.858 1 1 1206 . 5 1 1 A 97 97 ASN H H 97 7.562 7.697 -0.135 1 1 1207 . 5 1 1 A 97 97 ASN HA H 97 5.074 4.967 0.107 1 1 1212 . 5 1 1 A 97 97 ASN C C 97 176.575 175.219 1.356 1 1 1213 . 5 1 1 A 97 97 ASN CA C 97 52.195 53.152 -0.957 1 1 1214 . 5 1 1 A 97 97 ASN CB C 97 40.485 41.433 -0.948 1 1 1215 . 5 1 1 A 97 97 ASN N N 97 110.462 118.255 -7.793 1 1 1217 . 5 1 1 A 98 98 THR HA H 98 3.916 3.872 0.044 1 1 1222 . 5 1 1 A 98 98 THR C C 98 176.938 176.169 0.769 1 1 1223 . 5 1 1 A 98 98 THR CA C 98 66.349 66.068 0.281 1 1 1224 . 5 1 1 A 98 98 THR CB C 98 68.638 68.982 -0.344 1 1 1226 . 5 1 1 A 99 99 GLU H H 99 9.316 8.351 0.965 1 1 1227 . 5 1 1 A 99 99 GLU HA H 99 4.221 4.051 0.170 1 1 1232 . 5 1 1 A 99 99 GLU C C 99 179.241 178.819 0.422 1 1 1233 . 5 1 1 A 99 99 GLU CA C 99 60.754 59.262 1.492 1 1 1234 . 5 1 1 A 99 99 GLU CB C 99 28.764 29.337 -0.573 1 1 1236 . 5 1 1 A 99 99 GLU N N 99 125.868 121.588 4.280 1 1 1237 . 5 1 1 A 100 100 SER H H 100 8.739 8.462 0.277 1 1 1238 . 5 1 1 A 100 100 SER HA H 100 4.863 4.717 0.146 1 1 1241 . 5 1 1 A 100 100 SER C C 100 177.411 177.156 0.255 1 1 1242 . 5 1 1 A 100 100 SER CA C 100 61.037 62.805 -1.768 1 1 1243 . 5 1 1 A 100 100 SER CB C 100 63.879 63.239 0.640 1 1 1244 . 5 1 1 A 100 100 SER N N 100 114.755 116.401 -1.646 1 1 1245 . 5 1 1 A 101 101 GLY H H 101 7.879 8.613 -0.734 1 1 1246 . 5 1 1 A 101 101 GLY HA2 H 101 4.139 3.964 0.175 1 1 1247 . 5 1 1 A 101 101 GLY HA3 H 101 4.012 4.103 -0.091 1 1 1248 . 5 1 1 A 101 101 GLY C C 101 174.611 176.083 -1.472 1 1 1249 . 5 1 1 A 101 101 GLY CA C 101 48.948 47.618 1.330 1 1 1250 . 5 1 1 A 101 101 GLY N N 101 108.940 110.199 -1.259 1 1 1251 . 5 1 1 A 102 102 GLU H H 102 7.801 7.886 -0.085 1 1 1252 . 5 1 1 A 102 102 GLU HA H 102 4.171 4.036 0.135 1 1 1257 . 5 1 1 A 102 102 GLU C C 102 179.084 179.240 -0.156 1 1 1258 . 5 1 1 A 102 102 GLU CA C 102 58.601 59.263 -0.662 1 1 1259 . 5 1 1 A 102 102 GLU CB C 102 29.627 29.186 0.441 1 1 1261 . 5 1 1 A 102 102 GLU N N 102 120.720 121.293 -0.573 1 1 1262 . 5 1 1 A 103 103 GLU H H 103 7.781 8.643 -0.862 1 1 1263 . 5 1 1 A 103 103 GLU HA H 103 3.739 3.786 -0.047 1 1 1268 . 5 1 1 A 103 103 GLU C C 103 178.235 179.000 -0.765 1 1 1269 . 5 1 1 A 103 103 GLU CA C 103 60.366 59.009 1.357 1 1 1270 . 5 1 1 A 103 103 GLU CB C 103 30.491 29.152 1.339 1 1 1272 . 5 1 1 A 103 103 GLU N N 103 119.068 119.419 -0.351 1 1 1273 . 5 1 1 A 104 104 TRP H H 104 8.761 8.823 -0.062 1 1 1274 . 5 1 1 A 104 104 TRP HA H 104 4.171 4.685 -0.514 1 1 1283 . 5 1 1 A 104 104 TRP C C 104 178.817 178.823 -0.006 1 1 1284 . 5 1 1 A 104 104 TRP CA C 104 62.290 60.721 1.569 1 1 1285 . 5 1 1 A 104 104 TRP CB C 104 29.340 29.437 -0.097 1 1 1291 . 5 1 1 A 104 104 TRP N N 104 118.358 121.064 -2.706 1 1 1293 . 5 1 1 A 105 105 ARG H H 105 8.400 8.553 -0.153 1 1 1294 . 5 1 1 A 105 105 ARG HA H 105 3.481 3.678 -0.197 1 1 1302 . 5 1 1 A 105 105 ARG C C 105 177.666 179.046 -1.380 1 1 1303 . 5 1 1 A 105 105 ARG CA C 105 60.666 59.494 1.172 1 1 1304 . 5 1 1 A 105 105 ARG CB C 105 30.162 29.901 0.261 1 1 1307 . 5 1 1 A 105 105 ARG N N 105 117.098 119.665 -2.567 1 1 1309 . 5 1 1 A 106 106 GLY H H 106 8.202 8.606 -0.404 1 1 1310 . 5 1 1 A 106 106 GLY HA2 H 106 3.470 3.505 -0.035 1 1 1311 . 5 1 1 A 106 106 GLY HA3 H 106 3.382 3.560 -0.178 1 1 1312 . 5 1 1 A 106 106 GLY C C 106 176.162 176.105 0.057 1 1 1313 . 5 1 1 A 106 106 GLY CA C 106 47.554 47.244 0.310 1 1 1314 . 5 1 1 A 106 106 GLY N N 106 104.212 106.580 -2.368 1 1 1315 . 5 1 1 A 107 107 PHE H H 107 8.491 8.867 -0.376 1 1 1316 . 5 1 1 A 107 107 PHE HA H 107 3.722 4.457 -0.735 1 1 1324 . 5 1 1 A 107 107 PHE C C 107 177.265 178.054 -0.789 1 1 1325 . 5 1 1 A 107 107 PHE CA C 107 64.284 59.565 4.719 1 1 1326 . 5 1 1 A 107 107 PHE CB C 107 39.209 38.154 1.055 1 1 1332 . 5 1 1 A 107 107 PHE N N 107 122.710 120.552 2.158 1 1 1333 . 5 1 1 A 108 108 ILE H H 108 8.674 9.334 -0.660 1 1 1334 . 5 1 1 A 108 108 ILE HA H 108 3.523 3.696 -0.173 1 1 1344 . 5 1 1 A 108 108 ILE C C 108 178.623 178.043 0.580 1 1 1345 . 5 1 1 A 108 108 ILE CA C 108 66.384 65.177 1.207 1 1 1346 . 5 1 1 A 108 108 ILE CB C 108 37.852 37.875 -0.023 1 1 1350 . 5 1 1 A 108 108 ILE N N 108 117.395 120.224 -2.829 1 1 1351 . 5 1 1 A 109 109 LEU H H 109 8.378 8.328 0.050 1 1 1352 . 5 1 1 A 109 109 LEU HA H 109 4.032 4.325 -0.293 1 1 1362 . 5 1 1 A 109 109 LEU C C 109 178.635 179.675 -1.040 1 1 1363 . 5 1 1 A 109 109 LEU CA C 109 57.878 57.656 0.222 1 1 1364 . 5 1 1 A 109 109 LEU CB C 109 40.854 41.559 -0.705 1 1 1368 . 5 1 1 A 109 109 LEU N N 109 118.573 119.229 -0.656 1 1 1369 . 5 1 1 A 110 110 THR H H 110 7.600 7.714 -0.114 1 1 1370 . 5 1 1 A 110 110 THR HA H 110 4.110 4.537 -0.427 1 1 1375 . 5 1 1 A 110 110 THR C C 110 177.265 175.980 1.285 1 1 1376 . 5 1 1 A 110 110 THR CA C 110 68.325 66.007 2.318 1 1 1377 . 5 1 1 A 110 110 THR CB C 110 68.230 69.076 -0.846 1 1 1379 . 5 1 1 A 110 110 THR N N 110 115.926 115.052 0.874 1 1 1380 . 5 1 1 A 111 111 VAL H H 111 7.490 7.861 -0.371 1 1 1381 . 5 1 1 A 111 111 VAL HA H 111 3.912 4.110 -0.198 1 1 1389 . 5 1 1 A 111 111 VAL C C 111 174.793 176.690 -1.897 1 1 1390 . 5 1 1 A 111 111 VAL CA C 111 64.601 61.150 3.451 1 1 1391 . 5 1 1 A 111 111 VAL CB C 111 32.007 31.581 0.426 1 1 1394 . 5 1 1 A 111 111 VAL N N 111 109.123 115.632 -6.509 1 1 1395 . 5 1 1 A 112 112 THR H H 112 7.410 7.629 -0.219 1 1 1396 . 5 1 1 A 112 112 THR HA H 112 4.494 4.598 -0.104 1 1 1401 . 5 1 1 A 112 112 THR C C 112 177.265 175.502 1.763 1 1 1402 . 5 1 1 A 112 112 THR CA C 112 62.784 62.152 0.632 1 1 1403 . 5 1 1 A 112 112 THR CB C 112 69.290 70.485 -1.195 1 1 1405 . 5 1 1 A 112 112 THR N N 112 107.046 112.308 -5.262 1 1 1406 . 5 1 1 A 113 113 GLU H H 113 8.541 8.473 0.068 1 1 1407 . 5 1 1 A 113 113 GLU HA H 113 4.280 4.306 -0.026 1 1 1412 . 5 1 1 A 113 113 GLU C C 113 176.745 175.874 0.871 1 1 1413 . 5 1 1 A 113 113 GLU CA C 113 57.048 56.401 0.647 1 1 1414 . 5 1 1 A 113 113 GLU CB C 113 29.422 30.399 -0.977 1 1 1416 . 5 1 1 A 113 113 GLU N N 113 120.888 120.064 0.824 1 1 1417 . 5 1 1 A 114 114 LEU H H 114 7.561 7.569 -0.008 1 1 1418 . 5 1 1 A 114 114 LEU HA H 114 4.042 3.792 0.250 1 1 1428 . 5 1 1 A 114 114 LEU C C 114 175.569 175.233 0.336 1 1 1429 . 5 1 1 A 114 114 LEU CA C 114 55.213 56.261 -1.048 1 1 1430 . 5 1 1 A 114 114 LEU CB C 114 38.182 40.150 -1.968 1 1 1434 . 5 1 1 A 114 114 LEU N N 114 114.453 119.267 -4.814 1 1 1435 . 5 1 1 A 115 115 SER H H 115 7.113 7.680 -0.567 1 1 1436 . 5 1 1 A 115 115 SER HA H 115 4.315 4.674 -0.359 1 1 1439 . 5 1 1 A 115 115 SER C C 115 173.521 172.121 1.400 1 1 1440 . 5 1 1 A 115 115 SER CA C 115 57.454 55.743 1.711 1 1 1441 . 5 1 1 A 115 115 SER CB C 115 64.505 65.037 -0.532 1 1 1442 . 5 1 1 A 115 115 SER N N 115 110.010 112.938 -2.928 1 1 1443 . 5 1 1 A 116 116 VAL H H 116 8.635 8.478 0.157 1 1 1444 . 5 1 1 A 116 116 VAL HA H 116 4.210 4.441 -0.231 1 1 1452 . 5 1 1 A 116 116 VAL C C 116 175.024 173.901 1.123 1 1 1453 . 5 1 1 A 116 116 VAL CA C 116 60.948 58.850 2.098 1 1 1454 . 5 1 1 A 116 116 VAL CB C 116 32.177 35.006 -2.829 1 1 1457 . 5 1 1 A 116 116 VAL N N 116 129.442 121.479 7.963 1 1 1458 . 5 1 1 A 117 117 PRO HA H 117 4.381 4.748 -0.367 1 1 1465 . 5 1 1 A 117 117 PRO C C 117 176.478 177.278 -0.800 1 1 1466 . 5 1 1 A 117 117 PRO CA C 117 62.678 62.496 0.182 1 1 1467 . 5 1 1 A 117 117 PRO CB C 117 31.931 31.876 0.055 1 1 1470 . 5 1 1 A 118 118 GLN H H 118 8.576 8.794 -0.218 1 1 1471 . 5 1 1 A 118 118 GLN HA H 118 4.282 4.176 0.106 1 1 1478 . 5 1 1 A 118 118 GLN C C 118 176.575 176.476 0.099 1 1 1479 . 5 1 1 A 118 118 GLN CA C 118 55.866 56.878 -1.012 1 1 1480 . 5 1 1 A 118 118 GLN CB C 118 29.704 28.870 0.834 1 1 1482 . 5 1 1 A 118 118 GLN N N 118 118.498 121.142 -2.644 1 1 1484 . 5 1 1 A 119 119 ASN H H 119 8.444 7.676 0.768 1 1 1485 . 5 1 1 A 119 119 ASN HA H 119 4.727 4.840 -0.113 1 1 1490 . 5 1 1 A 119 119 ASN C C 119 174.842 173.694 1.148 1 1 1491 . 5 1 1 A 119 119 ASN CA C 119 52.812 52.620 0.192 1 1 1492 . 5 1 1 A 119 119 ASN CB C 119 37.071 36.742 0.329 1 1 1493 . 5 1 1 A 119 119 ASN N N 119 117.223 116.631 0.592 1 1 1495 . 5 1 1 A 120 120 VAL H H 120 7.182 7.574 -0.392 1 1 1496 . 5 1 1 A 120 120 VAL HA H 120 4.381 4.744 -0.363 1 1 1504 . 5 1 1 A 120 120 VAL C C 120 175.484 175.512 -0.028 1 1 1505 . 5 1 1 A 120 120 VAL CA C 120 60.048 59.358 0.690 1 1 1506 . 5 1 1 A 120 120 VAL CB C 120 34.028 35.234 -1.206 1 1 1509 . 5 1 1 A 120 120 VAL N N 120 114.038 117.746 -3.708 1 1 1510 . 5 1 1 A 121 121 SER H H 121 9.313 8.577 0.736 1 1 1511 . 5 1 1 A 121 121 SER HA H 121 4.552 4.514 0.038 1 1 1514 . 5 1 1 A 121 121 SER C C 121 173.096 174.591 -1.495 1 1 1515 . 5 1 1 A 121 121 SER CA C 121 57.119 58.982 -1.863 1 1 1516 . 5 1 1 A 121 121 SER CB C 121 62.528 63.919 -1.391 1 1 1517 . 5 1 1 A 121 121 SER N N 121 122.117 117.480 4.637 1 1 1518 . 5 1 1 A 122 122 LEU H H 122 7.470 7.360 0.110 1 1 1519 . 5 1 1 A 122 122 LEU HA H 122 4.618 4.184 0.434 1 1 1529 . 5 1 1 A 122 122 LEU C C 122 176.526 176.827 -0.301 1 1 1530 . 5 1 1 A 122 122 LEU CA C 122 52.795 55.124 -2.329 1 1 1531 . 5 1 1 A 122 122 LEU CB C 122 45.790 42.135 3.655 1 1 1535 . 5 1 1 A 122 122 LEU N N 122 122.878 124.368 -1.490 1 1 1536 . 5 1 1 A 123 123 LEU H H 123 8.765 8.349 0.416 1 1 1537 . 5 1 1 A 123 123 LEU HA H 123 4.574 4.721 -0.147 1 1 1547 . 5 1 1 A 123 123 LEU C C 123 176.769 177.169 -0.400 1 1 1548 . 5 1 1 A 123 123 LEU CA C 123 53.748 52.465 1.283 1 1 1549 . 5 1 1 A 123 123 LEU CB C 123 40.649 43.111 -2.462 1 1 1553 . 5 1 1 A 123 123 LEU N N 123 122.054 121.769 0.285 1 1 1554 . 5 1 1 A 124 124 PRO HA H 124 4.232 4.461 -0.229 1 1 1561 . 5 1 1 A 124 124 PRO CA C 124 66.281 64.313 1.968 1 1 1562 . 5 1 1 A 124 124 PRO CB C 124 31.945 31.842 0.103 1 1 1565 . 5 1 1 A 125 125 GLY HA2 H 125 3.901 3.876 0.025 1 1 1566 . 5 1 1 A 125 125 GLY HA3 H 125 3.901 3.877 0.024 1 1 1567 . 5 1 1 A 125 125 GLY C C 125 176.696 175.039 1.657 1 1 1568 . 5 1 1 A 125 125 GLY CA C 125 46.724 46.270 0.454 1 1 1569 . 5 1 1 A 126 126 GLN H H 126 7.495 7.888 -0.393 1 1 1570 . 5 1 1 A 126 126 GLN HA H 126 4.261 4.238 0.023 1 1 1577 . 5 1 1 A 126 126 GLN C C 126 178.235 177.813 0.422 1 1 1578 . 5 1 1 A 126 126 GLN CA C 126 57.807 58.261 -0.454 1 1 1579 . 5 1 1 A 126 126 GLN CB C 126 30.039 29.380 0.659 1 1 1581 . 5 1 1 A 126 126 GLN N N 126 120.404 120.068 0.336 1 1 1583 . 5 1 1 A 127 127 VAL H H 127 7.839 8.005 -0.166 1 1 1584 . 5 1 1 A 127 127 VAL HA H 127 3.360 3.459 -0.099 1 1 1592 . 5 1 1 A 127 127 VAL C C 127 178.441 177.890 0.551 1 1 1593 . 5 1 1 A 127 127 VAL CA C 127 67.231 66.330 0.901 1 1 1594 . 5 1 1 A 127 127 VAL CB C 127 31.948 31.270 0.678 1 1 1597 . 5 1 1 A 127 127 VAL N N 127 121.180 119.843 1.337 1 1 1598 . 5 1 1 A 128 128 ILE H H 128 7.725 7.702 0.023 1 1 1599 . 5 1 1 A 128 128 ILE HA H 128 3.820 3.620 0.200 1 1 1609 . 5 1 1 A 128 128 ILE C C 128 178.599 177.976 0.623 1 1 1610 . 5 1 1 A 128 128 ILE CA C 128 64.978 65.605 -0.627 1 1 1611 . 5 1 1 A 128 128 ILE CB C 128 37.976 37.815 0.161 1 1 1615 . 5 1 1 A 128 128 ILE N N 128 119.369 120.407 -1.038 1 1 1616 . 5 1 1 A 129 129 LYS H H 129 7.204 7.657 -0.453 1 1 1617 . 5 1 1 A 129 129 LYS HA H 129 4.241 3.960 0.281 1 1 1626 . 5 1 1 A 129 129 LYS C C 129 178.902 179.122 -0.220 1 1 1627 . 5 1 1 A 129 129 LYS CA C 129 58.690 59.471 -0.781 1 1 1628 . 5 1 1 A 129 129 LYS CB C 129 31.725 32.272 -0.547 1 1 1632 . 5 1 1 A 129 129 LYS N N 129 119.356 118.848 0.508 1 1 1633 . 5 1 1 A 130 130 LEU H H 130 7.750 7.816 -0.066 1 1 1634 . 5 1 1 A 130 130 LEU HA H 130 3.649 3.815 -0.166 1 1 1644 . 5 1 1 A 130 130 LEU C C 130 178.756 179.131 -0.375 1 1 1645 . 5 1 1 A 130 130 LEU CA C 130 57.913 57.769 0.144 1 1 1646 . 5 1 1 A 130 130 LEU CB C 130 40.197 41.272 -1.075 1 1 1650 . 5 1 1 A 130 130 LEU N N 130 118.271 119.744 -1.473 1 1 1651 . 5 1 1 A 131 131 HIS H H 131 7.732 7.924 -0.192 1 1 1652 . 5 1 1 A 131 131 HIS HA H 131 3.918 4.169 -0.251 1 1 1657 . 5 1 1 A 131 131 HIS C C 131 178.392 177.656 0.736 1 1 1658 . 5 1 1 A 131 131 HIS CA C 131 61.019 59.620 1.399 1 1 1659 . 5 1 1 A 131 131 HIS CB C 131 29.951 29.743 0.208 1 1 1662 . 5 1 1 A 131 131 HIS N N 131 117.308 117.211 0.097 1 1 1663 . 5 1 1 A 132 132 GLU H H 132 8.030 8.962 -0.932 1 1 1664 . 5 1 1 A 132 132 GLU HA H 132 4.097 3.944 0.153 1 1 1669 . 5 1 1 A 132 132 GLU C C 132 179.907 179.295 0.612 1 1 1670 . 5 1 1 A 132 132 GLU CA C 132 59.660 59.430 0.230 1 1 1671 . 5 1 1 A 132 132 GLU CB C 132 29.627 29.335 0.292 1 1 1673 . 5 1 1 A 132 132 GLU N N 132 121.443 119.070 2.373 1 1 1674 . 5 1 1 A 133 133 VAL H H 133 8.250 8.963 -0.713 1 1 1675 . 5 1 1 A 133 133 VAL HA H 133 3.352 3.325 0.027 1 1 1683 . 5 1 1 A 133 133 VAL C C 133 176.575 177.930 -1.355 1 1 1684 . 5 1 1 A 133 133 VAL CA C 133 66.367 66.455 -0.088 1 1 1685 . 5 1 1 A 133 133 VAL CB C 133 31.203 31.239 -0.036 1 1 1688 . 5 1 1 A 133 133 VAL N N 133 121.281 120.390 0.891 1 1 1689 . 5 1 1 A 134 134 LEU H H 134 8.259 8.465 -0.206 1 1 1690 . 5 1 1 A 134 134 LEU HA H 134 3.645 3.787 -0.142 1 1 1700 . 5 1 1 A 134 134 LEU C C 134 177.980 178.089 -0.109 1 1 1701 . 5 1 1 A 134 134 LEU CA C 134 58.154 58.739 -0.585 1 1 1702 . 5 1 1 A 134 134 LEU CB C 134 40.320 41.825 -1.505 1 1 1706 . 5 1 1 A 134 134 LEU N N 134 120.134 120.484 -0.350 1 1 1707 . 5 1 1 A 135 135 GLU H H 135 7.611 8.147 -0.536 1 1 1708 . 5 1 1 A 135 135 GLU HA H 135 3.972 3.957 0.015 1 1 1713 . 5 1 1 A 135 135 GLU C C 135 179.834 179.523 0.311 1 1 1714 . 5 1 1 A 135 135 GLU CA C 135 59.325 59.822 -0.497 1 1 1715 . 5 1 1 A 135 135 GLU CB C 135 29.134 29.195 -0.061 1 1 1717 . 5 1 1 A 135 135 GLU N N 135 116.026 117.793 -1.767 1 1 1718 . 5 1 1 A 136 136 ARG H H 136 7.789 8.499 -0.710 1 1 1719 . 5 1 1 A 136 136 ARG HA H 136 4.140 4.088 0.052 1 1 1726 . 5 1 1 A 136 136 ARG C C 136 179.083 178.097 0.986 1 1 1727 . 5 1 1 A 136 136 ARG CA C 136 59.131 59.591 -0.460 1 1 1728 . 5 1 1 A 136 136 ARG CB C 136 30.368 30.158 0.210 1 1 1731 . 5 1 1 A 136 136 ARG N N 136 119.681 119.987 -0.306 1 1 1732 . 5 1 1 A 137 137 GLU H H 137 9.238 8.207 1.031 1 1 1733 . 5 1 1 A 137 137 GLU HA H 137 4.637 4.193 0.444 1 1 1738 . 5 1 1 A 137 137 GLU C C 137 178.817 178.852 -0.035 1 1 1739 . 5 1 1 A 137 137 GLU CA C 137 58.036 58.986 -0.950 1 1 1740 . 5 1 1 A 137 137 GLU CB C 137 28.147 29.535 -1.388 1 1 1742 . 5 1 1 A 137 137 GLU N N 137 124.333 119.319 5.014 1 1 1743 . 5 1 1 A 138 138 LYS H H 138 8.788 8.349 0.439 1 1 1744 . 5 1 1 A 138 138 LYS HA H 138 3.899 3.974 -0.075 1 1 1753 . 5 1 1 A 138 138 LYS C C 138 179.944 179.069 0.875 1 1 1754 . 5 1 1 A 138 138 LYS CA C 138 60.754 59.595 1.159 1 1 1755 . 5 1 1 A 138 138 LYS CB C 138 32.789 32.352 0.437 1 1 1759 . 5 1 1 A 138 138 LYS N N 138 119.622 117.933 1.689 1 1 1760 . 5 1 1 A 139 139 LYS H H 139 7.313 7.783 -0.470 1 1 1761 . 5 1 1 A 139 139 LYS HA H 139 4.070 4.042 0.028 1 1 1770 . 5 1 1 A 139 139 LYS C C 139 178.235 179.398 -1.163 1 1 1771 . 5 1 1 A 139 139 LYS CA C 139 59.166 59.626 -0.460 1 1 1772 . 5 1 1 A 139 139 LYS CB C 139 32.424 32.260 0.164 1 1 1776 . 5 1 1 A 139 139 LYS N N 139 117.326 119.862 -2.536 1 1 1777 . 5 1 1 A 140 140 ARG H H 140 8.344 8.411 -0.067 1 1 1778 . 5 1 1 A 140 140 ARG HA H 140 4.080 4.137 -0.057 1 1 1786 . 5 1 1 A 140 140 ARG C C 140 179.531 179.071 0.460 1 1 1787 . 5 1 1 A 140 140 ARG CA C 140 59.184 58.346 0.838 1 1 1788 . 5 1 1 A 140 140 ARG CB C 140 31.190 29.994 1.196 1 1 1791 . 5 1 1 A 140 140 ARG N N 140 121.404 119.880 1.524 1 1 1793 . 5 1 1 A 141 141 ARG H H 141 8.171 8.959 -0.788 1 1 1794 . 5 1 1 A 141 141 ARG HA H 141 4.034 4.419 -0.385 1 1 1802 . 5 1 1 A 141 141 ARG C C 141 178.671 178.671 0.000 1 1 1803 . 5 1 1 A 141 141 ARG CA C 141 58.337 58.790 -0.453 1 1 1804 . 5 1 1 A 141 141 ARG CB C 141 30.327 29.367 0.960 1 1 1807 . 5 1 1 A 141 141 ARG N N 141 115.667 118.114 -2.447 1 1 1809 . 5 1 1 A 142 142 ILE H H 142 7.521 8.477 -0.956 1 1 1810 . 5 1 1 A 142 142 ILE HA H 142 4.074 3.665 0.409 1 1 1820 . 5 1 1 A 142 142 ILE C C 142 177.787 177.929 -0.142 1 1 1821 . 5 1 1 A 142 142 ILE CA C 142 63.178 64.982 -1.804 1 1 1822 . 5 1 1 A 142 142 ILE CB C 142 38.346 37.670 0.676 1 1 1826 . 5 1 1 A 142 142 ILE N N 142 118.031 121.717 -3.686 1 1 1827 . 5 1 1 A 143 143 GLU H H 143 8.041 8.196 -0.155 1 1 1828 . 5 1 1 A 143 143 GLU HA H 143 4.251 4.063 0.188 1 1 1833 . 5 1 1 A 143 143 GLU C C 143 177.217 177.537 -0.320 1 1 1834 . 5 1 1 A 143 143 GLU CA C 143 57.595 59.672 -2.077 1 1 1835 . 5 1 1 A 143 143 GLU CB C 143 29.998 29.610 0.388 1 1 1837 . 5 1 1 A 143 143 GLU N N 143 120.963 120.677 0.286 1 1 1838 . 5 1 1 A 144 144 SER H H 144 8.041 7.935 0.106 1 1 1839 . 5 1 1 A 144 144 SER HA H 144 4.538 5.144 -0.606 1 1 1842 . 5 1 1 A 144 144 SER C C 144 174.721 174.711 0.010 1 1 1843 . 5 1 1 A 144 144 SER CA C 144 58.801 57.603 1.198 1 1 1844 . 5 1 1 A 144 144 SER CB C 144 64.126 65.194 -1.068 1 1 1845 . 5 1 1 A 144 144 SER N N 144 114.646 114.143 0.503 1 1 1846 . 5 1 1 A 145 145 GLY H H 145 7.982 8.107 -0.125 1 1 1847 . 5 1 1 A 145 145 GLY HA2 H 145 4.102 4.166 -0.064 1 1 1848 . 5 1 1 A 145 145 GLY HA3 H 145 4.231 4.167 0.064 1 1 1849 . 5 1 1 A 145 145 GLY C C 145 171.800 171.075 0.725 1 1 1850 . 5 1 1 A 145 145 GLY CA C 145 44.854 45.496 -0.642 1 1 1851 . 5 1 1 A 145 145 GLY N N 145 110.299 111.435 -1.136 1 1 1852 . 5 1 1 A 146 146 PRO HA H 146 4.510 4.260 0.250 1 1 1859 . 5 1 1 A 146 146 PRO C C 146 177.496 177.133 0.363 1 1 1860 . 5 1 1 A 146 146 PRO CA C 146 63.313 63.598 -0.285 1 1 1861 . 5 1 1 A 146 146 PRO CB C 146 32.177 31.607 0.570 1 1 1864 . 5 1 1 A 147 147 SER H H 147 8.530 8.666 -0.136 1 1 1865 . 5 1 1 A 147 147 SER C C 147 174.721 172.898 1.823 1 1 1866 . 5 1 1 A 147 147 SER CA C 147 58.390 59.474 -1.084 1 1 1867 . 5 1 1 A 147 147 SER CB C 147 63.803 62.316 1.487 1 1 1868 . 5 1 1 A 147 147 SER N N 147 116.436 117.753 -1.317 1 1 1869 . 5 1 1 A 148 148 SER H H 148 8.348 8.424 -0.076 1 1 1870 . 5 1 1 A 148 148 SER C C 148 173.957 175.120 -1.163 1 1 1871 . 5 1 1 A 148 148 SER CA C 148 58.372 56.893 1.479 1 1 1872 . 5 1 1 A 148 148 SER CB C 148 64.008 64.551 -0.543 1 1 1 . 6 1 1 A 8 8 GLN HA H 8 4.221 3.914 0.307 1 1 8 . 6 1 1 A 8 8 GLN CA C 8 56.851 58.209 -1.358 1 1 9 . 6 1 1 A 8 8 GLN CB C 8 28.887 27.267 1.620 1 1 12 . 6 1 1 A 9 9 GLU H H 9 8.480 8.290 0.190 1 1 13 . 6 1 1 A 9 9 GLU HA H 9 4.166 4.695 -0.529 1 1 18 . 6 1 1 A 9 9 GLU CA C 9 58.333 55.069 3.264 1 1 19 . 6 1 1 A 9 9 GLU CB C 9 29.545 31.584 -2.039 1 1 21 . 6 1 1 A 9 9 GLU N N 9 121.149 118.667 2.482 1 1 22 . 6 1 1 A 10 10 ARG H H 10 8.336 8.574 -0.238 1 1 23 . 6 1 1 A 10 10 ARG HA H 10 4.131 4.517 -0.386 1 1 30 . 6 1 1 A 10 10 ARG C C 10 177.350 175.897 1.453 1 1 31 . 6 1 1 A 10 10 ARG CA C 10 57.731 56.518 1.213 1 1 32 . 6 1 1 A 10 10 ARG CB C 10 30.061 32.552 -2.491 1 1 35 . 6 1 1 A 10 10 ARG N N 10 120.177 121.041 -0.864 1 1 36 . 6 1 1 A 11 11 LEU H H 11 7.741 7.954 -0.213 1 1 37 . 6 1 1 A 11 11 LEU HA H 11 4.219 3.969 0.250 1 1 44 . 6 1 1 A 11 11 LEU CA C 11 56.781 55.271 1.510 1 1 45 . 6 1 1 A 11 11 LEU CB C 11 41.875 40.817 1.058 1 1 49 . 6 1 1 A 11 11 LEU N N 11 120.410 117.821 2.589 1 1 50 . 6 1 1 A 12 12 LYS H H 12 7.816 8.057 -0.241 1 1 51 . 6 1 1 A 12 12 LYS HA H 12 4.091 4.911 -0.820 1 1 60 . 6 1 1 A 12 12 LYS CA C 12 58.234 54.507 3.727 1 1 61 . 6 1 1 A 12 12 LYS CB C 12 32.530 35.272 -2.742 1 1 65 . 6 1 1 A 12 12 LYS N N 12 119.365 123.243 -3.878 1 1 66 . 6 1 1 A 13 13 ILE H H 13 7.851 8.622 -0.771 1 1 67 . 6 1 1 A 13 13 ILE HA H 13 3.951 4.169 -0.218 1 1 77 . 6 1 1 A 13 13 ILE C C 13 176.914 176.155 0.759 1 1 78 . 6 1 1 A 13 13 ILE CA C 13 62.713 60.678 2.035 1 1 79 . 6 1 1 A 13 13 ILE CB C 13 38.264 38.151 0.113 1 1 83 . 6 1 1 A 14 14 THR H H 14 7.750 8.552 -0.802 1 1 84 . 6 1 1 A 14 14 THR HA H 14 4.021 3.977 0.044 1 1 88 . 6 1 1 A 14 14 THR C C 14 174.818 173.317 1.501 1 1 89 . 6 1 1 A 14 14 THR CA C 14 63.172 62.216 0.956 1 1 90 . 6 1 1 A 14 14 THR CB C 14 68.985 67.601 1.384 1 1 92 . 6 1 1 A 14 14 THR N N 14 110.999 115.906 -4.907 1 1 93 . 6 1 1 A 15 15 ALA H H 15 7.922 7.846 0.076 1 1 94 . 6 1 1 A 15 15 ALA HA H 15 4.141 4.897 -0.756 1 1 98 . 6 1 1 A 15 15 ALA C C 15 177.593 176.046 1.547 1 1 99 . 6 1 1 A 15 15 ALA CA C 15 53.007 50.965 2.042 1 1 100 . 6 1 1 A 15 15 ALA CB C 15 18.747 22.554 -3.807 1 1 101 . 6 1 1 A 15 15 ALA N N 15 122.429 125.921 -3.492 1 1 102 . 6 1 1 A 16 16 LEU H H 16 7.442 8.514 -1.072 1 1 103 . 6 1 1 A 16 16 LEU HA H 16 4.653 4.291 0.362 1 1 112 . 6 1 1 A 16 16 LEU C C 16 173.182 174.843 -1.661 1 1 113 . 6 1 1 A 16 16 LEU CA C 16 51.524 53.924 -2.400 1 1 114 . 6 1 1 A 16 16 LEU CB C 16 45.831 41.455 4.376 1 1 118 . 6 1 1 A 16 16 LEU N N 16 120.226 124.251 -4.025 1 1 119 . 6 1 1 A 17 17 PRO HA H 17 4.140 4.680 -0.540 1 1 126 . 6 1 1 A 17 17 PRO C C 17 174.296 176.136 -1.840 1 1 127 . 6 1 1 A 17 17 PRO CA C 17 62.007 62.259 -0.252 1 1 128 . 6 1 1 A 17 17 PRO CB C 17 32.013 31.861 0.152 1 1 131 . 6 1 1 A 18 18 LEU H H 18 8.071 8.201 -0.130 1 1 132 . 6 1 1 A 18 18 LEU HA H 18 4.097 4.046 0.051 1 1 142 . 6 1 1 A 18 18 LEU C C 18 176.974 175.309 1.665 1 1 143 . 6 1 1 A 18 18 LEU CA C 18 55.043 55.207 -0.164 1 1 144 . 6 1 1 A 18 18 LEU CB C 18 42.376 42.559 -0.183 1 1 148 . 6 1 1 A 18 18 LEU N N 18 119.963 123.586 -3.623 1 1 149 . 6 1 1 A 19 19 TYR H H 19 9.108 8.803 0.305 1 1 150 . 6 1 1 A 19 19 TYR HA H 19 5.121 4.716 0.405 1 1 157 . 6 1 1 A 19 19 TYR C C 19 174.515 175.553 -1.038 1 1 158 . 6 1 1 A 19 19 TYR CA C 19 55.160 59.109 -3.949 1 1 159 . 6 1 1 A 19 19 TYR CB C 19 39.292 40.565 -1.273 1 1 164 . 6 1 1 A 19 19 TYR N N 19 127.955 122.450 5.505 1 1 165 . 6 1 1 A 20 20 PHE H H 20 7.560 6.972 0.588 1 1 166 . 6 1 1 A 20 20 PHE HA H 20 4.281 4.499 -0.218 1 1 174 . 6 1 1 A 20 20 PHE C C 20 171.170 172.978 -1.808 1 1 175 . 6 1 1 A 20 20 PHE CA C 20 57.031 57.207 -0.176 1 1 176 . 6 1 1 A 20 20 PHE CB C 20 40.937 41.764 -0.827 1 1 182 . 6 1 1 A 20 20 PHE N N 20 115.328 116.195 -0.867 1 1 183 . 6 1 1 A 21 21 GLU H H 21 5.556 8.233 -2.677 1 1 184 . 6 1 1 A 21 21 GLU HA H 21 5.191 4.878 0.313 1 1 189 . 6 1 1 A 21 21 GLU C C 21 173.024 174.204 -1.180 1 1 190 . 6 1 1 A 21 21 GLU CA C 21 53.025 53.829 -0.804 1 1 191 . 6 1 1 A 21 21 GLU CB C 21 31.760 33.458 -1.698 1 1 193 . 6 1 1 A 21 21 GLU N N 21 118.643 122.095 -3.452 1 1 194 . 6 1 1 A 22 22 GLY H H 22 7.721 7.606 0.115 1 1 195 . 6 1 1 A 22 22 GLY HA2 H 22 4.024 3.778 0.246 1 1 196 . 6 1 1 A 22 22 GLY HA3 H 22 3.107 3.987 -0.880 1 1 197 . 6 1 1 A 22 22 GLY C C 22 171.994 171.987 0.007 1 1 198 . 6 1 1 A 22 22 GLY CA C 22 45.013 45.407 -0.394 1 1 199 . 6 1 1 A 22 22 GLY N N 22 106.155 105.977 0.178 1 1 200 . 6 1 1 A 23 23 PHE H H 23 8.881 8.379 0.502 1 1 201 . 6 1 1 A 23 23 PHE HA H 23 5.303 4.571 0.732 1 1 209 . 6 1 1 A 23 23 PHE C C 23 176.926 175.108 1.818 1 1 210 . 6 1 1 A 23 23 PHE CA C 23 60.013 59.579 0.434 1 1 211 . 6 1 1 A 23 23 PHE CB C 23 40.937 39.126 1.811 1 1 217 . 6 1 1 A 23 23 PHE N N 23 119.442 120.882 -1.440 1 1 218 . 6 1 1 A 24 24 LEU H H 24 9.072 8.737 0.335 1 1 219 . 6 1 1 A 24 24 LEU HA H 24 4.562 5.041 -0.479 1 1 229 . 6 1 1 A 24 24 LEU C C 24 174.406 174.588 -0.182 1 1 230 . 6 1 1 A 24 24 LEU CA C 24 54.437 53.365 1.072 1 1 231 . 6 1 1 A 24 24 LEU CB C 24 48.381 45.663 2.718 1 1 235 . 6 1 1 A 24 24 LEU N N 24 122.488 126.095 -3.607 1 1 236 . 6 1 1 A 25 25 LEU H H 25 8.120 8.187 -0.067 1 1 237 . 6 1 1 A 25 25 LEU HA H 25 5.480 5.215 0.265 1 1 247 . 6 1 1 A 25 25 LEU C C 25 176.175 175.226 0.949 1 1 248 . 6 1 1 A 25 25 LEU CA C 25 54.242 53.426 0.816 1 1 249 . 6 1 1 A 25 25 LEU CB C 25 42.576 43.377 -0.801 1 1 253 . 6 1 1 A 25 25 LEU N N 25 120.790 124.778 -3.988 1 1 254 . 6 1 1 A 26 26 ILE H H 26 9.110 8.512 0.598 1 1 255 . 6 1 1 A 26 26 ILE HA H 26 5.232 4.592 0.640 1 1 265 . 6 1 1 A 26 26 ILE C C 26 174.757 174.142 0.615 1 1 266 . 6 1 1 A 26 26 ILE CA C 26 57.613 59.625 -2.012 1 1 267 . 6 1 1 A 26 26 ILE CB C 26 41.343 39.665 1.678 1 1 271 . 6 1 1 A 26 26 ILE N N 26 120.679 125.165 -4.486 1 1 272 . 6 1 1 A 27 27 LYS H H 27 9.150 8.588 0.562 1 1 273 . 6 1 1 A 27 27 LYS HA H 27 4.425 3.846 0.579 1 1 282 . 6 1 1 A 27 27 LYS C C 27 175.557 175.432 0.125 1 1 283 . 6 1 1 A 27 27 LYS CA C 27 56.095 54.396 1.699 1 1 284 . 6 1 1 A 27 27 LYS CB C 27 35.056 32.176 2.880 1 1 288 . 6 1 1 A 27 27 LYS N N 27 127.778 129.138 -1.360 1 1 289 . 6 1 1 A 28 28 ARG H H 28 5.868 8.023 -2.155 1 1 290 . 6 1 1 A 28 28 ARG HA H 28 4.429 4.382 0.047 1 1 298 . 6 1 1 A 28 28 ARG C C 28 176.078 177.573 -1.495 1 1 299 . 6 1 1 A 28 28 ARG CA C 28 54.542 55.941 -1.399 1 1 300 . 6 1 1 A 28 28 ARG CB C 28 31.602 31.283 0.319 1 1 303 . 6 1 1 A 28 28 ARG N N 28 124.548 126.913 -2.365 1 1 305 . 6 1 1 A 29 29 SER H H 29 9.067 8.850 0.217 1 1 306 . 6 1 1 A 29 29 SER HA H 29 4.181 4.026 0.155 1 1 309 . 6 1 1 A 29 29 SER C C 29 176.066 177.324 -1.258 1 1 310 . 6 1 1 A 29 29 SER CA C 29 61.019 62.424 -1.405 1 1 311 . 6 1 1 A 29 29 SER CB C 29 63.057 62.990 0.067 1 1 312 . 6 1 1 A 29 29 SER N N 29 116.823 116.064 0.759 1 1 313 . 6 1 1 A 30 30 GLY HA2 H 30 3.810 3.779 0.031 1 1 314 . 6 1 1 A 30 30 GLY HA3 H 30 4.172 3.802 0.370 1 1 315 . 6 1 1 A 30 30 GLY CA C 30 45.171 44.667 0.504 1 1 316 . 6 1 1 A 31 31 TYR H H 31 8.001 8.338 -0.337 1 1 317 . 6 1 1 A 31 31 TYR HA H 31 4.729 4.105 0.624 1 1 324 . 6 1 1 A 31 31 TYR CB C 31 37.249 37.278 -0.029 1 1 329 . 6 1 1 A 31 31 TYR N N 31 121.120 120.308 0.812 1 1 330 . 6 1 1 A 32 32 ARG HA H 32 4.204 3.912 0.292 1 1 337 . 6 1 1 A 32 32 ARG C C 32 176.066 174.693 1.373 1 1 338 . 6 1 1 A 32 32 ARG CA C 32 57.631 57.597 0.034 1 1 339 . 6 1 1 A 32 32 ARG CB C 32 30.861 29.922 0.939 1 1 342 . 6 1 1 A 33 33 GLU H H 33 7.700 7.550 0.150 1 1 343 . 6 1 1 A 33 33 GLU HA H 33 4.600 4.564 0.036 1 1 348 . 6 1 1 A 33 33 GLU C C 33 175.569 174.356 1.213 1 1 349 . 6 1 1 A 33 33 GLU CA C 33 53.695 55.244 -1.549 1 1 350 . 6 1 1 A 33 33 GLU CB C 33 33.000 32.724 0.276 1 1 352 . 6 1 1 A 33 33 GLU N N 33 115.988 114.693 1.295 1 1 353 . 6 1 1 A 34 34 TYR H H 34 8.755 8.593 0.162 1 1 354 . 6 1 1 A 34 34 TYR HA H 34 4.311 4.271 0.040 1 1 361 . 6 1 1 A 34 34 TYR C C 34 176.999 175.937 1.062 1 1 362 . 6 1 1 A 34 34 TYR CA C 34 59.537 59.638 -0.101 1 1 363 . 6 1 1 A 34 34 TYR CB C 34 39.744 38.609 1.135 1 1 368 . 6 1 1 A 34 34 TYR N N 34 118.663 123.237 -4.574 1 1 369 . 6 1 1 A 35 35 GLU H H 35 9.024 8.261 0.763 1 1 370 . 6 1 1 A 35 35 GLU HA H 35 4.401 4.682 -0.281 1 1 375 . 6 1 1 A 35 35 GLU C C 35 174.406 175.874 -1.468 1 1 376 . 6 1 1 A 35 35 GLU CA C 35 54.330 54.862 -0.532 1 1 377 . 6 1 1 A 35 35 GLU CB C 35 31.972 32.365 -0.393 1 1 379 . 6 1 1 A 35 35 GLU N N 35 122.488 123.960 -1.472 1 1 380 . 6 1 1 A 36 36 HIS H H 36 8.639 8.694 -0.055 1 1 381 . 6 1 1 A 36 36 HIS HA H 36 4.980 4.844 0.136 1 1 386 . 6 1 1 A 36 36 HIS C C 36 174.127 174.803 -0.676 1 1 387 . 6 1 1 A 36 36 HIS CA C 36 55.607 55.413 0.194 1 1 388 . 6 1 1 A 36 36 HIS CB C 36 31.396 30.329 1.067 1 1 391 . 6 1 1 A 36 36 HIS N N 36 123.767 120.715 3.052 1 1 392 . 6 1 1 A 37 37 TYR H H 37 8.931 8.963 -0.032 1 1 393 . 6 1 1 A 37 37 TYR HA H 37 5.668 5.012 0.656 1 1 400 . 6 1 1 A 37 37 TYR C C 37 177.969 174.940 3.029 1 1 401 . 6 1 1 A 37 37 TYR CA C 37 55.407 57.000 -1.593 1 1 402 . 6 1 1 A 37 37 TYR CB C 37 42.089 42.467 -0.378 1 1 407 . 6 1 1 A 37 37 TYR N N 37 124.075 120.554 3.521 1 1 408 . 6 1 1 A 38 38 TRP H H 38 8.931 9.741 -0.810 1 1 409 . 6 1 1 A 38 38 TRP HA H 38 4.329 5.090 -0.761 1 1 418 . 6 1 1 A 38 38 TRP C C 38 174.345 175.334 -0.989 1 1 419 . 6 1 1 A 38 38 TRP CA C 38 58.230 56.339 1.891 1 1 420 . 6 1 1 A 38 38 TRP CB C 38 28.846 29.176 -0.330 1 1 426 . 6 1 1 A 38 38 TRP N N 38 125.317 126.682 -1.365 1 1 428 . 6 1 1 A 39 39 THR H H 39 8.366 8.912 -0.546 1 1 429 . 6 1 1 A 39 39 THR HA H 39 5.535 5.013 0.522 1 1 434 . 6 1 1 A 39 39 THR C C 39 173.303 174.292 -0.989 1 1 435 . 6 1 1 A 39 39 THR CA C 39 62.037 63.312 -1.275 1 1 436 . 6 1 1 A 39 39 THR CB C 39 70.295 69.807 0.488 1 1 438 . 6 1 1 A 39 39 THR N N 39 127.024 122.278 4.746 1 1 439 . 6 1 1 A 40 40 GLU H H 40 8.902 10.084 -1.182 1 1 440 . 6 1 1 A 40 40 GLU HA H 40 4.816 4.831 -0.015 1 1 445 . 6 1 1 A 40 40 GLU C C 40 175.351 174.812 0.539 1 1 446 . 6 1 1 A 40 40 GLU CA C 40 53.607 54.858 -1.251 1 1 447 . 6 1 1 A 40 40 GLU CB C 40 34.639 33.133 1.506 1 1 449 . 6 1 1 A 40 40 GLU N N 40 120.613 125.973 -5.360 1 1 450 . 6 1 1 A 41 41 LEU H H 41 8.910 9.011 -0.101 1 1 451 . 6 1 1 A 41 41 LEU HA H 41 5.168 5.182 -0.014 1 1 461 . 6 1 1 A 41 41 LEU C C 41 174.806 175.014 -0.208 1 1 462 . 6 1 1 A 41 41 LEU CA C 41 53.872 54.542 -0.670 1 1 463 . 6 1 1 A 41 41 LEU CB C 41 43.610 43.227 0.383 1 1 467 . 6 1 1 A 41 41 LEU N N 41 123.682 127.727 -4.045 1 1 468 . 6 1 1 A 42 42 ARG H H 42 9.150 8.329 0.821 1 1 469 . 6 1 1 A 42 42 ARG HA H 42 5.182 4.352 0.830 1 1 474 . 6 1 1 A 42 42 ARG C C 42 176.272 176.375 -0.103 1 1 475 . 6 1 1 A 42 42 ARG CA C 42 53.643 54.737 -1.094 1 1 476 . 6 1 1 A 42 42 ARG CB C 42 33.205 33.370 -0.165 1 1 479 . 6 1 1 A 42 42 ARG N N 42 127.645 125.705 1.940 1 1 480 . 6 1 1 A 43 43 GLY H H 43 6.304 7.950 -1.646 1 1 481 . 6 1 1 A 43 43 GLY HA2 H 43 3.917 3.905 0.012 1 1 482 . 6 1 1 A 43 43 GLY HA3 H 43 3.812 4.075 -0.263 1 1 483 . 6 1 1 A 43 43 GLY C C 43 171.630 174.692 -3.062 1 1 484 . 6 1 1 A 43 43 GLY CA C 43 47.025 47.381 -0.356 1 1 485 . 6 1 1 A 43 43 GLY N N 43 112.565 113.226 -0.661 1 1 486 . 6 1 1 A 44 44 THR H H 44 7.841 8.388 -0.547 1 1 487 . 6 1 1 A 44 44 THR HA H 44 4.313 4.732 -0.419 1 1 492 . 6 1 1 A 44 44 THR C C 44 172.515 173.436 -0.921 1 1 493 . 6 1 1 A 44 44 THR CA C 44 60.207 60.759 -0.552 1 1 494 . 6 1 1 A 44 44 THR CB C 44 68.320 69.584 -1.264 1 1 496 . 6 1 1 A 44 44 THR N N 44 111.769 117.913 -6.144 1 1 497 . 6 1 1 A 45 45 THR H H 45 8.500 7.783 0.717 1 1 498 . 6 1 1 A 45 45 THR HA H 45 4.664 4.669 -0.005 1 1 503 . 6 1 1 A 45 45 THR C C 45 172.224 173.323 -1.099 1 1 504 . 6 1 1 A 45 45 THR CA C 45 62.413 61.617 0.796 1 1 505 . 6 1 1 A 45 45 THR CB C 45 69.848 70.700 -0.852 1 1 507 . 6 1 1 A 45 45 THR N N 45 118.681 116.678 2.003 1 1 508 . 6 1 1 A 46 46 LEU H H 46 8.391 8.384 0.007 1 1 509 . 6 1 1 A 46 46 LEU HA H 46 4.892 4.466 0.426 1 1 519 . 6 1 1 A 46 46 LEU C C 46 174.260 175.445 -1.185 1 1 520 . 6 1 1 A 46 46 LEU CA C 46 52.654 54.816 -2.162 1 1 521 . 6 1 1 A 46 46 LEU CB C 46 42.911 41.202 1.709 1 1 525 . 6 1 1 A 46 46 LEU N N 46 125.559 128.199 -2.640 1 1 526 . 6 1 1 A 47 47 PHE H H 47 9.131 8.901 0.230 1 1 527 . 6 1 1 A 47 47 PHE HA H 47 3.940 4.690 -0.750 1 1 535 . 6 1 1 A 47 47 PHE C C 47 173.363 174.348 -0.985 1 1 536 . 6 1 1 A 47 47 PHE CA C 47 57.454 55.861 1.593 1 1 537 . 6 1 1 A 47 47 PHE CB C 47 42.747 40.568 2.179 1 1 543 . 6 1 1 A 47 47 PHE N N 47 121.095 123.719 -2.624 1 1 544 . 6 1 1 A 48 48 PHE H H 48 7.881 9.096 -1.215 1 1 545 . 6 1 1 A 48 48 PHE HA H 48 5.021 5.444 -0.423 1 1 553 . 6 1 1 A 48 48 PHE C C 48 173.727 174.542 -0.815 1 1 554 . 6 1 1 A 48 48 PHE CA C 48 56.166 55.473 0.693 1 1 555 . 6 1 1 A 48 48 PHE CB C 48 39.169 41.289 -2.120 1 1 561 . 6 1 1 A 48 48 PHE N N 48 120.063 122.503 -2.440 1 1 562 . 6 1 1 A 49 49 TYR H H 49 9.972 9.282 0.690 1 1 563 . 6 1 1 A 49 49 TYR HA H 49 5.190 5.261 -0.071 1 1 570 . 6 1 1 A 49 49 TYR C C 49 176.587 176.104 0.483 1 1 571 . 6 1 1 A 49 49 TYR CA C 49 56.254 56.907 -0.653 1 1 572 . 6 1 1 A 49 49 TYR CB C 49 41.842 43.710 -1.868 1 1 577 . 6 1 1 A 49 49 TYR N N 49 121.415 121.004 0.411 1 1 578 . 6 1 1 A 50 50 THR H H 50 9.511 9.187 0.324 1 1 579 . 6 1 1 A 50 50 THR HA H 50 4.571 4.720 -0.149 1 1 584 . 6 1 1 A 50 50 THR C C 50 174.793 174.587 0.206 1 1 585 . 6 1 1 A 50 50 THR CA C 50 65.361 63.222 2.139 1 1 586 . 6 1 1 A 50 50 THR CB C 50 69.043 69.419 -0.376 1 1 588 . 6 1 1 A 50 50 THR N N 50 114.446 114.617 -0.171 1 1 589 . 6 1 1 A 51 51 ASP H H 51 7.828 7.950 -0.122 1 1 590 . 6 1 1 A 51 51 ASP HA H 51 4.803 5.117 -0.314 1 1 593 . 6 1 1 A 51 51 ASP C C 51 174.685 176.191 -1.506 1 1 594 . 6 1 1 A 51 51 ASP CA C 51 53.254 53.242 0.012 1 1 595 . 6 1 1 A 51 51 ASP CB C 51 43.586 44.777 -1.191 1 1 596 . 6 1 1 A 51 51 ASP N N 51 115.656 120.084 -4.428 1 1 597 . 6 1 1 A 52 52 LYS H H 52 8.271 8.544 -0.273 1 1 598 . 6 1 1 A 52 52 LYS HA H 52 2.800 3.705 -0.905 1 1 607 . 6 1 1 A 52 52 LYS C C 52 176.671 178.232 -1.561 1 1 608 . 6 1 1 A 52 52 LYS CA C 52 58.372 58.499 -0.127 1 1 609 . 6 1 1 A 52 52 LYS CB C 52 32.178 31.564 0.614 1 1 613 . 6 1 1 A 52 52 LYS N N 52 119.009 121.720 -2.711 1 1 614 . 6 1 1 A 53 53 LYS H H 53 8.068 7.582 0.486 1 1 615 . 6 1 1 A 53 53 LYS HA H 53 4.109 4.190 -0.081 1 1 624 . 6 1 1 A 53 53 LYS C C 53 176.950 177.618 -0.668 1 1 625 . 6 1 1 A 53 53 LYS CA C 53 55.830 58.563 -2.733 1 1 626 . 6 1 1 A 53 53 LYS CB C 53 32.301 32.554 -0.253 1 1 630 . 6 1 1 A 53 53 LYS N N 53 116.395 117.911 -1.516 1 1 631 . 6 1 1 A 54 54 SER H H 54 7.549 8.007 -0.458 1 1 632 . 6 1 1 A 54 54 SER HA H 54 4.316 4.383 -0.067 1 1 635 . 6 1 1 A 54 54 SER C C 54 174.394 173.653 0.741 1 1 636 . 6 1 1 A 54 54 SER CA C 54 59.395 60.301 -0.906 1 1 637 . 6 1 1 A 54 54 SER CB C 54 64.337 63.838 0.499 1 1 638 . 6 1 1 A 54 54 SER N N 54 116.653 114.981 1.672 1 1 639 . 6 1 1 A 55 55 ILE H H 55 8.424 9.050 -0.626 1 1 640 . 6 1 1 A 55 55 ILE HA H 55 4.267 4.183 0.084 1 1 650 . 6 1 1 A 55 55 ILE C C 55 174.999 176.319 -1.320 1 1 651 . 6 1 1 A 55 55 ILE CA C 55 62.213 62.920 -0.707 1 1 652 . 6 1 1 A 55 55 ILE CB C 55 38.728 38.734 -0.006 1 1 656 . 6 1 1 A 55 55 ILE N N 55 118.660 126.330 -7.670 1 1 657 . 6 1 1 A 56 56 ILE H H 56 7.771 7.795 -0.024 1 1 658 . 6 1 1 A 56 56 ILE HA H 56 4.561 4.247 0.314 1 1 668 . 6 1 1 A 56 56 ILE C C 56 175.266 175.813 -0.547 1 1 669 . 6 1 1 A 56 56 ILE CA C 56 59.342 61.020 -1.678 1 1 670 . 6 1 1 A 56 56 ILE CB C 56 39.506 38.986 0.520 1 1 674 . 6 1 1 A 56 56 ILE N N 56 119.568 120.135 -0.567 1 1 675 . 6 1 1 A 57 57 TYR H H 57 7.251 8.597 -1.346 1 1 676 . 6 1 1 A 57 57 TYR HA H 57 4.261 4.106 0.155 1 1 683 . 6 1 1 A 57 57 TYR C C 57 174.902 176.238 -1.336 1 1 684 . 6 1 1 A 57 57 TYR CA C 57 56.201 56.996 -0.795 1 1 685 . 6 1 1 A 57 57 TYR CB C 57 37.230 39.021 -1.791 1 1 690 . 6 1 1 A 58 58 VAL H H 58 9.157 8.464 0.693 1 1 691 . 6 1 1 A 58 58 VAL HA H 58 4.251 3.819 0.432 1 1 699 . 6 1 1 A 58 58 VAL C C 58 175.812 174.862 0.950 1 1 700 . 6 1 1 A 58 58 VAL CA C 58 62.360 65.050 -2.690 1 1 701 . 6 1 1 A 58 58 VAL CB C 58 33.123 32.196 0.927 1 1 704 . 6 1 1 A 58 58 VAL N N 58 116.888 121.393 -4.505 1 1 705 . 6 1 1 A 59 59 ASP H H 59 7.990 7.438 0.552 1 1 706 . 6 1 1 A 59 59 ASP HA H 59 4.970 5.217 -0.247 1 1 709 . 6 1 1 A 59 59 ASP C C 59 172.346 173.841 -1.495 1 1 710 . 6 1 1 A 59 59 ASP CA C 59 52.601 53.398 -0.797 1 1 711 . 6 1 1 A 59 59 ASP CB C 59 42.952 44.590 -1.638 1 1 712 . 6 1 1 A 59 59 ASP N N 59 117.301 118.995 -1.694 1 1 713 . 6 1 1 A 60 60 LYS H H 60 8.991 8.865 0.126 1 1 714 . 6 1 1 A 60 60 LYS HA H 60 4.761 4.660 0.101 1 1 723 . 6 1 1 A 60 60 LYS C C 60 173.666 174.596 -0.930 1 1 724 . 6 1 1 A 60 60 LYS CA C 60 54.718 53.794 0.924 1 1 725 . 6 1 1 A 60 60 LYS CB C 60 35.097 35.900 -0.803 1 1 729 . 6 1 1 A 60 60 LYS N N 60 118.648 117.947 0.701 1 1 730 . 6 1 1 A 61 61 LEU H H 61 8.702 8.935 -0.233 1 1 731 . 6 1 1 A 61 61 LEU HA H 61 4.462 4.978 -0.516 1 1 741 . 6 1 1 A 61 61 LEU C C 61 173.630 174.776 -1.146 1 1 742 . 6 1 1 A 61 61 LEU CA C 61 54.065 53.156 0.909 1 1 743 . 6 1 1 A 61 61 LEU CB C 61 47.032 46.099 0.933 1 1 747 . 6 1 1 A 61 61 LEU N N 61 121.890 120.470 1.420 1 1 748 . 6 1 1 A 62 62 ASP H H 62 8.868 8.594 0.274 1 1 749 . 6 1 1 A 62 62 ASP HA H 62 4.841 4.944 -0.103 1 1 752 . 6 1 1 A 62 62 ASP C C 62 178.029 174.715 3.314 1 1 753 . 6 1 1 A 62 62 ASP CA C 62 53.819 53.549 0.270 1 1 754 . 6 1 1 A 62 62 ASP CB C 62 40.772 44.006 -3.234 1 1 755 . 6 1 1 A 62 62 ASP N N 62 128.697 119.177 9.520 1 1 756 . 6 1 1 A 63 63 ILE H H 63 9.261 7.915 1.346 1 1 757 . 6 1 1 A 63 63 ILE HA H 63 4.554 4.611 -0.057 1 1 767 . 6 1 1 A 63 63 ILE C C 63 175.617 177.212 -1.595 1 1 768 . 6 1 1 A 63 63 ILE CA C 63 60.736 60.474 0.262 1 1 769 . 6 1 1 A 63 63 ILE CB C 63 38.364 37.922 0.442 1 1 773 . 6 1 1 A 63 63 ILE N N 63 120.253 120.782 -0.529 1 1 774 . 6 1 1 A 64 64 VAL H H 64 8.010 7.728 0.282 1 1 775 . 6 1 1 A 64 64 VAL HA H 64 3.781 3.727 0.054 1 1 783 . 6 1 1 A 64 64 VAL C C 64 174.878 176.810 -1.932 1 1 784 . 6 1 1 A 64 64 VAL CA C 64 65.572 65.118 0.454 1 1 785 . 6 1 1 A 64 64 VAL CB C 64 30.532 31.545 -1.013 1 1 788 . 6 1 1 A 64 64 VAL N N 64 122.413 122.775 -0.362 1 1 789 . 6 1 1 A 65 65 ASP H H 65 8.391 7.647 0.744 1 1 790 . 6 1 1 A 65 65 ASP HA H 65 4.841 4.777 0.064 1 1 793 . 6 1 1 A 65 65 ASP C C 65 174.854 175.778 -0.924 1 1 794 . 6 1 1 A 65 65 ASP CA C 65 53.483 53.797 -0.314 1 1 795 . 6 1 1 A 65 65 ASP CB C 65 40.114 41.076 -0.962 1 1 796 . 6 1 1 A 65 65 ASP N N 65 119.308 119.509 -0.201 1 1 797 . 6 1 1 A 66 66 LEU H H 66 7.517 7.424 0.093 1 1 798 . 6 1 1 A 66 66 LEU HA H 66 3.962 4.310 -0.348 1 1 808 . 6 1 1 A 66 66 LEU C C 66 176.708 177.477 -0.769 1 1 809 . 6 1 1 A 66 66 LEU CA C 66 57.471 56.384 1.087 1 1 810 . 6 1 1 A 66 66 LEU CB C 66 43.322 42.836 0.486 1 1 814 . 6 1 1 A 66 66 LEU N N 66 120.009 123.458 -3.449 1 1 815 . 6 1 1 A 67 67 THR H H 67 9.329 10.204 -0.875 1 1 816 . 6 1 1 A 67 67 THR HA H 67 4.363 4.337 0.026 1 1 821 . 6 1 1 A 67 67 THR C C 67 175.145 174.162 0.983 1 1 822 . 6 1 1 A 67 67 THR CA C 67 64.019 63.627 0.392 1 1 823 . 6 1 1 A 67 67 THR CB C 67 69.107 69.122 -0.015 1 1 825 . 6 1 1 A 67 67 THR N N 67 123.534 120.996 2.538 1 1 826 . 6 1 1 A 68 68 CYS H H 68 7.584 7.433 0.151 1 1 827 . 6 1 1 A 68 68 CYS HA H 68 4.604 4.704 -0.100 1 1 830 . 6 1 1 A 68 68 CYS C C 68 170.528 172.366 -1.838 1 1 831 . 6 1 1 A 68 68 CYS CA C 68 57.402 58.493 -1.091 1 1 832 . 6 1 1 A 68 68 CYS CB C 68 29.175 30.629 -1.454 1 1 833 . 6 1 1 A 68 68 CYS N N 68 115.015 115.045 -0.030 1 1 834 . 6 1 1 A 69 69 LEU H H 69 8.730 8.647 0.083 1 1 835 . 6 1 1 A 69 69 LEU HA H 69 5.411 5.099 0.312 1 1 845 . 6 1 1 A 69 69 LEU C C 69 176.356 174.190 2.166 1 1 846 . 6 1 1 A 69 69 LEU CA C 69 54.242 54.437 -0.195 1 1 847 . 6 1 1 A 69 69 LEU CB C 69 44.885 45.482 -0.597 1 1 851 . 6 1 1 A 69 69 LEU N N 69 125.633 122.292 3.341 1 1 852 . 6 1 1 A 70 70 THR H H 70 9.197 8.780 0.417 1 1 853 . 6 1 1 A 70 70 THR HA H 70 4.702 5.081 -0.379 1 1 858 . 6 1 1 A 70 70 THR C C 70 173.582 172.671 0.911 1 1 859 . 6 1 1 A 70 70 THR CA C 70 60.384 59.157 1.227 1 1 860 . 6 1 1 A 70 70 THR CB C 70 70.870 71.540 -0.670 1 1 862 . 6 1 1 A 70 70 THR N N 70 120.391 119.091 1.300 1 1 863 . 6 1 1 A 71 71 GLU H H 71 8.965 8.764 0.201 1 1 864 . 6 1 1 A 71 71 GLU HA H 71 4.685 5.357 -0.672 1 1 869 . 6 1 1 A 71 71 GLU C C 71 175.957 175.130 0.827 1 1 870 . 6 1 1 A 71 71 GLU CA C 71 56.254 54.569 1.685 1 1 871 . 6 1 1 A 71 71 GLU CB C 71 31.396 33.041 -1.645 1 1 873 . 6 1 1 A 71 71 GLU N N 71 124.718 121.360 3.358 1 1 874 . 6 1 1 A 72 72 GLN H H 72 8.318 8.482 -0.164 1 1 875 . 6 1 1 A 72 72 GLN HA H 72 4.629 5.223 -0.594 1 1 882 . 6 1 1 A 72 72 GLN C C 72 175.254 174.986 0.268 1 1 883 . 6 1 1 A 72 72 GLN CA C 72 55.336 54.613 0.723 1 1 884 . 6 1 1 A 72 72 GLN CB C 72 30.533 31.582 -1.049 1 1 886 . 6 1 1 A 72 72 GLN N N 72 123.543 122.575 0.968 1 1 888 . 6 1 1 A 73 73 ASN H H 73 8.670 9.094 -0.424 1 1 889 . 6 1 1 A 73 73 ASN HA H 73 4.688 5.690 -1.002 1 1 894 . 6 1 1 A 73 73 ASN C C 73 175.229 173.782 1.447 1 1 895 . 6 1 1 A 73 73 ASN CA C 73 53.607 51.910 1.697 1 1 896 . 6 1 1 A 73 73 ASN CB C 73 39.169 42.819 -3.650 1 1 897 . 6 1 1 A 73 73 ASN N N 73 120.534 118.847 1.687 1 1 899 . 6 1 1 A 74 74 SER H H 74 8.641 8.870 -0.229 1 1 900 . 6 1 1 A 74 74 SER HA H 74 4.652 4.752 -0.100 1 1 903 . 6 1 1 A 74 74 SER C C 74 175.121 175.326 -0.205 1 1 904 . 6 1 1 A 74 74 SER CA C 74 58.409 59.633 -1.224 1 1 905 . 6 1 1 A 74 74 SER CB C 74 64.401 65.227 -0.826 1 1 906 . 6 1 1 A 74 74 SER N N 74 117.448 115.293 2.155 1 1 907 . 6 1 1 A 75 75 THR HA H 75 4.282 4.168 0.114 1 1 912 . 6 1 1 A 75 75 THR C C 75 174.878 174.470 0.408 1 1 913 . 6 1 1 A 75 75 THR CA C 75 62.819 64.190 -1.371 1 1 914 . 6 1 1 A 75 75 THR CB C 75 69.061 68.782 0.279 1 1 916 . 6 1 1 A 76 76 GLU H H 76 8.156 7.672 0.484 1 1 917 . 6 1 1 A 76 76 GLU HA H 76 4.350 4.660 -0.310 1 1 922 . 6 1 1 A 76 76 GLU C C 76 176.138 173.439 2.699 1 1 923 . 6 1 1 A 76 76 GLU CA C 76 56.202 56.047 0.155 1 1 924 . 6 1 1 A 76 76 GLU CB C 76 30.532 33.176 -2.644 1 1 926 . 6 1 1 A 76 76 GLU N N 76 122.220 119.578 2.642 1 1 927 . 6 1 1 A 77 77 LYS H H 77 8.443 8.641 -0.198 1 1 928 . 6 1 1 A 77 77 LYS HA H 77 4.221 4.574 -0.353 1 1 937 . 6 1 1 A 77 77 LYS C C 77 176.465 175.690 0.775 1 1 938 . 6 1 1 A 77 77 LYS CA C 77 56.730 55.133 1.597 1 1 939 . 6 1 1 A 77 77 LYS CB C 77 32.301 32.905 -0.604 1 1 943 . 6 1 1 A 77 77 LYS N N 77 122.162 123.967 -1.805 1 1 944 . 6 1 1 A 78 78 ASN H H 78 8.621 8.603 0.018 1 1 945 . 6 1 1 A 78 78 ASN HA H 78 4.641 4.964 -0.323 1 1 950 . 6 1 1 A 78 78 ASN C C 78 173.485 175.261 -1.776 1 1 951 . 6 1 1 A 78 78 ASN CA C 78 53.748 54.697 -0.949 1 1 952 . 6 1 1 A 78 78 ASN CB C 78 38.058 41.232 -3.174 1 1 953 . 6 1 1 A 78 78 ASN N N 78 116.583 126.456 -9.873 1 1 955 . 6 1 1 A 79 79 CYS H H 79 7.551 7.784 -0.233 1 1 956 . 6 1 1 A 79 79 CYS HA H 79 4.371 4.723 -0.352 1 1 959 . 6 1 1 A 79 79 CYS C C 79 172.515 174.299 -1.784 1 1 960 . 6 1 1 A 79 79 CYS CA C 79 57.295 57.354 -0.059 1 1 961 . 6 1 1 A 79 79 CYS CB C 79 29.628 29.840 -0.212 1 1 962 . 6 1 1 A 79 79 CYS N N 79 112.640 115.899 -3.259 1 1 963 . 6 1 1 A 80 80 ALA H H 80 7.642 8.510 -0.868 1 1 964 . 6 1 1 A 80 80 ALA HA H 80 4.727 4.797 -0.070 1 1 968 . 6 1 1 A 80 80 ALA C C 80 175.314 176.320 -1.006 1 1 969 . 6 1 1 A 80 80 ALA CA C 80 51.330 51.253 0.077 1 1 970 . 6 1 1 A 80 80 ALA CB C 80 21.896 20.095 1.801 1 1 971 . 6 1 1 A 80 80 ALA N N 80 124.099 124.039 0.060 1 1 972 . 6 1 1 A 81 81 LYS H H 81 8.459 8.686 -0.227 1 1 973 . 6 1 1 A 81 81 LYS HA H 81 5.112 4.761 0.351 1 1 982 . 6 1 1 A 81 81 LYS C C 81 174.781 175.267 -0.486 1 1 983 . 6 1 1 A 81 81 LYS CA C 81 55.283 54.645 0.638 1 1 984 . 6 1 1 A 81 81 LYS CB C 81 36.133 34.196 1.937 1 1 988 . 6 1 1 A 81 81 LYS N N 81 119.796 123.891 -4.095 1 1 989 . 6 1 1 A 82 82 PHE H H 82 8.748 7.826 0.922 1 1 990 . 6 1 1 A 82 82 PHE HA H 82 5.513 5.889 -0.376 1 1 998 . 6 1 1 A 82 82 PHE C C 82 174.357 172.770 1.587 1 1 999 . 6 1 1 A 82 82 PHE CA C 82 55.643 55.960 -0.317 1 1 1000 . 6 1 1 A 82 82 PHE CB C 82 42.089 42.596 -0.507 1 1 1006 . 6 1 1 A 82 82 PHE N N 82 119.073 119.978 -0.905 1 1 1007 . 6 1 1 A 83 83 THR H H 83 9.290 8.594 0.696 1 1 1008 . 6 1 1 A 83 83 THR HA H 83 5.032 5.120 -0.088 1 1 1013 . 6 1 1 A 83 83 THR C C 83 173.472 174.052 -0.580 1 1 1014 . 6 1 1 A 83 83 THR CA C 83 62.113 61.422 0.691 1 1 1015 . 6 1 1 A 83 83 THR CB C 83 71.076 70.852 0.224 1 1 1017 . 6 1 1 A 83 83 THR N N 83 116.845 115.830 1.015 1 1 1018 . 6 1 1 A 84 84 LEU H H 84 9.502 9.324 0.178 1 1 1019 . 6 1 1 A 84 84 LEU HA H 84 4.691 4.841 -0.150 1 1 1029 . 6 1 1 A 84 84 LEU C C 84 174.308 176.368 -2.060 1 1 1030 . 6 1 1 A 84 84 LEU CA C 84 54.224 53.911 0.313 1 1 1031 . 6 1 1 A 84 84 LEU CB C 84 41.636 41.447 0.189 1 1 1035 . 6 1 1 A 84 84 LEU N N 84 125.923 128.167 -2.244 1 1 1036 . 6 1 1 A 85 85 VAL H H 85 8.620 8.572 0.048 1 1 1037 . 6 1 1 A 85 85 VAL HA H 85 4.151 4.330 -0.179 1 1 1045 . 6 1 1 A 85 85 VAL C C 85 174.188 175.495 -1.307 1 1 1046 . 6 1 1 A 85 85 VAL CA C 85 63.649 62.694 0.955 1 1 1047 . 6 1 1 A 85 85 VAL CB C 85 30.861 31.574 -0.713 1 1 1050 . 6 1 1 A 85 85 VAL N N 85 126.007 125.424 0.583 1 1 1051 . 6 1 1 A 86 86 LEU H H 86 8.534 8.611 -0.077 1 1 1052 . 6 1 1 A 86 86 LEU HA H 86 4.853 4.808 0.045 1 1 1062 . 6 1 1 A 86 86 LEU C C 86 174.878 176.651 -1.773 1 1 1063 . 6 1 1 A 86 86 LEU CA C 86 53.183 51.699 1.484 1 1 1064 . 6 1 1 A 86 86 LEU CB C 86 40.485 44.941 -4.456 1 1 1068 . 6 1 1 A 86 86 LEU N N 86 129.551 128.375 1.176 1 1 1069 . 6 1 1 A 87 87 PRO HA H 87 4.221 4.545 -0.324 1 1 1076 . 6 1 1 A 87 87 PRO C C 87 178.223 177.082 1.141 1 1 1077 . 6 1 1 A 87 87 PRO CA C 87 66.455 64.171 2.284 1 1 1078 . 6 1 1 A 87 87 PRO CB C 87 32.260 31.669 0.591 1 1 1081 . 6 1 1 A 88 88 LYS H H 88 8.414 8.225 0.189 1 1 1082 . 6 1 1 A 88 88 LYS HA H 88 4.548 4.396 0.152 1 1 1091 . 6 1 1 A 88 88 LYS C C 88 176.187 176.599 -0.412 1 1 1092 . 6 1 1 A 88 88 LYS CA C 88 55.071 57.016 -1.945 1 1 1093 . 6 1 1 A 88 88 LYS CB C 88 33.534 34.145 -0.611 1 1 1097 . 6 1 1 A 88 88 LYS N N 88 110.404 116.726 -6.322 1 1 1098 . 6 1 1 A 89 89 GLU H H 89 7.208 7.767 -0.559 1 1 1099 . 6 1 1 A 89 89 GLU HA H 89 4.561 4.724 -0.163 1 1 1104 . 6 1 1 A 89 89 GLU C C 89 172.527 174.348 -1.821 1 1 1105 . 6 1 1 A 89 89 GLU CA C 89 56.007 55.727 0.280 1 1 1106 . 6 1 1 A 89 89 GLU CB C 89 33.082 33.495 -0.413 1 1 1108 . 6 1 1 A 89 89 GLU N N 89 116.828 114.920 1.908 1 1 1109 . 6 1 1 A 90 90 GLU H H 90 8.321 8.522 -0.201 1 1 1110 . 6 1 1 A 90 90 GLU HA H 90 5.249 5.139 0.110 1 1 1115 . 6 1 1 A 90 90 GLU C C 90 176.296 176.222 0.074 1 1 1116 . 6 1 1 A 90 90 GLU CA C 90 54.860 56.027 -1.167 1 1 1117 . 6 1 1 A 90 90 GLU CB C 90 31.972 31.386 0.586 1 1 1119 . 6 1 1 A 90 90 GLU N N 90 119.609 124.094 -4.485 1 1 1120 . 6 1 1 A 91 91 VAL H H 91 8.972 8.632 0.340 1 1 1121 . 6 1 1 A 91 91 VAL HA H 91 4.352 4.742 -0.390 1 1 1129 . 6 1 1 A 91 91 VAL C C 91 174.284 174.363 -0.079 1 1 1130 . 6 1 1 A 91 91 VAL CA C 91 61.284 60.238 1.046 1 1 1131 . 6 1 1 A 91 91 VAL CB C 91 34.891 35.572 -0.681 1 1 1134 . 6 1 1 A 91 91 VAL N N 91 123.947 122.820 1.127 1 1 1135 . 6 1 1 A 92 92 GLN H H 92 8.241 8.560 -0.319 1 1 1136 . 6 1 1 A 92 92 GLN HA H 92 4.930 4.877 0.053 1 1 1143 . 6 1 1 A 92 92 GLN C C 92 174.115 175.102 -0.987 1 1 1144 . 6 1 1 A 92 92 GLN CA C 92 55.583 55.384 0.199 1 1 1145 . 6 1 1 A 92 92 GLN CB C 92 30.121 30.163 -0.042 1 1 1147 . 6 1 1 A 92 92 GLN N N 92 125.869 126.106 -0.237 1 1 1149 . 6 1 1 A 93 93 LEU H H 93 9.145 8.531 0.614 1 1 1150 . 6 1 1 A 93 93 LEU HA H 93 5.456 4.987 0.469 1 1 1160 . 6 1 1 A 93 93 LEU C C 93 176.256 174.807 1.449 1 1 1161 . 6 1 1 A 93 93 LEU CA C 93 53.801 53.610 0.191 1 1 1162 . 6 1 1 A 93 93 LEU CB C 93 45.913 44.668 1.245 1 1 1166 . 6 1 1 A 93 93 LEU N N 93 123.952 124.861 -0.909 1 1 1167 . 6 1 1 A 94 94 LYS H H 94 9.255 8.709 0.546 1 1 1168 . 6 1 1 A 94 94 LYS HA H 94 5.452 4.753 0.699 1 1 1177 . 6 1 1 A 94 94 LYS C C 94 174.563 174.612 -0.049 1 1 1178 . 6 1 1 A 94 94 LYS CA C 94 54.718 54.247 0.471 1 1 1179 . 6 1 1 A 94 94 LYS CB C 94 36.571 35.896 0.675 1 1 1183 . 6 1 1 A 94 94 LYS N N 94 124.618 126.911 -2.293 1 1 1184 . 6 1 1 A 95 95 THR H H 95 8.582 8.301 0.281 1 1 1185 . 6 1 1 A 95 95 THR HA H 95 4.946 4.885 0.061 1 1 1190 . 6 1 1 A 95 95 THR C C 95 175.278 175.553 -0.275 1 1 1191 . 6 1 1 A 95 95 THR CA C 95 59.908 59.220 0.688 1 1 1192 . 6 1 1 A 95 95 THR CB C 95 70.917 71.804 -0.887 1 1 1194 . 6 1 1 A 95 95 THR N N 95 112.788 116.460 -3.672 1 1 1195 . 6 1 1 A 96 96 GLU H H 96 9.033 8.695 0.338 1 1 1196 . 6 1 1 A 96 96 GLU HA H 96 4.321 4.157 0.164 1 1 1201 . 6 1 1 A 96 96 GLU C C 96 175.435 177.097 -1.662 1 1 1202 . 6 1 1 A 96 96 GLU CA C 96 57.595 59.612 -2.017 1 1 1203 . 6 1 1 A 96 96 GLU CB C 96 30.656 30.019 0.637 1 1 1205 . 6 1 1 A 96 96 GLU N N 96 117.745 121.618 -3.873 1 1 1206 . 6 1 1 A 97 97 ASN H H 97 7.562 7.748 -0.186 1 1 1207 . 6 1 1 A 97 97 ASN HA H 97 5.074 5.164 -0.090 1 1 1212 . 6 1 1 A 97 97 ASN C C 97 176.575 176.293 0.282 1 1 1213 . 6 1 1 A 97 97 ASN CA C 97 52.195 51.801 0.394 1 1 1214 . 6 1 1 A 97 97 ASN CB C 97 40.485 40.962 -0.477 1 1 1215 . 6 1 1 A 97 97 ASN N N 97 110.462 116.069 -5.607 1 1 1217 . 6 1 1 A 98 98 THR HA H 98 3.916 4.135 -0.219 1 1 1222 . 6 1 1 A 98 98 THR C C 98 176.938 176.631 0.307 1 1 1223 . 6 1 1 A 98 98 THR CA C 98 66.349 64.986 1.363 1 1 1224 . 6 1 1 A 98 98 THR CB C 98 68.638 69.221 -0.583 1 1 1226 . 6 1 1 A 99 99 GLU H H 99 9.316 8.292 1.024 1 1 1227 . 6 1 1 A 99 99 GLU HA H 99 4.221 4.053 0.168 1 1 1232 . 6 1 1 A 99 99 GLU C C 99 179.241 178.701 0.540 1 1 1233 . 6 1 1 A 99 99 GLU CA C 99 60.754 59.323 1.431 1 1 1234 . 6 1 1 A 99 99 GLU CB C 99 28.764 29.530 -0.766 1 1 1236 . 6 1 1 A 99 99 GLU N N 99 125.868 121.206 4.662 1 1 1237 . 6 1 1 A 100 100 SER H H 100 8.739 8.645 0.094 1 1 1238 . 6 1 1 A 100 100 SER HA H 100 4.863 4.407 0.456 1 1 1241 . 6 1 1 A 100 100 SER C C 100 177.411 177.309 0.102 1 1 1242 . 6 1 1 A 100 100 SER CA C 100 61.037 61.492 -0.455 1 1 1243 . 6 1 1 A 100 100 SER CB C 100 63.879 62.926 0.953 1 1 1244 . 6 1 1 A 100 100 SER N N 100 114.755 114.920 -0.165 1 1 1245 . 6 1 1 A 101 101 GLY H H 101 7.879 8.601 -0.722 1 1 1246 . 6 1 1 A 101 101 GLY HA2 H 101 4.139 3.934 0.205 1 1 1247 . 6 1 1 A 101 101 GLY HA3 H 101 4.012 4.036 -0.024 1 1 1248 . 6 1 1 A 101 101 GLY C C 101 174.611 176.037 -1.426 1 1 1249 . 6 1 1 A 101 101 GLY CA C 101 48.948 47.523 1.425 1 1 1250 . 6 1 1 A 101 101 GLY N N 101 108.940 110.064 -1.124 1 1 1251 . 6 1 1 A 102 102 GLU H H 102 7.801 7.916 -0.115 1 1 1252 . 6 1 1 A 102 102 GLU HA H 102 4.171 4.032 0.139 1 1 1257 . 6 1 1 A 102 102 GLU C C 102 179.084 179.242 -0.158 1 1 1258 . 6 1 1 A 102 102 GLU CA C 102 58.601 59.503 -0.902 1 1 1259 . 6 1 1 A 102 102 GLU CB C 102 29.627 29.475 0.152 1 1 1261 . 6 1 1 A 102 102 GLU N N 102 120.720 121.296 -0.576 1 1 1262 . 6 1 1 A 103 103 GLU H H 103 7.781 7.812 -0.031 1 1 1263 . 6 1 1 A 103 103 GLU HA H 103 3.739 3.784 -0.045 1 1 1268 . 6 1 1 A 103 103 GLU C C 103 178.235 178.853 -0.618 1 1 1269 . 6 1 1 A 103 103 GLU CA C 103 60.366 59.392 0.974 1 1 1270 . 6 1 1 A 103 103 GLU CB C 103 30.491 29.403 1.088 1 1 1272 . 6 1 1 A 103 103 GLU N N 103 119.068 119.925 -0.857 1 1 1273 . 6 1 1 A 104 104 TRP H H 104 8.761 8.190 0.571 1 1 1274 . 6 1 1 A 104 104 TRP HA H 104 4.171 4.710 -0.539 1 1 1283 . 6 1 1 A 104 104 TRP C C 104 178.817 178.882 -0.065 1 1 1284 . 6 1 1 A 104 104 TRP CA C 104 62.290 60.707 1.583 1 1 1285 . 6 1 1 A 104 104 TRP CB C 104 29.340 29.539 -0.199 1 1 1291 . 6 1 1 A 104 104 TRP N N 104 118.358 121.302 -2.944 1 1 1293 . 6 1 1 A 105 105 ARG H H 105 8.400 8.123 0.277 1 1 1294 . 6 1 1 A 105 105 ARG HA H 105 3.481 3.695 -0.214 1 1 1302 . 6 1 1 A 105 105 ARG C C 105 177.666 179.070 -1.404 1 1 1303 . 6 1 1 A 105 105 ARG CA C 105 60.666 59.459 1.207 1 1 1304 . 6 1 1 A 105 105 ARG CB C 105 30.162 29.927 0.235 1 1 1307 . 6 1 1 A 105 105 ARG N N 105 117.098 119.502 -2.404 1 1 1309 . 6 1 1 A 106 106 GLY H H 106 8.202 9.542 -1.340 1 1 1310 . 6 1 1 A 106 106 GLY HA2 H 106 3.470 3.554 -0.084 1 1 1311 . 6 1 1 A 106 106 GLY HA3 H 106 3.382 3.617 -0.235 1 1 1312 . 6 1 1 A 106 106 GLY C C 106 176.162 176.174 -0.012 1 1 1313 . 6 1 1 A 106 106 GLY CA C 106 47.554 47.225 0.329 1 1 1314 . 6 1 1 A 106 106 GLY N N 106 104.212 106.853 -2.641 1 1 1315 . 6 1 1 A 107 107 PHE H H 107 8.491 8.335 0.156 1 1 1316 . 6 1 1 A 107 107 PHE HA H 107 3.722 4.522 -0.800 1 1 1324 . 6 1 1 A 107 107 PHE C C 107 177.265 178.124 -0.859 1 1 1325 . 6 1 1 A 107 107 PHE CA C 107 64.284 59.469 4.815 1 1 1326 . 6 1 1 A 107 107 PHE CB C 107 39.209 38.180 1.029 1 1 1332 . 6 1 1 A 107 107 PHE N N 107 122.710 120.561 2.149 1 1 1333 . 6 1 1 A 108 108 ILE H H 108 8.674 9.502 -0.828 1 1 1334 . 6 1 1 A 108 108 ILE HA H 108 3.523 3.732 -0.209 1 1 1344 . 6 1 1 A 108 108 ILE C C 108 178.623 177.933 0.690 1 1 1345 . 6 1 1 A 108 108 ILE CA C 108 66.384 65.044 1.340 1 1 1346 . 6 1 1 A 108 108 ILE CB C 108 37.852 38.031 -0.179 1 1 1350 . 6 1 1 A 108 108 ILE N N 108 117.395 120.510 -3.115 1 1 1351 . 6 1 1 A 109 109 LEU H H 109 8.378 8.835 -0.457 1 1 1352 . 6 1 1 A 109 109 LEU HA H 109 4.032 4.334 -0.302 1 1 1362 . 6 1 1 A 109 109 LEU C C 109 178.635 179.468 -0.833 1 1 1363 . 6 1 1 A 109 109 LEU CA C 109 57.878 57.803 0.075 1 1 1364 . 6 1 1 A 109 109 LEU CB C 109 40.854 41.700 -0.846 1 1 1368 . 6 1 1 A 109 109 LEU N N 109 118.573 119.175 -0.602 1 1 1369 . 6 1 1 A 110 110 THR H H 110 7.600 7.627 -0.027 1 1 1370 . 6 1 1 A 110 110 THR HA H 110 4.110 4.540 -0.430 1 1 1375 . 6 1 1 A 110 110 THR C C 110 177.265 175.993 1.272 1 1 1376 . 6 1 1 A 110 110 THR CA C 110 68.325 66.154 2.171 1 1 1377 . 6 1 1 A 110 110 THR CB C 110 68.230 68.970 -0.740 1 1 1379 . 6 1 1 A 110 110 THR N N 110 115.926 114.863 1.063 1 1 1380 . 6 1 1 A 111 111 VAL H H 111 7.490 7.804 -0.314 1 1 1381 . 6 1 1 A 111 111 VAL HA H 111 3.912 4.229 -0.317 1 1 1389 . 6 1 1 A 111 111 VAL C C 111 174.793 176.713 -1.920 1 1 1390 . 6 1 1 A 111 111 VAL CA C 111 64.601 61.232 3.369 1 1 1391 . 6 1 1 A 111 111 VAL CB C 111 32.007 31.579 0.428 1 1 1394 . 6 1 1 A 111 111 VAL N N 111 109.123 115.246 -6.123 1 1 1395 . 6 1 1 A 112 112 THR H H 112 7.410 7.712 -0.302 1 1 1396 . 6 1 1 A 112 112 THR HA H 112 4.494 4.603 -0.109 1 1 1401 . 6 1 1 A 112 112 THR C C 112 177.265 175.503 1.762 1 1 1402 . 6 1 1 A 112 112 THR CA C 112 62.784 62.163 0.621 1 1 1403 . 6 1 1 A 112 112 THR CB C 112 69.290 70.487 -1.197 1 1 1405 . 6 1 1 A 112 112 THR N N 112 107.046 112.341 -5.295 1 1 1406 . 6 1 1 A 113 113 GLU H H 113 8.541 8.427 0.114 1 1 1407 . 6 1 1 A 113 113 GLU HA H 113 4.280 4.315 -0.035 1 1 1412 . 6 1 1 A 113 113 GLU C C 113 176.745 175.870 0.875 1 1 1413 . 6 1 1 A 113 113 GLU CA C 113 57.048 56.317 0.731 1 1 1414 . 6 1 1 A 113 113 GLU CB C 113 29.422 30.498 -1.076 1 1 1416 . 6 1 1 A 113 113 GLU N N 113 120.888 119.733 1.155 1 1 1417 . 6 1 1 A 114 114 LEU H H 114 7.561 7.660 -0.099 1 1 1418 . 6 1 1 A 114 114 LEU HA H 114 4.042 3.924 0.118 1 1 1428 . 6 1 1 A 114 114 LEU C C 114 175.569 175.210 0.359 1 1 1429 . 6 1 1 A 114 114 LEU CA C 114 55.213 56.328 -1.115 1 1 1430 . 6 1 1 A 114 114 LEU CB C 114 38.182 40.237 -2.055 1 1 1434 . 6 1 1 A 114 114 LEU N N 114 114.453 119.280 -4.827 1 1 1435 . 6 1 1 A 115 115 SER H H 115 7.113 7.709 -0.596 1 1 1436 . 6 1 1 A 115 115 SER HA H 115 4.315 4.721 -0.406 1 1 1439 . 6 1 1 A 115 115 SER C C 115 173.521 172.138 1.383 1 1 1440 . 6 1 1 A 115 115 SER CA C 115 57.454 55.767 1.687 1 1 1441 . 6 1 1 A 115 115 SER CB C 115 64.505 64.966 -0.461 1 1 1442 . 6 1 1 A 115 115 SER N N 115 110.010 113.024 -3.014 1 1 1443 . 6 1 1 A 116 116 VAL H H 116 8.635 8.454 0.181 1 1 1444 . 6 1 1 A 116 116 VAL HA H 116 4.210 4.427 -0.217 1 1 1452 . 6 1 1 A 116 116 VAL C C 116 175.024 174.016 1.008 1 1 1453 . 6 1 1 A 116 116 VAL CA C 116 60.948 58.735 2.213 1 1 1454 . 6 1 1 A 116 116 VAL CB C 116 32.177 35.081 -2.904 1 1 1457 . 6 1 1 A 116 116 VAL N N 116 129.442 121.139 8.303 1 1 1458 . 6 1 1 A 117 117 PRO HA H 117 4.381 4.678 -0.297 1 1 1465 . 6 1 1 A 117 117 PRO C C 117 176.478 177.230 -0.752 1 1 1466 . 6 1 1 A 117 117 PRO CA C 117 62.678 62.396 0.282 1 1 1467 . 6 1 1 A 117 117 PRO CB C 117 31.931 31.731 0.200 1 1 1470 . 6 1 1 A 118 118 GLN H H 118 8.576 8.683 -0.107 1 1 1471 . 6 1 1 A 118 118 GLN HA H 118 4.282 4.197 0.085 1 1 1478 . 6 1 1 A 118 118 GLN C C 118 176.575 176.961 -0.386 1 1 1479 . 6 1 1 A 118 118 GLN CA C 118 55.866 57.077 -1.211 1 1 1480 . 6 1 1 A 118 118 GLN CB C 118 29.704 29.077 0.627 1 1 1482 . 6 1 1 A 118 118 GLN N N 118 118.498 121.597 -3.099 1 1 1484 . 6 1 1 A 119 119 ASN H H 119 8.444 7.935 0.509 1 1 1485 . 6 1 1 A 119 119 ASN HA H 119 4.727 4.864 -0.137 1 1 1490 . 6 1 1 A 119 119 ASN C C 119 174.842 174.814 0.028 1 1 1491 . 6 1 1 A 119 119 ASN CA C 119 52.812 53.077 -0.265 1 1 1492 . 6 1 1 A 119 119 ASN CB C 119 37.071 38.628 -1.557 1 1 1493 . 6 1 1 A 119 119 ASN N N 119 117.223 115.864 1.359 1 1 1495 . 6 1 1 A 120 120 VAL H H 120 7.182 7.386 -0.204 1 1 1496 . 6 1 1 A 120 120 VAL HA H 120 4.381 4.015 0.366 1 1 1504 . 6 1 1 A 120 120 VAL C C 120 175.484 175.600 -0.116 1 1 1505 . 6 1 1 A 120 120 VAL CA C 120 60.048 61.621 -1.573 1 1 1506 . 6 1 1 A 120 120 VAL CB C 120 34.028 33.088 0.940 1 1 1509 . 6 1 1 A 120 120 VAL N N 120 114.038 121.495 -7.457 1 1 1510 . 6 1 1 A 121 121 SER H H 121 9.313 8.747 0.566 1 1 1511 . 6 1 1 A 121 121 SER HA H 121 4.552 4.611 -0.059 1 1 1514 . 6 1 1 A 121 121 SER C C 121 173.096 174.366 -1.270 1 1 1515 . 6 1 1 A 121 121 SER CA C 121 57.119 58.375 -1.256 1 1 1516 . 6 1 1 A 121 121 SER CB C 121 62.528 65.205 -2.677 1 1 1517 . 6 1 1 A 121 121 SER N N 121 122.117 119.722 2.395 1 1 1518 . 6 1 1 A 122 122 LEU H H 122 7.470 7.612 -0.142 1 1 1519 . 6 1 1 A 122 122 LEU HA H 122 4.618 4.082 0.536 1 1 1529 . 6 1 1 A 122 122 LEU C C 122 176.526 177.265 -0.739 1 1 1530 . 6 1 1 A 122 122 LEU CA C 122 52.795 55.357 -2.562 1 1 1531 . 6 1 1 A 122 122 LEU CB C 122 45.790 42.957 2.833 1 1 1535 . 6 1 1 A 122 122 LEU N N 122 122.878 123.577 -0.699 1 1 1536 . 6 1 1 A 123 123 LEU H H 123 8.765 8.370 0.395 1 1 1537 . 6 1 1 A 123 123 LEU HA H 123 4.574 4.347 0.227 1 1 1547 . 6 1 1 A 123 123 LEU C C 123 176.769 176.773 -0.004 1 1 1548 . 6 1 1 A 123 123 LEU CA C 123 53.748 53.344 0.404 1 1 1549 . 6 1 1 A 123 123 LEU CB C 123 40.649 41.365 -0.716 1 1 1553 . 6 1 1 A 123 123 LEU N N 123 122.054 123.643 -1.589 1 1 1554 . 6 1 1 A 124 124 PRO HA H 124 4.232 4.478 -0.246 1 1 1561 . 6 1 1 A 124 124 PRO CA C 124 66.281 64.033 2.248 1 1 1562 . 6 1 1 A 124 124 PRO CB C 124 31.945 31.729 0.216 1 1 1565 . 6 1 1 A 125 125 GLY HA2 H 125 3.901 3.889 0.012 1 1 1566 . 6 1 1 A 125 125 GLY HA3 H 125 3.901 3.889 0.012 1 1 1567 . 6 1 1 A 125 125 GLY C C 125 176.696 175.869 0.827 1 1 1568 . 6 1 1 A 125 125 GLY CA C 125 46.724 46.379 0.345 1 1 1569 . 6 1 1 A 126 126 GLN H H 126 7.495 7.837 -0.342 1 1 1570 . 6 1 1 A 126 126 GLN HA H 126 4.261 3.980 0.281 1 1 1577 . 6 1 1 A 126 126 GLN C C 126 178.235 178.064 0.171 1 1 1578 . 6 1 1 A 126 126 GLN CA C 126 57.807 58.564 -0.757 1 1 1579 . 6 1 1 A 126 126 GLN CB C 126 30.039 28.354 1.685 1 1 1581 . 6 1 1 A 126 126 GLN N N 126 120.404 122.133 -1.729 1 1 1583 . 6 1 1 A 127 127 VAL H H 127 7.839 7.634 0.205 1 1 1584 . 6 1 1 A 127 127 VAL HA H 127 3.360 3.487 -0.127 1 1 1592 . 6 1 1 A 127 127 VAL C C 127 178.441 177.993 0.448 1 1 1593 . 6 1 1 A 127 127 VAL CA C 127 67.231 65.770 1.461 1 1 1594 . 6 1 1 A 127 127 VAL CB C 127 31.948 31.597 0.351 1 1 1597 . 6 1 1 A 127 127 VAL N N 127 121.180 119.731 1.449 1 1 1598 . 6 1 1 A 128 128 ILE H H 128 7.725 8.304 -0.579 1 1 1599 . 6 1 1 A 128 128 ILE HA H 128 3.820 3.585 0.235 1 1 1609 . 6 1 1 A 128 128 ILE C C 128 178.599 178.004 0.595 1 1 1610 . 6 1 1 A 128 128 ILE CA C 128 64.978 65.763 -0.785 1 1 1611 . 6 1 1 A 128 128 ILE CB C 128 37.976 37.922 0.054 1 1 1615 . 6 1 1 A 128 128 ILE N N 128 119.369 120.962 -1.593 1 1 1616 . 6 1 1 A 129 129 LYS H H 129 7.204 7.914 -0.710 1 1 1617 . 6 1 1 A 129 129 LYS HA H 129 4.241 3.961 0.280 1 1 1626 . 6 1 1 A 129 129 LYS C C 129 178.902 179.157 -0.255 1 1 1627 . 6 1 1 A 129 129 LYS CA C 129 58.690 59.346 -0.656 1 1 1628 . 6 1 1 A 129 129 LYS CB C 129 31.725 32.297 -0.572 1 1 1632 . 6 1 1 A 129 129 LYS N N 129 119.356 118.855 0.501 1 1 1633 . 6 1 1 A 130 130 LEU H H 130 7.750 7.768 -0.018 1 1 1634 . 6 1 1 A 130 130 LEU HA H 130 3.649 3.898 -0.249 1 1 1644 . 6 1 1 A 130 130 LEU C C 130 178.756 178.883 -0.127 1 1 1645 . 6 1 1 A 130 130 LEU CA C 130 57.913 57.737 0.176 1 1 1646 . 6 1 1 A 130 130 LEU CB C 130 40.197 41.270 -1.073 1 1 1650 . 6 1 1 A 130 130 LEU N N 130 118.271 119.755 -1.484 1 1 1651 . 6 1 1 A 131 131 HIS H H 131 7.732 8.013 -0.281 1 1 1652 . 6 1 1 A 131 131 HIS HA H 131 3.918 4.139 -0.221 1 1 1657 . 6 1 1 A 131 131 HIS C C 131 178.392 177.688 0.704 1 1 1658 . 6 1 1 A 131 131 HIS CA C 131 61.019 59.517 1.502 1 1 1659 . 6 1 1 A 131 131 HIS CB C 131 29.951 29.929 0.022 1 1 1662 . 6 1 1 A 131 131 HIS N N 131 117.308 117.327 -0.019 1 1 1663 . 6 1 1 A 132 132 GLU H H 132 8.030 8.160 -0.130 1 1 1664 . 6 1 1 A 132 132 GLU HA H 132 4.097 4.004 0.093 1 1 1669 . 6 1 1 A 132 132 GLU C C 132 179.907 179.512 0.395 1 1 1670 . 6 1 1 A 132 132 GLU CA C 132 59.660 59.205 0.455 1 1 1671 . 6 1 1 A 132 132 GLU CB C 132 29.627 29.776 -0.149 1 1 1673 . 6 1 1 A 132 132 GLU N N 132 121.443 119.165 2.278 1 1 1674 . 6 1 1 A 133 133 VAL H H 133 8.250 9.187 -0.937 1 1 1675 . 6 1 1 A 133 133 VAL HA H 133 3.352 3.351 0.001 1 1 1683 . 6 1 1 A 133 133 VAL C C 133 176.575 177.877 -1.302 1 1 1684 . 6 1 1 A 133 133 VAL CA C 133 66.367 65.834 0.533 1 1 1685 . 6 1 1 A 133 133 VAL CB C 133 31.203 31.367 -0.164 1 1 1688 . 6 1 1 A 133 133 VAL N N 133 121.281 120.112 1.169 1 1 1689 . 6 1 1 A 134 134 LEU H H 134 8.259 8.557 -0.298 1 1 1690 . 6 1 1 A 134 134 LEU HA H 134 3.645 3.842 -0.197 1 1 1700 . 6 1 1 A 134 134 LEU C C 134 177.980 178.374 -0.394 1 1 1701 . 6 1 1 A 134 134 LEU CA C 134 58.154 58.578 -0.424 1 1 1702 . 6 1 1 A 134 134 LEU CB C 134 40.320 42.081 -1.761 1 1 1706 . 6 1 1 A 134 134 LEU N N 134 120.134 120.615 -0.481 1 1 1707 . 6 1 1 A 135 135 GLU H H 135 7.611 8.264 -0.653 1 1 1708 . 6 1 1 A 135 135 GLU HA H 135 3.972 3.957 0.015 1 1 1713 . 6 1 1 A 135 135 GLU C C 135 179.834 179.294 0.540 1 1 1714 . 6 1 1 A 135 135 GLU CA C 135 59.325 59.677 -0.352 1 1 1715 . 6 1 1 A 135 135 GLU CB C 135 29.134 29.425 -0.291 1 1 1717 . 6 1 1 A 135 135 GLU N N 135 116.026 117.776 -1.750 1 1 1718 . 6 1 1 A 136 136 ARG H H 136 7.789 8.140 -0.351 1 1 1719 . 6 1 1 A 136 136 ARG HA H 136 4.140 4.120 0.020 1 1 1726 . 6 1 1 A 136 136 ARG C C 136 179.083 179.133 -0.050 1 1 1727 . 6 1 1 A 136 136 ARG CA C 136 59.131 59.520 -0.389 1 1 1728 . 6 1 1 A 136 136 ARG CB C 136 30.368 30.043 0.325 1 1 1731 . 6 1 1 A 136 136 ARG N N 136 119.681 119.999 -0.318 1 1 1732 . 6 1 1 A 137 137 GLU H H 137 9.238 8.281 0.957 1 1 1733 . 6 1 1 A 137 137 GLU HA H 137 4.637 4.167 0.470 1 1 1738 . 6 1 1 A 137 137 GLU C C 137 178.817 178.774 0.043 1 1 1739 . 6 1 1 A 137 137 GLU CA C 137 58.036 59.318 -1.282 1 1 1740 . 6 1 1 A 137 137 GLU CB C 137 28.147 28.659 -0.512 1 1 1742 . 6 1 1 A 137 137 GLU N N 137 124.333 118.360 5.973 1 1 1743 . 6 1 1 A 138 138 LYS H H 138 8.788 8.395 0.393 1 1 1744 . 6 1 1 A 138 138 LYS HA H 138 3.899 4.069 -0.170 1 1 1753 . 6 1 1 A 138 138 LYS C C 138 179.944 179.690 0.254 1 1 1754 . 6 1 1 A 138 138 LYS CA C 138 60.754 59.637 1.117 1 1 1755 . 6 1 1 A 138 138 LYS CB C 138 32.789 32.481 0.308 1 1 1759 . 6 1 1 A 138 138 LYS N N 138 119.622 119.788 -0.166 1 1 1760 . 6 1 1 A 139 139 LYS H H 139 7.313 7.704 -0.391 1 1 1761 . 6 1 1 A 139 139 LYS HA H 139 4.070 3.980 0.090 1 1 1770 . 6 1 1 A 139 139 LYS C C 139 178.235 179.141 -0.906 1 1 1771 . 6 1 1 A 139 139 LYS CA C 139 59.166 60.076 -0.910 1 1 1772 . 6 1 1 A 139 139 LYS CB C 139 32.424 32.248 0.176 1 1 1776 . 6 1 1 A 139 139 LYS N N 139 117.326 119.234 -1.908 1 1 1777 . 6 1 1 A 140 140 ARG H H 140 8.344 7.939 0.405 1 1 1778 . 6 1 1 A 140 140 ARG HA H 140 4.080 4.186 -0.106 1 1 1786 . 6 1 1 A 140 140 ARG C C 140 179.531 178.538 0.993 1 1 1787 . 6 1 1 A 140 140 ARG CA C 140 59.184 58.634 0.550 1 1 1788 . 6 1 1 A 140 140 ARG CB C 140 31.190 30.003 1.187 1 1 1791 . 6 1 1 A 140 140 ARG N N 140 121.404 118.716 2.688 1 1 1793 . 6 1 1 A 141 141 ARG H H 141 8.171 7.918 0.253 1 1 1794 . 6 1 1 A 141 141 ARG HA H 141 4.034 4.166 -0.132 1 1 1802 . 6 1 1 A 141 141 ARG C C 141 178.671 178.605 0.066 1 1 1803 . 6 1 1 A 141 141 ARG CA C 141 58.337 58.587 -0.250 1 1 1804 . 6 1 1 A 141 141 ARG CB C 141 30.327 29.808 0.519 1 1 1807 . 6 1 1 A 141 141 ARG N N 141 115.667 119.039 -3.372 1 1 1809 . 6 1 1 A 142 142 ILE H H 142 7.521 7.794 -0.273 1 1 1810 . 6 1 1 A 142 142 ILE HA H 142 4.074 3.680 0.394 1 1 1820 . 6 1 1 A 142 142 ILE C C 142 177.787 177.921 -0.134 1 1 1821 . 6 1 1 A 142 142 ILE CA C 142 63.178 64.953 -1.775 1 1 1822 . 6 1 1 A 142 142 ILE CB C 142 38.346 37.784 0.562 1 1 1826 . 6 1 1 A 142 142 ILE N N 142 118.031 120.224 -2.193 1 1 1827 . 6 1 1 A 143 143 GLU H H 143 8.041 8.045 -0.004 1 1 1828 . 6 1 1 A 143 143 GLU HA H 143 4.251 4.018 0.233 1 1 1833 . 6 1 1 A 143 143 GLU C C 143 177.217 176.892 0.325 1 1 1834 . 6 1 1 A 143 143 GLU CA C 143 57.595 59.219 -1.624 1 1 1835 . 6 1 1 A 143 143 GLU CB C 143 29.998 29.721 0.277 1 1 1837 . 6 1 1 A 143 143 GLU N N 143 120.963 120.162 0.801 1 1 1838 . 6 1 1 A 144 144 SER H H 144 8.041 7.494 0.547 1 1 1839 . 6 1 1 A 144 144 SER HA H 144 4.538 4.479 0.059 1 1 1842 . 6 1 1 A 144 144 SER C C 144 174.721 172.631 2.090 1 1 1843 . 6 1 1 A 144 144 SER CA C 144 58.801 58.412 0.389 1 1 1844 . 6 1 1 A 144 144 SER CB C 144 64.126 62.389 1.737 1 1 1845 . 6 1 1 A 144 144 SER N N 144 114.646 114.276 0.370 1 1 1846 . 6 1 1 A 145 145 GLY H H 145 7.982 8.875 -0.893 1 1 1847 . 6 1 1 A 145 145 GLY HA2 H 145 4.102 4.227 -0.125 1 1 1848 . 6 1 1 A 145 145 GLY HA3 H 145 4.231 4.228 0.003 1 1 1849 . 6 1 1 A 145 145 GLY C C 145 171.800 171.704 0.096 1 1 1850 . 6 1 1 A 145 145 GLY CA C 145 44.854 45.418 -0.564 1 1 1851 . 6 1 1 A 145 145 GLY N N 145 110.299 110.124 0.175 1 1 1852 . 6 1 1 A 146 146 PRO HA H 146 4.510 4.693 -0.183 1 1 1859 . 6 1 1 A 146 146 PRO C C 146 177.496 175.860 1.636 1 1 1860 . 6 1 1 A 146 146 PRO CA C 146 63.313 62.550 0.763 1 1 1861 . 6 1 1 A 146 146 PRO CB C 146 32.177 33.354 -1.177 1 1 1864 . 6 1 1 A 147 147 SER H H 147 8.530 8.433 0.097 1 1 1865 . 6 1 1 A 147 147 SER C C 147 174.721 174.518 0.203 1 1 1866 . 6 1 1 A 147 147 SER CA C 147 58.390 56.402 1.988 1 1 1867 . 6 1 1 A 147 147 SER CB C 147 63.803 66.324 -2.521 1 1 1868 . 6 1 1 A 147 147 SER N N 147 116.436 115.079 1.357 1 1 1869 . 6 1 1 A 148 148 SER H H 148 8.348 9.091 -0.743 1 1 1870 . 6 1 1 A 148 148 SER C C 148 173.957 174.426 -0.469 1 1 1871 . 6 1 1 A 148 148 SER CA C 148 58.372 60.227 -1.855 1 1 1872 . 6 1 1 A 148 148 SER CB C 148 64.008 62.800 1.208 1 1 1 . 7 1 1 A 8 8 GLN HA H 8 4.221 5.106 -0.885 1 1 8 . 7 1 1 A 8 8 GLN CA C 8 56.851 54.069 2.782 1 1 9 . 7 1 1 A 8 8 GLN CB C 8 28.887 33.339 -4.452 1 1 12 . 7 1 1 A 9 9 GLU H H 9 8.480 8.977 -0.497 1 1 13 . 7 1 1 A 9 9 GLU HA H 9 4.166 4.449 -0.283 1 1 18 . 7 1 1 A 9 9 GLU CA C 9 58.333 57.898 0.435 1 1 19 . 7 1 1 A 9 9 GLU CB C 9 29.545 31.986 -2.441 1 1 21 . 7 1 1 A 9 9 GLU N N 9 121.149 120.332 0.817 1 1 22 . 7 1 1 A 10 10 ARG H H 10 8.336 8.068 0.268 1 1 23 . 7 1 1 A 10 10 ARG HA H 10 4.131 4.048 0.083 1 1 30 . 7 1 1 A 10 10 ARG C C 10 177.350 176.123 1.227 1 1 31 . 7 1 1 A 10 10 ARG CA C 10 57.731 56.941 0.790 1 1 32 . 7 1 1 A 10 10 ARG CB C 10 30.061 29.109 0.952 1 1 35 . 7 1 1 A 10 10 ARG N N 10 120.177 119.605 0.572 1 1 36 . 7 1 1 A 11 11 LEU H H 11 7.741 8.590 -0.849 1 1 37 . 7 1 1 A 11 11 LEU HA H 11 4.219 4.153 0.066 1 1 44 . 7 1 1 A 11 11 LEU CA C 11 56.781 57.978 -1.197 1 1 45 . 7 1 1 A 11 11 LEU CB C 11 41.875 42.234 -0.359 1 1 49 . 7 1 1 A 11 11 LEU N N 11 120.410 127.198 -6.788 1 1 50 . 7 1 1 A 12 12 LYS H H 12 7.816 8.035 -0.219 1 1 51 . 7 1 1 A 12 12 LYS HA H 12 4.091 3.819 0.272 1 1 60 . 7 1 1 A 12 12 LYS CA C 12 58.234 57.272 0.962 1 1 61 . 7 1 1 A 12 12 LYS CB C 12 32.530 30.502 2.028 1 1 65 . 7 1 1 A 12 12 LYS N N 12 119.365 117.598 1.767 1 1 66 . 7 1 1 A 13 13 ILE H H 13 7.851 7.780 0.071 1 1 67 . 7 1 1 A 13 13 ILE HA H 13 3.951 4.920 -0.969 1 1 77 . 7 1 1 A 13 13 ILE C C 13 176.914 174.555 2.359 1 1 78 . 7 1 1 A 13 13 ILE CA C 13 62.713 59.612 3.101 1 1 79 . 7 1 1 A 13 13 ILE CB C 13 38.264 40.558 -2.294 1 1 83 . 7 1 1 A 14 14 THR H H 14 7.750 9.142 -1.392 1 1 84 . 7 1 1 A 14 14 THR HA H 14 4.021 4.788 -0.767 1 1 88 . 7 1 1 A 14 14 THR C C 14 174.818 173.271 1.547 1 1 89 . 7 1 1 A 14 14 THR CA C 14 63.172 61.527 1.645 1 1 90 . 7 1 1 A 14 14 THR CB C 14 68.985 70.352 -1.367 1 1 92 . 7 1 1 A 14 14 THR N N 14 110.999 121.833 -10.834 1 1 93 . 7 1 1 A 15 15 ALA H H 15 7.922 8.666 -0.744 1 1 94 . 7 1 1 A 15 15 ALA HA H 15 4.141 4.369 -0.228 1 1 98 . 7 1 1 A 15 15 ALA C C 15 177.593 176.140 1.453 1 1 99 . 7 1 1 A 15 15 ALA CA C 15 53.007 51.689 1.318 1 1 100 . 7 1 1 A 15 15 ALA CB C 15 18.747 17.512 1.235 1 1 101 . 7 1 1 A 15 15 ALA N N 15 122.429 129.484 -7.055 1 1 102 . 7 1 1 A 16 16 LEU H H 16 7.442 7.483 -0.041 1 1 103 . 7 1 1 A 16 16 LEU HA H 16 4.653 4.580 0.073 1 1 112 . 7 1 1 A 16 16 LEU C C 16 173.182 175.083 -1.901 1 1 113 . 7 1 1 A 16 16 LEU CA C 16 51.524 51.296 0.228 1 1 114 . 7 1 1 A 16 16 LEU CB C 16 45.831 41.954 3.877 1 1 118 . 7 1 1 A 16 16 LEU N N 16 120.226 121.414 -1.188 1 1 119 . 7 1 1 A 17 17 PRO HA H 17 4.140 4.715 -0.575 1 1 126 . 7 1 1 A 17 17 PRO C C 17 174.296 176.446 -2.150 1 1 127 . 7 1 1 A 17 17 PRO CA C 17 62.007 62.311 -0.304 1 1 128 . 7 1 1 A 17 17 PRO CB C 17 32.013 31.843 0.170 1 1 131 . 7 1 1 A 18 18 LEU H H 18 8.071 8.206 -0.135 1 1 132 . 7 1 1 A 18 18 LEU HA H 18 4.097 4.043 0.054 1 1 142 . 7 1 1 A 18 18 LEU C C 18 176.974 175.791 1.183 1 1 143 . 7 1 1 A 18 18 LEU CA C 18 55.043 55.895 -0.852 1 1 144 . 7 1 1 A 18 18 LEU CB C 18 42.376 42.343 0.033 1 1 148 . 7 1 1 A 18 18 LEU N N 18 119.963 124.069 -4.106 1 1 149 . 7 1 1 A 19 19 TYR H H 19 9.108 8.990 0.118 1 1 150 . 7 1 1 A 19 19 TYR HA H 19 5.121 4.634 0.487 1 1 157 . 7 1 1 A 19 19 TYR C C 19 174.515 175.359 -0.844 1 1 158 . 7 1 1 A 19 19 TYR CA C 19 55.160 58.842 -3.682 1 1 159 . 7 1 1 A 19 19 TYR CB C 19 39.292 40.413 -1.121 1 1 164 . 7 1 1 A 19 19 TYR N N 19 127.955 124.950 3.005 1 1 165 . 7 1 1 A 20 20 PHE H H 20 7.560 6.967 0.593 1 1 166 . 7 1 1 A 20 20 PHE HA H 20 4.281 4.560 -0.279 1 1 174 . 7 1 1 A 20 20 PHE C C 20 171.170 172.966 -1.796 1 1 175 . 7 1 1 A 20 20 PHE CA C 20 57.031 57.864 -0.833 1 1 176 . 7 1 1 A 20 20 PHE CB C 20 40.937 41.539 -0.602 1 1 182 . 7 1 1 A 20 20 PHE N N 20 115.328 117.075 -1.747 1 1 183 . 7 1 1 A 21 21 GLU H H 21 5.556 8.378 -2.822 1 1 184 . 7 1 1 A 21 21 GLU HA H 21 5.191 4.756 0.435 1 1 189 . 7 1 1 A 21 21 GLU C C 21 173.024 174.247 -1.223 1 1 190 . 7 1 1 A 21 21 GLU CA C 21 53.025 53.886 -0.861 1 1 191 . 7 1 1 A 21 21 GLU CB C 21 31.760 33.550 -1.790 1 1 193 . 7 1 1 A 21 21 GLU N N 21 118.643 122.240 -3.597 1 1 194 . 7 1 1 A 22 22 GLY H H 22 7.721 7.374 0.347 1 1 195 . 7 1 1 A 22 22 GLY HA2 H 22 4.024 3.878 0.146 1 1 196 . 7 1 1 A 22 22 GLY HA3 H 22 3.107 4.046 -0.939 1 1 197 . 7 1 1 A 22 22 GLY C C 22 171.994 172.264 -0.270 1 1 198 . 7 1 1 A 22 22 GLY CA C 22 45.013 45.244 -0.231 1 1 199 . 7 1 1 A 22 22 GLY N N 22 106.155 106.287 -0.132 1 1 200 . 7 1 1 A 23 23 PHE H H 23 8.881 8.604 0.277 1 1 201 . 7 1 1 A 23 23 PHE HA H 23 5.303 4.605 0.698 1 1 209 . 7 1 1 A 23 23 PHE C C 23 176.926 175.100 1.826 1 1 210 . 7 1 1 A 23 23 PHE CA C 23 60.013 59.016 0.997 1 1 211 . 7 1 1 A 23 23 PHE CB C 23 40.937 39.019 1.918 1 1 217 . 7 1 1 A 23 23 PHE N N 23 119.442 120.815 -1.373 1 1 218 . 7 1 1 A 24 24 LEU H H 24 9.072 8.568 0.504 1 1 219 . 7 1 1 A 24 24 LEU HA H 24 4.562 4.949 -0.387 1 1 229 . 7 1 1 A 24 24 LEU C C 24 174.406 174.373 0.033 1 1 230 . 7 1 1 A 24 24 LEU CA C 24 54.437 53.592 0.845 1 1 231 . 7 1 1 A 24 24 LEU CB C 24 48.381 45.022 3.359 1 1 235 . 7 1 1 A 24 24 LEU N N 24 122.488 126.154 -3.666 1 1 236 . 7 1 1 A 25 25 LEU H H 25 8.120 8.500 -0.380 1 1 237 . 7 1 1 A 25 25 LEU HA H 25 5.480 5.303 0.177 1 1 247 . 7 1 1 A 25 25 LEU C C 25 176.175 175.061 1.114 1 1 248 . 7 1 1 A 25 25 LEU CA C 25 54.242 53.591 0.651 1 1 249 . 7 1 1 A 25 25 LEU CB C 25 42.576 42.898 -0.322 1 1 253 . 7 1 1 A 25 25 LEU N N 25 120.790 125.527 -4.737 1 1 254 . 7 1 1 A 26 26 ILE H H 26 9.110 8.477 0.633 1 1 255 . 7 1 1 A 26 26 ILE HA H 26 5.232 4.580 0.652 1 1 265 . 7 1 1 A 26 26 ILE C C 26 174.757 174.240 0.517 1 1 266 . 7 1 1 A 26 26 ILE CA C 26 57.613 59.317 -1.704 1 1 267 . 7 1 1 A 26 26 ILE CB C 26 41.343 38.511 2.832 1 1 271 . 7 1 1 A 26 26 ILE N N 26 120.679 125.226 -4.547 1 1 272 . 7 1 1 A 27 27 LYS H H 27 9.150 8.570 0.580 1 1 273 . 7 1 1 A 27 27 LYS HA H 27 4.425 4.157 0.268 1 1 282 . 7 1 1 A 27 27 LYS C C 27 175.557 175.537 0.020 1 1 283 . 7 1 1 A 27 27 LYS CA C 27 56.095 54.602 1.493 1 1 284 . 7 1 1 A 27 27 LYS CB C 27 35.056 32.406 2.650 1 1 288 . 7 1 1 A 27 27 LYS N N 27 127.778 129.329 -1.551 1 1 289 . 7 1 1 A 28 28 ARG H H 28 5.868 7.982 -2.114 1 1 290 . 7 1 1 A 28 28 ARG HA H 28 4.429 4.379 0.050 1 1 298 . 7 1 1 A 28 28 ARG C C 28 176.078 176.590 -0.512 1 1 299 . 7 1 1 A 28 28 ARG CA C 28 54.542 56.282 -1.740 1 1 300 . 7 1 1 A 28 28 ARG CB C 28 31.602 31.500 0.102 1 1 303 . 7 1 1 A 28 28 ARG N N 28 124.548 126.014 -1.466 1 1 305 . 7 1 1 A 29 29 SER H H 29 9.067 8.604 0.463 1 1 306 . 7 1 1 A 29 29 SER HA H 29 4.181 4.524 -0.343 1 1 309 . 7 1 1 A 29 29 SER C C 29 176.066 174.366 1.700 1 1 310 . 7 1 1 A 29 29 SER CA C 29 61.019 57.740 3.279 1 1 311 . 7 1 1 A 29 29 SER CB C 29 63.057 62.287 0.770 1 1 312 . 7 1 1 A 29 29 SER N N 29 116.823 115.896 0.927 1 1 313 . 7 1 1 A 30 30 GLY HA2 H 30 3.810 4.074 -0.264 1 1 314 . 7 1 1 A 30 30 GLY HA3 H 30 4.172 4.102 0.070 1 1 315 . 7 1 1 A 30 30 GLY CA C 30 45.171 45.447 -0.276 1 1 316 . 7 1 1 A 31 31 TYR H H 31 8.001 8.374 -0.373 1 1 317 . 7 1 1 A 31 31 TYR HA H 31 4.729 4.928 -0.199 1 1 324 . 7 1 1 A 31 31 TYR CB C 31 37.249 41.130 -3.881 1 1 329 . 7 1 1 A 31 31 TYR N N 31 121.120 119.357 1.763 1 1 330 . 7 1 1 A 32 32 ARG HA H 32 4.204 4.106 0.098 1 1 337 . 7 1 1 A 32 32 ARG C C 32 176.066 176.126 -0.060 1 1 338 . 7 1 1 A 32 32 ARG CA C 32 57.631 58.567 -0.936 1 1 339 . 7 1 1 A 32 32 ARG CB C 32 30.861 30.560 0.301 1 1 342 . 7 1 1 A 33 33 GLU H H 33 7.700 7.744 -0.044 1 1 343 . 7 1 1 A 33 33 GLU HA H 33 4.600 4.386 0.214 1 1 348 . 7 1 1 A 33 33 GLU C C 33 175.569 174.624 0.945 1 1 349 . 7 1 1 A 33 33 GLU CA C 33 53.695 55.521 -1.826 1 1 350 . 7 1 1 A 33 33 GLU CB C 33 33.000 31.593 1.407 1 1 352 . 7 1 1 A 33 33 GLU N N 33 115.988 114.198 1.790 1 1 353 . 7 1 1 A 34 34 TYR H H 34 8.755 8.391 0.364 1 1 354 . 7 1 1 A 34 34 TYR HA H 34 4.311 4.251 0.060 1 1 361 . 7 1 1 A 34 34 TYR C C 34 176.999 175.724 1.275 1 1 362 . 7 1 1 A 34 34 TYR CA C 34 59.537 59.688 -0.151 1 1 363 . 7 1 1 A 34 34 TYR CB C 34 39.744 38.874 0.870 1 1 368 . 7 1 1 A 34 34 TYR N N 34 118.663 121.499 -2.836 1 1 369 . 7 1 1 A 35 35 GLU H H 35 9.024 8.538 0.486 1 1 370 . 7 1 1 A 35 35 GLU HA H 35 4.401 4.839 -0.438 1 1 375 . 7 1 1 A 35 35 GLU C C 35 174.406 175.439 -1.033 1 1 376 . 7 1 1 A 35 35 GLU CA C 35 54.330 54.903 -0.573 1 1 377 . 7 1 1 A 35 35 GLU CB C 35 31.972 32.318 -0.346 1 1 379 . 7 1 1 A 35 35 GLU N N 35 122.488 123.896 -1.408 1 1 380 . 7 1 1 A 36 36 HIS H H 36 8.639 8.864 -0.225 1 1 381 . 7 1 1 A 36 36 HIS HA H 36 4.980 5.031 -0.051 1 1 386 . 7 1 1 A 36 36 HIS C C 36 174.127 174.159 -0.032 1 1 387 . 7 1 1 A 36 36 HIS CA C 36 55.607 54.823 0.784 1 1 388 . 7 1 1 A 36 36 HIS CB C 36 31.396 30.013 1.383 1 1 391 . 7 1 1 A 36 36 HIS N N 36 123.767 120.591 3.176 1 1 392 . 7 1 1 A 37 37 TYR H H 37 8.931 9.008 -0.077 1 1 393 . 7 1 1 A 37 37 TYR HA H 37 5.668 5.063 0.605 1 1 400 . 7 1 1 A 37 37 TYR C C 37 177.969 175.135 2.834 1 1 401 . 7 1 1 A 37 37 TYR CA C 37 55.407 56.609 -1.202 1 1 402 . 7 1 1 A 37 37 TYR CB C 37 42.089 42.292 -0.203 1 1 407 . 7 1 1 A 37 37 TYR N N 37 124.075 122.573 1.502 1 1 408 . 7 1 1 A 38 38 TRP H H 38 8.931 9.683 -0.752 1 1 409 . 7 1 1 A 38 38 TRP HA H 38 4.329 4.824 -0.495 1 1 418 . 7 1 1 A 38 38 TRP C C 38 174.345 175.195 -0.850 1 1 419 . 7 1 1 A 38 38 TRP CA C 38 58.230 56.297 1.933 1 1 420 . 7 1 1 A 38 38 TRP CB C 38 28.846 28.965 -0.119 1 1 426 . 7 1 1 A 38 38 TRP N N 38 125.317 126.627 -1.310 1 1 428 . 7 1 1 A 39 39 THR H H 39 8.366 8.997 -0.631 1 1 429 . 7 1 1 A 39 39 THR HA H 39 5.535 4.893 0.642 1 1 434 . 7 1 1 A 39 39 THR C C 39 173.303 174.154 -0.851 1 1 435 . 7 1 1 A 39 39 THR CA C 39 62.037 63.201 -1.164 1 1 436 . 7 1 1 A 39 39 THR CB C 39 70.295 69.668 0.627 1 1 438 . 7 1 1 A 39 39 THR N N 39 127.024 122.192 4.832 1 1 439 . 7 1 1 A 40 40 GLU H H 40 8.902 9.566 -0.664 1 1 440 . 7 1 1 A 40 40 GLU HA H 40 4.816 4.747 0.069 1 1 445 . 7 1 1 A 40 40 GLU C C 40 175.351 174.667 0.684 1 1 446 . 7 1 1 A 40 40 GLU CA C 40 53.607 54.666 -1.059 1 1 447 . 7 1 1 A 40 40 GLU CB C 40 34.639 33.408 1.231 1 1 449 . 7 1 1 A 40 40 GLU N N 40 120.613 125.862 -5.249 1 1 450 . 7 1 1 A 41 41 LEU H H 41 8.910 9.404 -0.494 1 1 451 . 7 1 1 A 41 41 LEU HA H 41 5.168 5.067 0.101 1 1 461 . 7 1 1 A 41 41 LEU C C 41 174.806 174.713 0.093 1 1 462 . 7 1 1 A 41 41 LEU CA C 41 53.872 54.411 -0.539 1 1 463 . 7 1 1 A 41 41 LEU CB C 41 43.610 43.325 0.285 1 1 467 . 7 1 1 A 41 41 LEU N N 41 123.682 126.934 -3.252 1 1 468 . 7 1 1 A 42 42 ARG H H 42 9.150 8.296 0.854 1 1 469 . 7 1 1 A 42 42 ARG HA H 42 5.182 4.323 0.859 1 1 474 . 7 1 1 A 42 42 ARG C C 42 176.272 176.290 -0.018 1 1 475 . 7 1 1 A 42 42 ARG CA C 42 53.643 54.573 -0.930 1 1 476 . 7 1 1 A 42 42 ARG CB C 42 33.205 33.034 0.171 1 1 479 . 7 1 1 A 42 42 ARG N N 42 127.645 125.893 1.752 1 1 480 . 7 1 1 A 43 43 GLY H H 43 6.304 7.976 -1.672 1 1 481 . 7 1 1 A 43 43 GLY HA2 H 43 3.917 3.818 0.099 1 1 482 . 7 1 1 A 43 43 GLY HA3 H 43 3.812 3.922 -0.110 1 1 483 . 7 1 1 A 43 43 GLY C C 43 171.630 174.815 -3.185 1 1 484 . 7 1 1 A 43 43 GLY CA C 43 47.025 47.208 -0.183 1 1 485 . 7 1 1 A 43 43 GLY N N 43 112.565 112.939 -0.374 1 1 486 . 7 1 1 A 44 44 THR H H 44 7.841 8.486 -0.645 1 1 487 . 7 1 1 A 44 44 THR HA H 44 4.313 4.718 -0.405 1 1 492 . 7 1 1 A 44 44 THR C C 44 172.515 173.481 -0.966 1 1 493 . 7 1 1 A 44 44 THR CA C 44 60.207 60.940 -0.733 1 1 494 . 7 1 1 A 44 44 THR CB C 44 68.320 69.953 -1.633 1 1 496 . 7 1 1 A 44 44 THR N N 44 111.769 118.303 -6.534 1 1 497 . 7 1 1 A 45 45 THR H H 45 8.500 8.028 0.472 1 1 498 . 7 1 1 A 45 45 THR HA H 45 4.664 4.785 -0.121 1 1 503 . 7 1 1 A 45 45 THR C C 45 172.224 173.654 -1.430 1 1 504 . 7 1 1 A 45 45 THR CA C 45 62.413 61.730 0.683 1 1 505 . 7 1 1 A 45 45 THR CB C 45 69.848 70.874 -1.026 1 1 507 . 7 1 1 A 45 45 THR N N 45 118.681 117.076 1.605 1 1 508 . 7 1 1 A 46 46 LEU H H 46 8.391 8.512 -0.121 1 1 509 . 7 1 1 A 46 46 LEU HA H 46 4.892 4.574 0.318 1 1 519 . 7 1 1 A 46 46 LEU C C 46 174.260 175.537 -1.277 1 1 520 . 7 1 1 A 46 46 LEU CA C 46 52.654 54.191 -1.537 1 1 521 . 7 1 1 A 46 46 LEU CB C 46 42.911 42.513 0.398 1 1 525 . 7 1 1 A 46 46 LEU N N 46 125.559 128.007 -2.448 1 1 526 . 7 1 1 A 47 47 PHE H H 47 9.131 9.063 0.068 1 1 527 . 7 1 1 A 47 47 PHE HA H 47 3.940 4.528 -0.588 1 1 535 . 7 1 1 A 47 47 PHE C C 47 173.363 174.000 -0.637 1 1 536 . 7 1 1 A 47 47 PHE CA C 47 57.454 55.739 1.715 1 1 537 . 7 1 1 A 47 47 PHE CB C 47 42.747 41.040 1.707 1 1 543 . 7 1 1 A 47 47 PHE N N 47 121.095 122.568 -1.473 1 1 544 . 7 1 1 A 48 48 PHE H H 48 7.881 9.174 -1.293 1 1 545 . 7 1 1 A 48 48 PHE HA H 48 5.021 5.423 -0.402 1 1 553 . 7 1 1 A 48 48 PHE C C 48 173.727 174.507 -0.780 1 1 554 . 7 1 1 A 48 48 PHE CA C 48 56.166 54.936 1.230 1 1 555 . 7 1 1 A 48 48 PHE CB C 48 39.169 40.839 -1.670 1 1 561 . 7 1 1 A 48 48 PHE N N 48 120.063 122.354 -2.291 1 1 562 . 7 1 1 A 49 49 TYR H H 49 9.972 9.370 0.602 1 1 563 . 7 1 1 A 49 49 TYR HA H 49 5.190 5.243 -0.053 1 1 570 . 7 1 1 A 49 49 TYR C C 49 176.587 176.172 0.415 1 1 571 . 7 1 1 A 49 49 TYR CA C 49 56.254 56.687 -0.433 1 1 572 . 7 1 1 A 49 49 TYR CB C 49 41.842 43.160 -1.318 1 1 577 . 7 1 1 A 49 49 TYR N N 49 121.415 121.091 0.324 1 1 578 . 7 1 1 A 50 50 THR H H 50 9.511 9.150 0.361 1 1 579 . 7 1 1 A 50 50 THR HA H 50 4.571 4.725 -0.154 1 1 584 . 7 1 1 A 50 50 THR C C 50 174.793 174.545 0.248 1 1 585 . 7 1 1 A 50 50 THR CA C 50 65.361 63.255 2.106 1 1 586 . 7 1 1 A 50 50 THR CB C 50 69.043 69.471 -0.428 1 1 588 . 7 1 1 A 50 50 THR N N 50 114.446 114.997 -0.551 1 1 589 . 7 1 1 A 51 51 ASP H H 51 7.828 7.984 -0.156 1 1 590 . 7 1 1 A 51 51 ASP HA H 51 4.803 5.078 -0.275 1 1 593 . 7 1 1 A 51 51 ASP C C 51 174.685 175.955 -1.270 1 1 594 . 7 1 1 A 51 51 ASP CA C 51 53.254 52.966 0.288 1 1 595 . 7 1 1 A 51 51 ASP CB C 51 43.586 44.763 -1.177 1 1 596 . 7 1 1 A 51 51 ASP N N 51 115.656 120.162 -4.506 1 1 597 . 7 1 1 A 52 52 LYS H H 52 8.271 8.466 -0.195 1 1 598 . 7 1 1 A 52 52 LYS HA H 52 2.800 3.536 -0.736 1 1 607 . 7 1 1 A 52 52 LYS C C 52 176.671 178.037 -1.366 1 1 608 . 7 1 1 A 52 52 LYS CA C 52 58.372 59.291 -0.919 1 1 609 . 7 1 1 A 52 52 LYS CB C 52 32.178 31.748 0.430 1 1 613 . 7 1 1 A 52 52 LYS N N 52 119.009 123.004 -3.995 1 1 614 . 7 1 1 A 53 53 LYS H H 53 8.068 7.735 0.333 1 1 615 . 7 1 1 A 53 53 LYS HA H 53 4.109 4.156 -0.047 1 1 624 . 7 1 1 A 53 53 LYS C C 53 176.950 177.594 -0.644 1 1 625 . 7 1 1 A 53 53 LYS CA C 53 55.830 59.005 -3.175 1 1 626 . 7 1 1 A 53 53 LYS CB C 53 32.301 32.074 0.227 1 1 630 . 7 1 1 A 53 53 LYS N N 53 116.395 118.785 -2.390 1 1 631 . 7 1 1 A 54 54 SER H H 54 7.549 7.707 -0.158 1 1 632 . 7 1 1 A 54 54 SER HA H 54 4.316 4.342 -0.026 1 1 635 . 7 1 1 A 54 54 SER C C 54 174.394 174.001 0.393 1 1 636 . 7 1 1 A 54 54 SER CA C 54 59.395 60.793 -1.398 1 1 637 . 7 1 1 A 54 54 SER CB C 54 64.337 63.851 0.486 1 1 638 . 7 1 1 A 54 54 SER N N 54 116.653 114.797 1.856 1 1 639 . 7 1 1 A 55 55 ILE H H 55 8.424 9.080 -0.656 1 1 640 . 7 1 1 A 55 55 ILE HA H 55 4.267 4.236 0.031 1 1 650 . 7 1 1 A 55 55 ILE C C 55 174.999 176.206 -1.207 1 1 651 . 7 1 1 A 55 55 ILE CA C 55 62.213 62.797 -0.584 1 1 652 . 7 1 1 A 55 55 ILE CB C 55 38.728 38.640 0.088 1 1 656 . 7 1 1 A 55 55 ILE N N 55 118.660 126.366 -7.706 1 1 657 . 7 1 1 A 56 56 ILE H H 56 7.771 7.654 0.117 1 1 658 . 7 1 1 A 56 56 ILE HA H 56 4.561 4.343 0.218 1 1 668 . 7 1 1 A 56 56 ILE C C 56 175.266 175.075 0.191 1 1 669 . 7 1 1 A 56 56 ILE CA C 56 59.342 60.306 -0.964 1 1 670 . 7 1 1 A 56 56 ILE CB C 56 39.506 37.735 1.771 1 1 674 . 7 1 1 A 56 56 ILE N N 56 119.568 121.421 -1.853 1 1 675 . 7 1 1 A 57 57 TYR H H 57 7.251 8.925 -1.674 1 1 676 . 7 1 1 A 57 57 TYR HA H 57 4.261 4.196 0.065 1 1 683 . 7 1 1 A 57 57 TYR C C 57 174.902 176.332 -1.430 1 1 684 . 7 1 1 A 57 57 TYR CA C 57 56.201 57.675 -1.474 1 1 685 . 7 1 1 A 57 57 TYR CB C 57 37.230 38.907 -1.677 1 1 690 . 7 1 1 A 58 58 VAL H H 58 9.157 8.154 1.003 1 1 691 . 7 1 1 A 58 58 VAL HA H 58 4.251 3.898 0.353 1 1 699 . 7 1 1 A 58 58 VAL C C 58 175.812 174.758 1.054 1 1 700 . 7 1 1 A 58 58 VAL CA C 58 62.360 64.857 -2.497 1 1 701 . 7 1 1 A 58 58 VAL CB C 58 33.123 32.268 0.855 1 1 704 . 7 1 1 A 58 58 VAL N N 58 116.888 121.306 -4.418 1 1 705 . 7 1 1 A 59 59 ASP H H 59 7.990 7.460 0.530 1 1 706 . 7 1 1 A 59 59 ASP HA H 59 4.970 5.145 -0.175 1 1 709 . 7 1 1 A 59 59 ASP C C 59 172.346 174.107 -1.761 1 1 710 . 7 1 1 A 59 59 ASP CA C 59 52.601 54.075 -1.474 1 1 711 . 7 1 1 A 59 59 ASP CB C 59 42.952 44.196 -1.244 1 1 712 . 7 1 1 A 59 59 ASP N N 59 117.301 120.372 -3.071 1 1 713 . 7 1 1 A 60 60 LYS H H 60 8.991 8.807 0.184 1 1 714 . 7 1 1 A 60 60 LYS HA H 60 4.761 4.735 0.026 1 1 723 . 7 1 1 A 60 60 LYS C C 60 173.666 174.696 -1.030 1 1 724 . 7 1 1 A 60 60 LYS CA C 60 54.718 53.712 1.006 1 1 725 . 7 1 1 A 60 60 LYS CB C 60 35.097 35.889 -0.792 1 1 729 . 7 1 1 A 60 60 LYS N N 60 118.648 120.441 -1.793 1 1 730 . 7 1 1 A 61 61 LEU H H 61 8.702 8.866 -0.164 1 1 731 . 7 1 1 A 61 61 LEU HA H 61 4.462 4.996 -0.534 1 1 741 . 7 1 1 A 61 61 LEU C C 61 173.630 174.959 -1.329 1 1 742 . 7 1 1 A 61 61 LEU CA C 61 54.065 53.257 0.808 1 1 743 . 7 1 1 A 61 61 LEU CB C 61 47.032 46.163 0.869 1 1 747 . 7 1 1 A 61 61 LEU N N 61 121.890 121.327 0.563 1 1 748 . 7 1 1 A 62 62 ASP H H 62 8.868 8.673 0.195 1 1 749 . 7 1 1 A 62 62 ASP HA H 62 4.841 5.011 -0.170 1 1 752 . 7 1 1 A 62 62 ASP C C 62 178.029 174.979 3.050 1 1 753 . 7 1 1 A 62 62 ASP CA C 62 53.819 52.901 0.918 1 1 754 . 7 1 1 A 62 62 ASP CB C 62 40.772 44.297 -3.525 1 1 755 . 7 1 1 A 62 62 ASP N N 62 128.697 119.338 9.359 1 1 756 . 7 1 1 A 63 63 ILE H H 63 9.261 8.107 1.154 1 1 757 . 7 1 1 A 63 63 ILE HA H 63 4.554 4.613 -0.059 1 1 767 . 7 1 1 A 63 63 ILE C C 63 175.617 176.956 -1.339 1 1 768 . 7 1 1 A 63 63 ILE CA C 63 60.736 60.272 0.464 1 1 769 . 7 1 1 A 63 63 ILE CB C 63 38.364 37.840 0.524 1 1 773 . 7 1 1 A 63 63 ILE N N 63 120.253 121.116 -0.863 1 1 774 . 7 1 1 A 64 64 VAL H H 64 8.010 7.677 0.333 1 1 775 . 7 1 1 A 64 64 VAL HA H 64 3.781 3.910 -0.129 1 1 783 . 7 1 1 A 64 64 VAL C C 64 174.878 176.960 -2.082 1 1 784 . 7 1 1 A 64 64 VAL CA C 64 65.572 64.718 0.854 1 1 785 . 7 1 1 A 64 64 VAL CB C 64 30.532 31.784 -1.252 1 1 788 . 7 1 1 A 64 64 VAL N N 64 122.413 122.763 -0.350 1 1 789 . 7 1 1 A 65 65 ASP H H 65 8.391 7.720 0.671 1 1 790 . 7 1 1 A 65 65 ASP HA H 65 4.841 4.799 0.042 1 1 793 . 7 1 1 A 65 65 ASP C C 65 174.854 175.727 -0.873 1 1 794 . 7 1 1 A 65 65 ASP CA C 65 53.483 53.523 -0.040 1 1 795 . 7 1 1 A 65 65 ASP CB C 65 40.114 41.234 -1.120 1 1 796 . 7 1 1 A 65 65 ASP N N 65 119.308 119.681 -0.373 1 1 797 . 7 1 1 A 66 66 LEU H H 66 7.517 7.076 0.441 1 1 798 . 7 1 1 A 66 66 LEU HA H 66 3.962 4.168 -0.206 1 1 808 . 7 1 1 A 66 66 LEU C C 66 176.708 177.481 -0.773 1 1 809 . 7 1 1 A 66 66 LEU CA C 66 57.471 56.392 1.079 1 1 810 . 7 1 1 A 66 66 LEU CB C 66 43.322 42.787 0.535 1 1 814 . 7 1 1 A 66 66 LEU N N 66 120.009 123.476 -3.467 1 1 815 . 7 1 1 A 67 67 THR H H 67 9.329 10.126 -0.797 1 1 816 . 7 1 1 A 67 67 THR HA H 67 4.363 4.296 0.067 1 1 821 . 7 1 1 A 67 67 THR C C 67 175.145 174.127 1.018 1 1 822 . 7 1 1 A 67 67 THR CA C 67 64.019 63.648 0.371 1 1 823 . 7 1 1 A 67 67 THR CB C 67 69.107 69.110 -0.003 1 1 825 . 7 1 1 A 67 67 THR N N 67 123.534 121.017 2.517 1 1 826 . 7 1 1 A 68 68 CYS H H 68 7.584 7.142 0.442 1 1 827 . 7 1 1 A 68 68 CYS HA H 68 4.604 4.736 -0.132 1 1 830 . 7 1 1 A 68 68 CYS C C 68 170.528 172.342 -1.814 1 1 831 . 7 1 1 A 68 68 CYS CA C 68 57.402 58.662 -1.260 1 1 832 . 7 1 1 A 68 68 CYS CB C 68 29.175 31.093 -1.918 1 1 833 . 7 1 1 A 68 68 CYS N N 68 115.015 116.113 -1.098 1 1 834 . 7 1 1 A 69 69 LEU H H 69 8.730 8.684 0.046 1 1 835 . 7 1 1 A 69 69 LEU HA H 69 5.411 5.098 0.313 1 1 845 . 7 1 1 A 69 69 LEU C C 69 176.356 175.863 0.493 1 1 846 . 7 1 1 A 69 69 LEU CA C 69 54.242 53.803 0.439 1 1 847 . 7 1 1 A 69 69 LEU CB C 69 44.885 45.459 -0.574 1 1 851 . 7 1 1 A 69 69 LEU N N 69 125.633 122.725 2.908 1 1 852 . 7 1 1 A 70 70 THR H H 70 9.197 8.723 0.474 1 1 853 . 7 1 1 A 70 70 THR HA H 70 4.702 5.206 -0.504 1 1 858 . 7 1 1 A 70 70 THR C C 70 173.582 173.525 0.057 1 1 859 . 7 1 1 A 70 70 THR CA C 70 60.384 59.931 0.453 1 1 860 . 7 1 1 A 70 70 THR CB C 70 70.870 71.326 -0.456 1 1 862 . 7 1 1 A 70 70 THR N N 70 120.391 117.871 2.520 1 1 863 . 7 1 1 A 71 71 GLU H H 71 8.965 8.899 0.066 1 1 864 . 7 1 1 A 71 71 GLU HA H 71 4.685 5.215 -0.530 1 1 869 . 7 1 1 A 71 71 GLU C C 71 175.957 175.689 0.268 1 1 870 . 7 1 1 A 71 71 GLU CA C 71 56.254 54.674 1.580 1 1 871 . 7 1 1 A 71 71 GLU CB C 71 31.396 32.170 -0.774 1 1 873 . 7 1 1 A 71 71 GLU N N 71 124.718 120.101 4.617 1 1 874 . 7 1 1 A 72 72 GLN H H 72 8.318 8.838 -0.520 1 1 875 . 7 1 1 A 72 72 GLN HA H 72 4.629 4.621 0.008 1 1 882 . 7 1 1 A 72 72 GLN C C 72 175.254 176.288 -1.034 1 1 883 . 7 1 1 A 72 72 GLN CA C 72 55.336 56.000 -0.664 1 1 884 . 7 1 1 A 72 72 GLN CB C 72 30.533 29.346 1.187 1 1 886 . 7 1 1 A 72 72 GLN N N 72 123.543 123.883 -0.340 1 1 888 . 7 1 1 A 73 73 ASN H H 73 8.670 8.584 0.086 1 1 889 . 7 1 1 A 73 73 ASN HA H 73 4.688 4.710 -0.022 1 1 894 . 7 1 1 A 73 73 ASN C C 73 175.229 174.590 0.639 1 1 895 . 7 1 1 A 73 73 ASN CA C 73 53.607 53.300 0.307 1 1 896 . 7 1 1 A 73 73 ASN CB C 73 39.169 39.280 -0.111 1 1 897 . 7 1 1 A 73 73 ASN N N 73 120.534 124.670 -4.136 1 1 899 . 7 1 1 A 74 74 SER H H 74 8.641 8.871 -0.230 1 1 900 . 7 1 1 A 74 74 SER HA H 74 4.652 4.646 0.006 1 1 903 . 7 1 1 A 74 74 SER C C 74 175.121 173.070 2.051 1 1 904 . 7 1 1 A 74 74 SER CA C 74 58.409 59.554 -1.145 1 1 905 . 7 1 1 A 74 74 SER CB C 74 64.401 65.441 -1.040 1 1 906 . 7 1 1 A 74 74 SER N N 74 117.448 116.154 1.294 1 1 907 . 7 1 1 A 75 75 THR HA H 75 4.282 4.871 -0.589 1 1 912 . 7 1 1 A 75 75 THR C C 75 174.878 173.618 1.260 1 1 913 . 7 1 1 A 75 75 THR CA C 75 62.819 61.188 1.631 1 1 914 . 7 1 1 A 75 75 THR CB C 75 69.061 72.900 -3.839 1 1 916 . 7 1 1 A 76 76 GLU H H 76 8.156 8.684 -0.528 1 1 917 . 7 1 1 A 76 76 GLU HA H 76 4.350 4.022 0.328 1 1 922 . 7 1 1 A 76 76 GLU C C 76 176.138 176.851 -0.713 1 1 923 . 7 1 1 A 76 76 GLU CA C 76 56.202 56.959 -0.757 1 1 924 . 7 1 1 A 76 76 GLU CB C 76 30.532 29.042 1.490 1 1 926 . 7 1 1 A 76 76 GLU N N 76 122.220 124.897 -2.677 1 1 927 . 7 1 1 A 77 77 LYS H H 77 8.443 8.591 -0.148 1 1 928 . 7 1 1 A 77 77 LYS HA H 77 4.221 3.985 0.236 1 1 937 . 7 1 1 A 77 77 LYS C C 77 176.465 174.841 1.624 1 1 938 . 7 1 1 A 77 77 LYS CA C 77 56.730 57.025 -0.295 1 1 939 . 7 1 1 A 77 77 LYS CB C 77 32.301 30.822 1.479 1 1 943 . 7 1 1 A 77 77 LYS N N 77 122.162 122.064 0.098 1 1 944 . 7 1 1 A 78 78 ASN H H 78 8.621 7.999 0.622 1 1 945 . 7 1 1 A 78 78 ASN HA H 78 4.641 4.962 -0.321 1 1 950 . 7 1 1 A 78 78 ASN C C 78 173.485 174.565 -1.080 1 1 951 . 7 1 1 A 78 78 ASN CA C 78 53.748 52.428 1.320 1 1 952 . 7 1 1 A 78 78 ASN CB C 78 38.058 39.875 -1.817 1 1 953 . 7 1 1 A 78 78 ASN N N 78 116.583 118.373 -1.790 1 1 955 . 7 1 1 A 79 79 CYS H H 79 7.551 8.554 -1.003 1 1 956 . 7 1 1 A 79 79 CYS HA H 79 4.371 4.422 -0.051 1 1 959 . 7 1 1 A 79 79 CYS C C 79 172.515 173.733 -1.218 1 1 960 . 7 1 1 A 79 79 CYS CA C 79 57.295 61.298 -4.003 1 1 961 . 7 1 1 A 79 79 CYS CB C 79 29.628 26.692 2.936 1 1 962 . 7 1 1 A 79 79 CYS N N 79 112.640 125.017 -12.377 1 1 963 . 7 1 1 A 80 80 ALA H H 80 7.642 8.627 -0.985 1 1 964 . 7 1 1 A 80 80 ALA HA H 80 4.727 5.110 -0.383 1 1 968 . 7 1 1 A 80 80 ALA C C 80 175.314 176.529 -1.215 1 1 969 . 7 1 1 A 80 80 ALA CA C 80 51.330 50.572 0.758 1 1 970 . 7 1 1 A 80 80 ALA CB C 80 21.896 20.657 1.239 1 1 971 . 7 1 1 A 80 80 ALA N N 80 124.099 125.650 -1.551 1 1 972 . 7 1 1 A 81 81 LYS H H 81 8.459 8.762 -0.303 1 1 973 . 7 1 1 A 81 81 LYS HA H 81 5.112 4.777 0.335 1 1 982 . 7 1 1 A 81 81 LYS C C 81 174.781 175.000 -0.219 1 1 983 . 7 1 1 A 81 81 LYS CA C 81 55.283 54.657 0.626 1 1 984 . 7 1 1 A 81 81 LYS CB C 81 36.133 34.767 1.366 1 1 988 . 7 1 1 A 81 81 LYS N N 81 119.796 123.359 -3.563 1 1 989 . 7 1 1 A 82 82 PHE H H 82 8.748 7.735 1.013 1 1 990 . 7 1 1 A 82 82 PHE HA H 82 5.513 5.552 -0.039 1 1 998 . 7 1 1 A 82 82 PHE C C 82 174.357 172.697 1.660 1 1 999 . 7 1 1 A 82 82 PHE CA C 82 55.643 55.695 -0.052 1 1 1000 . 7 1 1 A 82 82 PHE CB C 82 42.089 42.655 -0.566 1 1 1006 . 7 1 1 A 82 82 PHE N N 82 119.073 119.932 -0.859 1 1 1007 . 7 1 1 A 83 83 THR H H 83 9.290 8.414 0.876 1 1 1008 . 7 1 1 A 83 83 THR HA H 83 5.032 5.081 -0.049 1 1 1013 . 7 1 1 A 83 83 THR C C 83 173.472 174.129 -0.657 1 1 1014 . 7 1 1 A 83 83 THR CA C 83 62.113 61.603 0.510 1 1 1015 . 7 1 1 A 83 83 THR CB C 83 71.076 70.377 0.699 1 1 1017 . 7 1 1 A 83 83 THR N N 83 116.845 116.517 0.328 1 1 1018 . 7 1 1 A 84 84 LEU H H 84 9.502 9.617 -0.115 1 1 1019 . 7 1 1 A 84 84 LEU HA H 84 4.691 4.841 -0.150 1 1 1029 . 7 1 1 A 84 84 LEU C C 84 174.308 176.117 -1.809 1 1 1030 . 7 1 1 A 84 84 LEU CA C 84 54.224 53.999 0.225 1 1 1031 . 7 1 1 A 84 84 LEU CB C 84 41.636 41.349 0.287 1 1 1035 . 7 1 1 A 84 84 LEU N N 84 125.923 127.987 -2.064 1 1 1036 . 7 1 1 A 85 85 VAL H H 85 8.620 8.472 0.148 1 1 1037 . 7 1 1 A 85 85 VAL HA H 85 4.151 4.410 -0.259 1 1 1045 . 7 1 1 A 85 85 VAL C C 85 174.188 175.191 -1.003 1 1 1046 . 7 1 1 A 85 85 VAL CA C 85 63.649 62.581 1.068 1 1 1047 . 7 1 1 A 85 85 VAL CB C 85 30.861 31.427 -0.566 1 1 1050 . 7 1 1 A 85 85 VAL N N 85 126.007 125.354 0.653 1 1 1051 . 7 1 1 A 86 86 LEU H H 86 8.534 8.785 -0.251 1 1 1052 . 7 1 1 A 86 86 LEU HA H 86 4.853 4.789 0.064 1 1 1062 . 7 1 1 A 86 86 LEU C C 86 174.878 176.698 -1.820 1 1 1063 . 7 1 1 A 86 86 LEU CA C 86 53.183 52.108 1.075 1 1 1064 . 7 1 1 A 86 86 LEU CB C 86 40.485 43.983 -3.498 1 1 1068 . 7 1 1 A 86 86 LEU N N 86 129.551 128.322 1.229 1 1 1069 . 7 1 1 A 87 87 PRO HA H 87 4.221 4.555 -0.334 1 1 1076 . 7 1 1 A 87 87 PRO C C 87 178.223 177.088 1.135 1 1 1077 . 7 1 1 A 87 87 PRO CA C 87 66.455 64.184 2.271 1 1 1078 . 7 1 1 A 87 87 PRO CB C 87 32.260 31.598 0.662 1 1 1081 . 7 1 1 A 88 88 LYS H H 88 8.414 8.226 0.188 1 1 1082 . 7 1 1 A 88 88 LYS HA H 88 4.548 4.378 0.170 1 1 1091 . 7 1 1 A 88 88 LYS C C 88 176.187 176.612 -0.425 1 1 1092 . 7 1 1 A 88 88 LYS CA C 88 55.071 57.015 -1.944 1 1 1093 . 7 1 1 A 88 88 LYS CB C 88 33.534 33.988 -0.454 1 1 1097 . 7 1 1 A 88 88 LYS N N 88 110.404 116.791 -6.387 1 1 1098 . 7 1 1 A 89 89 GLU H H 89 7.208 7.810 -0.602 1 1 1099 . 7 1 1 A 89 89 GLU HA H 89 4.561 4.734 -0.173 1 1 1104 . 7 1 1 A 89 89 GLU C C 89 172.527 174.357 -1.830 1 1 1105 . 7 1 1 A 89 89 GLU CA C 89 56.007 55.704 0.303 1 1 1106 . 7 1 1 A 89 89 GLU CB C 89 33.082 33.789 -0.707 1 1 1108 . 7 1 1 A 89 89 GLU N N 89 116.828 115.340 1.488 1 1 1109 . 7 1 1 A 90 90 GLU H H 90 8.321 8.688 -0.367 1 1 1110 . 7 1 1 A 90 90 GLU HA H 90 5.249 5.198 0.051 1 1 1115 . 7 1 1 A 90 90 GLU C C 90 176.296 176.195 0.101 1 1 1116 . 7 1 1 A 90 90 GLU CA C 90 54.860 56.035 -1.175 1 1 1117 . 7 1 1 A 90 90 GLU CB C 90 31.972 31.000 0.972 1 1 1119 . 7 1 1 A 90 90 GLU N N 90 119.609 124.689 -5.080 1 1 1120 . 7 1 1 A 91 91 VAL H H 91 8.972 8.838 0.134 1 1 1121 . 7 1 1 A 91 91 VAL HA H 91 4.352 4.856 -0.504 1 1 1129 . 7 1 1 A 91 91 VAL C C 91 174.284 174.656 -0.372 1 1 1130 . 7 1 1 A 91 91 VAL CA C 91 61.284 60.207 1.077 1 1 1131 . 7 1 1 A 91 91 VAL CB C 91 34.891 35.447 -0.556 1 1 1134 . 7 1 1 A 91 91 VAL N N 91 123.947 124.397 -0.450 1 1 1135 . 7 1 1 A 92 92 GLN H H 92 8.241 8.757 -0.516 1 1 1136 . 7 1 1 A 92 92 GLN HA H 92 4.930 5.130 -0.200 1 1 1143 . 7 1 1 A 92 92 GLN C C 92 174.115 175.130 -1.015 1 1 1144 . 7 1 1 A 92 92 GLN CA C 92 55.583 54.613 0.970 1 1 1145 . 7 1 1 A 92 92 GLN CB C 92 30.121 31.716 -1.595 1 1 1147 . 7 1 1 A 92 92 GLN N N 92 125.869 125.115 0.754 1 1 1149 . 7 1 1 A 93 93 LEU H H 93 9.145 8.306 0.839 1 1 1150 . 7 1 1 A 93 93 LEU HA H 93 5.456 5.173 0.283 1 1 1160 . 7 1 1 A 93 93 LEU C C 93 176.256 174.781 1.475 1 1 1161 . 7 1 1 A 93 93 LEU CA C 93 53.801 53.600 0.201 1 1 1162 . 7 1 1 A 93 93 LEU CB C 93 45.913 45.994 -0.081 1 1 1166 . 7 1 1 A 93 93 LEU N N 93 123.952 123.978 -0.026 1 1 1167 . 7 1 1 A 94 94 LYS H H 94 9.255 8.676 0.579 1 1 1168 . 7 1 1 A 94 94 LYS HA H 94 5.452 4.882 0.570 1 1 1177 . 7 1 1 A 94 94 LYS C C 94 174.563 174.825 -0.262 1 1 1178 . 7 1 1 A 94 94 LYS CA C 94 54.718 54.338 0.380 1 1 1179 . 7 1 1 A 94 94 LYS CB C 94 36.571 35.836 0.735 1 1 1183 . 7 1 1 A 94 94 LYS N N 94 124.618 125.456 -0.838 1 1 1184 . 7 1 1 A 95 95 THR H H 95 8.582 8.373 0.209 1 1 1185 . 7 1 1 A 95 95 THR HA H 95 4.946 4.776 0.170 1 1 1190 . 7 1 1 A 95 95 THR C C 95 175.278 174.096 1.182 1 1 1191 . 7 1 1 A 95 95 THR CA C 95 59.908 60.045 -0.137 1 1 1192 . 7 1 1 A 95 95 THR CB C 95 70.917 70.390 0.527 1 1 1194 . 7 1 1 A 95 95 THR N N 95 112.788 116.063 -3.275 1 1 1195 . 7 1 1 A 96 96 GLU H H 96 9.033 8.809 0.224 1 1 1196 . 7 1 1 A 96 96 GLU HA H 96 4.321 4.580 -0.259 1 1 1201 . 7 1 1 A 96 96 GLU C C 96 175.435 176.359 -0.924 1 1 1202 . 7 1 1 A 96 96 GLU CA C 96 57.595 57.487 0.108 1 1 1203 . 7 1 1 A 96 96 GLU CB C 96 30.656 31.586 -0.930 1 1 1205 . 7 1 1 A 96 96 GLU N N 96 117.745 118.373 -0.628 1 1 1206 . 7 1 1 A 97 97 ASN H H 97 7.562 7.987 -0.425 1 1 1207 . 7 1 1 A 97 97 ASN HA H 97 5.074 5.132 -0.058 1 1 1212 . 7 1 1 A 97 97 ASN C C 97 176.575 175.638 0.937 1 1 1213 . 7 1 1 A 97 97 ASN CA C 97 52.195 51.718 0.477 1 1 1214 . 7 1 1 A 97 97 ASN CB C 97 40.485 40.358 0.127 1 1 1215 . 7 1 1 A 97 97 ASN N N 97 110.462 116.299 -5.837 1 1 1217 . 7 1 1 A 98 98 THR HA H 98 3.916 3.937 -0.021 1 1 1222 . 7 1 1 A 98 98 THR C C 98 176.938 176.102 0.836 1 1 1223 . 7 1 1 A 98 98 THR CA C 98 66.349 67.538 -1.189 1 1 1224 . 7 1 1 A 98 98 THR CB C 98 68.638 68.757 -0.119 1 1 1226 . 7 1 1 A 99 99 GLU H H 99 9.316 8.285 1.031 1 1 1227 . 7 1 1 A 99 99 GLU HA H 99 4.221 4.030 0.191 1 1 1232 . 7 1 1 A 99 99 GLU C C 99 179.241 178.538 0.703 1 1 1233 . 7 1 1 A 99 99 GLU CA C 99 60.754 59.495 1.259 1 1 1234 . 7 1 1 A 99 99 GLU CB C 99 28.764 29.362 -0.598 1 1 1236 . 7 1 1 A 99 99 GLU N N 99 125.868 121.588 4.280 1 1 1237 . 7 1 1 A 100 100 SER H H 100 8.739 8.361 0.378 1 1 1238 . 7 1 1 A 100 100 SER HA H 100 4.863 4.478 0.385 1 1 1241 . 7 1 1 A 100 100 SER C C 100 177.411 177.537 -0.126 1 1 1242 . 7 1 1 A 100 100 SER CA C 100 61.037 62.027 -0.990 1 1 1243 . 7 1 1 A 100 100 SER CB C 100 63.879 62.888 0.991 1 1 1244 . 7 1 1 A 100 100 SER N N 100 114.755 114.850 -0.095 1 1 1245 . 7 1 1 A 101 101 GLY H H 101 7.879 8.621 -0.742 1 1 1246 . 7 1 1 A 101 101 GLY HA2 H 101 4.139 3.923 0.216 1 1 1247 . 7 1 1 A 101 101 GLY HA3 H 101 4.012 4.058 -0.046 1 1 1248 . 7 1 1 A 101 101 GLY C C 101 174.611 175.869 -1.258 1 1 1249 . 7 1 1 A 101 101 GLY CA C 101 48.948 47.635 1.313 1 1 1250 . 7 1 1 A 101 101 GLY N N 101 108.940 109.284 -0.344 1 1 1251 . 7 1 1 A 102 102 GLU H H 102 7.801 7.770 0.031 1 1 1252 . 7 1 1 A 102 102 GLU HA H 102 4.171 4.039 0.132 1 1 1257 . 7 1 1 A 102 102 GLU C C 102 179.084 179.297 -0.213 1 1 1258 . 7 1 1 A 102 102 GLU CA C 102 58.601 59.198 -0.597 1 1 1259 . 7 1 1 A 102 102 GLU CB C 102 29.627 29.254 0.373 1 1 1261 . 7 1 1 A 102 102 GLU N N 102 120.720 121.295 -0.575 1 1 1262 . 7 1 1 A 103 103 GLU H H 103 7.781 8.637 -0.856 1 1 1263 . 7 1 1 A 103 103 GLU HA H 103 3.739 3.784 -0.045 1 1 1268 . 7 1 1 A 103 103 GLU C C 103 178.235 179.059 -0.824 1 1 1269 . 7 1 1 A 103 103 GLU CA C 103 60.366 59.078 1.288 1 1 1270 . 7 1 1 A 103 103 GLU CB C 103 30.491 29.063 1.428 1 1 1272 . 7 1 1 A 103 103 GLU N N 103 119.068 119.570 -0.502 1 1 1273 . 7 1 1 A 104 104 TRP H H 104 8.761 8.564 0.197 1 1 1274 . 7 1 1 A 104 104 TRP HA H 104 4.171 4.806 -0.635 1 1 1283 . 7 1 1 A 104 104 TRP C C 104 178.817 178.872 -0.055 1 1 1284 . 7 1 1 A 104 104 TRP CA C 104 62.290 60.692 1.598 1 1 1285 . 7 1 1 A 104 104 TRP CB C 104 29.340 29.311 0.029 1 1 1291 . 7 1 1 A 104 104 TRP N N 104 118.358 121.291 -2.933 1 1 1293 . 7 1 1 A 105 105 ARG H H 105 8.400 8.536 -0.136 1 1 1294 . 7 1 1 A 105 105 ARG HA H 105 3.481 3.657 -0.176 1 1 1302 . 7 1 1 A 105 105 ARG C C 105 177.666 179.054 -1.388 1 1 1303 . 7 1 1 A 105 105 ARG CA C 105 60.666 59.505 1.161 1 1 1304 . 7 1 1 A 105 105 ARG CB C 105 30.162 29.924 0.238 1 1 1307 . 7 1 1 A 105 105 ARG N N 105 117.098 119.688 -2.590 1 1 1309 . 7 1 1 A 106 106 GLY H H 106 8.202 8.608 -0.406 1 1 1310 . 7 1 1 A 106 106 GLY HA2 H 106 3.470 3.502 -0.032 1 1 1311 . 7 1 1 A 106 106 GLY HA3 H 106 3.382 3.563 -0.181 1 1 1312 . 7 1 1 A 106 106 GLY C C 106 176.162 176.218 -0.056 1 1 1313 . 7 1 1 A 106 106 GLY CA C 106 47.554 47.243 0.311 1 1 1314 . 7 1 1 A 106 106 GLY N N 106 104.212 106.664 -2.452 1 1 1315 . 7 1 1 A 107 107 PHE H H 107 8.491 8.526 -0.035 1 1 1316 . 7 1 1 A 107 107 PHE HA H 107 3.722 4.552 -0.830 1 1 1324 . 7 1 1 A 107 107 PHE C C 107 177.265 178.223 -0.958 1 1 1325 . 7 1 1 A 107 107 PHE CA C 107 64.284 59.550 4.734 1 1 1326 . 7 1 1 A 107 107 PHE CB C 107 39.209 38.329 0.880 1 1 1332 . 7 1 1 A 107 107 PHE N N 107 122.710 120.741 1.969 1 1 1333 . 7 1 1 A 108 108 ILE H H 108 8.674 9.640 -0.966 1 1 1334 . 7 1 1 A 108 108 ILE HA H 108 3.523 3.778 -0.255 1 1 1344 . 7 1 1 A 108 108 ILE C C 108 178.623 178.035 0.588 1 1 1345 . 7 1 1 A 108 108 ILE CA C 108 66.384 64.976 1.408 1 1 1346 . 7 1 1 A 108 108 ILE CB C 108 37.852 38.061 -0.209 1 1 1350 . 7 1 1 A 108 108 ILE N N 108 117.395 120.389 -2.994 1 1 1351 . 7 1 1 A 109 109 LEU H H 109 8.378 8.483 -0.105 1 1 1352 . 7 1 1 A 109 109 LEU HA H 109 4.032 4.391 -0.359 1 1 1362 . 7 1 1 A 109 109 LEU C C 109 178.635 179.427 -0.792 1 1 1363 . 7 1 1 A 109 109 LEU CA C 109 57.878 57.371 0.507 1 1 1364 . 7 1 1 A 109 109 LEU CB C 109 40.854 41.555 -0.701 1 1 1368 . 7 1 1 A 109 109 LEU N N 109 118.573 118.218 0.355 1 1 1369 . 7 1 1 A 110 110 THR H H 110 7.600 7.563 0.037 1 1 1370 . 7 1 1 A 110 110 THR HA H 110 4.110 4.573 -0.463 1 1 1375 . 7 1 1 A 110 110 THR C C 110 177.265 176.152 1.113 1 1 1376 . 7 1 1 A 110 110 THR CA C 110 68.325 65.467 2.858 1 1 1377 . 7 1 1 A 110 110 THR CB C 110 68.230 69.295 -1.065 1 1 1379 . 7 1 1 A 110 110 THR N N 110 115.926 114.038 1.888 1 1 1380 . 7 1 1 A 111 111 VAL H H 111 7.490 7.687 -0.197 1 1 1381 . 7 1 1 A 111 111 VAL HA H 111 3.912 4.400 -0.488 1 1 1389 . 7 1 1 A 111 111 VAL C C 111 174.793 176.725 -1.932 1 1 1390 . 7 1 1 A 111 111 VAL CA C 111 64.601 61.358 3.243 1 1 1391 . 7 1 1 A 111 111 VAL CB C 111 32.007 31.955 0.052 1 1 1394 . 7 1 1 A 111 111 VAL N N 111 109.123 116.082 -6.959 1 1 1395 . 7 1 1 A 112 112 THR H H 112 7.410 7.720 -0.310 1 1 1396 . 7 1 1 A 112 112 THR HA H 112 4.494 4.615 -0.121 1 1 1401 . 7 1 1 A 112 112 THR C C 112 177.265 175.579 1.686 1 1 1402 . 7 1 1 A 112 112 THR CA C 112 62.784 62.208 0.576 1 1 1403 . 7 1 1 A 112 112 THR CB C 112 69.290 70.253 -0.963 1 1 1405 . 7 1 1 A 112 112 THR N N 112 107.046 111.610 -4.564 1 1 1406 . 7 1 1 A 113 113 GLU H H 113 8.541 8.061 0.480 1 1 1407 . 7 1 1 A 113 113 GLU HA H 113 4.280 4.365 -0.085 1 1 1412 . 7 1 1 A 113 113 GLU C C 113 176.745 175.831 0.914 1 1 1413 . 7 1 1 A 113 113 GLU CA C 113 57.048 56.389 0.659 1 1 1414 . 7 1 1 A 113 113 GLU CB C 113 29.422 29.811 -0.389 1 1 1416 . 7 1 1 A 113 113 GLU N N 113 120.888 120.128 0.760 1 1 1417 . 7 1 1 A 114 114 LEU H H 114 7.561 7.919 -0.358 1 1 1418 . 7 1 1 A 114 114 LEU HA H 114 4.042 3.880 0.162 1 1 1428 . 7 1 1 A 114 114 LEU C C 114 175.569 175.293 0.276 1 1 1429 . 7 1 1 A 114 114 LEU CA C 114 55.213 56.287 -1.074 1 1 1430 . 7 1 1 A 114 114 LEU CB C 114 38.182 41.007 -2.825 1 1 1434 . 7 1 1 A 114 114 LEU N N 114 114.453 119.531 -5.078 1 1 1435 . 7 1 1 A 115 115 SER H H 115 7.113 7.719 -0.606 1 1 1436 . 7 1 1 A 115 115 SER HA H 115 4.315 4.756 -0.441 1 1 1439 . 7 1 1 A 115 115 SER C C 115 173.521 172.156 1.365 1 1 1440 . 7 1 1 A 115 115 SER CA C 115 57.454 55.731 1.723 1 1 1441 . 7 1 1 A 115 115 SER CB C 115 64.505 65.007 -0.502 1 1 1442 . 7 1 1 A 115 115 SER N N 115 110.010 112.340 -2.330 1 1 1443 . 7 1 1 A 116 116 VAL H H 116 8.635 8.480 0.155 1 1 1444 . 7 1 1 A 116 116 VAL HA H 116 4.210 4.435 -0.225 1 1 1452 . 7 1 1 A 116 116 VAL C C 116 175.024 174.031 0.993 1 1 1453 . 7 1 1 A 116 116 VAL CA C 116 60.948 58.879 2.069 1 1 1454 . 7 1 1 A 116 116 VAL CB C 116 32.177 34.961 -2.784 1 1 1457 . 7 1 1 A 116 116 VAL N N 116 129.442 121.310 8.132 1 1 1458 . 7 1 1 A 117 117 PRO HA H 117 4.381 4.721 -0.340 1 1 1465 . 7 1 1 A 117 117 PRO C C 117 176.478 177.227 -0.749 1 1 1466 . 7 1 1 A 117 117 PRO CA C 117 62.678 62.485 0.193 1 1 1467 . 7 1 1 A 117 117 PRO CB C 117 31.931 31.941 -0.010 1 1 1470 . 7 1 1 A 118 118 GLN H H 118 8.576 8.794 -0.218 1 1 1471 . 7 1 1 A 118 118 GLN HA H 118 4.282 4.460 -0.178 1 1 1478 . 7 1 1 A 118 118 GLN C C 118 176.575 176.624 -0.049 1 1 1479 . 7 1 1 A 118 118 GLN CA C 118 55.866 56.206 -0.340 1 1 1480 . 7 1 1 A 118 118 GLN CB C 118 29.704 28.782 0.922 1 1 1482 . 7 1 1 A 118 118 GLN N N 118 118.498 121.527 -3.029 1 1 1484 . 7 1 1 A 119 119 ASN H H 119 8.444 7.981 0.463 1 1 1485 . 7 1 1 A 119 119 ASN HA H 119 4.727 4.846 -0.119 1 1 1490 . 7 1 1 A 119 119 ASN C C 119 174.842 174.209 0.633 1 1 1491 . 7 1 1 A 119 119 ASN CA C 119 52.812 52.836 -0.024 1 1 1492 . 7 1 1 A 119 119 ASN CB C 119 37.071 39.131 -2.060 1 1 1493 . 7 1 1 A 119 119 ASN N N 119 117.223 118.529 -1.306 1 1 1495 . 7 1 1 A 120 120 VAL H H 120 7.182 7.385 -0.203 1 1 1496 . 7 1 1 A 120 120 VAL HA H 120 4.381 4.334 0.047 1 1 1504 . 7 1 1 A 120 120 VAL C C 120 175.484 175.317 0.167 1 1 1505 . 7 1 1 A 120 120 VAL CA C 120 60.048 60.529 -0.481 1 1 1506 . 7 1 1 A 120 120 VAL CB C 120 34.028 33.451 0.577 1 1 1509 . 7 1 1 A 120 120 VAL N N 120 114.038 117.854 -3.816 1 1 1510 . 7 1 1 A 121 121 SER H H 121 9.313 8.739 0.574 1 1 1511 . 7 1 1 A 121 121 SER HA H 121 4.552 4.414 0.138 1 1 1514 . 7 1 1 A 121 121 SER C C 121 173.096 174.467 -1.371 1 1 1515 . 7 1 1 A 121 121 SER CA C 121 57.119 59.448 -2.329 1 1 1516 . 7 1 1 A 121 121 SER CB C 121 62.528 63.886 -1.358 1 1 1517 . 7 1 1 A 121 121 SER N N 121 122.117 118.186 3.931 1 1 1518 . 7 1 1 A 122 122 LEU H H 122 7.470 7.427 0.043 1 1 1519 . 7 1 1 A 122 122 LEU HA H 122 4.618 4.087 0.531 1 1 1529 . 7 1 1 A 122 122 LEU C C 122 176.526 177.452 -0.926 1 1 1530 . 7 1 1 A 122 122 LEU CA C 122 52.795 55.312 -2.517 1 1 1531 . 7 1 1 A 122 122 LEU CB C 122 45.790 43.186 2.604 1 1 1535 . 7 1 1 A 122 122 LEU N N 122 122.878 123.332 -0.454 1 1 1536 . 7 1 1 A 123 123 LEU H H 123 8.765 8.370 0.395 1 1 1537 . 7 1 1 A 123 123 LEU HA H 123 4.574 4.348 0.226 1 1 1547 . 7 1 1 A 123 123 LEU C C 123 176.769 176.775 -0.006 1 1 1548 . 7 1 1 A 123 123 LEU CA C 123 53.748 53.347 0.401 1 1 1549 . 7 1 1 A 123 123 LEU CB C 123 40.649 41.375 -0.726 1 1 1553 . 7 1 1 A 123 123 LEU N N 123 122.054 123.470 -1.416 1 1 1554 . 7 1 1 A 124 124 PRO HA H 124 4.232 4.478 -0.246 1 1 1561 . 7 1 1 A 124 124 PRO CA C 124 66.281 64.029 2.252 1 1 1562 . 7 1 1 A 124 124 PRO CB C 124 31.945 31.729 0.216 1 1 1565 . 7 1 1 A 125 125 GLY HA2 H 125 3.901 3.885 0.016 1 1 1566 . 7 1 1 A 125 125 GLY HA3 H 125 3.901 3.885 0.016 1 1 1567 . 7 1 1 A 125 125 GLY C C 125 176.696 175.864 0.832 1 1 1568 . 7 1 1 A 125 125 GLY CA C 125 46.724 46.295 0.429 1 1 1569 . 7 1 1 A 126 126 GLN H H 126 7.495 7.842 -0.347 1 1 1570 . 7 1 1 A 126 126 GLN HA H 126 4.261 3.968 0.293 1 1 1577 . 7 1 1 A 126 126 GLN C C 126 178.235 178.091 0.144 1 1 1578 . 7 1 1 A 126 126 GLN CA C 126 57.807 58.535 -0.728 1 1 1579 . 7 1 1 A 126 126 GLN CB C 126 30.039 28.283 1.756 1 1 1581 . 7 1 1 A 126 126 GLN N N 126 120.404 122.091 -1.687 1 1 1583 . 7 1 1 A 127 127 VAL H H 127 7.839 7.605 0.234 1 1 1584 . 7 1 1 A 127 127 VAL HA H 127 3.360 3.490 -0.130 1 1 1592 . 7 1 1 A 127 127 VAL C C 127 178.441 178.041 0.400 1 1 1593 . 7 1 1 A 127 127 VAL CA C 127 67.231 65.865 1.366 1 1 1594 . 7 1 1 A 127 127 VAL CB C 127 31.948 31.589 0.359 1 1 1597 . 7 1 1 A 127 127 VAL N N 127 121.180 119.727 1.453 1 1 1598 . 7 1 1 A 128 128 ILE H H 128 7.725 8.333 -0.608 1 1 1599 . 7 1 1 A 128 128 ILE HA H 128 3.820 3.536 0.284 1 1 1609 . 7 1 1 A 128 128 ILE C C 128 178.599 178.011 0.588 1 1 1610 . 7 1 1 A 128 128 ILE CA C 128 64.978 65.652 -0.674 1 1 1611 . 7 1 1 A 128 128 ILE CB C 128 37.976 37.801 0.175 1 1 1615 . 7 1 1 A 128 128 ILE N N 128 119.369 120.800 -1.431 1 1 1616 . 7 1 1 A 129 129 LYS H H 129 7.204 7.838 -0.634 1 1 1617 . 7 1 1 A 129 129 LYS HA H 129 4.241 3.950 0.291 1 1 1626 . 7 1 1 A 129 129 LYS C C 129 178.902 179.208 -0.306 1 1 1627 . 7 1 1 A 129 129 LYS CA C 129 58.690 59.474 -0.784 1 1 1628 . 7 1 1 A 129 129 LYS CB C 129 31.725 32.312 -0.587 1 1 1632 . 7 1 1 A 129 129 LYS N N 129 119.356 118.768 0.588 1 1 1633 . 7 1 1 A 130 130 LEU H H 130 7.750 7.578 0.172 1 1 1634 . 7 1 1 A 130 130 LEU HA H 130 3.649 3.866 -0.217 1 1 1644 . 7 1 1 A 130 130 LEU C C 130 178.756 179.082 -0.326 1 1 1645 . 7 1 1 A 130 130 LEU CA C 130 57.913 57.748 0.165 1 1 1646 . 7 1 1 A 130 130 LEU CB C 130 40.197 41.172 -0.975 1 1 1650 . 7 1 1 A 130 130 LEU N N 130 118.271 119.371 -1.100 1 1 1651 . 7 1 1 A 131 131 HIS H H 131 7.732 8.215 -0.483 1 1 1652 . 7 1 1 A 131 131 HIS HA H 131 3.918 4.192 -0.274 1 1 1657 . 7 1 1 A 131 131 HIS C C 131 178.392 177.783 0.609 1 1 1658 . 7 1 1 A 131 131 HIS CA C 131 61.019 59.871 1.148 1 1 1659 . 7 1 1 A 131 131 HIS CB C 131 29.951 29.788 0.163 1 1 1662 . 7 1 1 A 131 131 HIS N N 131 117.308 117.445 -0.137 1 1 1663 . 7 1 1 A 132 132 GLU H H 132 8.030 8.793 -0.763 1 1 1664 . 7 1 1 A 132 132 GLU HA H 132 4.097 4.020 0.077 1 1 1669 . 7 1 1 A 132 132 GLU C C 132 179.907 179.211 0.696 1 1 1670 . 7 1 1 A 132 132 GLU CA C 132 59.660 59.331 0.329 1 1 1671 . 7 1 1 A 132 132 GLU CB C 132 29.627 29.274 0.353 1 1 1673 . 7 1 1 A 132 132 GLU N N 132 121.443 119.133 2.310 1 1 1674 . 7 1 1 A 133 133 VAL H H 133 8.250 9.079 -0.829 1 1 1675 . 7 1 1 A 133 133 VAL HA H 133 3.352 3.001 0.351 1 1 1683 . 7 1 1 A 133 133 VAL C C 133 176.575 177.882 -1.307 1 1 1684 . 7 1 1 A 133 133 VAL CA C 133 66.367 66.131 0.236 1 1 1685 . 7 1 1 A 133 133 VAL CB C 133 31.203 31.255 -0.052 1 1 1688 . 7 1 1 A 133 133 VAL N N 133 121.281 120.194 1.087 1 1 1689 . 7 1 1 A 134 134 LEU H H 134 8.259 8.266 -0.007 1 1 1690 . 7 1 1 A 134 134 LEU HA H 134 3.645 3.849 -0.204 1 1 1700 . 7 1 1 A 134 134 LEU C C 134 177.980 178.327 -0.347 1 1 1701 . 7 1 1 A 134 134 LEU CA C 134 58.154 58.636 -0.482 1 1 1702 . 7 1 1 A 134 134 LEU CB C 134 40.320 42.032 -1.712 1 1 1706 . 7 1 1 A 134 134 LEU N N 134 120.134 120.468 -0.334 1 1 1707 . 7 1 1 A 135 135 GLU H H 135 7.611 8.175 -0.564 1 1 1708 . 7 1 1 A 135 135 GLU HA H 135 3.972 4.050 -0.078 1 1 1713 . 7 1 1 A 135 135 GLU C C 135 179.834 178.507 1.327 1 1 1714 . 7 1 1 A 135 135 GLU CA C 135 59.325 59.307 0.018 1 1 1715 . 7 1 1 A 135 135 GLU CB C 135 29.134 29.157 -0.023 1 1 1717 . 7 1 1 A 135 135 GLU N N 135 116.026 117.646 -1.620 1 1 1718 . 7 1 1 A 136 136 ARG H H 136 7.789 8.491 -0.702 1 1 1719 . 7 1 1 A 136 136 ARG HA H 136 4.140 4.134 0.006 1 1 1726 . 7 1 1 A 136 136 ARG C C 136 179.083 179.114 -0.031 1 1 1727 . 7 1 1 A 136 136 ARG CA C 136 59.131 59.496 -0.365 1 1 1728 . 7 1 1 A 136 136 ARG CB C 136 30.368 30.086 0.282 1 1 1731 . 7 1 1 A 136 136 ARG N N 136 119.681 119.317 0.364 1 1 1732 . 7 1 1 A 137 137 GLU H H 137 9.238 8.533 0.705 1 1 1733 . 7 1 1 A 137 137 GLU HA H 137 4.637 4.200 0.437 1 1 1738 . 7 1 1 A 137 137 GLU C C 137 178.817 178.745 0.072 1 1 1739 . 7 1 1 A 137 137 GLU CA C 137 58.036 59.222 -1.186 1 1 1740 . 7 1 1 A 137 137 GLU CB C 137 28.147 28.504 -0.357 1 1 1742 . 7 1 1 A 137 137 GLU N N 137 124.333 118.275 6.058 1 1 1743 . 7 1 1 A 138 138 LYS H H 138 8.788 8.435 0.353 1 1 1744 . 7 1 1 A 138 138 LYS HA H 138 3.899 3.992 -0.093 1 1 1753 . 7 1 1 A 138 138 LYS C C 138 179.944 179.453 0.491 1 1 1754 . 7 1 1 A 138 138 LYS CA C 138 60.754 59.690 1.064 1 1 1755 . 7 1 1 A 138 138 LYS CB C 138 32.789 32.280 0.509 1 1 1759 . 7 1 1 A 138 138 LYS N N 138 119.622 119.840 -0.218 1 1 1760 . 7 1 1 A 139 139 LYS H H 139 7.313 7.797 -0.484 1 1 1761 . 7 1 1 A 139 139 LYS HA H 139 4.070 3.914 0.156 1 1 1770 . 7 1 1 A 139 139 LYS C C 139 178.235 179.177 -0.942 1 1 1771 . 7 1 1 A 139 139 LYS CA C 139 59.166 60.017 -0.851 1 1 1772 . 7 1 1 A 139 139 LYS CB C 139 32.424 32.162 0.262 1 1 1776 . 7 1 1 A 139 139 LYS N N 139 117.326 119.607 -2.281 1 1 1777 . 7 1 1 A 140 140 ARG H H 140 8.344 8.055 0.289 1 1 1778 . 7 1 1 A 140 140 ARG HA H 140 4.080 3.976 0.104 1 1 1786 . 7 1 1 A 140 140 ARG C C 140 179.531 178.900 0.631 1 1 1787 . 7 1 1 A 140 140 ARG CA C 140 59.184 59.923 -0.739 1 1 1788 . 7 1 1 A 140 140 ARG CB C 140 31.190 29.947 1.243 1 1 1791 . 7 1 1 A 140 140 ARG N N 140 121.404 119.881 1.523 1 1 1793 . 7 1 1 A 141 141 ARG H H 141 8.171 8.181 -0.010 1 1 1794 . 7 1 1 A 141 141 ARG HA H 141 4.034 4.030 0.004 1 1 1802 . 7 1 1 A 141 141 ARG C C 141 178.671 178.807 -0.136 1 1 1803 . 7 1 1 A 141 141 ARG CA C 141 58.337 58.916 -0.579 1 1 1804 . 7 1 1 A 141 141 ARG CB C 141 30.327 29.995 0.332 1 1 1807 . 7 1 1 A 141 141 ARG N N 141 115.667 118.860 -3.193 1 1 1809 . 7 1 1 A 142 142 ILE H H 142 7.521 8.820 -1.299 1 1 1810 . 7 1 1 A 142 142 ILE HA H 142 4.074 3.656 0.418 1 1 1820 . 7 1 1 A 142 142 ILE C C 142 177.787 177.773 0.014 1 1 1821 . 7 1 1 A 142 142 ILE CA C 142 63.178 64.944 -1.766 1 1 1822 . 7 1 1 A 142 142 ILE CB C 142 38.346 37.580 0.766 1 1 1826 . 7 1 1 A 142 142 ILE N N 142 118.031 121.086 -3.055 1 1 1827 . 7 1 1 A 143 143 GLU H H 143 8.041 8.230 -0.189 1 1 1828 . 7 1 1 A 143 143 GLU HA H 143 4.251 4.003 0.248 1 1 1833 . 7 1 1 A 143 143 GLU C C 143 177.217 177.155 0.062 1 1 1834 . 7 1 1 A 143 143 GLU CA C 143 57.595 59.251 -1.656 1 1 1835 . 7 1 1 A 143 143 GLU CB C 143 29.998 29.796 0.202 1 1 1837 . 7 1 1 A 143 143 GLU N N 143 120.963 120.632 0.331 1 1 1838 . 7 1 1 A 144 144 SER H H 144 8.041 8.189 -0.148 1 1 1839 . 7 1 1 A 144 144 SER HA H 144 4.538 4.218 0.320 1 1 1842 . 7 1 1 A 144 144 SER C C 144 174.721 173.930 0.791 1 1 1843 . 7 1 1 A 144 144 SER CA C 144 58.801 58.928 -0.127 1 1 1844 . 7 1 1 A 144 144 SER CB C 144 64.126 60.810 3.316 1 1 1845 . 7 1 1 A 144 144 SER N N 144 114.646 113.793 0.853 1 1 1846 . 7 1 1 A 145 145 GLY H H 145 7.982 8.238 -0.256 1 1 1847 . 7 1 1 A 145 145 GLY HA2 H 145 4.102 4.100 0.002 1 1 1848 . 7 1 1 A 145 145 GLY HA3 H 145 4.231 4.101 0.130 1 1 1849 . 7 1 1 A 145 145 GLY C C 145 171.800 174.778 -2.978 1 1 1850 . 7 1 1 A 145 145 GLY CA C 145 44.854 44.196 0.658 1 1 1851 . 7 1 1 A 145 145 GLY N N 145 110.299 110.886 -0.587 1 1 1852 . 7 1 1 A 146 146 PRO HA H 146 4.510 4.329 0.181 1 1 1859 . 7 1 1 A 146 146 PRO C C 146 177.496 177.427 0.069 1 1 1860 . 7 1 1 A 146 146 PRO CA C 146 63.313 64.990 -1.677 1 1 1861 . 7 1 1 A 146 146 PRO CB C 146 32.177 31.330 0.847 1 1 1864 . 7 1 1 A 147 147 SER H H 147 8.530 8.038 0.492 1 1 1865 . 7 1 1 A 147 147 SER C C 147 174.721 173.486 1.235 1 1 1866 . 7 1 1 A 147 147 SER CA C 147 58.390 59.194 -0.804 1 1 1867 . 7 1 1 A 147 147 SER CB C 147 63.803 61.819 1.984 1 1 1868 . 7 1 1 A 147 147 SER N N 147 116.436 114.500 1.936 1 1 1869 . 7 1 1 A 148 148 SER H H 148 8.348 8.465 -0.117 1 1 1870 . 7 1 1 A 148 148 SER C C 148 173.957 174.127 -0.170 1 1 1871 . 7 1 1 A 148 148 SER CA C 148 58.372 58.858 -0.486 1 1 1872 . 7 1 1 A 148 148 SER CB C 148 64.008 61.903 2.105 1 1 1 . 8 1 1 A 8 8 GLN HA H 8 4.221 4.470 -0.249 1 1 8 . 8 1 1 A 8 8 GLN CA C 8 56.851 55.206 1.645 1 1 9 . 8 1 1 A 8 8 GLN CB C 8 28.887 27.095 1.792 1 1 12 . 8 1 1 A 9 9 GLU H H 9 8.480 8.018 0.462 1 1 13 . 8 1 1 A 9 9 GLU HA H 9 4.166 5.017 -0.851 1 1 18 . 8 1 1 A 9 9 GLU CA C 9 58.333 55.362 2.971 1 1 19 . 8 1 1 A 9 9 GLU CB C 9 29.545 33.067 -3.522 1 1 21 . 8 1 1 A 9 9 GLU N N 9 121.149 119.148 2.001 1 1 22 . 8 1 1 A 10 10 ARG H H 10 8.336 8.865 -0.529 1 1 23 . 8 1 1 A 10 10 ARG HA H 10 4.131 5.018 -0.887 1 1 30 . 8 1 1 A 10 10 ARG C C 10 177.350 174.357 2.993 1 1 31 . 8 1 1 A 10 10 ARG CA C 10 57.731 54.827 2.904 1 1 32 . 8 1 1 A 10 10 ARG CB C 10 30.061 31.843 -1.782 1 1 35 . 8 1 1 A 10 10 ARG N N 10 120.177 122.542 -2.365 1 1 36 . 8 1 1 A 11 11 LEU H H 11 7.741 8.857 -1.116 1 1 37 . 8 1 1 A 11 11 LEU HA H 11 4.219 5.285 -1.066 1 1 44 . 8 1 1 A 11 11 LEU CA C 11 56.781 53.260 3.521 1 1 45 . 8 1 1 A 11 11 LEU CB C 11 41.875 45.962 -4.087 1 1 49 . 8 1 1 A 11 11 LEU N N 11 120.410 119.610 0.800 1 1 50 . 8 1 1 A 12 12 LYS H H 12 7.816 8.808 -0.992 1 1 51 . 8 1 1 A 12 12 LYS HA H 12 4.091 4.643 -0.552 1 1 60 . 8 1 1 A 12 12 LYS CA C 12 58.234 55.026 3.208 1 1 61 . 8 1 1 A 12 12 LYS CB C 12 32.530 32.390 0.140 1 1 65 . 8 1 1 A 12 12 LYS N N 12 119.365 118.104 1.261 1 1 66 . 8 1 1 A 13 13 ILE H H 13 7.851 7.997 -0.146 1 1 67 . 8 1 1 A 13 13 ILE HA H 13 3.951 3.896 0.055 1 1 77 . 8 1 1 A 13 13 ILE C C 13 176.914 175.708 1.206 1 1 78 . 8 1 1 A 13 13 ILE CA C 13 62.713 62.567 0.146 1 1 79 . 8 1 1 A 13 13 ILE CB C 13 38.264 37.475 0.789 1 1 83 . 8 1 1 A 14 14 THR H H 14 7.750 8.705 -0.955 1 1 84 . 8 1 1 A 14 14 THR HA H 14 4.021 4.653 -0.632 1 1 88 . 8 1 1 A 14 14 THR C C 14 174.818 174.335 0.483 1 1 89 . 8 1 1 A 14 14 THR CA C 14 63.172 61.286 1.886 1 1 90 . 8 1 1 A 14 14 THR CB C 14 68.985 71.422 -2.437 1 1 92 . 8 1 1 A 14 14 THR N N 14 110.999 122.082 -11.083 1 1 93 . 8 1 1 A 15 15 ALA H H 15 7.922 8.640 -0.718 1 1 94 . 8 1 1 A 15 15 ALA HA H 15 4.141 3.864 0.277 1 1 98 . 8 1 1 A 15 15 ALA C C 15 177.593 176.507 1.086 1 1 99 . 8 1 1 A 15 15 ALA CA C 15 53.007 54.925 -1.918 1 1 100 . 8 1 1 A 15 15 ALA CB C 15 18.747 17.884 0.863 1 1 101 . 8 1 1 A 15 15 ALA N N 15 122.429 124.975 -2.546 1 1 102 . 8 1 1 A 16 16 LEU H H 16 7.442 8.266 -0.824 1 1 103 . 8 1 1 A 16 16 LEU HA H 16 4.653 4.768 -0.115 1 1 112 . 8 1 1 A 16 16 LEU C C 16 173.182 174.898 -1.716 1 1 113 . 8 1 1 A 16 16 LEU CA C 16 51.524 50.972 0.552 1 1 114 . 8 1 1 A 16 16 LEU CB C 16 45.831 44.222 1.609 1 1 118 . 8 1 1 A 16 16 LEU N N 16 120.226 118.585 1.641 1 1 119 . 8 1 1 A 17 17 PRO HA H 17 4.140 4.743 -0.603 1 1 126 . 8 1 1 A 17 17 PRO C C 17 174.296 176.406 -2.110 1 1 127 . 8 1 1 A 17 17 PRO CA C 17 62.007 62.431 -0.424 1 1 128 . 8 1 1 A 17 17 PRO CB C 17 32.013 31.907 0.106 1 1 131 . 8 1 1 A 18 18 LEU H H 18 8.071 8.204 -0.133 1 1 132 . 8 1 1 A 18 18 LEU HA H 18 4.097 4.096 0.001 1 1 142 . 8 1 1 A 18 18 LEU C C 18 176.974 175.754 1.220 1 1 143 . 8 1 1 A 18 18 LEU CA C 18 55.043 55.826 -0.783 1 1 144 . 8 1 1 A 18 18 LEU CB C 18 42.376 42.472 -0.096 1 1 148 . 8 1 1 A 18 18 LEU N N 18 119.963 124.013 -4.050 1 1 149 . 8 1 1 A 19 19 TYR H H 19 9.108 8.905 0.203 1 1 150 . 8 1 1 A 19 19 TYR HA H 19 5.121 4.819 0.302 1 1 157 . 8 1 1 A 19 19 TYR C C 19 174.515 175.582 -1.067 1 1 158 . 8 1 1 A 19 19 TYR CA C 19 55.160 59.114 -3.954 1 1 159 . 8 1 1 A 19 19 TYR CB C 19 39.292 41.101 -1.809 1 1 164 . 8 1 1 A 19 19 TYR N N 19 127.955 123.843 4.112 1 1 165 . 8 1 1 A 20 20 PHE H H 20 7.560 7.026 0.534 1 1 166 . 8 1 1 A 20 20 PHE HA H 20 4.281 4.471 -0.190 1 1 174 . 8 1 1 A 20 20 PHE C C 20 171.170 172.924 -1.754 1 1 175 . 8 1 1 A 20 20 PHE CA C 20 57.031 57.743 -0.712 1 1 176 . 8 1 1 A 20 20 PHE CB C 20 40.937 41.334 -0.397 1 1 182 . 8 1 1 A 20 20 PHE N N 20 115.328 116.728 -1.400 1 1 183 . 8 1 1 A 21 21 GLU H H 21 5.556 8.194 -2.638 1 1 184 . 8 1 1 A 21 21 GLU HA H 21 5.191 4.789 0.402 1 1 189 . 8 1 1 A 21 21 GLU C C 21 173.024 174.239 -1.215 1 1 190 . 8 1 1 A 21 21 GLU CA C 21 53.025 53.825 -0.800 1 1 191 . 8 1 1 A 21 21 GLU CB C 21 31.760 33.638 -1.878 1 1 193 . 8 1 1 A 21 21 GLU N N 21 118.643 122.311 -3.668 1 1 194 . 8 1 1 A 22 22 GLY H H 22 7.721 7.524 0.197 1 1 195 . 8 1 1 A 22 22 GLY HA2 H 22 4.024 3.798 0.226 1 1 196 . 8 1 1 A 22 22 GLY HA3 H 22 3.107 3.936 -0.829 1 1 197 . 8 1 1 A 22 22 GLY C C 22 171.994 171.990 0.004 1 1 198 . 8 1 1 A 22 22 GLY CA C 22 45.013 45.356 -0.343 1 1 199 . 8 1 1 A 22 22 GLY N N 22 106.155 106.096 0.059 1 1 200 . 8 1 1 A 23 23 PHE H H 23 8.881 8.496 0.385 1 1 201 . 8 1 1 A 23 23 PHE HA H 23 5.303 4.512 0.791 1 1 209 . 8 1 1 A 23 23 PHE C C 23 176.926 175.157 1.769 1 1 210 . 8 1 1 A 23 23 PHE CA C 23 60.013 59.799 0.214 1 1 211 . 8 1 1 A 23 23 PHE CB C 23 40.937 39.441 1.496 1 1 217 . 8 1 1 A 23 23 PHE N N 23 119.442 120.968 -1.526 1 1 218 . 8 1 1 A 24 24 LEU H H 24 9.072 8.660 0.412 1 1 219 . 8 1 1 A 24 24 LEU HA H 24 4.562 5.007 -0.445 1 1 229 . 8 1 1 A 24 24 LEU C C 24 174.406 174.448 -0.042 1 1 230 . 8 1 1 A 24 24 LEU CA C 24 54.437 53.463 0.974 1 1 231 . 8 1 1 A 24 24 LEU CB C 24 48.381 45.043 3.338 1 1 235 . 8 1 1 A 24 24 LEU N N 24 122.488 126.173 -3.685 1 1 236 . 8 1 1 A 25 25 LEU H H 25 8.120 8.208 -0.088 1 1 237 . 8 1 1 A 25 25 LEU HA H 25 5.480 5.402 0.078 1 1 247 . 8 1 1 A 25 25 LEU C C 25 176.175 176.049 0.126 1 1 248 . 8 1 1 A 25 25 LEU CA C 25 54.242 53.123 1.119 1 1 249 . 8 1 1 A 25 25 LEU CB C 25 42.576 42.623 -0.047 1 1 253 . 8 1 1 A 25 25 LEU N N 25 120.790 125.989 -5.199 1 1 254 . 8 1 1 A 26 26 ILE H H 26 9.110 8.764 0.346 1 1 255 . 8 1 1 A 26 26 ILE HA H 26 5.232 4.349 0.883 1 1 265 . 8 1 1 A 26 26 ILE C C 26 174.757 174.935 -0.178 1 1 266 . 8 1 1 A 26 26 ILE CA C 26 57.613 59.929 -2.316 1 1 267 . 8 1 1 A 26 26 ILE CB C 26 41.343 39.952 1.391 1 1 271 . 8 1 1 A 26 26 ILE N N 26 120.679 124.089 -3.410 1 1 272 . 8 1 1 A 27 27 LYS H H 27 9.150 7.971 1.179 1 1 273 . 8 1 1 A 27 27 LYS HA H 27 4.425 3.732 0.693 1 1 282 . 8 1 1 A 27 27 LYS C C 27 175.557 175.597 -0.040 1 1 283 . 8 1 1 A 27 27 LYS CA C 27 56.095 56.532 -0.437 1 1 284 . 8 1 1 A 27 27 LYS CB C 27 35.056 33.787 1.269 1 1 288 . 8 1 1 A 27 27 LYS N N 27 127.778 128.362 -0.584 1 1 289 . 8 1 1 A 28 28 ARG H H 28 5.868 7.550 -1.682 1 1 290 . 8 1 1 A 28 28 ARG HA H 28 4.429 3.968 0.461 1 1 298 . 8 1 1 A 28 28 ARG C C 28 176.078 176.195 -0.117 1 1 299 . 8 1 1 A 28 28 ARG CA C 28 54.542 58.141 -3.599 1 1 300 . 8 1 1 A 28 28 ARG CB C 28 31.602 28.968 2.634 1 1 303 . 8 1 1 A 28 28 ARG N N 28 124.548 117.996 6.552 1 1 305 . 8 1 1 A 29 29 SER H H 29 9.067 8.708 0.359 1 1 306 . 8 1 1 A 29 29 SER HA H 29 4.181 4.169 0.012 1 1 309 . 8 1 1 A 29 29 SER C C 29 176.066 174.768 1.298 1 1 310 . 8 1 1 A 29 29 SER CA C 29 61.019 61.680 -0.661 1 1 311 . 8 1 1 A 29 29 SER CB C 29 63.057 63.119 -0.062 1 1 312 . 8 1 1 A 29 29 SER N N 29 116.823 116.311 0.512 1 1 313 . 8 1 1 A 30 30 GLY HA2 H 30 3.810 4.086 -0.276 1 1 314 . 8 1 1 A 30 30 GLY HA3 H 30 4.172 4.089 0.083 1 1 315 . 8 1 1 A 30 30 GLY CA C 30 45.171 45.189 -0.018 1 1 316 . 8 1 1 A 31 31 TYR H H 31 8.001 8.964 -0.963 1 1 317 . 8 1 1 A 31 31 TYR HA H 31 4.729 4.654 0.075 1 1 324 . 8 1 1 A 31 31 TYR CB C 31 37.249 39.854 -2.605 1 1 329 . 8 1 1 A 31 31 TYR N N 31 121.120 123.399 -2.279 1 1 330 . 8 1 1 A 32 32 ARG HA H 32 4.204 4.101 0.103 1 1 337 . 8 1 1 A 32 32 ARG C C 32 176.066 174.625 1.441 1 1 338 . 8 1 1 A 32 32 ARG CA C 32 57.631 57.836 -0.205 1 1 339 . 8 1 1 A 32 32 ARG CB C 32 30.861 30.125 0.736 1 1 342 . 8 1 1 A 33 33 GLU H H 33 7.700 7.872 -0.172 1 1 343 . 8 1 1 A 33 33 GLU HA H 33 4.600 4.730 -0.130 1 1 348 . 8 1 1 A 33 33 GLU C C 33 175.569 175.286 0.283 1 1 349 . 8 1 1 A 33 33 GLU CA C 33 53.695 55.419 -1.724 1 1 350 . 8 1 1 A 33 33 GLU CB C 33 33.000 32.756 0.244 1 1 352 . 8 1 1 A 33 33 GLU N N 33 115.988 116.710 -0.722 1 1 353 . 8 1 1 A 34 34 TYR H H 34 8.755 8.669 0.086 1 1 354 . 8 1 1 A 34 34 TYR HA H 34 4.311 4.378 -0.067 1 1 361 . 8 1 1 A 34 34 TYR C C 34 176.999 175.881 1.118 1 1 362 . 8 1 1 A 34 34 TYR CA C 34 59.537 59.679 -0.142 1 1 363 . 8 1 1 A 34 34 TYR CB C 34 39.744 39.120 0.624 1 1 368 . 8 1 1 A 34 34 TYR N N 34 118.663 124.550 -5.887 1 1 369 . 8 1 1 A 35 35 GLU H H 35 9.024 8.255 0.769 1 1 370 . 8 1 1 A 35 35 GLU HA H 35 4.401 4.896 -0.495 1 1 375 . 8 1 1 A 35 35 GLU C C 35 174.406 175.659 -1.253 1 1 376 . 8 1 1 A 35 35 GLU CA C 35 54.330 55.258 -0.928 1 1 377 . 8 1 1 A 35 35 GLU CB C 35 31.972 31.624 0.348 1 1 379 . 8 1 1 A 35 35 GLU N N 35 122.488 123.234 -0.746 1 1 380 . 8 1 1 A 36 36 HIS H H 36 8.639 8.855 -0.216 1 1 381 . 8 1 1 A 36 36 HIS HA H 36 4.980 5.290 -0.310 1 1 386 . 8 1 1 A 36 36 HIS C C 36 174.127 173.752 0.375 1 1 387 . 8 1 1 A 36 36 HIS CA C 36 55.607 54.222 1.385 1 1 388 . 8 1 1 A 36 36 HIS CB C 36 31.396 30.771 0.625 1 1 391 . 8 1 1 A 36 36 HIS N N 36 123.767 118.337 5.430 1 1 392 . 8 1 1 A 37 37 TYR H H 37 8.931 8.859 0.072 1 1 393 . 8 1 1 A 37 37 TYR HA H 37 5.668 5.103 0.565 1 1 400 . 8 1 1 A 37 37 TYR C C 37 177.969 175.109 2.860 1 1 401 . 8 1 1 A 37 37 TYR CA C 37 55.407 56.479 -1.072 1 1 402 . 8 1 1 A 37 37 TYR CB C 37 42.089 42.135 -0.046 1 1 407 . 8 1 1 A 37 37 TYR N N 37 124.075 122.610 1.465 1 1 408 . 8 1 1 A 38 38 TRP H H 38 8.931 9.682 -0.751 1 1 409 . 8 1 1 A 38 38 TRP HA H 38 4.329 5.007 -0.678 1 1 418 . 8 1 1 A 38 38 TRP C C 38 174.345 175.264 -0.919 1 1 419 . 8 1 1 A 38 38 TRP CA C 38 58.230 56.536 1.694 1 1 420 . 8 1 1 A 38 38 TRP CB C 38 28.846 29.391 -0.545 1 1 426 . 8 1 1 A 38 38 TRP N N 38 125.317 126.662 -1.345 1 1 428 . 8 1 1 A 39 39 THR H H 39 8.366 8.837 -0.471 1 1 429 . 8 1 1 A 39 39 THR HA H 39 5.535 5.015 0.520 1 1 434 . 8 1 1 A 39 39 THR C C 39 173.303 174.019 -0.716 1 1 435 . 8 1 1 A 39 39 THR CA C 39 62.037 63.229 -1.192 1 1 436 . 8 1 1 A 39 39 THR CB C 39 70.295 69.406 0.889 1 1 438 . 8 1 1 A 39 39 THR N N 39 127.024 122.605 4.419 1 1 439 . 8 1 1 A 40 40 GLU H H 40 8.902 10.241 -1.339 1 1 440 . 8 1 1 A 40 40 GLU HA H 40 4.816 4.692 0.124 1 1 445 . 8 1 1 A 40 40 GLU C C 40 175.351 174.708 0.643 1 1 446 . 8 1 1 A 40 40 GLU CA C 40 53.607 54.769 -1.162 1 1 447 . 8 1 1 A 40 40 GLU CB C 40 34.639 33.101 1.538 1 1 449 . 8 1 1 A 40 40 GLU N N 40 120.613 126.346 -5.733 1 1 450 . 8 1 1 A 41 41 LEU H H 41 8.910 8.886 0.024 1 1 451 . 8 1 1 A 41 41 LEU HA H 41 5.168 5.160 0.008 1 1 461 . 8 1 1 A 41 41 LEU C C 41 174.806 175.097 -0.291 1 1 462 . 8 1 1 A 41 41 LEU CA C 41 53.872 54.502 -0.630 1 1 463 . 8 1 1 A 41 41 LEU CB C 41 43.610 43.168 0.442 1 1 467 . 8 1 1 A 41 41 LEU N N 41 123.682 127.690 -4.008 1 1 468 . 8 1 1 A 42 42 ARG H H 42 9.150 8.309 0.841 1 1 469 . 8 1 1 A 42 42 ARG HA H 42 5.182 4.384 0.798 1 1 474 . 8 1 1 A 42 42 ARG C C 42 176.272 176.371 -0.099 1 1 475 . 8 1 1 A 42 42 ARG CA C 42 53.643 54.775 -1.132 1 1 476 . 8 1 1 A 42 42 ARG CB C 42 33.205 33.126 0.079 1 1 479 . 8 1 1 A 42 42 ARG N N 42 127.645 125.721 1.924 1 1 480 . 8 1 1 A 43 43 GLY H H 43 6.304 7.646 -1.342 1 1 481 . 8 1 1 A 43 43 GLY HA2 H 43 3.917 3.896 0.021 1 1 482 . 8 1 1 A 43 43 GLY HA3 H 43 3.812 4.050 -0.238 1 1 483 . 8 1 1 A 43 43 GLY C C 43 171.630 174.731 -3.101 1 1 484 . 8 1 1 A 43 43 GLY CA C 43 47.025 47.322 -0.297 1 1 485 . 8 1 1 A 43 43 GLY N N 43 112.565 113.120 -0.555 1 1 486 . 8 1 1 A 44 44 THR H H 44 7.841 8.509 -0.668 1 1 487 . 8 1 1 A 44 44 THR HA H 44 4.313 4.729 -0.416 1 1 492 . 8 1 1 A 44 44 THR C C 44 172.515 173.530 -1.015 1 1 493 . 8 1 1 A 44 44 THR CA C 44 60.207 60.886 -0.679 1 1 494 . 8 1 1 A 44 44 THR CB C 44 68.320 69.988 -1.668 1 1 496 . 8 1 1 A 44 44 THR N N 44 111.769 118.274 -6.505 1 1 497 . 8 1 1 A 45 45 THR H H 45 8.500 7.902 0.598 1 1 498 . 8 1 1 A 45 45 THR HA H 45 4.664 4.691 -0.027 1 1 503 . 8 1 1 A 45 45 THR C C 45 172.224 173.540 -1.316 1 1 504 . 8 1 1 A 45 45 THR CA C 45 62.413 61.704 0.709 1 1 505 . 8 1 1 A 45 45 THR CB C 45 69.848 70.448 -0.600 1 1 507 . 8 1 1 A 45 45 THR N N 45 118.681 117.025 1.656 1 1 508 . 8 1 1 A 46 46 LEU H H 46 8.391 8.703 -0.312 1 1 509 . 8 1 1 A 46 46 LEU HA H 46 4.892 4.378 0.514 1 1 519 . 8 1 1 A 46 46 LEU C C 46 174.260 175.612 -1.352 1 1 520 . 8 1 1 A 46 46 LEU CA C 46 52.654 54.885 -2.231 1 1 521 . 8 1 1 A 46 46 LEU CB C 46 42.911 42.149 0.762 1 1 525 . 8 1 1 A 46 46 LEU N N 46 125.559 128.247 -2.688 1 1 526 . 8 1 1 A 47 47 PHE H H 47 9.131 9.323 -0.192 1 1 527 . 8 1 1 A 47 47 PHE HA H 47 3.940 4.618 -0.678 1 1 535 . 8 1 1 A 47 47 PHE C C 47 173.363 174.384 -1.021 1 1 536 . 8 1 1 A 47 47 PHE CA C 47 57.454 55.846 1.608 1 1 537 . 8 1 1 A 47 47 PHE CB C 47 42.747 41.601 1.146 1 1 543 . 8 1 1 A 47 47 PHE N N 47 121.095 122.862 -1.767 1 1 544 . 8 1 1 A 48 48 PHE H H 48 7.881 9.150 -1.269 1 1 545 . 8 1 1 A 48 48 PHE HA H 48 5.021 5.466 -0.445 1 1 553 . 8 1 1 A 48 48 PHE C C 48 173.727 174.715 -0.988 1 1 554 . 8 1 1 A 48 48 PHE CA C 48 56.166 55.871 0.295 1 1 555 . 8 1 1 A 48 48 PHE CB C 48 39.169 41.218 -2.049 1 1 561 . 8 1 1 A 48 48 PHE N N 48 120.063 122.477 -2.414 1 1 562 . 8 1 1 A 49 49 TYR H H 49 9.972 9.869 0.103 1 1 563 . 8 1 1 A 49 49 TYR HA H 49 5.190 5.235 -0.045 1 1 570 . 8 1 1 A 49 49 TYR C C 49 176.587 176.623 -0.036 1 1 571 . 8 1 1 A 49 49 TYR CA C 49 56.254 57.021 -0.767 1 1 572 . 8 1 1 A 49 49 TYR CB C 49 41.842 42.773 -0.931 1 1 577 . 8 1 1 A 49 49 TYR N N 49 121.415 122.185 -0.770 1 1 578 . 8 1 1 A 50 50 THR H H 50 9.511 9.036 0.475 1 1 579 . 8 1 1 A 50 50 THR HA H 50 4.571 4.475 0.096 1 1 584 . 8 1 1 A 50 50 THR C C 50 174.793 175.119 -0.326 1 1 585 . 8 1 1 A 50 50 THR CA C 50 65.361 65.546 -0.185 1 1 586 . 8 1 1 A 50 50 THR CB C 50 69.043 69.076 -0.033 1 1 588 . 8 1 1 A 50 50 THR N N 50 114.446 116.328 -1.882 1 1 589 . 8 1 1 A 51 51 ASP H H 51 7.828 8.701 -0.873 1 1 590 . 8 1 1 A 51 51 ASP HA H 51 4.803 5.195 -0.392 1 1 593 . 8 1 1 A 51 51 ASP C C 51 174.685 175.811 -1.126 1 1 594 . 8 1 1 A 51 51 ASP CA C 51 53.254 55.864 -2.610 1 1 595 . 8 1 1 A 51 51 ASP CB C 51 43.586 43.140 0.446 1 1 596 . 8 1 1 A 51 51 ASP N N 51 115.656 119.874 -4.218 1 1 597 . 8 1 1 A 52 52 LYS H H 52 8.271 7.800 0.471 1 1 598 . 8 1 1 A 52 52 LYS HA H 52 2.800 4.314 -1.514 1 1 607 . 8 1 1 A 52 52 LYS C C 52 176.671 177.688 -1.017 1 1 608 . 8 1 1 A 52 52 LYS CA C 52 58.372 57.479 0.893 1 1 609 . 8 1 1 A 52 52 LYS CB C 52 32.178 34.083 -1.905 1 1 613 . 8 1 1 A 52 52 LYS N N 52 119.009 117.907 1.102 1 1 614 . 8 1 1 A 53 53 LYS H H 53 8.068 8.634 -0.566 1 1 615 . 8 1 1 A 53 53 LYS HA H 53 4.109 3.978 0.131 1 1 624 . 8 1 1 A 53 53 LYS C C 53 176.950 177.459 -0.509 1 1 625 . 8 1 1 A 53 53 LYS CA C 53 55.830 59.408 -3.578 1 1 626 . 8 1 1 A 53 53 LYS CB C 53 32.301 32.139 0.162 1 1 630 . 8 1 1 A 53 53 LYS N N 53 116.395 120.889 -4.494 1 1 631 . 8 1 1 A 54 54 SER H H 54 7.549 7.705 -0.156 1 1 632 . 8 1 1 A 54 54 SER HA H 54 4.316 4.367 -0.051 1 1 635 . 8 1 1 A 54 54 SER C C 54 174.394 175.040 -0.646 1 1 636 . 8 1 1 A 54 54 SER CA C 54 59.395 58.838 0.557 1 1 637 . 8 1 1 A 54 54 SER CB C 54 64.337 64.022 0.315 1 1 638 . 8 1 1 A 54 54 SER N N 54 116.653 113.993 2.660 1 1 639 . 8 1 1 A 55 55 ILE H H 55 8.424 8.926 -0.502 1 1 640 . 8 1 1 A 55 55 ILE HA H 55 4.267 4.289 -0.022 1 1 650 . 8 1 1 A 55 55 ILE C C 55 174.999 176.476 -1.477 1 1 651 . 8 1 1 A 55 55 ILE CA C 55 62.213 63.712 -1.499 1 1 652 . 8 1 1 A 55 55 ILE CB C 55 38.728 38.829 -0.101 1 1 656 . 8 1 1 A 55 55 ILE N N 55 118.660 128.592 -9.932 1 1 657 . 8 1 1 A 56 56 ILE H H 56 7.771 7.922 -0.151 1 1 658 . 8 1 1 A 56 56 ILE HA H 56 4.561 4.082 0.479 1 1 668 . 8 1 1 A 56 56 ILE C C 56 175.266 175.104 0.162 1 1 669 . 8 1 1 A 56 56 ILE CA C 56 59.342 60.673 -1.331 1 1 670 . 8 1 1 A 56 56 ILE CB C 56 39.506 36.830 2.676 1 1 674 . 8 1 1 A 56 56 ILE N N 56 119.568 121.647 -2.079 1 1 675 . 8 1 1 A 57 57 TYR H H 57 7.251 8.725 -1.474 1 1 676 . 8 1 1 A 57 57 TYR HA H 57 4.261 4.052 0.209 1 1 683 . 8 1 1 A 57 57 TYR C C 57 174.902 176.645 -1.743 1 1 684 . 8 1 1 A 57 57 TYR CA C 57 56.201 57.782 -1.581 1 1 685 . 8 1 1 A 57 57 TYR CB C 57 37.230 38.428 -1.198 1 1 690 . 8 1 1 A 58 58 VAL H H 58 9.157 8.384 0.773 1 1 691 . 8 1 1 A 58 58 VAL HA H 58 4.251 3.919 0.332 1 1 699 . 8 1 1 A 58 58 VAL C C 58 175.812 174.971 0.841 1 1 700 . 8 1 1 A 58 58 VAL CA C 58 62.360 64.715 -2.355 1 1 701 . 8 1 1 A 58 58 VAL CB C 58 33.123 32.325 0.798 1 1 704 . 8 1 1 A 58 58 VAL N N 58 116.888 120.402 -3.514 1 1 705 . 8 1 1 A 59 59 ASP H H 59 7.990 7.486 0.504 1 1 706 . 8 1 1 A 59 59 ASP HA H 59 4.970 5.164 -0.194 1 1 709 . 8 1 1 A 59 59 ASP C C 59 172.346 173.911 -1.565 1 1 710 . 8 1 1 A 59 59 ASP CA C 59 52.601 54.050 -1.449 1 1 711 . 8 1 1 A 59 59 ASP CB C 59 42.952 44.078 -1.126 1 1 712 . 8 1 1 A 59 59 ASP N N 59 117.301 120.103 -2.802 1 1 713 . 8 1 1 A 60 60 LYS H H 60 8.991 8.756 0.235 1 1 714 . 8 1 1 A 60 60 LYS HA H 60 4.761 4.210 0.551 1 1 723 . 8 1 1 A 60 60 LYS C C 60 173.666 174.553 -0.887 1 1 724 . 8 1 1 A 60 60 LYS CA C 60 54.718 53.622 1.096 1 1 725 . 8 1 1 A 60 60 LYS CB C 60 35.097 35.794 -0.697 1 1 729 . 8 1 1 A 60 60 LYS N N 60 118.648 120.138 -1.490 1 1 730 . 8 1 1 A 61 61 LEU H H 61 8.702 9.063 -0.361 1 1 731 . 8 1 1 A 61 61 LEU HA H 61 4.462 4.909 -0.447 1 1 741 . 8 1 1 A 61 61 LEU C C 61 173.630 174.734 -1.104 1 1 742 . 8 1 1 A 61 61 LEU CA C 61 54.065 53.023 1.042 1 1 743 . 8 1 1 A 61 61 LEU CB C 61 47.032 45.948 1.084 1 1 747 . 8 1 1 A 61 61 LEU N N 61 121.890 120.773 1.117 1 1 748 . 8 1 1 A 62 62 ASP H H 62 8.868 8.569 0.299 1 1 749 . 8 1 1 A 62 62 ASP HA H 62 4.841 4.949 -0.108 1 1 752 . 8 1 1 A 62 62 ASP C C 62 178.029 174.865 3.164 1 1 753 . 8 1 1 A 62 62 ASP CA C 62 53.819 53.442 0.377 1 1 754 . 8 1 1 A 62 62 ASP CB C 62 40.772 44.075 -3.303 1 1 755 . 8 1 1 A 62 62 ASP N N 62 128.697 119.364 9.333 1 1 756 . 8 1 1 A 63 63 ILE H H 63 9.261 8.095 1.166 1 1 757 . 8 1 1 A 63 63 ILE HA H 63 4.554 4.605 -0.051 1 1 767 . 8 1 1 A 63 63 ILE C C 63 175.617 176.948 -1.331 1 1 768 . 8 1 1 A 63 63 ILE CA C 63 60.736 60.253 0.483 1 1 769 . 8 1 1 A 63 63 ILE CB C 63 38.364 37.859 0.505 1 1 773 . 8 1 1 A 63 63 ILE N N 63 120.253 120.744 -0.491 1 1 774 . 8 1 1 A 64 64 VAL H H 64 8.010 7.667 0.343 1 1 775 . 8 1 1 A 64 64 VAL HA H 64 3.781 3.878 -0.097 1 1 783 . 8 1 1 A 64 64 VAL C C 64 174.878 176.858 -1.980 1 1 784 . 8 1 1 A 64 64 VAL CA C 64 65.572 64.737 0.835 1 1 785 . 8 1 1 A 64 64 VAL CB C 64 30.532 31.758 -1.226 1 1 788 . 8 1 1 A 64 64 VAL N N 64 122.413 122.497 -0.084 1 1 789 . 8 1 1 A 65 65 ASP H H 65 8.391 7.726 0.665 1 1 790 . 8 1 1 A 65 65 ASP HA H 65 4.841 4.814 0.027 1 1 793 . 8 1 1 A 65 65 ASP C C 65 174.854 175.592 -0.738 1 1 794 . 8 1 1 A 65 65 ASP CA C 65 53.483 53.914 -0.431 1 1 795 . 8 1 1 A 65 65 ASP CB C 65 40.114 41.097 -0.983 1 1 796 . 8 1 1 A 65 65 ASP N N 65 119.308 119.235 0.073 1 1 797 . 8 1 1 A 66 66 LEU H H 66 7.517 7.348 0.169 1 1 798 . 8 1 1 A 66 66 LEU HA H 66 3.962 4.161 -0.199 1 1 808 . 8 1 1 A 66 66 LEU C C 66 176.708 177.551 -0.843 1 1 809 . 8 1 1 A 66 66 LEU CA C 66 57.471 56.471 1.000 1 1 810 . 8 1 1 A 66 66 LEU CB C 66 43.322 42.833 0.489 1 1 814 . 8 1 1 A 66 66 LEU N N 66 120.009 122.928 -2.919 1 1 815 . 8 1 1 A 67 67 THR H H 67 9.329 10.229 -0.900 1 1 816 . 8 1 1 A 67 67 THR HA H 67 4.363 4.312 0.051 1 1 821 . 8 1 1 A 67 67 THR C C 67 175.145 174.123 1.022 1 1 822 . 8 1 1 A 67 67 THR CA C 67 64.019 63.705 0.314 1 1 823 . 8 1 1 A 67 67 THR CB C 67 69.107 69.188 -0.081 1 1 825 . 8 1 1 A 67 67 THR N N 67 123.534 121.063 2.471 1 1 826 . 8 1 1 A 68 68 CYS H H 68 7.584 7.073 0.511 1 1 827 . 8 1 1 A 68 68 CYS HA H 68 4.604 4.724 -0.120 1 1 830 . 8 1 1 A 68 68 CYS C C 68 170.528 172.289 -1.761 1 1 831 . 8 1 1 A 68 68 CYS CA C 68 57.402 58.642 -1.240 1 1 832 . 8 1 1 A 68 68 CYS CB C 68 29.175 31.043 -1.868 1 1 833 . 8 1 1 A 68 68 CYS N N 68 115.015 115.875 -0.860 1 1 834 . 8 1 1 A 69 69 LEU H H 69 8.730 8.650 0.080 1 1 835 . 8 1 1 A 69 69 LEU HA H 69 5.411 5.051 0.360 1 1 845 . 8 1 1 A 69 69 LEU C C 69 176.356 175.041 1.315 1 1 846 . 8 1 1 A 69 69 LEU CA C 69 54.242 54.080 0.162 1 1 847 . 8 1 1 A 69 69 LEU CB C 69 44.885 45.744 -0.859 1 1 851 . 8 1 1 A 69 69 LEU N N 69 125.633 122.659 2.974 1 1 852 . 8 1 1 A 70 70 THR H H 70 9.197 8.718 0.479 1 1 853 . 8 1 1 A 70 70 THR HA H 70 4.702 5.368 -0.666 1 1 858 . 8 1 1 A 70 70 THR C C 70 173.582 173.462 0.120 1 1 859 . 8 1 1 A 70 70 THR CA C 70 60.384 59.290 1.094 1 1 860 . 8 1 1 A 70 70 THR CB C 70 70.870 71.525 -0.655 1 1 862 . 8 1 1 A 70 70 THR N N 70 120.391 117.887 2.504 1 1 863 . 8 1 1 A 71 71 GLU H H 71 8.965 8.892 0.073 1 1 864 . 8 1 1 A 71 71 GLU HA H 71 4.685 5.010 -0.325 1 1 869 . 8 1 1 A 71 71 GLU C C 71 175.957 175.146 0.811 1 1 870 . 8 1 1 A 71 71 GLU CA C 71 56.254 54.851 1.403 1 1 871 . 8 1 1 A 71 71 GLU CB C 71 31.396 32.931 -1.535 1 1 873 . 8 1 1 A 71 71 GLU N N 71 124.718 121.185 3.533 1 1 874 . 8 1 1 A 72 72 GLN H H 72 8.318 8.427 -0.109 1 1 875 . 8 1 1 A 72 72 GLN HA H 72 4.629 4.842 -0.213 1 1 882 . 8 1 1 A 72 72 GLN C C 72 175.254 174.866 0.388 1 1 883 . 8 1 1 A 72 72 GLN CA C 72 55.336 54.468 0.868 1 1 884 . 8 1 1 A 72 72 GLN CB C 72 30.533 31.866 -1.333 1 1 886 . 8 1 1 A 72 72 GLN N N 72 123.543 121.821 1.722 1 1 888 . 8 1 1 A 73 73 ASN H H 73 8.670 8.715 -0.045 1 1 889 . 8 1 1 A 73 73 ASN HA H 73 4.688 5.075 -0.387 1 1 894 . 8 1 1 A 73 73 ASN C C 73 175.229 174.586 0.643 1 1 895 . 8 1 1 A 73 73 ASN CA C 73 53.607 52.507 1.100 1 1 896 . 8 1 1 A 73 73 ASN CB C 73 39.169 39.542 -0.373 1 1 897 . 8 1 1 A 73 73 ASN N N 73 120.534 120.319 0.215 1 1 899 . 8 1 1 A 74 74 SER H H 74 8.641 9.022 -0.381 1 1 900 . 8 1 1 A 74 74 SER HA H 74 4.652 4.598 0.054 1 1 903 . 8 1 1 A 74 74 SER C C 74 175.121 175.520 -0.399 1 1 904 . 8 1 1 A 74 74 SER CA C 74 58.409 59.796 -1.387 1 1 905 . 8 1 1 A 74 74 SER CB C 74 64.401 65.093 -0.692 1 1 906 . 8 1 1 A 74 74 SER N N 74 117.448 117.491 -0.043 1 1 907 . 8 1 1 A 75 75 THR HA H 75 4.282 4.468 -0.186 1 1 912 . 8 1 1 A 75 75 THR C C 75 174.878 174.611 0.267 1 1 913 . 8 1 1 A 75 75 THR CA C 75 62.819 63.562 -0.743 1 1 914 . 8 1 1 A 75 75 THR CB C 75 69.061 70.917 -1.856 1 1 916 . 8 1 1 A 76 76 GLU H H 76 8.156 7.849 0.307 1 1 917 . 8 1 1 A 76 76 GLU HA H 76 4.350 4.493 -0.143 1 1 922 . 8 1 1 A 76 76 GLU C C 76 176.138 175.852 0.286 1 1 923 . 8 1 1 A 76 76 GLU CA C 76 56.202 56.121 0.081 1 1 924 . 8 1 1 A 76 76 GLU CB C 76 30.532 30.199 0.333 1 1 926 . 8 1 1 A 76 76 GLU N N 76 122.220 117.614 4.606 1 1 927 . 8 1 1 A 77 77 LYS H H 77 8.443 8.521 -0.078 1 1 928 . 8 1 1 A 77 77 LYS HA H 77 4.221 3.897 0.324 1 1 937 . 8 1 1 A 77 77 LYS C C 77 176.465 176.115 0.350 1 1 938 . 8 1 1 A 77 77 LYS CA C 77 56.730 57.296 -0.566 1 1 939 . 8 1 1 A 77 77 LYS CB C 77 32.301 30.983 1.318 1 1 943 . 8 1 1 A 77 77 LYS N N 77 122.162 122.600 -0.438 1 1 944 . 8 1 1 A 78 78 ASN H H 78 8.621 8.128 0.493 1 1 945 . 8 1 1 A 78 78 ASN HA H 78 4.641 4.956 -0.315 1 1 950 . 8 1 1 A 78 78 ASN C C 78 173.485 174.743 -1.258 1 1 951 . 8 1 1 A 78 78 ASN CA C 78 53.748 54.933 -1.185 1 1 952 . 8 1 1 A 78 78 ASN CB C 78 38.058 41.242 -3.184 1 1 953 . 8 1 1 A 78 78 ASN N N 78 116.583 121.019 -4.436 1 1 955 . 8 1 1 A 79 79 CYS H H 79 7.551 7.848 -0.297 1 1 956 . 8 1 1 A 79 79 CYS HA H 79 4.371 4.927 -0.556 1 1 959 . 8 1 1 A 79 79 CYS C C 79 172.515 173.531 -1.016 1 1 960 . 8 1 1 A 79 79 CYS CA C 79 57.295 56.628 0.667 1 1 961 . 8 1 1 A 79 79 CYS CB C 79 29.628 30.759 -1.131 1 1 962 . 8 1 1 A 79 79 CYS N N 79 112.640 114.866 -2.226 1 1 963 . 8 1 1 A 80 80 ALA H H 80 7.642 8.741 -1.099 1 1 964 . 8 1 1 A 80 80 ALA HA H 80 4.727 5.244 -0.517 1 1 968 . 8 1 1 A 80 80 ALA C C 80 175.314 175.991 -0.677 1 1 969 . 8 1 1 A 80 80 ALA CA C 80 51.330 50.382 0.948 1 1 970 . 8 1 1 A 80 80 ALA CB C 80 21.896 20.686 1.210 1 1 971 . 8 1 1 A 80 80 ALA N N 80 124.099 123.856 0.243 1 1 972 . 8 1 1 A 81 81 LYS H H 81 8.459 8.802 -0.343 1 1 973 . 8 1 1 A 81 81 LYS HA H 81 5.112 4.739 0.373 1 1 982 . 8 1 1 A 81 81 LYS C C 81 174.781 174.997 -0.216 1 1 983 . 8 1 1 A 81 81 LYS CA C 81 55.283 54.561 0.722 1 1 984 . 8 1 1 A 81 81 LYS CB C 81 36.133 35.017 1.116 1 1 988 . 8 1 1 A 81 81 LYS N N 81 119.796 123.075 -3.279 1 1 989 . 8 1 1 A 82 82 PHE H H 82 8.748 8.177 0.571 1 1 990 . 8 1 1 A 82 82 PHE HA H 82 5.513 5.707 -0.194 1 1 998 . 8 1 1 A 82 82 PHE C C 82 174.357 172.626 1.731 1 1 999 . 8 1 1 A 82 82 PHE CA C 82 55.643 55.970 -0.327 1 1 1000 . 8 1 1 A 82 82 PHE CB C 82 42.089 42.445 -0.356 1 1 1006 . 8 1 1 A 82 82 PHE N N 82 119.073 119.858 -0.785 1 1 1007 . 8 1 1 A 83 83 THR H H 83 9.290 8.514 0.776 1 1 1008 . 8 1 1 A 83 83 THR HA H 83 5.032 4.963 0.069 1 1 1013 . 8 1 1 A 83 83 THR C C 83 173.472 174.062 -0.590 1 1 1014 . 8 1 1 A 83 83 THR CA C 83 62.113 61.566 0.547 1 1 1015 . 8 1 1 A 83 83 THR CB C 83 71.076 70.509 0.567 1 1 1017 . 8 1 1 A 83 83 THR N N 83 116.845 116.204 0.641 1 1 1018 . 8 1 1 A 84 84 LEU H H 84 9.502 9.360 0.142 1 1 1019 . 8 1 1 A 84 84 LEU HA H 84 4.691 4.791 -0.100 1 1 1029 . 8 1 1 A 84 84 LEU C C 84 174.308 176.176 -1.868 1 1 1030 . 8 1 1 A 84 84 LEU CA C 84 54.224 54.087 0.137 1 1 1031 . 8 1 1 A 84 84 LEU CB C 84 41.636 41.489 0.147 1 1 1035 . 8 1 1 A 84 84 LEU N N 84 125.923 128.376 -2.453 1 1 1036 . 8 1 1 A 85 85 VAL H H 85 8.620 8.222 0.398 1 1 1037 . 8 1 1 A 85 85 VAL HA H 85 4.151 4.258 -0.107 1 1 1045 . 8 1 1 A 85 85 VAL C C 85 174.188 175.542 -1.354 1 1 1046 . 8 1 1 A 85 85 VAL CA C 85 63.649 63.040 0.609 1 1 1047 . 8 1 1 A 85 85 VAL CB C 85 30.861 31.259 -0.398 1 1 1050 . 8 1 1 A 85 85 VAL N N 85 126.007 125.416 0.591 1 1 1051 . 8 1 1 A 86 86 LEU H H 86 8.534 8.412 0.122 1 1 1052 . 8 1 1 A 86 86 LEU HA H 86 4.853 4.802 0.051 1 1 1062 . 8 1 1 A 86 86 LEU C C 86 174.878 176.647 -1.769 1 1 1063 . 8 1 1 A 86 86 LEU CA C 86 53.183 51.693 1.490 1 1 1064 . 8 1 1 A 86 86 LEU CB C 86 40.485 44.902 -4.417 1 1 1068 . 8 1 1 A 86 86 LEU N N 86 129.551 128.371 1.180 1 1 1069 . 8 1 1 A 87 87 PRO HA H 87 4.221 4.542 -0.321 1 1 1076 . 8 1 1 A 87 87 PRO C C 87 178.223 177.082 1.141 1 1 1077 . 8 1 1 A 87 87 PRO CA C 87 66.455 64.169 2.286 1 1 1078 . 8 1 1 A 87 87 PRO CB C 87 32.260 31.696 0.564 1 1 1081 . 8 1 1 A 88 88 LYS H H 88 8.414 8.201 0.213 1 1 1082 . 8 1 1 A 88 88 LYS HA H 88 4.548 4.391 0.157 1 1 1091 . 8 1 1 A 88 88 LYS C C 88 176.187 176.385 -0.198 1 1 1092 . 8 1 1 A 88 88 LYS CA C 88 55.071 56.971 -1.900 1 1 1093 . 8 1 1 A 88 88 LYS CB C 88 33.534 34.133 -0.599 1 1 1097 . 8 1 1 A 88 88 LYS N N 88 110.404 116.715 -6.311 1 1 1098 . 8 1 1 A 89 89 GLU H H 89 7.208 7.759 -0.551 1 1 1099 . 8 1 1 A 89 89 GLU HA H 89 4.561 4.715 -0.154 1 1 1104 . 8 1 1 A 89 89 GLU C C 89 172.527 174.095 -1.568 1 1 1105 . 8 1 1 A 89 89 GLU CA C 89 56.007 55.722 0.285 1 1 1106 . 8 1 1 A 89 89 GLU CB C 89 33.082 33.542 -0.460 1 1 1108 . 8 1 1 A 89 89 GLU N N 89 116.828 114.940 1.888 1 1 1109 . 8 1 1 A 90 90 GLU H H 90 8.321 8.590 -0.269 1 1 1110 . 8 1 1 A 90 90 GLU HA H 90 5.249 5.133 0.116 1 1 1115 . 8 1 1 A 90 90 GLU C C 90 176.296 175.946 0.350 1 1 1116 . 8 1 1 A 90 90 GLU CA C 90 54.860 55.681 -0.821 1 1 1117 . 8 1 1 A 90 90 GLU CB C 90 31.972 31.844 0.128 1 1 1119 . 8 1 1 A 90 90 GLU N N 90 119.609 123.806 -4.197 1 1 1120 . 8 1 1 A 91 91 VAL H H 91 8.972 8.446 0.526 1 1 1121 . 8 1 1 A 91 91 VAL HA H 91 4.352 4.719 -0.367 1 1 1129 . 8 1 1 A 91 91 VAL C C 91 174.284 174.621 -0.337 1 1 1130 . 8 1 1 A 91 91 VAL CA C 91 61.284 60.016 1.268 1 1 1131 . 8 1 1 A 91 91 VAL CB C 91 34.891 35.624 -0.733 1 1 1134 . 8 1 1 A 91 91 VAL N N 91 123.947 122.504 1.443 1 1 1135 . 8 1 1 A 92 92 GLN H H 92 8.241 8.638 -0.397 1 1 1136 . 8 1 1 A 92 92 GLN HA H 92 4.930 5.056 -0.126 1 1 1143 . 8 1 1 A 92 92 GLN C C 92 174.115 175.081 -0.966 1 1 1144 . 8 1 1 A 92 92 GLN CA C 92 55.583 54.561 1.022 1 1 1145 . 8 1 1 A 92 92 GLN CB C 92 30.121 31.084 -0.963 1 1 1147 . 8 1 1 A 92 92 GLN N N 92 125.869 125.184 0.685 1 1 1149 . 8 1 1 A 93 93 LEU H H 93 9.145 8.549 0.596 1 1 1150 . 8 1 1 A 93 93 LEU HA H 93 5.456 4.979 0.477 1 1 1160 . 8 1 1 A 93 93 LEU C C 93 176.256 175.398 0.858 1 1 1161 . 8 1 1 A 93 93 LEU CA C 93 53.801 53.475 0.326 1 1 1162 . 8 1 1 A 93 93 LEU CB C 93 45.913 46.250 -0.337 1 1 1166 . 8 1 1 A 93 93 LEU N N 93 123.952 124.298 -0.346 1 1 1167 . 8 1 1 A 94 94 LYS H H 94 9.255 7.903 1.352 1 1 1168 . 8 1 1 A 94 94 LYS HA H 94 5.452 4.400 1.052 1 1 1177 . 8 1 1 A 94 94 LYS C C 94 174.563 174.729 -0.166 1 1 1178 . 8 1 1 A 94 94 LYS CA C 94 54.718 55.310 -0.592 1 1 1179 . 8 1 1 A 94 94 LYS CB C 94 36.571 35.783 0.788 1 1 1183 . 8 1 1 A 94 94 LYS N N 94 124.618 120.549 4.069 1 1 1184 . 8 1 1 A 95 95 THR H H 95 8.582 7.892 0.690 1 1 1185 . 8 1 1 A 95 95 THR HA H 95 4.946 4.452 0.494 1 1 1190 . 8 1 1 A 95 95 THR C C 95 175.278 175.353 -0.075 1 1 1191 . 8 1 1 A 95 95 THR CA C 95 59.908 62.000 -2.092 1 1 1192 . 8 1 1 A 95 95 THR CB C 95 70.917 70.864 0.053 1 1 1194 . 8 1 1 A 95 95 THR N N 95 112.788 117.050 -4.262 1 1 1195 . 8 1 1 A 96 96 GLU H H 96 9.033 7.960 1.073 1 1 1196 . 8 1 1 A 96 96 GLU HA H 96 4.321 3.867 0.454 1 1 1201 . 8 1 1 A 96 96 GLU C C 96 175.435 174.915 0.520 1 1 1202 . 8 1 1 A 96 96 GLU CA C 96 57.595 57.590 0.005 1 1 1203 . 8 1 1 A 96 96 GLU CB C 96 30.656 27.178 3.478 1 1 1205 . 8 1 1 A 96 96 GLU N N 96 117.745 117.012 0.733 1 1 1206 . 8 1 1 A 97 97 ASN H H 97 7.562 7.900 -0.338 1 1 1207 . 8 1 1 A 97 97 ASN HA H 97 5.074 4.914 0.160 1 1 1212 . 8 1 1 A 97 97 ASN C C 97 176.575 174.938 1.637 1 1 1213 . 8 1 1 A 97 97 ASN CA C 97 52.195 53.164 -0.969 1 1 1214 . 8 1 1 A 97 97 ASN CB C 97 40.485 40.963 -0.478 1 1 1215 . 8 1 1 A 97 97 ASN N N 97 110.462 116.992 -6.530 1 1 1217 . 8 1 1 A 98 98 THR HA H 98 3.916 3.880 0.036 1 1 1222 . 8 1 1 A 98 98 THR C C 98 176.938 175.966 0.972 1 1 1223 . 8 1 1 A 98 98 THR CA C 98 66.349 66.376 -0.027 1 1 1224 . 8 1 1 A 98 98 THR CB C 98 68.638 69.068 -0.430 1 1 1226 . 8 1 1 A 99 99 GLU H H 99 9.316 8.420 0.896 1 1 1227 . 8 1 1 A 99 99 GLU HA H 99 4.221 4.110 0.111 1 1 1232 . 8 1 1 A 99 99 GLU C C 99 179.241 179.212 0.029 1 1 1233 . 8 1 1 A 99 99 GLU CA C 99 60.754 59.511 1.243 1 1 1234 . 8 1 1 A 99 99 GLU CB C 99 28.764 29.674 -0.910 1 1 1236 . 8 1 1 A 99 99 GLU N N 99 125.868 120.068 5.800 1 1 1237 . 8 1 1 A 100 100 SER H H 100 8.739 8.463 0.276 1 1 1238 . 8 1 1 A 100 100 SER HA H 100 4.863 4.428 0.435 1 1 1241 . 8 1 1 A 100 100 SER C C 100 177.411 177.343 0.068 1 1 1242 . 8 1 1 A 100 100 SER CA C 100 61.037 62.740 -1.703 1 1 1243 . 8 1 1 A 100 100 SER CB C 100 63.879 62.788 1.091 1 1 1244 . 8 1 1 A 100 100 SER N N 100 114.755 116.981 -2.226 1 1 1245 . 8 1 1 A 101 101 GLY H H 101 7.879 9.187 -1.308 1 1 1246 . 8 1 1 A 101 101 GLY HA2 H 101 4.139 4.006 0.133 1 1 1247 . 8 1 1 A 101 101 GLY HA3 H 101 4.012 4.133 -0.121 1 1 1248 . 8 1 1 A 101 101 GLY C C 101 174.611 176.333 -1.722 1 1 1249 . 8 1 1 A 101 101 GLY CA C 101 48.948 47.628 1.320 1 1 1250 . 8 1 1 A 101 101 GLY N N 101 108.940 110.279 -1.339 1 1 1251 . 8 1 1 A 102 102 GLU H H 102 7.801 9.082 -1.281 1 1 1252 . 8 1 1 A 102 102 GLU HA H 102 4.171 4.075 0.096 1 1 1257 . 8 1 1 A 102 102 GLU C C 102 179.084 179.137 -0.053 1 1 1258 . 8 1 1 A 102 102 GLU CA C 102 58.601 59.519 -0.918 1 1 1259 . 8 1 1 A 102 102 GLU CB C 102 29.627 29.480 0.147 1 1 1261 . 8 1 1 A 102 102 GLU N N 102 120.720 121.605 -0.885 1 1 1262 . 8 1 1 A 103 103 GLU H H 103 7.781 8.535 -0.754 1 1 1263 . 8 1 1 A 103 103 GLU HA H 103 3.739 3.992 -0.253 1 1 1268 . 8 1 1 A 103 103 GLU C C 103 178.235 179.353 -1.118 1 1 1269 . 8 1 1 A 103 103 GLU CA C 103 60.366 59.264 1.102 1 1 1270 . 8 1 1 A 103 103 GLU CB C 103 30.491 29.276 1.215 1 1 1272 . 8 1 1 A 103 103 GLU N N 103 119.068 118.526 0.542 1 1 1273 . 8 1 1 A 104 104 TRP H H 104 8.761 8.489 0.272 1 1 1274 . 8 1 1 A 104 104 TRP HA H 104 4.171 4.638 -0.467 1 1 1283 . 8 1 1 A 104 104 TRP C C 104 178.817 178.838 -0.021 1 1 1284 . 8 1 1 A 104 104 TRP CA C 104 62.290 60.768 1.522 1 1 1285 . 8 1 1 A 104 104 TRP CB C 104 29.340 29.668 -0.328 1 1 1291 . 8 1 1 A 104 104 TRP N N 104 118.358 120.977 -2.619 1 1 1293 . 8 1 1 A 105 105 ARG H H 105 8.400 8.779 -0.379 1 1 1294 . 8 1 1 A 105 105 ARG HA H 105 3.481 3.743 -0.262 1 1 1302 . 8 1 1 A 105 105 ARG C C 105 177.666 178.990 -1.324 1 1 1303 . 8 1 1 A 105 105 ARG CA C 105 60.666 59.608 1.058 1 1 1304 . 8 1 1 A 105 105 ARG CB C 105 30.162 29.908 0.254 1 1 1307 . 8 1 1 A 105 105 ARG N N 105 117.098 119.725 -2.627 1 1 1309 . 8 1 1 A 106 106 GLY H H 106 8.202 8.840 -0.638 1 1 1310 . 8 1 1 A 106 106 GLY HA2 H 106 3.470 3.501 -0.031 1 1 1311 . 8 1 1 A 106 106 GLY HA3 H 106 3.382 3.535 -0.153 1 1 1312 . 8 1 1 A 106 106 GLY C C 106 176.162 176.161 0.001 1 1 1313 . 8 1 1 A 106 106 GLY CA C 106 47.554 47.233 0.321 1 1 1314 . 8 1 1 A 106 106 GLY N N 106 104.212 106.638 -2.426 1 1 1315 . 8 1 1 A 107 107 PHE H H 107 8.491 8.985 -0.494 1 1 1316 . 8 1 1 A 107 107 PHE HA H 107 3.722 4.355 -0.633 1 1 1324 . 8 1 1 A 107 107 PHE C C 107 177.265 178.058 -0.793 1 1 1325 . 8 1 1 A 107 107 PHE CA C 107 64.284 59.777 4.507 1 1 1326 . 8 1 1 A 107 107 PHE CB C 107 39.209 38.459 0.750 1 1 1332 . 8 1 1 A 107 107 PHE N N 107 122.710 120.578 2.132 1 1 1333 . 8 1 1 A 108 108 ILE H H 108 8.674 9.529 -0.855 1 1 1334 . 8 1 1 A 108 108 ILE HA H 108 3.523 3.733 -0.210 1 1 1344 . 8 1 1 A 108 108 ILE C C 108 178.623 178.073 0.550 1 1 1345 . 8 1 1 A 108 108 ILE CA C 108 66.384 65.045 1.339 1 1 1346 . 8 1 1 A 108 108 ILE CB C 108 37.852 37.874 -0.022 1 1 1350 . 8 1 1 A 108 108 ILE N N 108 117.395 120.047 -2.652 1 1 1351 . 8 1 1 A 109 109 LEU H H 109 8.378 8.311 0.067 1 1 1352 . 8 1 1 A 109 109 LEU HA H 109 4.032 4.326 -0.294 1 1 1362 . 8 1 1 A 109 109 LEU C C 109 178.635 179.455 -0.820 1 1 1363 . 8 1 1 A 109 109 LEU CA C 109 57.878 57.775 0.103 1 1 1364 . 8 1 1 A 109 109 LEU CB C 109 40.854 41.679 -0.825 1 1 1368 . 8 1 1 A 109 109 LEU N N 109 118.573 119.531 -0.958 1 1 1369 . 8 1 1 A 110 110 THR H H 110 7.600 7.723 -0.123 1 1 1370 . 8 1 1 A 110 110 THR HA H 110 4.110 4.499 -0.389 1 1 1375 . 8 1 1 A 110 110 THR C C 110 177.265 175.994 1.271 1 1 1376 . 8 1 1 A 110 110 THR CA C 110 68.325 66.041 2.284 1 1 1377 . 8 1 1 A 110 110 THR CB C 110 68.230 68.998 -0.768 1 1 1379 . 8 1 1 A 110 110 THR N N 110 115.926 115.051 0.875 1 1 1380 . 8 1 1 A 111 111 VAL H H 111 7.490 7.895 -0.405 1 1 1381 . 8 1 1 A 111 111 VAL HA H 111 3.912 4.366 -0.454 1 1 1389 . 8 1 1 A 111 111 VAL C C 111 174.793 176.699 -1.906 1 1 1390 . 8 1 1 A 111 111 VAL CA C 111 64.601 61.238 3.363 1 1 1391 . 8 1 1 A 111 111 VAL CB C 111 32.007 31.620 0.387 1 1 1394 . 8 1 1 A 111 111 VAL N N 111 109.123 115.287 -6.164 1 1 1395 . 8 1 1 A 112 112 THR H H 112 7.410 7.641 -0.231 1 1 1396 . 8 1 1 A 112 112 THR HA H 112 4.494 4.601 -0.107 1 1 1401 . 8 1 1 A 112 112 THR C C 112 177.265 175.463 1.802 1 1 1402 . 8 1 1 A 112 112 THR CA C 112 62.784 62.138 0.646 1 1 1403 . 8 1 1 A 112 112 THR CB C 112 69.290 70.349 -1.059 1 1 1405 . 8 1 1 A 112 112 THR N N 112 107.046 112.155 -5.109 1 1 1406 . 8 1 1 A 113 113 GLU H H 113 8.541 8.333 0.208 1 1 1407 . 8 1 1 A 113 113 GLU HA H 113 4.280 4.323 -0.043 1 1 1412 . 8 1 1 A 113 113 GLU C C 113 176.745 175.839 0.906 1 1 1413 . 8 1 1 A 113 113 GLU CA C 113 57.048 56.362 0.686 1 1 1414 . 8 1 1 A 113 113 GLU CB C 113 29.422 30.273 -0.851 1 1 1416 . 8 1 1 A 113 113 GLU N N 113 120.888 120.424 0.464 1 1 1417 . 8 1 1 A 114 114 LEU H H 114 7.561 7.929 -0.368 1 1 1418 . 8 1 1 A 114 114 LEU HA H 114 4.042 3.924 0.118 1 1 1428 . 8 1 1 A 114 114 LEU C C 114 175.569 175.498 0.071 1 1 1429 . 8 1 1 A 114 114 LEU CA C 114 55.213 56.332 -1.119 1 1 1430 . 8 1 1 A 114 114 LEU CB C 114 38.182 40.672 -2.490 1 1 1434 . 8 1 1 A 114 114 LEU N N 114 114.453 118.884 -4.431 1 1 1435 . 8 1 1 A 115 115 SER H H 115 7.113 7.661 -0.548 1 1 1436 . 8 1 1 A 115 115 SER HA H 115 4.315 4.706 -0.391 1 1 1439 . 8 1 1 A 115 115 SER C C 115 173.521 172.088 1.433 1 1 1440 . 8 1 1 A 115 115 SER CA C 115 57.454 55.709 1.745 1 1 1441 . 8 1 1 A 115 115 SER CB C 115 64.505 64.874 -0.369 1 1 1442 . 8 1 1 A 115 115 SER N N 115 110.010 112.307 -2.297 1 1 1443 . 8 1 1 A 116 116 VAL H H 116 8.635 8.475 0.160 1 1 1444 . 8 1 1 A 116 116 VAL HA H 116 4.210 4.422 -0.212 1 1 1452 . 8 1 1 A 116 116 VAL C C 116 175.024 174.006 1.018 1 1 1453 . 8 1 1 A 116 116 VAL CA C 116 60.948 58.778 2.170 1 1 1454 . 8 1 1 A 116 116 VAL CB C 116 32.177 34.949 -2.772 1 1 1457 . 8 1 1 A 116 116 VAL N N 116 129.442 121.446 7.996 1 1 1458 . 8 1 1 A 117 117 PRO HA H 117 4.381 4.771 -0.390 1 1 1465 . 8 1 1 A 117 117 PRO C C 117 176.478 177.375 -0.897 1 1 1466 . 8 1 1 A 117 117 PRO CA C 117 62.678 62.348 0.330 1 1 1467 . 8 1 1 A 117 117 PRO CB C 117 31.931 31.695 0.236 1 1 1470 . 8 1 1 A 118 118 GLN H H 118 8.576 8.804 -0.228 1 1 1471 . 8 1 1 A 118 118 GLN HA H 118 4.282 4.490 -0.208 1 1 1478 . 8 1 1 A 118 118 GLN C C 118 176.575 176.083 0.492 1 1 1479 . 8 1 1 A 118 118 GLN CA C 118 55.866 56.003 -0.137 1 1 1480 . 8 1 1 A 118 118 GLN CB C 118 29.704 29.265 0.439 1 1 1482 . 8 1 1 A 118 118 GLN N N 118 118.498 121.782 -3.284 1 1 1484 . 8 1 1 A 119 119 ASN H H 119 8.444 7.897 0.547 1 1 1485 . 8 1 1 A 119 119 ASN HA H 119 4.727 4.965 -0.238 1 1 1490 . 8 1 1 A 119 119 ASN C C 119 174.842 174.370 0.472 1 1 1491 . 8 1 1 A 119 119 ASN CA C 119 52.812 52.548 0.264 1 1 1492 . 8 1 1 A 119 119 ASN CB C 119 37.071 38.951 -1.880 1 1 1493 . 8 1 1 A 119 119 ASN N N 119 117.223 118.663 -1.440 1 1 1495 . 8 1 1 A 120 120 VAL H H 120 7.182 7.407 -0.225 1 1 1496 . 8 1 1 A 120 120 VAL HA H 120 4.381 4.926 -0.545 1 1 1504 . 8 1 1 A 120 120 VAL C C 120 175.484 175.496 -0.012 1 1 1505 . 8 1 1 A 120 120 VAL CA C 120 60.048 59.953 0.095 1 1 1506 . 8 1 1 A 120 120 VAL CB C 120 34.028 34.142 -0.114 1 1 1509 . 8 1 1 A 120 120 VAL N N 120 114.038 117.003 -2.965 1 1 1510 . 8 1 1 A 121 121 SER H H 121 9.313 8.602 0.711 1 1 1511 . 8 1 1 A 121 121 SER HA H 121 4.552 4.550 0.002 1 1 1514 . 8 1 1 A 121 121 SER C C 121 173.096 174.041 -0.945 1 1 1515 . 8 1 1 A 121 121 SER CA C 121 57.119 58.500 -1.381 1 1 1516 . 8 1 1 A 121 121 SER CB C 121 62.528 64.034 -1.506 1 1 1517 . 8 1 1 A 121 121 SER N N 121 122.117 116.702 5.415 1 1 1518 . 8 1 1 A 122 122 LEU H H 122 7.470 7.457 0.013 1 1 1519 . 8 1 1 A 122 122 LEU HA H 122 4.618 4.133 0.485 1 1 1529 . 8 1 1 A 122 122 LEU C C 122 176.526 177.550 -1.024 1 1 1530 . 8 1 1 A 122 122 LEU CA C 122 52.795 55.339 -2.544 1 1 1531 . 8 1 1 A 122 122 LEU CB C 122 45.790 43.299 2.491 1 1 1535 . 8 1 1 A 122 122 LEU N N 122 122.878 123.635 -0.757 1 1 1536 . 8 1 1 A 123 123 LEU H H 123 8.765 8.424 0.341 1 1 1537 . 8 1 1 A 123 123 LEU HA H 123 4.574 4.365 0.209 1 1 1547 . 8 1 1 A 123 123 LEU C C 123 176.769 176.791 -0.022 1 1 1548 . 8 1 1 A 123 123 LEU CA C 123 53.748 53.367 0.381 1 1 1549 . 8 1 1 A 123 123 LEU CB C 123 40.649 41.449 -0.800 1 1 1553 . 8 1 1 A 123 123 LEU N N 123 122.054 123.146 -1.092 1 1 1554 . 8 1 1 A 124 124 PRO HA H 124 4.232 4.488 -0.256 1 1 1561 . 8 1 1 A 124 124 PRO CA C 124 66.281 64.042 2.239 1 1 1562 . 8 1 1 A 124 124 PRO CB C 124 31.945 31.736 0.209 1 1 1565 . 8 1 1 A 125 125 GLY HA2 H 125 3.901 3.895 0.006 1 1 1566 . 8 1 1 A 125 125 GLY HA3 H 125 3.901 3.900 0.001 1 1 1567 . 8 1 1 A 125 125 GLY C C 125 176.696 175.883 0.813 1 1 1568 . 8 1 1 A 125 125 GLY CA C 125 46.724 46.318 0.406 1 1 1569 . 8 1 1 A 126 126 GLN H H 126 7.495 7.873 -0.378 1 1 1570 . 8 1 1 A 126 126 GLN HA H 126 4.261 4.022 0.239 1 1 1577 . 8 1 1 A 126 126 GLN C C 126 178.235 178.343 -0.108 1 1 1578 . 8 1 1 A 126 126 GLN CA C 126 57.807 58.623 -0.816 1 1 1579 . 8 1 1 A 126 126 GLN CB C 126 30.039 28.392 1.647 1 1 1581 . 8 1 1 A 126 126 GLN N N 126 120.404 121.964 -1.560 1 1 1583 . 8 1 1 A 127 127 VAL H H 127 7.839 7.650 0.189 1 1 1584 . 8 1 1 A 127 127 VAL HA H 127 3.360 3.505 -0.145 1 1 1592 . 8 1 1 A 127 127 VAL C C 127 178.441 178.123 0.318 1 1 1593 . 8 1 1 A 127 127 VAL CA C 127 67.231 65.494 1.737 1 1 1594 . 8 1 1 A 127 127 VAL CB C 127 31.948 31.884 0.064 1 1 1597 . 8 1 1 A 127 127 VAL N N 127 121.180 120.323 0.857 1 1 1598 . 8 1 1 A 128 128 ILE H H 128 7.725 8.179 -0.454 1 1 1599 . 8 1 1 A 128 128 ILE HA H 128 3.820 3.504 0.316 1 1 1609 . 8 1 1 A 128 128 ILE C C 128 178.599 177.926 0.673 1 1 1610 . 8 1 1 A 128 128 ILE CA C 128 64.978 65.744 -0.766 1 1 1611 . 8 1 1 A 128 128 ILE CB C 128 37.976 37.835 0.141 1 1 1615 . 8 1 1 A 128 128 ILE N N 128 119.369 121.151 -1.782 1 1 1616 . 8 1 1 A 129 129 LYS H H 129 7.204 7.641 -0.437 1 1 1617 . 8 1 1 A 129 129 LYS HA H 129 4.241 3.873 0.368 1 1 1626 . 8 1 1 A 129 129 LYS C C 129 178.902 179.011 -0.109 1 1 1627 . 8 1 1 A 129 129 LYS CA C 129 58.690 59.275 -0.585 1 1 1628 . 8 1 1 A 129 129 LYS CB C 129 31.725 32.161 -0.436 1 1 1632 . 8 1 1 A 129 129 LYS N N 129 119.356 118.693 0.663 1 1 1633 . 8 1 1 A 130 130 LEU H H 130 7.750 7.703 0.047 1 1 1634 . 8 1 1 A 130 130 LEU HA H 130 3.649 3.616 0.033 1 1 1644 . 8 1 1 A 130 130 LEU C C 130 178.756 179.229 -0.473 1 1 1645 . 8 1 1 A 130 130 LEU CA C 130 57.913 57.549 0.364 1 1 1646 . 8 1 1 A 130 130 LEU CB C 130 40.197 41.089 -0.892 1 1 1650 . 8 1 1 A 130 130 LEU N N 130 118.271 119.475 -1.204 1 1 1651 . 8 1 1 A 131 131 HIS H H 131 7.732 8.093 -0.361 1 1 1652 . 8 1 1 A 131 131 HIS HA H 131 3.918 4.168 -0.250 1 1 1657 . 8 1 1 A 131 131 HIS C C 131 178.392 177.641 0.751 1 1 1658 . 8 1 1 A 131 131 HIS CA C 131 61.019 59.771 1.248 1 1 1659 . 8 1 1 A 131 131 HIS CB C 131 29.951 29.552 0.399 1 1 1662 . 8 1 1 A 131 131 HIS N N 131 117.308 117.255 0.053 1 1 1663 . 8 1 1 A 132 132 GLU H H 132 8.030 8.876 -0.846 1 1 1664 . 8 1 1 A 132 132 GLU HA H 132 4.097 3.914 0.183 1 1 1669 . 8 1 1 A 132 132 GLU C C 132 179.907 179.162 0.745 1 1 1670 . 8 1 1 A 132 132 GLU CA C 132 59.660 59.365 0.295 1 1 1671 . 8 1 1 A 132 132 GLU CB C 132 29.627 29.311 0.316 1 1 1673 . 8 1 1 A 132 132 GLU N N 132 121.443 119.100 2.343 1 1 1674 . 8 1 1 A 133 133 VAL H H 133 8.250 8.986 -0.736 1 1 1675 . 8 1 1 A 133 133 VAL HA H 133 3.352 3.015 0.337 1 1 1683 . 8 1 1 A 133 133 VAL C C 133 176.575 178.078 -1.503 1 1 1684 . 8 1 1 A 133 133 VAL CA C 133 66.367 66.213 0.154 1 1 1685 . 8 1 1 A 133 133 VAL CB C 133 31.203 31.225 -0.022 1 1 1688 . 8 1 1 A 133 133 VAL N N 133 121.281 120.158 1.123 1 1 1689 . 8 1 1 A 134 134 LEU H H 134 8.259 8.033 0.226 1 1 1690 . 8 1 1 A 134 134 LEU HA H 134 3.645 3.842 -0.197 1 1 1700 . 8 1 1 A 134 134 LEU C C 134 177.980 178.312 -0.332 1 1 1701 . 8 1 1 A 134 134 LEU CA C 134 58.154 58.653 -0.499 1 1 1702 . 8 1 1 A 134 134 LEU CB C 134 40.320 41.928 -1.608 1 1 1706 . 8 1 1 A 134 134 LEU N N 134 120.134 120.403 -0.269 1 1 1707 . 8 1 1 A 135 135 GLU H H 135 7.611 8.100 -0.489 1 1 1708 . 8 1 1 A 135 135 GLU HA H 135 3.972 4.042 -0.070 1 1 1713 . 8 1 1 A 135 135 GLU C C 135 179.834 178.574 1.260 1 1 1714 . 8 1 1 A 135 135 GLU CA C 135 59.325 59.132 0.193 1 1 1715 . 8 1 1 A 135 135 GLU CB C 135 29.134 29.189 -0.055 1 1 1717 . 8 1 1 A 135 135 GLU N N 135 116.026 117.755 -1.729 1 1 1718 . 8 1 1 A 136 136 ARG H H 136 7.789 8.619 -0.830 1 1 1719 . 8 1 1 A 136 136 ARG HA H 136 4.140 4.142 -0.002 1 1 1726 . 8 1 1 A 136 136 ARG C C 136 179.083 179.256 -0.173 1 1 1727 . 8 1 1 A 136 136 ARG CA C 136 59.131 59.627 -0.496 1 1 1728 . 8 1 1 A 136 136 ARG CB C 136 30.368 30.116 0.252 1 1 1731 . 8 1 1 A 136 136 ARG N N 136 119.681 119.252 0.429 1 1 1732 . 8 1 1 A 137 137 GLU H H 137 9.238 8.522 0.716 1 1 1733 . 8 1 1 A 137 137 GLU HA H 137 4.637 4.192 0.445 1 1 1738 . 8 1 1 A 137 137 GLU C C 137 178.817 178.797 0.020 1 1 1739 . 8 1 1 A 137 137 GLU CA C 137 58.036 59.294 -1.258 1 1 1740 . 8 1 1 A 137 137 GLU CB C 137 28.147 28.791 -0.644 1 1 1742 . 8 1 1 A 137 137 GLU N N 137 124.333 118.473 5.860 1 1 1743 . 8 1 1 A 138 138 LYS H H 138 8.788 8.560 0.228 1 1 1744 . 8 1 1 A 138 138 LYS HA H 138 3.899 3.986 -0.087 1 1 1753 . 8 1 1 A 138 138 LYS C C 138 179.944 179.511 0.433 1 1 1754 . 8 1 1 A 138 138 LYS CA C 138 60.754 59.596 1.158 1 1 1755 . 8 1 1 A 138 138 LYS CB C 138 32.789 32.201 0.588 1 1 1759 . 8 1 1 A 138 138 LYS N N 138 119.622 119.902 -0.280 1 1 1760 . 8 1 1 A 139 139 LYS H H 139 7.313 7.934 -0.621 1 1 1761 . 8 1 1 A 139 139 LYS HA H 139 4.070 3.926 0.144 1 1 1770 . 8 1 1 A 139 139 LYS C C 139 178.235 179.249 -1.014 1 1 1771 . 8 1 1 A 139 139 LYS CA C 139 59.166 60.249 -1.083 1 1 1772 . 8 1 1 A 139 139 LYS CB C 139 32.424 32.405 0.019 1 1 1776 . 8 1 1 A 139 139 LYS N N 139 117.326 119.534 -2.208 1 1 1777 . 8 1 1 A 140 140 ARG H H 140 8.344 8.115 0.229 1 1 1778 . 8 1 1 A 140 140 ARG HA H 140 4.080 4.142 -0.062 1 1 1786 . 8 1 1 A 140 140 ARG C C 140 179.531 178.934 0.597 1 1 1787 . 8 1 1 A 140 140 ARG CA C 140 59.184 59.069 0.115 1 1 1788 . 8 1 1 A 140 140 ARG CB C 140 31.190 29.674 1.516 1 1 1791 . 8 1 1 A 140 140 ARG N N 140 121.404 119.460 1.944 1 1 1793 . 8 1 1 A 141 141 ARG H H 141 8.171 8.357 -0.186 1 1 1794 . 8 1 1 A 141 141 ARG HA H 141 4.034 4.151 -0.117 1 1 1802 . 8 1 1 A 141 141 ARG C C 141 178.671 178.857 -0.186 1 1 1803 . 8 1 1 A 141 141 ARG CA C 141 58.337 58.291 0.046 1 1 1804 . 8 1 1 A 141 141 ARG CB C 141 30.327 30.216 0.111 1 1 1807 . 8 1 1 A 141 141 ARG N N 141 115.667 118.258 -2.591 1 1 1809 . 8 1 1 A 142 142 ILE H H 142 7.521 7.718 -0.197 1 1 1810 . 8 1 1 A 142 142 ILE HA H 142 4.074 3.597 0.477 1 1 1820 . 8 1 1 A 142 142 ILE C C 142 177.787 177.508 0.279 1 1 1821 . 8 1 1 A 142 142 ILE CA C 142 63.178 65.151 -1.973 1 1 1822 . 8 1 1 A 142 142 ILE CB C 142 38.346 37.591 0.755 1 1 1826 . 8 1 1 A 142 142 ILE N N 142 118.031 120.543 -2.512 1 1 1827 . 8 1 1 A 143 143 GLU H H 143 8.041 8.571 -0.530 1 1 1828 . 8 1 1 A 143 143 GLU HA H 143 4.251 4.095 0.156 1 1 1833 . 8 1 1 A 143 143 GLU C C 143 177.217 177.481 -0.264 1 1 1834 . 8 1 1 A 143 143 GLU CA C 143 57.595 59.466 -1.871 1 1 1835 . 8 1 1 A 143 143 GLU CB C 143 29.998 29.519 0.479 1 1 1837 . 8 1 1 A 143 143 GLU N N 143 120.963 120.149 0.814 1 1 1838 . 8 1 1 A 144 144 SER H H 144 8.041 8.118 -0.077 1 1 1839 . 8 1 1 A 144 144 SER HA H 144 4.538 4.446 0.092 1 1 1842 . 8 1 1 A 144 144 SER C C 144 174.721 174.636 0.085 1 1 1843 . 8 1 1 A 144 144 SER CA C 144 58.801 59.517 -0.716 1 1 1844 . 8 1 1 A 144 144 SER CB C 144 64.126 63.331 0.795 1 1 1845 . 8 1 1 A 144 144 SER N N 144 114.646 115.120 -0.474 1 1 1846 . 8 1 1 A 145 145 GLY H H 145 7.982 8.889 -0.907 1 1 1847 . 8 1 1 A 145 145 GLY HA2 H 145 4.102 4.088 0.014 1 1 1848 . 8 1 1 A 145 145 GLY HA3 H 145 4.231 4.090 0.141 1 1 1849 . 8 1 1 A 145 145 GLY C C 145 171.800 172.804 -1.004 1 1 1850 . 8 1 1 A 145 145 GLY CA C 145 44.854 44.160 0.694 1 1 1851 . 8 1 1 A 145 145 GLY N N 145 110.299 113.217 -2.918 1 1 1852 . 8 1 1 A 146 146 PRO HA H 146 4.510 4.616 -0.106 1 1 1859 . 8 1 1 A 146 146 PRO C C 146 177.496 176.287 1.209 1 1 1860 . 8 1 1 A 146 146 PRO CA C 146 63.313 62.632 0.681 1 1 1861 . 8 1 1 A 146 146 PRO CB C 146 32.177 33.220 -1.043 1 1 1864 . 8 1 1 A 147 147 SER H H 147 8.530 8.724 -0.194 1 1 1865 . 8 1 1 A 147 147 SER C C 147 174.721 174.354 0.367 1 1 1866 . 8 1 1 A 147 147 SER CA C 147 58.390 59.559 -1.169 1 1 1867 . 8 1 1 A 147 147 SER CB C 147 63.803 64.980 -1.177 1 1 1868 . 8 1 1 A 147 147 SER N N 147 116.436 116.498 -0.062 1 1 1869 . 8 1 1 A 148 148 SER H H 148 8.348 8.299 0.049 1 1 1870 . 8 1 1 A 148 148 SER C C 148 173.957 173.621 0.336 1 1 1871 . 8 1 1 A 148 148 SER CA C 148 58.372 59.185 -0.813 1 1 1872 . 8 1 1 A 148 148 SER CB C 148 64.008 61.862 2.146 1 1 1 . 9 1 1 A 8 8 GLN HA H 8 4.221 4.616 -0.395 1 1 8 . 9 1 1 A 8 8 GLN CA C 8 56.851 54.591 2.260 1 1 9 . 9 1 1 A 8 8 GLN CB C 8 28.887 29.937 -1.050 1 1 12 . 9 1 1 A 9 9 GLU H H 9 8.480 8.348 0.132 1 1 13 . 9 1 1 A 9 9 GLU HA H 9 4.166 4.025 0.141 1 1 18 . 9 1 1 A 9 9 GLU CA C 9 58.333 57.167 1.166 1 1 19 . 9 1 1 A 9 9 GLU CB C 9 29.545 27.122 2.423 1 1 21 . 9 1 1 A 9 9 GLU N N 9 121.149 118.208 2.941 1 1 22 . 9 1 1 A 10 10 ARG H H 10 8.336 8.124 0.212 1 1 23 . 9 1 1 A 10 10 ARG HA H 10 4.131 4.688 -0.557 1 1 30 . 9 1 1 A 10 10 ARG C C 10 177.350 175.424 1.926 1 1 31 . 9 1 1 A 10 10 ARG CA C 10 57.731 55.357 2.374 1 1 32 . 9 1 1 A 10 10 ARG CB C 10 30.061 30.807 -0.746 1 1 35 . 9 1 1 A 10 10 ARG N N 10 120.177 120.548 -0.371 1 1 36 . 9 1 1 A 11 11 LEU H H 11 7.741 9.025 -1.284 1 1 37 . 9 1 1 A 11 11 LEU HA H 11 4.219 5.305 -1.086 1 1 44 . 9 1 1 A 11 11 LEU CA C 11 56.781 52.449 4.332 1 1 45 . 9 1 1 A 11 11 LEU CB C 11 41.875 46.140 -4.265 1 1 49 . 9 1 1 A 11 11 LEU N N 11 120.410 120.489 -0.079 1 1 50 . 9 1 1 A 12 12 LYS H H 12 7.816 8.629 -0.813 1 1 51 . 9 1 1 A 12 12 LYS HA H 12 4.091 4.905 -0.814 1 1 60 . 9 1 1 A 12 12 LYS CA C 12 58.234 55.486 2.748 1 1 61 . 9 1 1 A 12 12 LYS CB C 12 32.530 34.276 -1.746 1 1 65 . 9 1 1 A 12 12 LYS N N 12 119.365 119.138 0.227 1 1 66 . 9 1 1 A 13 13 ILE H H 13 7.851 8.813 -0.962 1 1 67 . 9 1 1 A 13 13 ILE HA H 13 3.951 4.875 -0.924 1 1 77 . 9 1 1 A 13 13 ILE C C 13 176.914 175.471 1.443 1 1 78 . 9 1 1 A 13 13 ILE CA C 13 62.713 60.201 2.512 1 1 79 . 9 1 1 A 13 13 ILE CB C 13 38.264 40.196 -1.932 1 1 83 . 9 1 1 A 14 14 THR H H 14 7.750 8.842 -1.092 1 1 84 . 9 1 1 A 14 14 THR HA H 14 4.021 4.501 -0.480 1 1 88 . 9 1 1 A 14 14 THR C C 14 174.818 175.856 -1.038 1 1 89 . 9 1 1 A 14 14 THR CA C 14 63.172 63.203 -0.031 1 1 90 . 9 1 1 A 14 14 THR CB C 14 68.985 71.575 -2.590 1 1 92 . 9 1 1 A 14 14 THR N N 14 110.999 121.110 -10.111 1 1 93 . 9 1 1 A 15 15 ALA H H 15 7.922 8.170 -0.248 1 1 94 . 9 1 1 A 15 15 ALA HA H 15 4.141 4.085 0.056 1 1 98 . 9 1 1 A 15 15 ALA C C 15 177.593 179.039 -1.446 1 1 99 . 9 1 1 A 15 15 ALA CA C 15 53.007 55.270 -2.263 1 1 100 . 9 1 1 A 15 15 ALA CB C 15 18.747 18.677 0.070 1 1 101 . 9 1 1 A 15 15 ALA N N 15 122.429 122.544 -0.115 1 1 102 . 9 1 1 A 16 16 LEU H H 16 7.442 7.743 -0.301 1 1 103 . 9 1 1 A 16 16 LEU HA H 16 4.653 4.291 0.362 1 1 112 . 9 1 1 A 16 16 LEU C C 16 173.182 174.824 -1.642 1 1 113 . 9 1 1 A 16 16 LEU CA C 16 51.524 53.437 -1.913 1 1 114 . 9 1 1 A 16 16 LEU CB C 16 45.831 42.775 3.056 1 1 118 . 9 1 1 A 16 16 LEU N N 16 120.226 118.124 2.102 1 1 119 . 9 1 1 A 17 17 PRO HA H 17 4.140 4.609 -0.469 1 1 126 . 9 1 1 A 17 17 PRO C C 17 174.296 176.236 -1.940 1 1 127 . 9 1 1 A 17 17 PRO CA C 17 62.007 62.284 -0.277 1 1 128 . 9 1 1 A 17 17 PRO CB C 17 32.013 31.853 0.160 1 1 131 . 9 1 1 A 18 18 LEU H H 18 8.071 8.122 -0.051 1 1 132 . 9 1 1 A 18 18 LEU HA H 18 4.097 4.122 -0.025 1 1 142 . 9 1 1 A 18 18 LEU C C 18 176.974 175.707 1.267 1 1 143 . 9 1 1 A 18 18 LEU CA C 18 55.043 55.797 -0.754 1 1 144 . 9 1 1 A 18 18 LEU CB C 18 42.376 42.456 -0.080 1 1 148 . 9 1 1 A 18 18 LEU N N 18 119.963 123.970 -4.007 1 1 149 . 9 1 1 A 19 19 TYR H H 19 9.108 8.772 0.336 1 1 150 . 9 1 1 A 19 19 TYR HA H 19 5.121 4.901 0.220 1 1 157 . 9 1 1 A 19 19 TYR C C 19 174.515 175.623 -1.108 1 1 158 . 9 1 1 A 19 19 TYR CA C 19 55.160 59.115 -3.955 1 1 159 . 9 1 1 A 19 19 TYR CB C 19 39.292 41.137 -1.845 1 1 164 . 9 1 1 A 19 19 TYR N N 19 127.955 123.643 4.312 1 1 165 . 9 1 1 A 20 20 PHE H H 20 7.560 7.513 0.047 1 1 166 . 9 1 1 A 20 20 PHE HA H 20 4.281 4.394 -0.113 1 1 174 . 9 1 1 A 20 20 PHE C C 20 171.170 172.810 -1.640 1 1 175 . 9 1 1 A 20 20 PHE CA C 20 57.031 57.675 -0.644 1 1 176 . 9 1 1 A 20 20 PHE CB C 20 40.937 41.411 -0.474 1 1 182 . 9 1 1 A 20 20 PHE N N 20 115.328 116.515 -1.187 1 1 183 . 9 1 1 A 21 21 GLU H H 21 5.556 7.942 -2.386 1 1 184 . 9 1 1 A 21 21 GLU HA H 21 5.191 4.913 0.278 1 1 189 . 9 1 1 A 21 21 GLU C C 21 173.024 174.209 -1.185 1 1 190 . 9 1 1 A 21 21 GLU CA C 21 53.025 54.409 -1.384 1 1 191 . 9 1 1 A 21 21 GLU CB C 21 31.760 33.115 -1.355 1 1 193 . 9 1 1 A 21 21 GLU N N 21 118.643 122.121 -3.478 1 1 194 . 9 1 1 A 22 22 GLY H H 22 7.721 7.761 -0.040 1 1 195 . 9 1 1 A 22 22 GLY HA2 H 22 4.024 3.817 0.207 1 1 196 . 9 1 1 A 22 22 GLY HA3 H 22 3.107 4.011 -0.904 1 1 197 . 9 1 1 A 22 22 GLY C C 22 171.994 171.879 0.115 1 1 198 . 9 1 1 A 22 22 GLY CA C 22 45.013 45.535 -0.522 1 1 199 . 9 1 1 A 22 22 GLY N N 22 106.155 106.603 -0.448 1 1 200 . 9 1 1 A 23 23 PHE H H 23 8.881 8.552 0.329 1 1 201 . 9 1 1 A 23 23 PHE HA H 23 5.303 4.479 0.824 1 1 209 . 9 1 1 A 23 23 PHE C C 23 176.926 175.067 1.859 1 1 210 . 9 1 1 A 23 23 PHE CA C 23 60.013 59.808 0.205 1 1 211 . 9 1 1 A 23 23 PHE CB C 23 40.937 39.410 1.527 1 1 217 . 9 1 1 A 23 23 PHE N N 23 119.442 120.982 -1.540 1 1 218 . 9 1 1 A 24 24 LEU H H 24 9.072 8.852 0.220 1 1 219 . 9 1 1 A 24 24 LEU HA H 24 4.562 5.096 -0.534 1 1 229 . 9 1 1 A 24 24 LEU C C 24 174.406 174.549 -0.143 1 1 230 . 9 1 1 A 24 24 LEU CA C 24 54.437 53.603 0.834 1 1 231 . 9 1 1 A 24 24 LEU CB C 24 48.381 45.212 3.169 1 1 235 . 9 1 1 A 24 24 LEU N N 24 122.488 125.990 -3.502 1 1 236 . 9 1 1 A 25 25 LEU H H 25 8.120 8.412 -0.292 1 1 237 . 9 1 1 A 25 25 LEU HA H 25 5.480 5.483 -0.003 1 1 247 . 9 1 1 A 25 25 LEU C C 25 176.175 175.987 0.188 1 1 248 . 9 1 1 A 25 25 LEU CA C 25 54.242 53.235 1.007 1 1 249 . 9 1 1 A 25 25 LEU CB C 25 42.576 42.725 -0.149 1 1 253 . 9 1 1 A 25 25 LEU N N 25 120.790 126.051 -5.261 1 1 254 . 9 1 1 A 26 26 ILE H H 26 9.110 8.500 0.610 1 1 255 . 9 1 1 A 26 26 ILE HA H 26 5.232 4.614 0.618 1 1 265 . 9 1 1 A 26 26 ILE C C 26 174.757 173.792 0.965 1 1 266 . 9 1 1 A 26 26 ILE CA C 26 57.613 59.798 -2.185 1 1 267 . 9 1 1 A 26 26 ILE CB C 26 41.343 39.704 1.639 1 1 271 . 9 1 1 A 26 26 ILE N N 26 120.679 124.579 -3.900 1 1 272 . 9 1 1 A 27 27 LYS H H 27 9.150 8.768 0.382 1 1 273 . 9 1 1 A 27 27 LYS HA H 27 4.425 4.491 -0.066 1 1 282 . 9 1 1 A 27 27 LYS C C 27 175.557 174.572 0.985 1 1 283 . 9 1 1 A 27 27 LYS CA C 27 56.095 54.286 1.809 1 1 284 . 9 1 1 A 27 27 LYS CB C 27 35.056 34.542 0.514 1 1 288 . 9 1 1 A 27 27 LYS N N 27 127.778 128.618 -0.840 1 1 289 . 9 1 1 A 28 28 ARG H H 28 5.868 8.547 -2.679 1 1 290 . 9 1 1 A 28 28 ARG HA H 28 4.429 4.759 -0.330 1 1 298 . 9 1 1 A 28 28 ARG C C 28 176.078 176.284 -0.206 1 1 299 . 9 1 1 A 28 28 ARG CA C 28 54.542 53.902 0.640 1 1 300 . 9 1 1 A 28 28 ARG CB C 28 31.602 33.887 -2.285 1 1 303 . 9 1 1 A 28 28 ARG N N 28 124.548 125.478 -0.930 1 1 305 . 9 1 1 A 29 29 SER H H 29 9.067 8.640 0.427 1 1 306 . 9 1 1 A 29 29 SER HA H 29 4.181 4.578 -0.397 1 1 309 . 9 1 1 A 29 29 SER C C 29 176.066 174.835 1.231 1 1 310 . 9 1 1 A 29 29 SER CA C 29 61.019 58.191 2.828 1 1 311 . 9 1 1 A 29 29 SER CB C 29 63.057 61.417 1.640 1 1 312 . 9 1 1 A 29 29 SER N N 29 116.823 117.814 -0.991 1 1 313 . 9 1 1 A 30 30 GLY HA2 H 30 3.810 4.018 -0.208 1 1 314 . 9 1 1 A 30 30 GLY HA3 H 30 4.172 4.031 0.141 1 1 315 . 9 1 1 A 30 30 GLY CA C 30 45.171 45.349 -0.178 1 1 316 . 9 1 1 A 31 31 TYR H H 31 8.001 8.288 -0.287 1 1 317 . 9 1 1 A 31 31 TYR HA H 31 4.729 4.685 0.044 1 1 324 . 9 1 1 A 31 31 TYR CB C 31 37.249 40.598 -3.349 1 1 329 . 9 1 1 A 31 31 TYR N N 31 121.120 118.546 2.574 1 1 330 . 9 1 1 A 32 32 ARG HA H 32 4.204 4.075 0.129 1 1 337 . 9 1 1 A 32 32 ARG C C 32 176.066 174.784 1.282 1 1 338 . 9 1 1 A 32 32 ARG CA C 32 57.631 57.786 -0.155 1 1 339 . 9 1 1 A 32 32 ARG CB C 32 30.861 29.593 1.268 1 1 342 . 9 1 1 A 33 33 GLU H H 33 7.700 7.892 -0.192 1 1 343 . 9 1 1 A 33 33 GLU HA H 33 4.600 4.731 -0.131 1 1 348 . 9 1 1 A 33 33 GLU C C 33 175.569 174.658 0.911 1 1 349 . 9 1 1 A 33 33 GLU CA C 33 53.695 54.690 -0.995 1 1 350 . 9 1 1 A 33 33 GLU CB C 33 33.000 32.993 0.007 1 1 352 . 9 1 1 A 33 33 GLU N N 33 115.988 113.758 2.230 1 1 353 . 9 1 1 A 34 34 TYR H H 34 8.755 8.556 0.199 1 1 354 . 9 1 1 A 34 34 TYR HA H 34 4.311 4.317 -0.006 1 1 361 . 9 1 1 A 34 34 TYR C C 34 176.999 175.927 1.072 1 1 362 . 9 1 1 A 34 34 TYR CA C 34 59.537 59.633 -0.096 1 1 363 . 9 1 1 A 34 34 TYR CB C 34 39.744 38.880 0.864 1 1 368 . 9 1 1 A 34 34 TYR N N 34 118.663 122.721 -4.058 1 1 369 . 9 1 1 A 35 35 GLU H H 35 9.024 8.162 0.862 1 1 370 . 9 1 1 A 35 35 GLU HA H 35 4.401 4.798 -0.397 1 1 375 . 9 1 1 A 35 35 GLU C C 35 174.406 175.479 -1.073 1 1 376 . 9 1 1 A 35 35 GLU CA C 35 54.330 55.068 -0.738 1 1 377 . 9 1 1 A 35 35 GLU CB C 35 31.972 32.531 -0.559 1 1 379 . 9 1 1 A 35 35 GLU N N 35 122.488 123.517 -1.029 1 1 380 . 9 1 1 A 36 36 HIS H H 36 8.639 8.882 -0.243 1 1 381 . 9 1 1 A 36 36 HIS HA H 36 4.980 5.121 -0.141 1 1 386 . 9 1 1 A 36 36 HIS C C 36 174.127 174.320 -0.193 1 1 387 . 9 1 1 A 36 36 HIS CA C 36 55.607 54.669 0.938 1 1 388 . 9 1 1 A 36 36 HIS CB C 36 31.396 30.445 0.951 1 1 391 . 9 1 1 A 36 36 HIS N N 36 123.767 120.603 3.164 1 1 392 . 9 1 1 A 37 37 TYR H H 37 8.931 9.133 -0.202 1 1 393 . 9 1 1 A 37 37 TYR HA H 37 5.668 5.085 0.583 1 1 400 . 9 1 1 A 37 37 TYR C C 37 177.969 174.989 2.980 1 1 401 . 9 1 1 A 37 37 TYR CA C 37 55.407 56.791 -1.384 1 1 402 . 9 1 1 A 37 37 TYR CB C 37 42.089 42.310 -0.221 1 1 407 . 9 1 1 A 37 37 TYR N N 37 124.075 122.589 1.486 1 1 408 . 9 1 1 A 38 38 TRP H H 38 8.931 9.830 -0.899 1 1 409 . 9 1 1 A 38 38 TRP HA H 38 4.329 4.894 -0.565 1 1 418 . 9 1 1 A 38 38 TRP C C 38 174.345 175.508 -1.163 1 1 419 . 9 1 1 A 38 38 TRP CA C 38 58.230 56.776 1.454 1 1 420 . 9 1 1 A 38 38 TRP CB C 38 28.846 29.231 -0.385 1 1 426 . 9 1 1 A 38 38 TRP N N 38 125.317 126.673 -1.356 1 1 428 . 9 1 1 A 39 39 THR H H 39 8.366 8.616 -0.250 1 1 429 . 9 1 1 A 39 39 THR HA H 39 5.535 5.158 0.377 1 1 434 . 9 1 1 A 39 39 THR C C 39 173.303 173.823 -0.520 1 1 435 . 9 1 1 A 39 39 THR CA C 39 62.037 62.111 -0.074 1 1 436 . 9 1 1 A 39 39 THR CB C 39 70.295 70.515 -0.220 1 1 438 . 9 1 1 A 39 39 THR N N 39 127.024 122.810 4.214 1 1 439 . 9 1 1 A 40 40 GLU H H 40 8.902 9.318 -0.416 1 1 440 . 9 1 1 A 40 40 GLU HA H 40 4.816 5.007 -0.191 1 1 445 . 9 1 1 A 40 40 GLU C C 40 175.351 174.800 0.551 1 1 446 . 9 1 1 A 40 40 GLU CA C 40 53.607 54.908 -1.301 1 1 447 . 9 1 1 A 40 40 GLU CB C 40 34.639 33.095 1.544 1 1 449 . 9 1 1 A 40 40 GLU N N 40 120.613 123.997 -3.384 1 1 450 . 9 1 1 A 41 41 LEU H H 41 8.910 9.260 -0.350 1 1 451 . 9 1 1 A 41 41 LEU HA H 41 5.168 5.194 -0.026 1 1 461 . 9 1 1 A 41 41 LEU C C 41 174.806 175.413 -0.607 1 1 462 . 9 1 1 A 41 41 LEU CA C 41 53.872 54.624 -0.752 1 1 463 . 9 1 1 A 41 41 LEU CB C 41 43.610 43.641 -0.031 1 1 467 . 9 1 1 A 41 41 LEU N N 41 123.682 127.469 -3.787 1 1 468 . 9 1 1 A 42 42 ARG H H 42 9.150 8.804 0.346 1 1 469 . 9 1 1 A 42 42 ARG HA H 42 5.182 4.412 0.770 1 1 474 . 9 1 1 A 42 42 ARG C C 42 176.272 176.405 -0.133 1 1 475 . 9 1 1 A 42 42 ARG CA C 42 53.643 54.921 -1.278 1 1 476 . 9 1 1 A 42 42 ARG CB C 42 33.205 33.461 -0.256 1 1 479 . 9 1 1 A 42 42 ARG N N 42 127.645 125.254 2.391 1 1 480 . 9 1 1 A 43 43 GLY H H 43 6.304 7.999 -1.695 1 1 481 . 9 1 1 A 43 43 GLY HA2 H 43 3.917 3.930 -0.013 1 1 482 . 9 1 1 A 43 43 GLY HA3 H 43 3.812 4.102 -0.290 1 1 483 . 9 1 1 A 43 43 GLY C C 43 171.630 174.696 -3.066 1 1 484 . 9 1 1 A 43 43 GLY CA C 43 47.025 47.565 -0.540 1 1 485 . 9 1 1 A 43 43 GLY N N 43 112.565 113.424 -0.859 1 1 486 . 9 1 1 A 44 44 THR H H 44 7.841 8.110 -0.269 1 1 487 . 9 1 1 A 44 44 THR HA H 44 4.313 4.756 -0.443 1 1 492 . 9 1 1 A 44 44 THR C C 44 172.515 173.594 -1.079 1 1 493 . 9 1 1 A 44 44 THR CA C 44 60.207 60.590 -0.383 1 1 494 . 9 1 1 A 44 44 THR CB C 44 68.320 69.176 -0.856 1 1 496 . 9 1 1 A 44 44 THR N N 44 111.769 117.314 -5.545 1 1 497 . 9 1 1 A 45 45 THR H H 45 8.500 8.029 0.471 1 1 498 . 9 1 1 A 45 45 THR HA H 45 4.664 4.895 -0.231 1 1 503 . 9 1 1 A 45 45 THR C C 45 172.224 173.443 -1.219 1 1 504 . 9 1 1 A 45 45 THR CA C 45 62.413 61.599 0.814 1 1 505 . 9 1 1 A 45 45 THR CB C 45 69.848 71.360 -1.512 1 1 507 . 9 1 1 A 45 45 THR N N 45 118.681 116.978 1.703 1 1 508 . 9 1 1 A 46 46 LEU H H 46 8.391 8.795 -0.404 1 1 509 . 9 1 1 A 46 46 LEU HA H 46 4.892 4.410 0.482 1 1 519 . 9 1 1 A 46 46 LEU C C 46 174.260 175.738 -1.478 1 1 520 . 9 1 1 A 46 46 LEU CA C 46 52.654 54.834 -2.180 1 1 521 . 9 1 1 A 46 46 LEU CB C 46 42.911 42.215 0.696 1 1 525 . 9 1 1 A 46 46 LEU N N 46 125.559 128.148 -2.589 1 1 526 . 9 1 1 A 47 47 PHE H H 47 9.131 9.050 0.081 1 1 527 . 9 1 1 A 47 47 PHE HA H 47 3.940 4.620 -0.680 1 1 535 . 9 1 1 A 47 47 PHE C C 47 173.363 174.195 -0.832 1 1 536 . 9 1 1 A 47 47 PHE CA C 47 57.454 55.949 1.505 1 1 537 . 9 1 1 A 47 47 PHE CB C 47 42.747 41.210 1.537 1 1 543 . 9 1 1 A 47 47 PHE N N 47 121.095 122.663 -1.568 1 1 544 . 9 1 1 A 48 48 PHE H H 48 7.881 9.026 -1.145 1 1 545 . 9 1 1 A 48 48 PHE HA H 48 5.021 5.506 -0.485 1 1 553 . 9 1 1 A 48 48 PHE C C 48 173.727 174.237 -0.510 1 1 554 . 9 1 1 A 48 48 PHE CA C 48 56.166 54.638 1.528 1 1 555 . 9 1 1 A 48 48 PHE CB C 48 39.169 41.262 -2.093 1 1 561 . 9 1 1 A 48 48 PHE N N 48 120.063 122.519 -2.456 1 1 562 . 9 1 1 A 49 49 TYR H H 49 9.972 9.303 0.669 1 1 563 . 9 1 1 A 49 49 TYR HA H 49 5.190 5.187 0.003 1 1 570 . 9 1 1 A 49 49 TYR C C 49 176.587 176.532 0.055 1 1 571 . 9 1 1 A 49 49 TYR CA C 49 56.254 56.833 -0.579 1 1 572 . 9 1 1 A 49 49 TYR CB C 49 41.842 41.743 0.099 1 1 577 . 9 1 1 A 49 49 TYR N N 49 121.415 121.156 0.259 1 1 578 . 9 1 1 A 50 50 THR H H 50 9.511 8.902 0.609 1 1 579 . 9 1 1 A 50 50 THR HA H 50 4.571 4.555 0.016 1 1 584 . 9 1 1 A 50 50 THR C C 50 174.793 174.251 0.542 1 1 585 . 9 1 1 A 50 50 THR CA C 50 65.361 64.081 1.280 1 1 586 . 9 1 1 A 50 50 THR CB C 50 69.043 69.217 -0.174 1 1 588 . 9 1 1 A 50 50 THR N N 50 114.446 117.799 -3.353 1 1 589 . 9 1 1 A 51 51 ASP H H 51 7.828 8.055 -0.227 1 1 590 . 9 1 1 A 51 51 ASP HA H 51 4.803 5.191 -0.388 1 1 593 . 9 1 1 A 51 51 ASP C C 51 174.685 176.112 -1.427 1 1 594 . 9 1 1 A 51 51 ASP CA C 51 53.254 53.262 -0.008 1 1 595 . 9 1 1 A 51 51 ASP CB C 51 43.586 44.852 -1.266 1 1 596 . 9 1 1 A 51 51 ASP N N 51 115.656 120.118 -4.462 1 1 597 . 9 1 1 A 52 52 LYS H H 52 8.271 8.678 -0.407 1 1 598 . 9 1 1 A 52 52 LYS HA H 52 2.800 3.639 -0.839 1 1 607 . 9 1 1 A 52 52 LYS C C 52 176.671 178.167 -1.496 1 1 608 . 9 1 1 A 52 52 LYS CA C 52 58.372 59.137 -0.765 1 1 609 . 9 1 1 A 52 52 LYS CB C 52 32.178 31.552 0.626 1 1 613 . 9 1 1 A 52 52 LYS N N 52 119.009 121.260 -2.251 1 1 614 . 9 1 1 A 53 53 LYS H H 53 8.068 7.773 0.295 1 1 615 . 9 1 1 A 53 53 LYS HA H 53 4.109 4.025 0.084 1 1 624 . 9 1 1 A 53 53 LYS C C 53 176.950 177.768 -0.818 1 1 625 . 9 1 1 A 53 53 LYS CA C 53 55.830 59.175 -3.345 1 1 626 . 9 1 1 A 53 53 LYS CB C 53 32.301 31.911 0.390 1 1 630 . 9 1 1 A 53 53 LYS N N 53 116.395 118.856 -2.461 1 1 631 . 9 1 1 A 54 54 SER H H 54 7.549 7.719 -0.170 1 1 632 . 9 1 1 A 54 54 SER HA H 54 4.316 4.352 -0.036 1 1 635 . 9 1 1 A 54 54 SER C C 54 174.394 173.957 0.437 1 1 636 . 9 1 1 A 54 54 SER CA C 54 59.395 60.597 -1.202 1 1 637 . 9 1 1 A 54 54 SER CB C 54 64.337 63.791 0.546 1 1 638 . 9 1 1 A 54 54 SER N N 54 116.653 114.737 1.916 1 1 639 . 9 1 1 A 55 55 ILE H H 55 8.424 9.035 -0.611 1 1 640 . 9 1 1 A 55 55 ILE HA H 55 4.267 4.214 0.053 1 1 650 . 9 1 1 A 55 55 ILE C C 55 174.999 176.345 -1.346 1 1 651 . 9 1 1 A 55 55 ILE CA C 55 62.213 62.881 -0.668 1 1 652 . 9 1 1 A 55 55 ILE CB C 55 38.728 38.878 -0.150 1 1 656 . 9 1 1 A 55 55 ILE N N 55 118.660 126.198 -7.538 1 1 657 . 9 1 1 A 56 56 ILE H H 56 7.771 7.713 0.058 1 1 658 . 9 1 1 A 56 56 ILE HA H 56 4.561 4.263 0.298 1 1 668 . 9 1 1 A 56 56 ILE C C 56 175.266 175.909 -0.643 1 1 669 . 9 1 1 A 56 56 ILE CA C 56 59.342 61.479 -2.137 1 1 670 . 9 1 1 A 56 56 ILE CB C 56 39.506 38.803 0.703 1 1 674 . 9 1 1 A 56 56 ILE N N 56 119.568 120.144 -0.576 1 1 675 . 9 1 1 A 57 57 TYR H H 57 7.251 8.708 -1.457 1 1 676 . 9 1 1 A 57 57 TYR HA H 57 4.261 4.208 0.053 1 1 683 . 9 1 1 A 57 57 TYR C C 57 174.902 176.275 -1.373 1 1 684 . 9 1 1 A 57 57 TYR CA C 57 56.201 56.868 -0.667 1 1 685 . 9 1 1 A 57 57 TYR CB C 57 37.230 39.202 -1.972 1 1 690 . 9 1 1 A 58 58 VAL H H 58 9.157 8.189 0.968 1 1 691 . 9 1 1 A 58 58 VAL HA H 58 4.251 3.780 0.471 1 1 699 . 9 1 1 A 58 58 VAL C C 58 175.812 174.852 0.960 1 1 700 . 9 1 1 A 58 58 VAL CA C 58 62.360 65.149 -2.789 1 1 701 . 9 1 1 A 58 58 VAL CB C 58 33.123 32.059 1.064 1 1 704 . 9 1 1 A 58 58 VAL N N 58 116.888 120.894 -4.006 1 1 705 . 9 1 1 A 59 59 ASP H H 59 7.990 7.458 0.532 1 1 706 . 9 1 1 A 59 59 ASP HA H 59 4.970 5.276 -0.306 1 1 709 . 9 1 1 A 59 59 ASP C C 59 172.346 174.176 -1.830 1 1 710 . 9 1 1 A 59 59 ASP CA C 59 52.601 53.409 -0.808 1 1 711 . 9 1 1 A 59 59 ASP CB C 59 42.952 44.817 -1.865 1 1 712 . 9 1 1 A 59 59 ASP N N 59 117.301 119.371 -2.070 1 1 713 . 9 1 1 A 60 60 LYS H H 60 8.991 8.805 0.186 1 1 714 . 9 1 1 A 60 60 LYS HA H 60 4.761 4.809 -0.048 1 1 723 . 9 1 1 A 60 60 LYS C C 60 173.666 174.868 -1.202 1 1 724 . 9 1 1 A 60 60 LYS CA C 60 54.718 53.737 0.981 1 1 725 . 9 1 1 A 60 60 LYS CB C 60 35.097 35.815 -0.718 1 1 729 . 9 1 1 A 60 60 LYS N N 60 118.648 117.723 0.925 1 1 730 . 9 1 1 A 61 61 LEU H H 61 8.702 8.844 -0.142 1 1 731 . 9 1 1 A 61 61 LEU HA H 61 4.462 4.992 -0.530 1 1 741 . 9 1 1 A 61 61 LEU C C 61 173.630 175.186 -1.556 1 1 742 . 9 1 1 A 61 61 LEU CA C 61 54.065 53.340 0.725 1 1 743 . 9 1 1 A 61 61 LEU CB C 61 47.032 46.611 0.421 1 1 747 . 9 1 1 A 61 61 LEU N N 61 121.890 121.289 0.601 1 1 748 . 9 1 1 A 62 62 ASP H H 62 8.868 8.655 0.213 1 1 749 . 9 1 1 A 62 62 ASP HA H 62 4.841 5.169 -0.328 1 1 752 . 9 1 1 A 62 62 ASP C C 62 178.029 174.712 3.317 1 1 753 . 9 1 1 A 62 62 ASP CA C 62 53.819 52.856 0.963 1 1 754 . 9 1 1 A 62 62 ASP CB C 62 40.772 44.264 -3.492 1 1 755 . 9 1 1 A 62 62 ASP N N 62 128.697 120.262 8.435 1 1 756 . 9 1 1 A 63 63 ILE H H 63 9.261 8.496 0.765 1 1 757 . 9 1 1 A 63 63 ILE HA H 63 4.554 4.623 -0.069 1 1 767 . 9 1 1 A 63 63 ILE C C 63 175.617 176.949 -1.332 1 1 768 . 9 1 1 A 63 63 ILE CA C 63 60.736 60.218 0.518 1 1 769 . 9 1 1 A 63 63 ILE CB C 63 38.364 37.822 0.542 1 1 773 . 9 1 1 A 63 63 ILE N N 63 120.253 120.768 -0.515 1 1 774 . 9 1 1 A 64 64 VAL H H 64 8.010 7.639 0.371 1 1 775 . 9 1 1 A 64 64 VAL HA H 64 3.781 3.861 -0.080 1 1 783 . 9 1 1 A 64 64 VAL C C 64 174.878 177.067 -2.189 1 1 784 . 9 1 1 A 64 64 VAL CA C 64 65.572 64.797 0.775 1 1 785 . 9 1 1 A 64 64 VAL CB C 64 30.532 31.822 -1.290 1 1 788 . 9 1 1 A 64 64 VAL N N 64 122.413 122.648 -0.235 1 1 789 . 9 1 1 A 65 65 ASP H H 65 8.391 7.654 0.737 1 1 790 . 9 1 1 A 65 65 ASP HA H 65 4.841 4.771 0.070 1 1 793 . 9 1 1 A 65 65 ASP C C 65 174.854 175.613 -0.759 1 1 794 . 9 1 1 A 65 65 ASP CA C 65 53.483 53.816 -0.333 1 1 795 . 9 1 1 A 65 65 ASP CB C 65 40.114 41.058 -0.944 1 1 796 . 9 1 1 A 65 65 ASP N N 65 119.308 119.732 -0.424 1 1 797 . 9 1 1 A 66 66 LEU H H 66 7.517 7.286 0.231 1 1 798 . 9 1 1 A 66 66 LEU HA H 66 3.962 4.172 -0.210 1 1 808 . 9 1 1 A 66 66 LEU C C 66 176.708 177.488 -0.780 1 1 809 . 9 1 1 A 66 66 LEU CA C 66 57.471 56.463 1.008 1 1 810 . 9 1 1 A 66 66 LEU CB C 66 43.322 42.628 0.694 1 1 814 . 9 1 1 A 66 66 LEU N N 66 120.009 123.167 -3.158 1 1 815 . 9 1 1 A 67 67 THR H H 67 9.329 10.267 -0.938 1 1 816 . 9 1 1 A 67 67 THR HA H 67 4.363 4.343 0.020 1 1 821 . 9 1 1 A 67 67 THR C C 67 175.145 174.114 1.031 1 1 822 . 9 1 1 A 67 67 THR CA C 67 64.019 63.610 0.409 1 1 823 . 9 1 1 A 67 67 THR CB C 67 69.107 69.090 0.017 1 1 825 . 9 1 1 A 67 67 THR N N 67 123.534 121.039 2.495 1 1 826 . 9 1 1 A 68 68 CYS H H 68 7.584 7.059 0.525 1 1 827 . 9 1 1 A 68 68 CYS HA H 68 4.604 4.728 -0.124 1 1 830 . 9 1 1 A 68 68 CYS C C 68 170.528 172.297 -1.769 1 1 831 . 9 1 1 A 68 68 CYS CA C 68 57.402 58.649 -1.247 1 1 832 . 9 1 1 A 68 68 CYS CB C 68 29.175 31.109 -1.934 1 1 833 . 9 1 1 A 68 68 CYS N N 68 115.015 116.104 -1.089 1 1 834 . 9 1 1 A 69 69 LEU H H 69 8.730 8.673 0.057 1 1 835 . 9 1 1 A 69 69 LEU HA H 69 5.411 5.080 0.331 1 1 845 . 9 1 1 A 69 69 LEU C C 69 176.356 175.919 0.437 1 1 846 . 9 1 1 A 69 69 LEU CA C 69 54.242 54.123 0.119 1 1 847 . 9 1 1 A 69 69 LEU CB C 69 44.885 45.546 -0.661 1 1 851 . 9 1 1 A 69 69 LEU N N 69 125.633 122.734 2.899 1 1 852 . 9 1 1 A 70 70 THR H H 70 9.197 8.737 0.460 1 1 853 . 9 1 1 A 70 70 THR HA H 70 4.702 5.122 -0.420 1 1 858 . 9 1 1 A 70 70 THR C C 70 173.582 173.827 -0.245 1 1 859 . 9 1 1 A 70 70 THR CA C 70 60.384 59.880 0.504 1 1 860 . 9 1 1 A 70 70 THR CB C 70 70.870 71.700 -0.830 1 1 862 . 9 1 1 A 70 70 THR N N 70 120.391 118.510 1.881 1 1 863 . 9 1 1 A 71 71 GLU H H 71 8.965 8.843 0.122 1 1 864 . 9 1 1 A 71 71 GLU HA H 71 4.685 5.350 -0.665 1 1 869 . 9 1 1 A 71 71 GLU C C 71 175.957 175.451 0.506 1 1 870 . 9 1 1 A 71 71 GLU CA C 71 56.254 54.578 1.676 1 1 871 . 9 1 1 A 71 71 GLU CB C 71 31.396 32.860 -1.464 1 1 873 . 9 1 1 A 71 71 GLU N N 71 124.718 119.939 4.779 1 1 874 . 9 1 1 A 72 72 GLN H H 72 8.318 9.326 -1.008 1 1 875 . 9 1 1 A 72 72 GLN HA H 72 4.629 4.377 0.252 1 1 882 . 9 1 1 A 72 72 GLN C C 72 175.254 177.198 -1.944 1 1 883 . 9 1 1 A 72 72 GLN CA C 72 55.336 55.814 -0.478 1 1 884 . 9 1 1 A 72 72 GLN CB C 72 30.533 29.167 1.366 1 1 886 . 9 1 1 A 72 72 GLN N N 72 123.543 123.479 0.064 1 1 888 . 9 1 1 A 73 73 ASN H H 73 8.670 9.087 -0.417 1 1 889 . 9 1 1 A 73 73 ASN HA H 73 4.688 4.299 0.389 1 1 894 . 9 1 1 A 73 73 ASN C C 73 175.229 175.411 -0.182 1 1 895 . 9 1 1 A 73 73 ASN CA C 73 53.607 56.839 -3.232 1 1 896 . 9 1 1 A 73 73 ASN CB C 73 39.169 38.291 0.878 1 1 897 . 9 1 1 A 73 73 ASN N N 73 120.534 124.153 -3.619 1 1 899 . 9 1 1 A 74 74 SER H H 74 8.641 7.886 0.755 1 1 900 . 9 1 1 A 74 74 SER HA H 74 4.652 4.468 0.184 1 1 903 . 9 1 1 A 74 74 SER C C 74 175.121 173.702 1.419 1 1 904 . 9 1 1 A 74 74 SER CA C 74 58.409 60.897 -2.488 1 1 905 . 9 1 1 A 74 74 SER CB C 74 64.401 62.076 2.325 1 1 906 . 9 1 1 A 74 74 SER N N 74 117.448 112.732 4.716 1 1 907 . 9 1 1 A 75 75 THR HA H 75 4.282 4.045 0.237 1 1 912 . 9 1 1 A 75 75 THR C C 75 174.878 174.932 -0.054 1 1 913 . 9 1 1 A 75 75 THR CA C 75 62.819 63.296 -0.477 1 1 914 . 9 1 1 A 75 75 THR CB C 75 69.061 68.126 0.935 1 1 916 . 9 1 1 A 76 76 GLU H H 76 8.156 9.276 -1.120 1 1 917 . 9 1 1 A 76 76 GLU HA H 76 4.350 3.968 0.382 1 1 922 . 9 1 1 A 76 76 GLU C C 76 176.138 176.114 0.024 1 1 923 . 9 1 1 A 76 76 GLU CA C 76 56.202 57.877 -1.675 1 1 924 . 9 1 1 A 76 76 GLU CB C 76 30.532 28.093 2.439 1 1 926 . 9 1 1 A 76 76 GLU N N 76 122.220 127.723 -5.503 1 1 927 . 9 1 1 A 77 77 LYS H H 77 8.443 8.341 0.102 1 1 928 . 9 1 1 A 77 77 LYS HA H 77 4.221 3.905 0.316 1 1 937 . 9 1 1 A 77 77 LYS C C 77 176.465 175.843 0.622 1 1 938 . 9 1 1 A 77 77 LYS CA C 77 56.730 57.139 -0.409 1 1 939 . 9 1 1 A 77 77 LYS CB C 77 32.301 30.860 1.441 1 1 943 . 9 1 1 A 77 77 LYS N N 77 122.162 114.811 7.351 1 1 944 . 9 1 1 A 78 78 ASN H H 78 8.621 7.985 0.636 1 1 945 . 9 1 1 A 78 78 ASN HA H 78 4.641 5.089 -0.448 1 1 950 . 9 1 1 A 78 78 ASN C C 78 173.485 174.383 -0.898 1 1 951 . 9 1 1 A 78 78 ASN CA C 78 53.748 52.311 1.437 1 1 952 . 9 1 1 A 78 78 ASN CB C 78 38.058 40.679 -2.621 1 1 953 . 9 1 1 A 78 78 ASN N N 78 116.583 120.985 -4.402 1 1 955 . 9 1 1 A 79 79 CYS H H 79 7.551 8.457 -0.906 1 1 956 . 9 1 1 A 79 79 CYS HA H 79 4.371 4.486 -0.115 1 1 959 . 9 1 1 A 79 79 CYS C C 79 172.515 174.094 -1.579 1 1 960 . 9 1 1 A 79 79 CYS CA C 79 57.295 61.364 -4.069 1 1 961 . 9 1 1 A 79 79 CYS CB C 79 29.628 26.688 2.940 1 1 962 . 9 1 1 A 79 79 CYS N N 79 112.640 124.627 -11.987 1 1 963 . 9 1 1 A 80 80 ALA H H 80 7.642 8.605 -0.963 1 1 964 . 9 1 1 A 80 80 ALA HA H 80 4.727 4.687 0.040 1 1 968 . 9 1 1 A 80 80 ALA C C 80 175.314 177.000 -1.686 1 1 969 . 9 1 1 A 80 80 ALA CA C 80 51.330 51.441 -0.111 1 1 970 . 9 1 1 A 80 80 ALA CB C 80 21.896 19.959 1.937 1 1 971 . 9 1 1 A 80 80 ALA N N 80 124.099 126.403 -2.304 1 1 972 . 9 1 1 A 81 81 LYS H H 81 8.459 8.720 -0.261 1 1 973 . 9 1 1 A 81 81 LYS HA H 81 5.112 4.799 0.313 1 1 982 . 9 1 1 A 81 81 LYS C C 81 174.781 175.096 -0.315 1 1 983 . 9 1 1 A 81 81 LYS CA C 81 55.283 54.548 0.735 1 1 984 . 9 1 1 A 81 81 LYS CB C 81 36.133 34.685 1.448 1 1 988 . 9 1 1 A 81 81 LYS N N 81 119.796 123.842 -4.046 1 1 989 . 9 1 1 A 82 82 PHE H H 82 8.748 7.690 1.058 1 1 990 . 9 1 1 A 82 82 PHE HA H 82 5.513 5.839 -0.326 1 1 998 . 9 1 1 A 82 82 PHE C C 82 174.357 172.624 1.733 1 1 999 . 9 1 1 A 82 82 PHE CA C 82 55.643 56.126 -0.483 1 1 1000 . 9 1 1 A 82 82 PHE CB C 82 42.089 42.360 -0.271 1 1 1006 . 9 1 1 A 82 82 PHE N N 82 119.073 119.888 -0.815 1 1 1007 . 9 1 1 A 83 83 THR H H 83 9.290 8.449 0.841 1 1 1008 . 9 1 1 A 83 83 THR HA H 83 5.032 4.929 0.103 1 1 1013 . 9 1 1 A 83 83 THR C C 83 173.472 174.209 -0.737 1 1 1014 . 9 1 1 A 83 83 THR CA C 83 62.113 61.427 0.686 1 1 1015 . 9 1 1 A 83 83 THR CB C 83 71.076 70.665 0.411 1 1 1017 . 9 1 1 A 83 83 THR N N 83 116.845 116.426 0.419 1 1 1018 . 9 1 1 A 84 84 LEU H H 84 9.502 9.109 0.393 1 1 1019 . 9 1 1 A 84 84 LEU HA H 84 4.691 4.764 -0.073 1 1 1029 . 9 1 1 A 84 84 LEU C C 84 174.308 176.112 -1.804 1 1 1030 . 9 1 1 A 84 84 LEU CA C 84 54.224 54.094 0.130 1 1 1031 . 9 1 1 A 84 84 LEU CB C 84 41.636 41.253 0.383 1 1 1035 . 9 1 1 A 84 84 LEU N N 84 125.923 128.363 -2.440 1 1 1036 . 9 1 1 A 85 85 VAL H H 85 8.620 8.729 -0.109 1 1 1037 . 9 1 1 A 85 85 VAL HA H 85 4.151 4.508 -0.357 1 1 1045 . 9 1 1 A 85 85 VAL C C 85 174.188 175.209 -1.021 1 1 1046 . 9 1 1 A 85 85 VAL CA C 85 63.649 62.025 1.624 1 1 1047 . 9 1 1 A 85 85 VAL CB C 85 30.861 31.613 -0.752 1 1 1050 . 9 1 1 A 85 85 VAL N N 85 126.007 125.051 0.956 1 1 1051 . 9 1 1 A 86 86 LEU H H 86 8.534 8.888 -0.354 1 1 1052 . 9 1 1 A 86 86 LEU HA H 86 4.853 4.786 0.067 1 1 1062 . 9 1 1 A 86 86 LEU C C 86 174.878 176.756 -1.878 1 1 1063 . 9 1 1 A 86 86 LEU CA C 86 53.183 52.183 1.000 1 1 1064 . 9 1 1 A 86 86 LEU CB C 86 40.485 43.454 -2.969 1 1 1068 . 9 1 1 A 86 86 LEU N N 86 129.551 128.213 1.338 1 1 1069 . 9 1 1 A 87 87 PRO HA H 87 4.221 4.565 -0.344 1 1 1076 . 9 1 1 A 87 87 PRO C C 87 178.223 177.086 1.137 1 1 1077 . 9 1 1 A 87 87 PRO CA C 87 66.455 64.144 2.311 1 1 1078 . 9 1 1 A 87 87 PRO CB C 87 32.260 31.707 0.553 1 1 1081 . 9 1 1 A 88 88 LYS H H 88 8.414 8.199 0.215 1 1 1082 . 9 1 1 A 88 88 LYS HA H 88 4.548 4.352 0.196 1 1 1091 . 9 1 1 A 88 88 LYS C C 88 176.187 176.604 -0.417 1 1 1092 . 9 1 1 A 88 88 LYS CA C 88 55.071 57.054 -1.983 1 1 1093 . 9 1 1 A 88 88 LYS CB C 88 33.534 33.989 -0.455 1 1 1097 . 9 1 1 A 88 88 LYS N N 88 110.404 116.720 -6.316 1 1 1098 . 9 1 1 A 89 89 GLU H H 89 7.208 7.843 -0.635 1 1 1099 . 9 1 1 A 89 89 GLU HA H 89 4.561 4.797 -0.236 1 1 1104 . 9 1 1 A 89 89 GLU C C 89 172.527 174.016 -1.489 1 1 1105 . 9 1 1 A 89 89 GLU CA C 89 56.007 55.473 0.534 1 1 1106 . 9 1 1 A 89 89 GLU CB C 89 33.082 33.422 -0.340 1 1 1108 . 9 1 1 A 89 89 GLU N N 89 116.828 114.963 1.865 1 1 1109 . 9 1 1 A 90 90 GLU H H 90 8.321 8.663 -0.342 1 1 1110 . 9 1 1 A 90 90 GLU HA H 90 5.249 5.281 -0.032 1 1 1115 . 9 1 1 A 90 90 GLU C C 90 176.296 175.713 0.583 1 1 1116 . 9 1 1 A 90 90 GLU CA C 90 54.860 55.232 -0.372 1 1 1117 . 9 1 1 A 90 90 GLU CB C 90 31.972 31.964 0.008 1 1 1119 . 9 1 1 A 90 90 GLU N N 90 119.609 124.178 -4.569 1 1 1120 . 9 1 1 A 91 91 VAL H H 91 8.972 8.653 0.319 1 1 1121 . 9 1 1 A 91 91 VAL HA H 91 4.352 4.726 -0.374 1 1 1129 . 9 1 1 A 91 91 VAL C C 91 174.284 174.392 -0.108 1 1 1130 . 9 1 1 A 91 91 VAL CA C 91 61.284 60.236 1.048 1 1 1131 . 9 1 1 A 91 91 VAL CB C 91 34.891 35.457 -0.566 1 1 1134 . 9 1 1 A 91 91 VAL N N 91 123.947 122.478 1.469 1 1 1135 . 9 1 1 A 92 92 GLN H H 92 8.241 8.499 -0.258 1 1 1136 . 9 1 1 A 92 92 GLN HA H 92 4.930 4.826 0.104 1 1 1143 . 9 1 1 A 92 92 GLN C C 92 174.115 175.091 -0.976 1 1 1144 . 9 1 1 A 92 92 GLN CA C 92 55.583 55.341 0.242 1 1 1145 . 9 1 1 A 92 92 GLN CB C 92 30.121 29.864 0.257 1 1 1147 . 9 1 1 A 92 92 GLN N N 92 125.869 125.911 -0.042 1 1 1149 . 9 1 1 A 93 93 LEU H H 93 9.145 8.734 0.411 1 1 1150 . 9 1 1 A 93 93 LEU HA H 93 5.456 5.083 0.373 1 1 1160 . 9 1 1 A 93 93 LEU C C 93 176.256 175.084 1.172 1 1 1161 . 9 1 1 A 93 93 LEU CA C 93 53.801 53.075 0.726 1 1 1162 . 9 1 1 A 93 93 LEU CB C 93 45.913 44.522 1.391 1 1 1166 . 9 1 1 A 93 93 LEU N N 93 123.952 126.403 -2.451 1 1 1167 . 9 1 1 A 94 94 LYS H H 94 9.255 8.360 0.895 1 1 1168 . 9 1 1 A 94 94 LYS HA H 94 5.452 4.872 0.580 1 1 1177 . 9 1 1 A 94 94 LYS C C 94 174.563 174.500 0.063 1 1 1178 . 9 1 1 A 94 94 LYS CA C 94 54.718 54.557 0.161 1 1 1179 . 9 1 1 A 94 94 LYS CB C 94 36.571 35.807 0.764 1 1 1183 . 9 1 1 A 94 94 LYS N N 94 124.618 123.806 0.812 1 1 1184 . 9 1 1 A 95 95 THR H H 95 8.582 8.436 0.146 1 1 1185 . 9 1 1 A 95 95 THR HA H 95 4.946 4.888 0.058 1 1 1190 . 9 1 1 A 95 95 THR C C 95 175.278 174.823 0.455 1 1 1191 . 9 1 1 A 95 95 THR CA C 95 59.908 59.146 0.762 1 1 1192 . 9 1 1 A 95 95 THR CB C 95 70.917 71.525 -0.608 1 1 1194 . 9 1 1 A 95 95 THR N N 95 112.788 116.095 -3.307 1 1 1195 . 9 1 1 A 96 96 GLU H H 96 9.033 8.842 0.191 1 1 1196 . 9 1 1 A 96 96 GLU HA H 96 4.321 4.358 -0.037 1 1 1201 . 9 1 1 A 96 96 GLU C C 96 175.435 176.670 -1.235 1 1 1202 . 9 1 1 A 96 96 GLU CA C 96 57.595 58.567 -0.972 1 1 1203 . 9 1 1 A 96 96 GLU CB C 96 30.656 31.041 -0.385 1 1 1205 . 9 1 1 A 96 96 GLU N N 96 117.745 120.488 -2.743 1 1 1206 . 9 1 1 A 97 97 ASN H H 97 7.562 8.139 -0.577 1 1 1207 . 9 1 1 A 97 97 ASN HA H 97 5.074 5.134 -0.060 1 1 1212 . 9 1 1 A 97 97 ASN C C 97 176.575 175.190 1.385 1 1 1213 . 9 1 1 A 97 97 ASN CA C 97 52.195 51.733 0.462 1 1 1214 . 9 1 1 A 97 97 ASN CB C 97 40.485 40.285 0.200 1 1 1215 . 9 1 1 A 97 97 ASN N N 97 110.462 116.435 -5.973 1 1 1217 . 9 1 1 A 98 98 THR HA H 98 3.916 3.956 -0.040 1 1 1222 . 9 1 1 A 98 98 THR C C 98 176.938 175.782 1.156 1 1 1223 . 9 1 1 A 98 98 THR CA C 98 66.349 66.684 -0.335 1 1 1224 . 9 1 1 A 98 98 THR CB C 98 68.638 69.005 -0.367 1 1 1226 . 9 1 1 A 99 99 GLU H H 99 9.316 8.299 1.017 1 1 1227 . 9 1 1 A 99 99 GLU HA H 99 4.221 4.059 0.162 1 1 1232 . 9 1 1 A 99 99 GLU C C 99 179.241 179.089 0.152 1 1 1233 . 9 1 1 A 99 99 GLU CA C 99 60.754 59.432 1.322 1 1 1234 . 9 1 1 A 99 99 GLU CB C 99 28.764 29.387 -0.623 1 1 1236 . 9 1 1 A 99 99 GLU N N 99 125.868 121.622 4.246 1 1 1237 . 9 1 1 A 100 100 SER H H 100 8.739 8.436 0.303 1 1 1238 . 9 1 1 A 100 100 SER HA H 100 4.863 4.434 0.429 1 1 1241 . 9 1 1 A 100 100 SER C C 100 177.411 177.265 0.146 1 1 1242 . 9 1 1 A 100 100 SER CA C 100 61.037 62.734 -1.697 1 1 1243 . 9 1 1 A 100 100 SER CB C 100 63.879 63.224 0.655 1 1 1244 . 9 1 1 A 100 100 SER N N 100 114.755 115.853 -1.098 1 1 1245 . 9 1 1 A 101 101 GLY H H 101 7.879 8.516 -0.637 1 1 1246 . 9 1 1 A 101 101 GLY HA2 H 101 4.139 3.923 0.216 1 1 1247 . 9 1 1 A 101 101 GLY HA3 H 101 4.012 4.042 -0.030 1 1 1248 . 9 1 1 A 101 101 GLY C C 101 174.611 175.968 -1.357 1 1 1249 . 9 1 1 A 101 101 GLY CA C 101 48.948 47.489 1.459 1 1 1250 . 9 1 1 A 101 101 GLY N N 101 108.940 109.337 -0.397 1 1 1251 . 9 1 1 A 102 102 GLU H H 102 7.801 8.112 -0.311 1 1 1252 . 9 1 1 A 102 102 GLU HA H 102 4.171 4.103 0.068 1 1 1257 . 9 1 1 A 102 102 GLU C C 102 179.084 179.355 -0.271 1 1 1258 . 9 1 1 A 102 102 GLU CA C 102 58.601 59.367 -0.766 1 1 1259 . 9 1 1 A 102 102 GLU CB C 102 29.627 29.312 0.315 1 1 1261 . 9 1 1 A 102 102 GLU N N 102 120.720 121.338 -0.618 1 1 1262 . 9 1 1 A 103 103 GLU H H 103 7.781 7.646 0.135 1 1 1263 . 9 1 1 A 103 103 GLU HA H 103 3.739 3.998 -0.259 1 1 1268 . 9 1 1 A 103 103 GLU C C 103 178.235 179.044 -0.809 1 1 1269 . 9 1 1 A 103 103 GLU CA C 103 60.366 58.991 1.375 1 1 1270 . 9 1 1 A 103 103 GLU CB C 103 30.491 29.358 1.133 1 1 1272 . 9 1 1 A 103 103 GLU N N 103 119.068 118.953 0.115 1 1 1273 . 9 1 1 A 104 104 TRP H H 104 8.761 8.614 0.147 1 1 1274 . 9 1 1 A 104 104 TRP HA H 104 4.171 4.531 -0.360 1 1 1283 . 9 1 1 A 104 104 TRP C C 104 178.817 178.655 0.162 1 1 1284 . 9 1 1 A 104 104 TRP CA C 104 62.290 60.542 1.748 1 1 1285 . 9 1 1 A 104 104 TRP CB C 104 29.340 29.695 -0.355 1 1 1291 . 9 1 1 A 104 104 TRP N N 104 118.358 120.526 -2.168 1 1 1293 . 9 1 1 A 105 105 ARG H H 105 8.400 8.212 0.188 1 1 1294 . 9 1 1 A 105 105 ARG HA H 105 3.481 3.639 -0.158 1 1 1302 . 9 1 1 A 105 105 ARG C C 105 177.666 179.159 -1.493 1 1 1303 . 9 1 1 A 105 105 ARG CA C 105 60.666 59.361 1.305 1 1 1304 . 9 1 1 A 105 105 ARG CB C 105 30.162 30.228 -0.066 1 1 1307 . 9 1 1 A 105 105 ARG N N 105 117.098 119.387 -2.289 1 1 1309 . 9 1 1 A 106 106 GLY H H 106 8.202 8.373 -0.171 1 1 1310 . 9 1 1 A 106 106 GLY HA2 H 106 3.470 3.670 -0.200 1 1 1311 . 9 1 1 A 106 106 GLY HA3 H 106 3.382 3.682 -0.300 1 1 1312 . 9 1 1 A 106 106 GLY C C 106 176.162 176.240 -0.078 1 1 1313 . 9 1 1 A 106 106 GLY CA C 106 47.554 47.218 0.336 1 1 1314 . 9 1 1 A 106 106 GLY N N 106 104.212 107.167 -2.955 1 1 1315 . 9 1 1 A 107 107 PHE H H 107 8.491 8.200 0.291 1 1 1316 . 9 1 1 A 107 107 PHE HA H 107 3.722 4.185 -0.463 1 1 1324 . 9 1 1 A 107 107 PHE C C 107 177.265 178.031 -0.766 1 1 1325 . 9 1 1 A 107 107 PHE CA C 107 64.284 59.864 4.420 1 1 1326 . 9 1 1 A 107 107 PHE CB C 107 39.209 38.764 0.445 1 1 1332 . 9 1 1 A 107 107 PHE N N 107 122.710 120.383 2.327 1 1 1333 . 9 1 1 A 108 108 ILE H H 108 8.674 9.092 -0.418 1 1 1334 . 9 1 1 A 108 108 ILE HA H 108 3.523 3.741 -0.218 1 1 1344 . 9 1 1 A 108 108 ILE C C 108 178.623 178.138 0.485 1 1 1345 . 9 1 1 A 108 108 ILE CA C 108 66.384 64.961 1.423 1 1 1346 . 9 1 1 A 108 108 ILE CB C 108 37.852 38.003 -0.151 1 1 1350 . 9 1 1 A 108 108 ILE N N 108 117.395 119.643 -2.248 1 1 1351 . 9 1 1 A 109 109 LEU H H 109 8.378 9.526 -1.148 1 1 1352 . 9 1 1 A 109 109 LEU HA H 109 4.032 4.485 -0.453 1 1 1362 . 9 1 1 A 109 109 LEU C C 109 178.635 179.412 -0.777 1 1 1363 . 9 1 1 A 109 109 LEU CA C 109 57.878 57.191 0.687 1 1 1364 . 9 1 1 A 109 109 LEU CB C 109 40.854 41.539 -0.685 1 1 1368 . 9 1 1 A 109 109 LEU N N 109 118.573 117.925 0.648 1 1 1369 . 9 1 1 A 110 110 THR H H 110 7.600 7.601 -0.001 1 1 1370 . 9 1 1 A 110 110 THR HA H 110 4.110 4.412 -0.302 1 1 1375 . 9 1 1 A 110 110 THR C C 110 177.265 176.651 0.614 1 1 1376 . 9 1 1 A 110 110 THR CA C 110 68.325 65.152 3.173 1 1 1377 . 9 1 1 A 110 110 THR CB C 110 68.230 69.330 -1.100 1 1 1379 . 9 1 1 A 110 110 THR N N 110 115.926 113.933 1.993 1 1 1380 . 9 1 1 A 111 111 VAL H H 111 7.490 7.772 -0.282 1 1 1381 . 9 1 1 A 111 111 VAL HA H 111 3.912 4.384 -0.472 1 1 1389 . 9 1 1 A 111 111 VAL C C 111 174.793 176.768 -1.975 1 1 1390 . 9 1 1 A 111 111 VAL CA C 111 64.601 63.040 1.561 1 1 1391 . 9 1 1 A 111 111 VAL CB C 111 32.007 31.834 0.173 1 1 1394 . 9 1 1 A 111 111 VAL N N 111 109.123 116.724 -7.601 1 1 1395 . 9 1 1 A 112 112 THR H H 112 7.410 7.349 0.061 1 1 1396 . 9 1 1 A 112 112 THR HA H 112 4.494 4.568 -0.074 1 1 1401 . 9 1 1 A 112 112 THR C C 112 177.265 176.105 1.160 1 1 1402 . 9 1 1 A 112 112 THR CA C 112 62.784 62.704 0.080 1 1 1403 . 9 1 1 A 112 112 THR CB C 112 69.290 69.957 -0.667 1 1 1405 . 9 1 1 A 112 112 THR N N 112 107.046 111.808 -4.762 1 1 1406 . 9 1 1 A 113 113 GLU H H 113 8.541 8.040 0.501 1 1 1407 . 9 1 1 A 113 113 GLU HA H 113 4.280 4.300 -0.020 1 1 1412 . 9 1 1 A 113 113 GLU C C 113 176.745 176.055 0.690 1 1 1413 . 9 1 1 A 113 113 GLU CA C 113 57.048 56.381 0.667 1 1 1414 . 9 1 1 A 113 113 GLU CB C 113 29.422 30.154 -0.732 1 1 1416 . 9 1 1 A 113 113 GLU N N 113 120.888 120.440 0.448 1 1 1417 . 9 1 1 A 114 114 LEU H H 114 7.561 7.813 -0.252 1 1 1418 . 9 1 1 A 114 114 LEU HA H 114 4.042 3.880 0.162 1 1 1428 . 9 1 1 A 114 114 LEU C C 114 175.569 175.521 0.048 1 1 1429 . 9 1 1 A 114 114 LEU CA C 114 55.213 56.590 -1.377 1 1 1430 . 9 1 1 A 114 114 LEU CB C 114 38.182 41.189 -3.007 1 1 1434 . 9 1 1 A 114 114 LEU N N 114 114.453 119.628 -5.175 1 1 1435 . 9 1 1 A 115 115 SER H H 115 7.113 7.577 -0.464 1 1 1436 . 9 1 1 A 115 115 SER HA H 115 4.315 4.694 -0.379 1 1 1439 . 9 1 1 A 115 115 SER C C 115 173.521 172.268 1.253 1 1 1440 . 9 1 1 A 115 115 SER CA C 115 57.454 55.779 1.675 1 1 1441 . 9 1 1 A 115 115 SER CB C 115 64.505 65.159 -0.654 1 1 1442 . 9 1 1 A 115 115 SER N N 115 110.010 112.689 -2.679 1 1 1443 . 9 1 1 A 116 116 VAL H H 116 8.635 8.338 0.297 1 1 1444 . 9 1 1 A 116 116 VAL HA H 116 4.210 4.398 -0.188 1 1 1452 . 9 1 1 A 116 116 VAL C C 116 175.024 173.931 1.093 1 1 1453 . 9 1 1 A 116 116 VAL CA C 116 60.948 58.725 2.223 1 1 1454 . 9 1 1 A 116 116 VAL CB C 116 32.177 34.983 -2.806 1 1 1457 . 9 1 1 A 116 116 VAL N N 116 129.442 120.880 8.562 1 1 1458 . 9 1 1 A 117 117 PRO HA H 117 4.381 4.774 -0.393 1 1 1465 . 9 1 1 A 117 117 PRO C C 117 176.478 177.345 -0.867 1 1 1466 . 9 1 1 A 117 117 PRO CA C 117 62.678 62.346 0.332 1 1 1467 . 9 1 1 A 117 117 PRO CB C 117 31.931 31.689 0.242 1 1 1470 . 9 1 1 A 118 118 GLN H H 118 8.576 8.819 -0.243 1 1 1471 . 9 1 1 A 118 118 GLN HA H 118 4.282 4.457 -0.175 1 1 1478 . 9 1 1 A 118 118 GLN C C 118 176.575 175.852 0.723 1 1 1479 . 9 1 1 A 118 118 GLN CA C 118 55.866 56.027 -0.161 1 1 1480 . 9 1 1 A 118 118 GLN CB C 118 29.704 29.283 0.421 1 1 1482 . 9 1 1 A 118 118 GLN N N 118 118.498 121.551 -3.053 1 1 1484 . 9 1 1 A 119 119 ASN H H 119 8.444 7.855 0.589 1 1 1485 . 9 1 1 A 119 119 ASN HA H 119 4.727 4.928 -0.201 1 1 1490 . 9 1 1 A 119 119 ASN C C 119 174.842 174.358 0.484 1 1 1491 . 9 1 1 A 119 119 ASN CA C 119 52.812 52.441 0.371 1 1 1492 . 9 1 1 A 119 119 ASN CB C 119 37.071 38.950 -1.879 1 1 1493 . 9 1 1 A 119 119 ASN N N 119 117.223 118.364 -1.141 1 1 1495 . 9 1 1 A 120 120 VAL H H 120 7.182 7.550 -0.368 1 1 1496 . 9 1 1 A 120 120 VAL HA H 120 4.381 4.694 -0.313 1 1 1504 . 9 1 1 A 120 120 VAL C C 120 175.484 175.372 0.112 1 1 1505 . 9 1 1 A 120 120 VAL CA C 120 60.048 59.277 0.771 1 1 1506 . 9 1 1 A 120 120 VAL CB C 120 34.028 34.534 -0.506 1 1 1509 . 9 1 1 A 120 120 VAL N N 120 114.038 117.036 -2.998 1 1 1510 . 9 1 1 A 121 121 SER H H 121 9.313 9.203 0.110 1 1 1511 . 9 1 1 A 121 121 SER HA H 121 4.552 4.553 -0.001 1 1 1514 . 9 1 1 A 121 121 SER C C 121 173.096 174.256 -1.160 1 1 1515 . 9 1 1 A 121 121 SER CA C 121 57.119 58.063 -0.944 1 1 1516 . 9 1 1 A 121 121 SER CB C 121 62.528 63.766 -1.238 1 1 1517 . 9 1 1 A 121 121 SER N N 121 122.117 115.979 6.138 1 1 1518 . 9 1 1 A 122 122 LEU H H 122 7.470 7.153 0.317 1 1 1519 . 9 1 1 A 122 122 LEU HA H 122 4.618 4.135 0.483 1 1 1529 . 9 1 1 A 122 122 LEU C C 122 176.526 177.559 -1.033 1 1 1530 . 9 1 1 A 122 122 LEU CA C 122 52.795 55.337 -2.542 1 1 1531 . 9 1 1 A 122 122 LEU CB C 122 45.790 42.796 2.994 1 1 1535 . 9 1 1 A 122 122 LEU N N 122 122.878 123.600 -0.722 1 1 1536 . 9 1 1 A 123 123 LEU H H 123 8.765 8.439 0.326 1 1 1537 . 9 1 1 A 123 123 LEU HA H 123 4.574 4.374 0.200 1 1 1547 . 9 1 1 A 123 123 LEU C C 123 176.769 176.806 -0.037 1 1 1548 . 9 1 1 A 123 123 LEU CA C 123 53.748 53.375 0.373 1 1 1549 . 9 1 1 A 123 123 LEU CB C 123 40.649 41.464 -0.815 1 1 1553 . 9 1 1 A 123 123 LEU N N 123 122.054 123.600 -1.546 1 1 1554 . 9 1 1 A 124 124 PRO HA H 124 4.232 4.496 -0.264 1 1 1561 . 9 1 1 A 124 124 PRO CA C 124 66.281 64.048 2.233 1 1 1562 . 9 1 1 A 124 124 PRO CB C 124 31.945 31.742 0.203 1 1 1565 . 9 1 1 A 125 125 GLY HA2 H 125 3.901 3.903 -0.002 1 1 1566 . 9 1 1 A 125 125 GLY HA3 H 125 3.901 3.909 -0.008 1 1 1567 . 9 1 1 A 125 125 GLY C C 125 176.696 175.899 0.797 1 1 1568 . 9 1 1 A 125 125 GLY CA C 125 46.724 46.315 0.409 1 1 1569 . 9 1 1 A 126 126 GLN H H 126 7.495 7.890 -0.395 1 1 1570 . 9 1 1 A 126 126 GLN HA H 126 4.261 4.049 0.212 1 1 1577 . 9 1 1 A 126 126 GLN C C 126 178.235 178.002 0.233 1 1 1578 . 9 1 1 A 126 126 GLN CA C 126 57.807 58.625 -0.818 1 1 1579 . 9 1 1 A 126 126 GLN CB C 126 30.039 28.335 1.704 1 1 1581 . 9 1 1 A 126 126 GLN N N 126 120.404 122.150 -1.746 1 1 1583 . 9 1 1 A 127 127 VAL H H 127 7.839 7.730 0.109 1 1 1584 . 9 1 1 A 127 127 VAL HA H 127 3.360 3.575 -0.215 1 1 1592 . 9 1 1 A 127 127 VAL C C 127 178.441 178.007 0.434 1 1 1593 . 9 1 1 A 127 127 VAL CA C 127 67.231 65.906 1.325 1 1 1594 . 9 1 1 A 127 127 VAL CB C 127 31.948 31.614 0.334 1 1 1597 . 9 1 1 A 127 127 VAL N N 127 121.180 119.938 1.242 1 1 1598 . 9 1 1 A 128 128 ILE H H 128 7.725 8.367 -0.642 1 1 1599 . 9 1 1 A 128 128 ILE HA H 128 3.820 3.535 0.285 1 1 1609 . 9 1 1 A 128 128 ILE C C 128 178.599 177.995 0.604 1 1 1610 . 9 1 1 A 128 128 ILE CA C 128 64.978 65.590 -0.612 1 1 1611 . 9 1 1 A 128 128 ILE CB C 128 37.976 37.886 0.090 1 1 1615 . 9 1 1 A 128 128 ILE N N 128 119.369 120.937 -1.568 1 1 1616 . 9 1 1 A 129 129 LYS H H 129 7.204 7.911 -0.707 1 1 1617 . 9 1 1 A 129 129 LYS HA H 129 4.241 3.838 0.403 1 1 1626 . 9 1 1 A 129 129 LYS C C 129 178.902 179.071 -0.169 1 1 1627 . 9 1 1 A 129 129 LYS CA C 129 58.690 59.216 -0.526 1 1 1628 . 9 1 1 A 129 129 LYS CB C 129 31.725 32.160 -0.435 1 1 1632 . 9 1 1 A 129 129 LYS N N 129 119.356 118.814 0.542 1 1 1633 . 9 1 1 A 130 130 LEU H H 130 7.750 7.716 0.034 1 1 1634 . 9 1 1 A 130 130 LEU HA H 130 3.649 3.448 0.201 1 1 1644 . 9 1 1 A 130 130 LEU C C 130 178.756 179.300 -0.544 1 1 1645 . 9 1 1 A 130 130 LEU CA C 130 57.913 57.462 0.451 1 1 1646 . 9 1 1 A 130 130 LEU CB C 130 40.197 41.213 -1.016 1 1 1650 . 9 1 1 A 130 130 LEU N N 130 118.271 119.164 -0.893 1 1 1651 . 9 1 1 A 131 131 HIS H H 131 7.732 8.032 -0.300 1 1 1652 . 9 1 1 A 131 131 HIS HA H 131 3.918 4.259 -0.341 1 1 1657 . 9 1 1 A 131 131 HIS C C 131 178.392 177.932 0.460 1 1 1658 . 9 1 1 A 131 131 HIS CA C 131 61.019 59.313 1.706 1 1 1659 . 9 1 1 A 131 131 HIS CB C 131 29.951 30.425 -0.474 1 1 1662 . 9 1 1 A 131 131 HIS N N 131 117.308 117.885 -0.577 1 1 1663 . 9 1 1 A 132 132 GLU H H 132 8.030 8.945 -0.915 1 1 1664 . 9 1 1 A 132 132 GLU HA H 132 4.097 3.911 0.186 1 1 1669 . 9 1 1 A 132 132 GLU C C 132 179.907 179.502 0.405 1 1 1670 . 9 1 1 A 132 132 GLU CA C 132 59.660 59.260 0.400 1 1 1671 . 9 1 1 A 132 132 GLU CB C 132 29.627 29.536 0.091 1 1 1673 . 9 1 1 A 132 132 GLU N N 132 121.443 119.146 2.297 1 1 1674 . 9 1 1 A 133 133 VAL H H 133 8.250 9.219 -0.969 1 1 1675 . 9 1 1 A 133 133 VAL HA H 133 3.352 3.326 0.026 1 1 1683 . 9 1 1 A 133 133 VAL C C 133 176.575 177.409 -0.834 1 1 1684 . 9 1 1 A 133 133 VAL CA C 133 66.367 66.337 0.030 1 1 1685 . 9 1 1 A 133 133 VAL CB C 133 31.203 30.988 0.215 1 1 1688 . 9 1 1 A 133 133 VAL N N 133 121.281 120.414 0.867 1 1 1689 . 9 1 1 A 134 134 LEU H H 134 8.259 7.740 0.519 1 1 1690 . 9 1 1 A 134 134 LEU HA H 134 3.645 3.816 -0.171 1 1 1700 . 9 1 1 A 134 134 LEU C C 134 177.980 178.162 -0.182 1 1 1701 . 9 1 1 A 134 134 LEU CA C 134 58.154 58.711 -0.557 1 1 1702 . 9 1 1 A 134 134 LEU CB C 134 40.320 41.891 -1.571 1 1 1706 . 9 1 1 A 134 134 LEU N N 134 120.134 120.323 -0.189 1 1 1707 . 9 1 1 A 135 135 GLU H H 135 7.611 8.361 -0.750 1 1 1708 . 9 1 1 A 135 135 GLU HA H 135 3.972 3.911 0.061 1 1 1713 . 9 1 1 A 135 135 GLU C C 135 179.834 179.236 0.598 1 1 1714 . 9 1 1 A 135 135 GLU CA C 135 59.325 59.620 -0.295 1 1 1715 . 9 1 1 A 135 135 GLU CB C 135 29.134 29.303 -0.169 1 1 1717 . 9 1 1 A 135 135 GLU N N 135 116.026 117.720 -1.694 1 1 1718 . 9 1 1 A 136 136 ARG H H 136 7.789 7.940 -0.151 1 1 1719 . 9 1 1 A 136 136 ARG HA H 136 4.140 4.105 0.035 1 1 1726 . 9 1 1 A 136 136 ARG C C 136 179.083 179.207 -0.124 1 1 1727 . 9 1 1 A 136 136 ARG CA C 136 59.131 59.389 -0.258 1 1 1728 . 9 1 1 A 136 136 ARG CB C 136 30.368 29.982 0.386 1 1 1731 . 9 1 1 A 136 136 ARG N N 136 119.681 119.664 0.017 1 1 1732 . 9 1 1 A 137 137 GLU H H 137 9.238 8.601 0.637 1 1 1733 . 9 1 1 A 137 137 GLU HA H 137 4.637 4.188 0.449 1 1 1738 . 9 1 1 A 137 137 GLU C C 137 178.817 178.996 -0.179 1 1 1739 . 9 1 1 A 137 137 GLU CA C 137 58.036 58.911 -0.875 1 1 1740 . 9 1 1 A 137 137 GLU CB C 137 28.147 28.371 -0.224 1 1 1742 . 9 1 1 A 137 137 GLU N N 137 124.333 118.089 6.244 1 1 1743 . 9 1 1 A 138 138 LYS H H 138 8.788 8.501 0.287 1 1 1744 . 9 1 1 A 138 138 LYS HA H 138 3.899 3.987 -0.088 1 1 1753 . 9 1 1 A 138 138 LYS C C 138 179.944 179.178 0.766 1 1 1754 . 9 1 1 A 138 138 LYS CA C 138 60.754 59.726 1.028 1 1 1755 . 9 1 1 A 138 138 LYS CB C 138 32.789 32.172 0.617 1 1 1759 . 9 1 1 A 138 138 LYS N N 138 119.622 119.742 -0.120 1 1 1760 . 9 1 1 A 139 139 LYS H H 139 7.313 7.684 -0.371 1 1 1761 . 9 1 1 A 139 139 LYS HA H 139 4.070 3.896 0.174 1 1 1770 . 9 1 1 A 139 139 LYS C C 139 178.235 179.115 -0.880 1 1 1771 . 9 1 1 A 139 139 LYS CA C 139 59.166 60.123 -0.957 1 1 1772 . 9 1 1 A 139 139 LYS CB C 139 32.424 32.117 0.307 1 1 1776 . 9 1 1 A 139 139 LYS N N 139 117.326 119.532 -2.206 1 1 1777 . 9 1 1 A 140 140 ARG H H 140 8.344 8.000 0.344 1 1 1778 . 9 1 1 A 140 140 ARG HA H 140 4.080 4.042 0.038 1 1 1786 . 9 1 1 A 140 140 ARG C C 140 179.531 178.899 0.632 1 1 1787 . 9 1 1 A 140 140 ARG CA C 140 59.184 59.443 -0.259 1 1 1788 . 9 1 1 A 140 140 ARG CB C 140 31.190 30.019 1.171 1 1 1791 . 9 1 1 A 140 140 ARG N N 140 121.404 119.747 1.657 1 1 1793 . 9 1 1 A 141 141 ARG H H 141 8.171 8.339 -0.168 1 1 1794 . 9 1 1 A 141 141 ARG HA H 141 4.034 4.020 0.014 1 1 1802 . 9 1 1 A 141 141 ARG C C 141 178.671 178.634 0.037 1 1 1803 . 9 1 1 A 141 141 ARG CA C 141 58.337 59.077 -0.740 1 1 1804 . 9 1 1 A 141 141 ARG CB C 141 30.327 29.949 0.378 1 1 1807 . 9 1 1 A 141 141 ARG N N 141 115.667 118.646 -2.979 1 1 1809 . 9 1 1 A 142 142 ILE H H 142 7.521 8.929 -1.408 1 1 1810 . 9 1 1 A 142 142 ILE HA H 142 4.074 3.739 0.335 1 1 1820 . 9 1 1 A 142 142 ILE C C 142 177.787 176.965 0.822 1 1 1821 . 9 1 1 A 142 142 ILE CA C 142 63.178 64.930 -1.752 1 1 1822 . 9 1 1 A 142 142 ILE CB C 142 38.346 37.849 0.497 1 1 1826 . 9 1 1 A 142 142 ILE N N 142 118.031 120.264 -2.233 1 1 1827 . 9 1 1 A 143 143 GLU H H 143 8.041 8.152 -0.111 1 1 1828 . 9 1 1 A 143 143 GLU HA H 143 4.251 4.525 -0.274 1 1 1833 . 9 1 1 A 143 143 GLU C C 143 177.217 176.205 1.012 1 1 1834 . 9 1 1 A 143 143 GLU CA C 143 57.595 55.588 2.007 1 1 1835 . 9 1 1 A 143 143 GLU CB C 143 29.998 27.856 2.142 1 1 1837 . 9 1 1 A 143 143 GLU N N 143 120.963 120.257 0.706 1 1 1838 . 9 1 1 A 144 144 SER H H 144 8.041 8.397 -0.356 1 1 1839 . 9 1 1 A 144 144 SER HA H 144 4.538 4.727 -0.189 1 1 1842 . 9 1 1 A 144 144 SER C C 144 174.721 173.463 1.258 1 1 1843 . 9 1 1 A 144 144 SER CA C 144 58.801 59.617 -0.816 1 1 1844 . 9 1 1 A 144 144 SER CB C 144 64.126 65.074 -0.948 1 1 1845 . 9 1 1 A 144 144 SER N N 144 114.646 119.260 -4.614 1 1 1846 . 9 1 1 A 145 145 GLY H H 145 7.982 7.745 0.237 1 1 1847 . 9 1 1 A 145 145 GLY HA2 H 145 4.102 4.174 -0.072 1 1 1848 . 9 1 1 A 145 145 GLY HA3 H 145 4.231 4.174 0.057 1 1 1849 . 9 1 1 A 145 145 GLY C C 145 171.800 174.425 -2.625 1 1 1850 . 9 1 1 A 145 145 GLY CA C 145 44.854 43.987 0.867 1 1 1851 . 9 1 1 A 145 145 GLY N N 145 110.299 107.772 2.527 1 1 1852 . 9 1 1 A 146 146 PRO HA H 146 4.510 4.385 0.125 1 1 1859 . 9 1 1 A 146 146 PRO C C 146 177.496 176.547 0.949 1 1 1860 . 9 1 1 A 146 146 PRO CA C 146 63.313 65.016 -1.703 1 1 1861 . 9 1 1 A 146 146 PRO CB C 146 32.177 32.037 0.140 1 1 1864 . 9 1 1 A 147 147 SER H H 147 8.530 7.950 0.580 1 1 1865 . 9 1 1 A 147 147 SER C C 147 174.721 172.694 2.027 1 1 1866 . 9 1 1 A 147 147 SER CA C 147 58.390 57.029 1.361 1 1 1867 . 9 1 1 A 147 147 SER CB C 147 63.803 65.929 -2.126 1 1 1868 . 9 1 1 A 147 147 SER N N 147 116.436 112.324 4.112 1 1 1869 . 9 1 1 A 148 148 SER H H 148 8.348 8.744 -0.396 1 1 1870 . 9 1 1 A 148 148 SER C C 148 173.957 173.701 0.256 1 1 1871 . 9 1 1 A 148 148 SER CA C 148 58.372 57.130 1.242 1 1 1872 . 9 1 1 A 148 148 SER CB C 148 64.008 66.732 -2.724 1 1 1 . 10 1 1 A 8 8 GLN HA H 8 4.221 4.644 -0.423 1 1 8 . 10 1 1 A 8 8 GLN CA C 8 56.851 55.574 1.277 1 1 9 . 10 1 1 A 8 8 GLN CB C 8 28.887 29.377 -0.490 1 1 12 . 10 1 1 A 9 9 GLU H H 9 8.480 8.887 -0.407 1 1 13 . 10 1 1 A 9 9 GLU HA H 9 4.166 5.022 -0.856 1 1 18 . 10 1 1 A 9 9 GLU CA C 9 58.333 54.754 3.579 1 1 19 . 10 1 1 A 9 9 GLU CB C 9 29.545 33.843 -4.298 1 1 21 . 10 1 1 A 9 9 GLU N N 9 121.149 121.263 -0.114 1 1 22 . 10 1 1 A 10 10 ARG H H 10 8.336 8.539 -0.203 1 1 23 . 10 1 1 A 10 10 ARG HA H 10 4.131 4.757 -0.626 1 1 30 . 10 1 1 A 10 10 ARG C C 10 177.350 175.831 1.519 1 1 31 . 10 1 1 A 10 10 ARG CA C 10 57.731 55.241 2.490 1 1 32 . 10 1 1 A 10 10 ARG CB C 10 30.061 31.544 -1.483 1 1 35 . 10 1 1 A 10 10 ARG N N 10 120.177 122.630 -2.453 1 1 36 . 10 1 1 A 11 11 LEU H H 11 7.741 8.747 -1.006 1 1 37 . 10 1 1 A 11 11 LEU HA H 11 4.219 3.999 0.220 1 1 44 . 10 1 1 A 11 11 LEU CA C 11 56.781 57.912 -1.131 1 1 45 . 10 1 1 A 11 11 LEU CB C 11 41.875 42.034 -0.159 1 1 49 . 10 1 1 A 11 11 LEU N N 11 120.410 126.501 -6.091 1 1 50 . 10 1 1 A 12 12 LYS H H 12 7.816 7.862 -0.046 1 1 51 . 10 1 1 A 12 12 LYS HA H 12 4.091 4.289 -0.198 1 1 60 . 10 1 1 A 12 12 LYS CA C 12 58.234 56.657 1.577 1 1 61 . 10 1 1 A 12 12 LYS CB C 12 32.530 32.433 0.097 1 1 65 . 10 1 1 A 12 12 LYS N N 12 119.365 118.286 1.079 1 1 66 . 10 1 1 A 13 13 ILE H H 13 7.851 8.657 -0.806 1 1 67 . 10 1 1 A 13 13 ILE HA H 13 3.951 4.947 -0.996 1 1 77 . 10 1 1 A 13 13 ILE C C 13 176.914 175.170 1.744 1 1 78 . 10 1 1 A 13 13 ILE CA C 13 62.713 60.454 2.259 1 1 79 . 10 1 1 A 13 13 ILE CB C 13 38.264 40.672 -2.408 1 1 83 . 10 1 1 A 14 14 THR H H 14 7.750 9.100 -1.350 1 1 84 . 10 1 1 A 14 14 THR HA H 14 4.021 4.611 -0.590 1 1 88 . 10 1 1 A 14 14 THR C C 14 174.818 174.027 0.791 1 1 89 . 10 1 1 A 14 14 THR CA C 14 63.172 63.195 -0.023 1 1 90 . 10 1 1 A 14 14 THR CB C 14 68.985 71.198 -2.213 1 1 92 . 10 1 1 A 14 14 THR N N 14 110.999 120.168 -9.169 1 1 93 . 10 1 1 A 15 15 ALA H H 15 7.922 7.820 0.102 1 1 94 . 10 1 1 A 15 15 ALA HA H 15 4.141 4.649 -0.508 1 1 98 . 10 1 1 A 15 15 ALA C C 15 177.593 176.733 0.860 1 1 99 . 10 1 1 A 15 15 ALA CA C 15 53.007 50.143 2.864 1 1 100 . 10 1 1 A 15 15 ALA CB C 15 18.747 21.870 -3.123 1 1 101 . 10 1 1 A 15 15 ALA N N 15 122.429 120.487 1.942 1 1 102 . 10 1 1 A 16 16 LEU H H 16 7.442 8.489 -1.047 1 1 103 . 10 1 1 A 16 16 LEU HA H 16 4.653 4.253 0.400 1 1 112 . 10 1 1 A 16 16 LEU C C 16 173.182 174.999 -1.817 1 1 113 . 10 1 1 A 16 16 LEU CA C 16 51.524 53.360 -1.836 1 1 114 . 10 1 1 A 16 16 LEU CB C 16 45.831 42.889 2.942 1 1 118 . 10 1 1 A 16 16 LEU N N 16 120.226 120.300 -0.074 1 1 119 . 10 1 1 A 17 17 PRO HA H 17 4.140 4.615 -0.475 1 1 126 . 10 1 1 A 17 17 PRO C C 17 174.296 176.107 -1.811 1 1 127 . 10 1 1 A 17 17 PRO CA C 17 62.007 62.425 -0.418 1 1 128 . 10 1 1 A 17 17 PRO CB C 17 32.013 32.506 -0.493 1 1 131 . 10 1 1 A 18 18 LEU H H 18 8.071 8.225 -0.154 1 1 132 . 10 1 1 A 18 18 LEU HA H 18 4.097 4.249 -0.152 1 1 142 . 10 1 1 A 18 18 LEU C C 18 176.974 175.766 1.208 1 1 143 . 10 1 1 A 18 18 LEU CA C 18 55.043 55.515 -0.472 1 1 144 . 10 1 1 A 18 18 LEU CB C 18 42.376 42.380 -0.004 1 1 148 . 10 1 1 A 18 18 LEU N N 18 119.963 123.617 -3.654 1 1 149 . 10 1 1 A 19 19 TYR H H 19 9.108 9.008 0.100 1 1 150 . 10 1 1 A 19 19 TYR HA H 19 5.121 4.865 0.256 1 1 157 . 10 1 1 A 19 19 TYR C C 19 174.515 175.801 -1.286 1 1 158 . 10 1 1 A 19 19 TYR CA C 19 55.160 59.180 -4.020 1 1 159 . 10 1 1 A 19 19 TYR CB C 19 39.292 41.106 -1.814 1 1 164 . 10 1 1 A 19 19 TYR N N 19 127.955 123.846 4.109 1 1 165 . 10 1 1 A 20 20 PHE H H 20 7.560 7.556 0.004 1 1 166 . 10 1 1 A 20 20 PHE HA H 20 4.281 4.463 -0.182 1 1 174 . 10 1 1 A 20 20 PHE C C 20 171.170 172.927 -1.757 1 1 175 . 10 1 1 A 20 20 PHE CA C 20 57.031 57.756 -0.725 1 1 176 . 10 1 1 A 20 20 PHE CB C 20 40.937 41.529 -0.592 1 1 182 . 10 1 1 A 20 20 PHE N N 20 115.328 116.725 -1.397 1 1 183 . 10 1 1 A 21 21 GLU H H 21 5.556 8.078 -2.522 1 1 184 . 10 1 1 A 21 21 GLU HA H 21 5.191 5.008 0.183 1 1 189 . 10 1 1 A 21 21 GLU C C 21 173.024 174.277 -1.253 1 1 190 . 10 1 1 A 21 21 GLU CA C 21 53.025 54.136 -1.111 1 1 191 . 10 1 1 A 21 21 GLU CB C 21 31.760 32.803 -1.043 1 1 193 . 10 1 1 A 21 21 GLU N N 21 118.643 122.411 -3.768 1 1 194 . 10 1 1 A 22 22 GLY H H 22 7.721 7.767 -0.046 1 1 195 . 10 1 1 A 22 22 GLY HA2 H 22 4.024 4.120 -0.096 1 1 196 . 10 1 1 A 22 22 GLY HA3 H 22 3.107 4.124 -1.017 1 1 197 . 10 1 1 A 22 22 GLY C C 22 171.994 172.143 -0.149 1 1 198 . 10 1 1 A 22 22 GLY CA C 22 45.013 45.819 -0.806 1 1 199 . 10 1 1 A 22 22 GLY N N 22 106.155 106.870 -0.715 1 1 200 . 10 1 1 A 23 23 PHE H H 23 8.881 8.558 0.323 1 1 201 . 10 1 1 A 23 23 PHE HA H 23 5.303 4.584 0.719 1 1 209 . 10 1 1 A 23 23 PHE C C 23 176.926 175.274 1.652 1 1 210 . 10 1 1 A 23 23 PHE CA C 23 60.013 59.720 0.293 1 1 211 . 10 1 1 A 23 23 PHE CB C 23 40.937 39.234 1.703 1 1 217 . 10 1 1 A 23 23 PHE N N 23 119.442 121.452 -2.010 1 1 218 . 10 1 1 A 24 24 LEU H H 24 9.072 8.553 0.519 1 1 219 . 10 1 1 A 24 24 LEU HA H 24 4.562 4.959 -0.397 1 1 229 . 10 1 1 A 24 24 LEU C C 24 174.406 174.552 -0.146 1 1 230 . 10 1 1 A 24 24 LEU CA C 24 54.437 53.749 0.688 1 1 231 . 10 1 1 A 24 24 LEU CB C 24 48.381 44.470 3.911 1 1 235 . 10 1 1 A 24 24 LEU N N 24 122.488 126.283 -3.795 1 1 236 . 10 1 1 A 25 25 LEU H H 25 8.120 8.352 -0.232 1 1 237 . 10 1 1 A 25 25 LEU HA H 25 5.480 5.421 0.059 1 1 247 . 10 1 1 A 25 25 LEU C C 25 176.175 175.878 0.297 1 1 248 . 10 1 1 A 25 25 LEU CA C 25 54.242 53.289 0.953 1 1 249 . 10 1 1 A 25 25 LEU CB C 25 42.576 42.744 -0.168 1 1 253 . 10 1 1 A 25 25 LEU N N 25 120.790 126.009 -5.219 1 1 254 . 10 1 1 A 26 26 ILE H H 26 9.110 9.058 0.052 1 1 255 . 10 1 1 A 26 26 ILE HA H 26 5.232 4.662 0.570 1 1 265 . 10 1 1 A 26 26 ILE C C 26 174.757 175.157 -0.400 1 1 266 . 10 1 1 A 26 26 ILE CA C 26 57.613 59.990 -2.377 1 1 267 . 10 1 1 A 26 26 ILE CB C 26 41.343 40.331 1.012 1 1 271 . 10 1 1 A 26 26 ILE N N 26 120.679 124.893 -4.214 1 1 272 . 10 1 1 A 27 27 LYS H H 27 9.150 8.674 0.476 1 1 273 . 10 1 1 A 27 27 LYS HA H 27 4.425 4.516 -0.091 1 1 282 . 10 1 1 A 27 27 LYS C C 27 175.557 175.119 0.438 1 1 283 . 10 1 1 A 27 27 LYS CA C 27 56.095 54.605 1.490 1 1 284 . 10 1 1 A 27 27 LYS CB C 27 35.056 32.127 2.929 1 1 288 . 10 1 1 A 27 27 LYS N N 27 127.778 128.590 -0.812 1 1 289 . 10 1 1 A 28 28 ARG H H 28 5.868 6.363 -0.495 1 1 290 . 10 1 1 A 28 28 ARG HA H 28 4.429 4.000 0.429 1 1 298 . 10 1 1 A 28 28 ARG C C 28 176.078 176.171 -0.093 1 1 299 . 10 1 1 A 28 28 ARG CA C 28 54.542 55.942 -1.400 1 1 300 . 10 1 1 A 28 28 ARG CB C 28 31.602 30.733 0.869 1 1 303 . 10 1 1 A 28 28 ARG N N 28 124.548 123.199 1.349 1 1 305 . 10 1 1 A 29 29 SER H H 29 9.067 8.506 0.561 1 1 306 . 10 1 1 A 29 29 SER HA H 29 4.181 4.290 -0.109 1 1 309 . 10 1 1 A 29 29 SER C C 29 176.066 175.042 1.024 1 1 310 . 10 1 1 A 29 29 SER CA C 29 61.019 59.462 1.557 1 1 311 . 10 1 1 A 29 29 SER CB C 29 63.057 62.965 0.092 1 1 312 . 10 1 1 A 29 29 SER N N 29 116.823 117.370 -0.547 1 1 313 . 10 1 1 A 30 30 GLY HA2 H 30 3.810 4.024 -0.214 1 1 314 . 10 1 1 A 30 30 GLY HA3 H 30 4.172 4.049 0.123 1 1 315 . 10 1 1 A 30 30 GLY CA C 30 45.171 45.314 -0.143 1 1 316 . 10 1 1 A 31 31 TYR H H 31 8.001 7.424 0.577 1 1 317 . 10 1 1 A 31 31 TYR HA H 31 4.729 4.620 0.109 1 1 324 . 10 1 1 A 31 31 TYR CB C 31 37.249 38.423 -1.174 1 1 329 . 10 1 1 A 31 31 TYR N N 31 121.120 119.927 1.193 1 1 330 . 10 1 1 A 32 32 ARG HA H 32 4.204 4.053 0.151 1 1 337 . 10 1 1 A 32 32 ARG C C 32 176.066 175.959 0.107 1 1 338 . 10 1 1 A 32 32 ARG CA C 32 57.631 58.612 -0.981 1 1 339 . 10 1 1 A 32 32 ARG CB C 32 30.861 30.342 0.519 1 1 342 . 10 1 1 A 33 33 GLU H H 33 7.700 7.640 0.060 1 1 343 . 10 1 1 A 33 33 GLU HA H 33 4.600 4.489 0.111 1 1 348 . 10 1 1 A 33 33 GLU C C 33 175.569 174.836 0.733 1 1 349 . 10 1 1 A 33 33 GLU CA C 33 53.695 55.515 -1.820 1 1 350 . 10 1 1 A 33 33 GLU CB C 33 33.000 31.683 1.317 1 1 352 . 10 1 1 A 33 33 GLU N N 33 115.988 114.045 1.943 1 1 353 . 10 1 1 A 34 34 TYR H H 34 8.755 8.528 0.227 1 1 354 . 10 1 1 A 34 34 TYR HA H 34 4.311 4.566 -0.255 1 1 361 . 10 1 1 A 34 34 TYR C C 34 176.999 175.725 1.274 1 1 362 . 10 1 1 A 34 34 TYR CA C 34 59.537 59.698 -0.161 1 1 363 . 10 1 1 A 34 34 TYR CB C 34 39.744 39.066 0.678 1 1 368 . 10 1 1 A 34 34 TYR N N 34 118.663 121.945 -3.282 1 1 369 . 10 1 1 A 35 35 GLU H H 35 9.024 9.034 -0.010 1 1 370 . 10 1 1 A 35 35 GLU HA H 35 4.401 4.823 -0.422 1 1 375 . 10 1 1 A 35 35 GLU C C 35 174.406 175.480 -1.074 1 1 376 . 10 1 1 A 35 35 GLU CA C 35 54.330 55.206 -0.876 1 1 377 . 10 1 1 A 35 35 GLU CB C 35 31.972 32.305 -0.333 1 1 379 . 10 1 1 A 35 35 GLU N N 35 122.488 124.154 -1.666 1 1 380 . 10 1 1 A 36 36 HIS H H 36 8.639 8.991 -0.352 1 1 381 . 10 1 1 A 36 36 HIS HA H 36 4.980 5.283 -0.303 1 1 386 . 10 1 1 A 36 36 HIS C C 36 174.127 174.273 -0.146 1 1 387 . 10 1 1 A 36 36 HIS CA C 36 55.607 54.445 1.162 1 1 388 . 10 1 1 A 36 36 HIS CB C 36 31.396 30.937 0.459 1 1 391 . 10 1 1 A 36 36 HIS N N 36 123.767 120.582 3.185 1 1 392 . 10 1 1 A 37 37 TYR H H 37 8.931 8.904 0.027 1 1 393 . 10 1 1 A 37 37 TYR HA H 37 5.668 5.011 0.657 1 1 400 . 10 1 1 A 37 37 TYR C C 37 177.969 175.008 2.961 1 1 401 . 10 1 1 A 37 37 TYR CA C 37 55.407 56.996 -1.589 1 1 402 . 10 1 1 A 37 37 TYR CB C 37 42.089 42.465 -0.376 1 1 407 . 10 1 1 A 37 37 TYR N N 37 124.075 121.298 2.777 1 1 408 . 10 1 1 A 38 38 TRP H H 38 8.931 9.886 -0.955 1 1 409 . 10 1 1 A 38 38 TRP HA H 38 4.329 5.037 -0.708 1 1 418 . 10 1 1 A 38 38 TRP C C 38 174.345 175.514 -1.169 1 1 419 . 10 1 1 A 38 38 TRP CA C 38 58.230 56.874 1.356 1 1 420 . 10 1 1 A 38 38 TRP CB C 38 28.846 29.455 -0.609 1 1 426 . 10 1 1 A 38 38 TRP N N 38 125.317 126.682 -1.365 1 1 428 . 10 1 1 A 39 39 THR H H 39 8.366 8.701 -0.335 1 1 429 . 10 1 1 A 39 39 THR HA H 39 5.535 5.019 0.516 1 1 434 . 10 1 1 A 39 39 THR C C 39 173.303 173.993 -0.690 1 1 435 . 10 1 1 A 39 39 THR CA C 39 62.037 63.022 -0.985 1 1 436 . 10 1 1 A 39 39 THR CB C 39 70.295 69.974 0.321 1 1 438 . 10 1 1 A 39 39 THR N N 39 127.024 122.971 4.053 1 1 439 . 10 1 1 A 40 40 GLU H H 40 8.902 9.833 -0.931 1 1 440 . 10 1 1 A 40 40 GLU HA H 40 4.816 4.747 0.069 1 1 445 . 10 1 1 A 40 40 GLU C C 40 175.351 174.800 0.551 1 1 446 . 10 1 1 A 40 40 GLU CA C 40 53.607 54.945 -1.338 1 1 447 . 10 1 1 A 40 40 GLU CB C 40 34.639 32.258 2.381 1 1 449 . 10 1 1 A 40 40 GLU N N 40 120.613 125.473 -4.860 1 1 450 . 10 1 1 A 41 41 LEU H H 41 8.910 9.009 -0.099 1 1 451 . 10 1 1 A 41 41 LEU HA H 41 5.168 5.126 0.042 1 1 461 . 10 1 1 A 41 41 LEU C C 41 174.806 175.392 -0.586 1 1 462 . 10 1 1 A 41 41 LEU CA C 41 53.872 54.534 -0.662 1 1 463 . 10 1 1 A 41 41 LEU CB C 41 43.610 43.457 0.153 1 1 467 . 10 1 1 A 41 41 LEU N N 41 123.682 127.957 -4.275 1 1 468 . 10 1 1 A 42 42 ARG H H 42 9.150 8.791 0.359 1 1 469 . 10 1 1 A 42 42 ARG HA H 42 5.182 4.310 0.872 1 1 474 . 10 1 1 A 42 42 ARG C C 42 176.272 176.293 -0.021 1 1 475 . 10 1 1 A 42 42 ARG CA C 42 53.643 54.879 -1.236 1 1 476 . 10 1 1 A 42 42 ARG CB C 42 33.205 33.314 -0.109 1 1 479 . 10 1 1 A 42 42 ARG N N 42 127.645 125.160 2.485 1 1 480 . 10 1 1 A 43 43 GLY H H 43 6.304 7.865 -1.561 1 1 481 . 10 1 1 A 43 43 GLY HA2 H 43 3.917 3.927 -0.010 1 1 482 . 10 1 1 A 43 43 GLY HA3 H 43 3.812 4.112 -0.300 1 1 483 . 10 1 1 A 43 43 GLY C C 43 171.630 174.719 -3.089 1 1 484 . 10 1 1 A 43 43 GLY CA C 43 47.025 47.415 -0.390 1 1 485 . 10 1 1 A 43 43 GLY N N 43 112.565 113.502 -0.937 1 1 486 . 10 1 1 A 44 44 THR H H 44 7.841 8.485 -0.644 1 1 487 . 10 1 1 A 44 44 THR HA H 44 4.313 4.701 -0.388 1 1 492 . 10 1 1 A 44 44 THR C C 44 172.515 173.615 -1.100 1 1 493 . 10 1 1 A 44 44 THR CA C 44 60.207 60.853 -0.646 1 1 494 . 10 1 1 A 44 44 THR CB C 44 68.320 70.010 -1.690 1 1 496 . 10 1 1 A 44 44 THR N N 44 111.769 118.012 -6.243 1 1 497 . 10 1 1 A 45 45 THR H H 45 8.500 7.767 0.733 1 1 498 . 10 1 1 A 45 45 THR HA H 45 4.664 4.790 -0.126 1 1 503 . 10 1 1 A 45 45 THR C C 45 172.224 173.426 -1.202 1 1 504 . 10 1 1 A 45 45 THR CA C 45 62.413 61.720 0.693 1 1 505 . 10 1 1 A 45 45 THR CB C 45 69.848 70.819 -0.971 1 1 507 . 10 1 1 A 45 45 THR N N 45 118.681 116.962 1.719 1 1 508 . 10 1 1 A 46 46 LEU H H 46 8.391 8.813 -0.422 1 1 509 . 10 1 1 A 46 46 LEU HA H 46 4.892 4.410 0.482 1 1 519 . 10 1 1 A 46 46 LEU C C 46 174.260 175.687 -1.427 1 1 520 . 10 1 1 A 46 46 LEU CA C 46 52.654 54.332 -1.678 1 1 521 . 10 1 1 A 46 46 LEU CB C 46 42.911 42.425 0.486 1 1 525 . 10 1 1 A 46 46 LEU N N 46 125.559 128.045 -2.486 1 1 526 . 10 1 1 A 47 47 PHE H H 47 9.131 9.133 -0.002 1 1 527 . 10 1 1 A 47 47 PHE HA H 47 3.940 4.688 -0.748 1 1 535 . 10 1 1 A 47 47 PHE C C 47 173.363 174.275 -0.912 1 1 536 . 10 1 1 A 47 47 PHE CA C 47 57.454 55.943 1.511 1 1 537 . 10 1 1 A 47 47 PHE CB C 47 42.747 41.629 1.118 1 1 543 . 10 1 1 A 47 47 PHE N N 47 121.095 122.118 -1.023 1 1 544 . 10 1 1 A 48 48 PHE H H 48 7.881 9.436 -1.555 1 1 545 . 10 1 1 A 48 48 PHE HA H 48 5.021 5.438 -0.417 1 1 553 . 10 1 1 A 48 48 PHE C C 48 173.727 174.233 -0.506 1 1 554 . 10 1 1 A 48 48 PHE CA C 48 56.166 55.772 0.394 1 1 555 . 10 1 1 A 48 48 PHE CB C 48 39.169 41.175 -2.006 1 1 561 . 10 1 1 A 48 48 PHE N N 48 120.063 122.631 -2.568 1 1 562 . 10 1 1 A 49 49 TYR H H 49 9.972 9.338 0.634 1 1 563 . 10 1 1 A 49 49 TYR HA H 49 5.190 5.228 -0.038 1 1 570 . 10 1 1 A 49 49 TYR C C 49 176.587 176.434 0.153 1 1 571 . 10 1 1 A 49 49 TYR CA C 49 56.254 56.727 -0.473 1 1 572 . 10 1 1 A 49 49 TYR CB C 49 41.842 41.526 0.316 1 1 577 . 10 1 1 A 49 49 TYR N N 49 121.415 121.162 0.253 1 1 578 . 10 1 1 A 50 50 THR H H 50 9.511 8.902 0.609 1 1 579 . 10 1 1 A 50 50 THR HA H 50 4.571 4.573 -0.002 1 1 584 . 10 1 1 A 50 50 THR C C 50 174.793 174.450 0.343 1 1 585 . 10 1 1 A 50 50 THR CA C 50 65.361 64.238 1.123 1 1 586 . 10 1 1 A 50 50 THR CB C 50 69.043 69.188 -0.145 1 1 588 . 10 1 1 A 50 50 THR N N 50 114.446 118.009 -3.563 1 1 589 . 10 1 1 A 51 51 ASP H H 51 7.828 7.883 -0.055 1 1 590 . 10 1 1 A 51 51 ASP HA H 51 4.803 5.143 -0.340 1 1 593 . 10 1 1 A 51 51 ASP C C 51 174.685 175.985 -1.300 1 1 594 . 10 1 1 A 51 51 ASP CA C 51 53.254 53.388 -0.134 1 1 595 . 10 1 1 A 51 51 ASP CB C 51 43.586 44.629 -1.043 1 1 596 . 10 1 1 A 51 51 ASP N N 51 115.656 120.186 -4.530 1 1 597 . 10 1 1 A 52 52 LYS H H 52 8.271 8.933 -0.662 1 1 598 . 10 1 1 A 52 52 LYS HA H 52 2.800 3.735 -0.935 1 1 607 . 10 1 1 A 52 52 LYS C C 52 176.671 178.235 -1.564 1 1 608 . 10 1 1 A 52 52 LYS CA C 52 58.372 59.929 -1.557 1 1 609 . 10 1 1 A 52 52 LYS CB C 52 32.178 31.695 0.483 1 1 613 . 10 1 1 A 52 52 LYS N N 52 119.009 123.732 -4.723 1 1 614 . 10 1 1 A 53 53 LYS H H 53 8.068 8.016 0.052 1 1 615 . 10 1 1 A 53 53 LYS HA H 53 4.109 3.998 0.111 1 1 624 . 10 1 1 A 53 53 LYS C C 53 176.950 177.643 -0.693 1 1 625 . 10 1 1 A 53 53 LYS CA C 53 55.830 59.391 -3.561 1 1 626 . 10 1 1 A 53 53 LYS CB C 53 32.301 31.994 0.307 1 1 630 . 10 1 1 A 53 53 LYS N N 53 116.395 120.031 -3.636 1 1 631 . 10 1 1 A 54 54 SER H H 54 7.549 8.290 -0.741 1 1 632 . 10 1 1 A 54 54 SER HA H 54 4.316 4.404 -0.088 1 1 635 . 10 1 1 A 54 54 SER C C 54 174.394 174.484 -0.090 1 1 636 . 10 1 1 A 54 54 SER CA C 54 59.395 60.825 -1.430 1 1 637 . 10 1 1 A 54 54 SER CB C 54 64.337 63.816 0.521 1 1 638 . 10 1 1 A 54 54 SER N N 54 116.653 115.108 1.545 1 1 639 . 10 1 1 A 55 55 ILE H H 55 8.424 9.009 -0.585 1 1 640 . 10 1 1 A 55 55 ILE HA H 55 4.267 4.166 0.101 1 1 650 . 10 1 1 A 55 55 ILE C C 55 174.999 176.234 -1.235 1 1 651 . 10 1 1 A 55 55 ILE CA C 55 62.213 63.542 -1.329 1 1 652 . 10 1 1 A 55 55 ILE CB C 55 38.728 38.743 -0.015 1 1 656 . 10 1 1 A 55 55 ILE N N 55 118.660 127.250 -8.590 1 1 657 . 10 1 1 A 56 56 ILE H H 56 7.771 7.479 0.292 1 1 658 . 10 1 1 A 56 56 ILE HA H 56 4.561 4.882 -0.321 1 1 668 . 10 1 1 A 56 56 ILE C C 56 175.266 175.132 0.134 1 1 669 . 10 1 1 A 56 56 ILE CA C 56 59.342 59.670 -0.328 1 1 670 . 10 1 1 A 56 56 ILE CB C 56 39.506 40.050 -0.544 1 1 674 . 10 1 1 A 56 56 ILE N N 56 119.568 117.703 1.865 1 1 675 . 10 1 1 A 57 57 TYR H H 57 7.251 8.865 -1.614 1 1 676 . 10 1 1 A 57 57 TYR HA H 57 4.261 3.546 0.715 1 1 683 . 10 1 1 A 57 57 TYR C C 57 174.902 176.323 -1.421 1 1 684 . 10 1 1 A 57 57 TYR CA C 57 56.201 57.197 -0.996 1 1 685 . 10 1 1 A 57 57 TYR CB C 57 37.230 38.779 -1.549 1 1 690 . 10 1 1 A 58 58 VAL H H 58 9.157 8.232 0.925 1 1 691 . 10 1 1 A 58 58 VAL HA H 58 4.251 3.862 0.389 1 1 699 . 10 1 1 A 58 58 VAL C C 58 175.812 174.970 0.842 1 1 700 . 10 1 1 A 58 58 VAL CA C 58 62.360 64.829 -2.469 1 1 701 . 10 1 1 A 58 58 VAL CB C 58 33.123 32.306 0.817 1 1 704 . 10 1 1 A 58 58 VAL N N 58 116.888 121.827 -4.939 1 1 705 . 10 1 1 A 59 59 ASP H H 59 7.990 7.492 0.498 1 1 706 . 10 1 1 A 59 59 ASP HA H 59 4.970 5.263 -0.293 1 1 709 . 10 1 1 A 59 59 ASP C C 59 172.346 173.861 -1.515 1 1 710 . 10 1 1 A 59 59 ASP CA C 59 52.601 53.367 -0.766 1 1 711 . 10 1 1 A 59 59 ASP CB C 59 42.952 44.639 -1.687 1 1 712 . 10 1 1 A 59 59 ASP N N 59 117.301 118.871 -1.570 1 1 713 . 10 1 1 A 60 60 LYS H H 60 8.991 8.821 0.170 1 1 714 . 10 1 1 A 60 60 LYS HA H 60 4.761 4.920 -0.159 1 1 723 . 10 1 1 A 60 60 LYS C C 60 173.666 174.733 -1.067 1 1 724 . 10 1 1 A 60 60 LYS CA C 60 54.718 53.775 0.943 1 1 725 . 10 1 1 A 60 60 LYS CB C 60 35.097 36.047 -0.950 1 1 729 . 10 1 1 A 60 60 LYS N N 60 118.648 118.328 0.320 1 1 730 . 10 1 1 A 61 61 LEU H H 61 8.702 8.698 0.004 1 1 731 . 10 1 1 A 61 61 LEU HA H 61 4.462 4.977 -0.515 1 1 741 . 10 1 1 A 61 61 LEU C C 61 173.630 174.855 -1.225 1 1 742 . 10 1 1 A 61 61 LEU CA C 61 54.065 53.403 0.662 1 1 743 . 10 1 1 A 61 61 LEU CB C 61 47.032 46.550 0.482 1 1 747 . 10 1 1 A 61 61 LEU N N 61 121.890 121.054 0.836 1 1 748 . 10 1 1 A 62 62 ASP H H 62 8.868 8.808 0.060 1 1 749 . 10 1 1 A 62 62 ASP HA H 62 4.841 5.158 -0.317 1 1 752 . 10 1 1 A 62 62 ASP C C 62 178.029 175.559 2.470 1 1 753 . 10 1 1 A 62 62 ASP CA C 62 53.819 52.716 1.103 1 1 754 . 10 1 1 A 62 62 ASP CB C 62 40.772 44.058 -3.286 1 1 755 . 10 1 1 A 62 62 ASP N N 62 128.697 120.758 7.939 1 1 756 . 10 1 1 A 63 63 ILE H H 63 9.261 7.906 1.355 1 1 757 . 10 1 1 A 63 63 ILE HA H 63 4.554 4.587 -0.033 1 1 767 . 10 1 1 A 63 63 ILE C C 63 175.617 176.965 -1.348 1 1 768 . 10 1 1 A 63 63 ILE CA C 63 60.736 60.264 0.472 1 1 769 . 10 1 1 A 63 63 ILE CB C 63 38.364 37.816 0.548 1 1 773 . 10 1 1 A 63 63 ILE N N 63 120.253 120.848 -0.595 1 1 774 . 10 1 1 A 64 64 VAL H H 64 8.010 7.657 0.353 1 1 775 . 10 1 1 A 64 64 VAL HA H 64 3.781 3.885 -0.104 1 1 783 . 10 1 1 A 64 64 VAL C C 64 174.878 177.454 -2.576 1 1 784 . 10 1 1 A 64 64 VAL CA C 64 65.572 64.703 0.869 1 1 785 . 10 1 1 A 64 64 VAL CB C 64 30.532 31.641 -1.109 1 1 788 . 10 1 1 A 64 64 VAL N N 64 122.413 122.682 -0.269 1 1 789 . 10 1 1 A 65 65 ASP H H 65 8.391 7.566 0.825 1 1 790 . 10 1 1 A 65 65 ASP HA H 65 4.841 4.684 0.157 1 1 793 . 10 1 1 A 65 65 ASP C C 65 174.854 176.063 -1.209 1 1 794 . 10 1 1 A 65 65 ASP CA C 65 53.483 53.747 -0.264 1 1 795 . 10 1 1 A 65 65 ASP CB C 65 40.114 41.208 -1.094 1 1 796 . 10 1 1 A 65 65 ASP N N 65 119.308 119.495 -0.187 1 1 797 . 10 1 1 A 66 66 LEU H H 66 7.517 7.033 0.484 1 1 798 . 10 1 1 A 66 66 LEU HA H 66 3.962 4.214 -0.252 1 1 808 . 10 1 1 A 66 66 LEU C C 66 176.708 177.288 -0.580 1 1 809 . 10 1 1 A 66 66 LEU CA C 66 57.471 56.370 1.101 1 1 810 . 10 1 1 A 66 66 LEU CB C 66 43.322 42.746 0.576 1 1 814 . 10 1 1 A 66 66 LEU N N 66 120.009 123.218 -3.209 1 1 815 . 10 1 1 A 67 67 THR H H 67 9.329 9.849 -0.520 1 1 816 . 10 1 1 A 67 67 THR HA H 67 4.363 4.343 0.020 1 1 821 . 10 1 1 A 67 67 THR C C 67 175.145 174.170 0.975 1 1 822 . 10 1 1 A 67 67 THR CA C 67 64.019 63.595 0.424 1 1 823 . 10 1 1 A 67 67 THR CB C 67 69.107 69.265 -0.158 1 1 825 . 10 1 1 A 67 67 THR N N 67 123.534 121.038 2.496 1 1 826 . 10 1 1 A 68 68 CYS H H 68 7.584 7.085 0.499 1 1 827 . 10 1 1 A 68 68 CYS HA H 68 4.604 4.701 -0.097 1 1 830 . 10 1 1 A 68 68 CYS C C 68 170.528 172.339 -1.811 1 1 831 . 10 1 1 A 68 68 CYS CA C 68 57.402 58.544 -1.142 1 1 832 . 10 1 1 A 68 68 CYS CB C 68 29.175 30.970 -1.795 1 1 833 . 10 1 1 A 68 68 CYS N N 68 115.015 116.069 -1.054 1 1 834 . 10 1 1 A 69 69 LEU H H 69 8.730 8.678 0.052 1 1 835 . 10 1 1 A 69 69 LEU HA H 69 5.411 5.043 0.368 1 1 845 . 10 1 1 A 69 69 LEU C C 69 176.356 175.819 0.537 1 1 846 . 10 1 1 A 69 69 LEU CA C 69 54.242 54.109 0.133 1 1 847 . 10 1 1 A 69 69 LEU CB C 69 44.885 45.643 -0.758 1 1 851 . 10 1 1 A 69 69 LEU N N 69 125.633 122.797 2.836 1 1 852 . 10 1 1 A 70 70 THR H H 70 9.197 8.610 0.587 1 1 853 . 10 1 1 A 70 70 THR HA H 70 4.702 5.207 -0.505 1 1 858 . 10 1 1 A 70 70 THR C C 70 173.582 173.546 0.036 1 1 859 . 10 1 1 A 70 70 THR CA C 70 60.384 59.931 0.453 1 1 860 . 10 1 1 A 70 70 THR CB C 70 70.870 71.313 -0.443 1 1 862 . 10 1 1 A 70 70 THR N N 70 120.391 117.878 2.513 1 1 863 . 10 1 1 A 71 71 GLU H H 71 8.965 8.900 0.065 1 1 864 . 10 1 1 A 71 71 GLU HA H 71 4.685 5.349 -0.664 1 1 869 . 10 1 1 A 71 71 GLU C C 71 175.957 175.618 0.339 1 1 870 . 10 1 1 A 71 71 GLU CA C 71 56.254 54.734 1.520 1 1 871 . 10 1 1 A 71 71 GLU CB C 71 31.396 32.176 -0.780 1 1 873 . 10 1 1 A 71 71 GLU N N 71 124.718 120.172 4.546 1 1 874 . 10 1 1 A 72 72 GLN H H 72 8.318 8.784 -0.466 1 1 875 . 10 1 1 A 72 72 GLN HA H 72 4.629 4.450 0.179 1 1 882 . 10 1 1 A 72 72 GLN C C 72 175.254 176.081 -0.827 1 1 883 . 10 1 1 A 72 72 GLN CA C 72 55.336 55.619 -0.283 1 1 884 . 10 1 1 A 72 72 GLN CB C 72 30.533 29.489 1.044 1 1 886 . 10 1 1 A 72 72 GLN N N 72 123.543 123.140 0.403 1 1 888 . 10 1 1 A 73 73 ASN H H 73 8.670 8.905 -0.235 1 1 889 . 10 1 1 A 73 73 ASN HA H 73 4.688 4.355 0.333 1 1 894 . 10 1 1 A 73 73 ASN C C 73 175.229 174.366 0.863 1 1 895 . 10 1 1 A 73 73 ASN CA C 73 53.607 54.156 -0.549 1 1 896 . 10 1 1 A 73 73 ASN CB C 73 39.169 37.051 2.118 1 1 897 . 10 1 1 A 73 73 ASN N N 73 120.534 118.244 2.290 1 1 899 . 10 1 1 A 74 74 SER H H 74 8.641 8.135 0.506 1 1 900 . 10 1 1 A 74 74 SER HA H 74 4.652 4.680 -0.028 1 1 903 . 10 1 1 A 74 74 SER C C 74 175.121 174.346 0.775 1 1 904 . 10 1 1 A 74 74 SER CA C 74 58.409 58.538 -0.129 1 1 905 . 10 1 1 A 74 74 SER CB C 74 64.401 62.923 1.478 1 1 906 . 10 1 1 A 74 74 SER N N 74 117.448 117.556 -0.108 1 1 907 . 10 1 1 A 75 75 THR HA H 75 4.282 4.002 0.280 1 1 912 . 10 1 1 A 75 75 THR C C 75 174.878 173.172 1.706 1 1 913 . 10 1 1 A 75 75 THR CA C 75 62.819 62.203 0.616 1 1 914 . 10 1 1 A 75 75 THR CB C 75 69.061 67.552 1.509 1 1 916 . 10 1 1 A 76 76 GLU H H 76 8.156 8.060 0.096 1 1 917 . 10 1 1 A 76 76 GLU HA H 76 4.350 4.532 -0.182 1 1 922 . 10 1 1 A 76 76 GLU C C 76 176.138 175.133 1.005 1 1 923 . 10 1 1 A 76 76 GLU CA C 76 56.202 56.187 0.015 1 1 924 . 10 1 1 A 76 76 GLU CB C 76 30.532 32.859 -2.327 1 1 926 . 10 1 1 A 76 76 GLU N N 76 122.220 125.011 -2.791 1 1 927 . 10 1 1 A 77 77 LYS H H 77 8.443 8.902 -0.459 1 1 928 . 10 1 1 A 77 77 LYS HA H 77 4.221 4.378 -0.157 1 1 937 . 10 1 1 A 77 77 LYS C C 77 176.465 175.205 1.260 1 1 938 . 10 1 1 A 77 77 LYS CA C 77 56.730 57.021 -0.291 1 1 939 . 10 1 1 A 77 77 LYS CB C 77 32.301 31.759 0.542 1 1 943 . 10 1 1 A 77 77 LYS N N 77 122.162 123.642 -1.480 1 1 944 . 10 1 1 A 78 78 ASN H H 78 8.621 8.917 -0.296 1 1 945 . 10 1 1 A 78 78 ASN HA H 78 4.641 5.059 -0.418 1 1 950 . 10 1 1 A 78 78 ASN C C 78 173.485 174.382 -0.897 1 1 951 . 10 1 1 A 78 78 ASN CA C 78 53.748 53.020 0.728 1 1 952 . 10 1 1 A 78 78 ASN CB C 78 38.058 37.448 0.610 1 1 953 . 10 1 1 A 78 78 ASN N N 78 116.583 122.902 -6.319 1 1 955 . 10 1 1 A 79 79 CYS H H 79 7.551 8.517 -0.966 1 1 956 . 10 1 1 A 79 79 CYS HA H 79 4.371 4.857 -0.486 1 1 959 . 10 1 1 A 79 79 CYS C C 79 172.515 172.806 -0.291 1 1 960 . 10 1 1 A 79 79 CYS CA C 79 57.295 58.426 -1.131 1 1 961 . 10 1 1 A 79 79 CYS CB C 79 29.628 31.351 -1.723 1 1 962 . 10 1 1 A 79 79 CYS N N 79 112.640 122.550 -9.910 1 1 963 . 10 1 1 A 80 80 ALA H H 80 7.642 8.632 -0.990 1 1 964 . 10 1 1 A 80 80 ALA HA H 80 4.727 5.239 -0.512 1 1 968 . 10 1 1 A 80 80 ALA C C 80 175.314 175.790 -0.476 1 1 969 . 10 1 1 A 80 80 ALA CA C 80 51.330 50.390 0.940 1 1 970 . 10 1 1 A 80 80 ALA CB C 80 21.896 22.072 -0.176 1 1 971 . 10 1 1 A 80 80 ALA N N 80 124.099 124.278 -0.179 1 1 972 . 10 1 1 A 81 81 LYS H H 81 8.459 8.709 -0.250 1 1 973 . 10 1 1 A 81 81 LYS HA H 81 5.112 4.778 0.334 1 1 982 . 10 1 1 A 81 81 LYS C C 81 174.781 174.971 -0.190 1 1 983 . 10 1 1 A 81 81 LYS CA C 81 55.283 54.429 0.854 1 1 984 . 10 1 1 A 81 81 LYS CB C 81 36.133 35.453 0.680 1 1 988 . 10 1 1 A 81 81 LYS N N 81 119.796 122.717 -2.921 1 1 989 . 10 1 1 A 82 82 PHE H H 82 8.748 8.196 0.552 1 1 990 . 10 1 1 A 82 82 PHE HA H 82 5.513 5.938 -0.425 1 1 998 . 10 1 1 A 82 82 PHE C C 82 174.357 172.703 1.654 1 1 999 . 10 1 1 A 82 82 PHE CA C 82 55.643 55.864 -0.221 1 1 1000 . 10 1 1 A 82 82 PHE CB C 82 42.089 42.556 -0.467 1 1 1006 . 10 1 1 A 82 82 PHE N N 82 119.073 119.767 -0.694 1 1 1007 . 10 1 1 A 83 83 THR H H 83 9.290 8.446 0.844 1 1 1008 . 10 1 1 A 83 83 THR HA H 83 5.032 5.188 -0.156 1 1 1013 . 10 1 1 A 83 83 THR C C 83 173.472 174.390 -0.918 1 1 1014 . 10 1 1 A 83 83 THR CA C 83 62.113 61.616 0.497 1 1 1015 . 10 1 1 A 83 83 THR CB C 83 71.076 70.282 0.794 1 1 1017 . 10 1 1 A 83 83 THR N N 83 116.845 115.727 1.118 1 1 1018 . 10 1 1 A 84 84 LEU H H 84 9.502 9.042 0.460 1 1 1019 . 10 1 1 A 84 84 LEU HA H 84 4.691 4.420 0.271 1 1 1029 . 10 1 1 A 84 84 LEU C C 84 174.308 176.416 -2.108 1 1 1030 . 10 1 1 A 84 84 LEU CA C 84 54.224 54.933 -0.709 1 1 1031 . 10 1 1 A 84 84 LEU CB C 84 41.636 41.100 0.536 1 1 1035 . 10 1 1 A 84 84 LEU N N 84 125.923 128.705 -2.782 1 1 1036 . 10 1 1 A 85 85 VAL H H 85 8.620 8.600 0.020 1 1 1037 . 10 1 1 A 85 85 VAL HA H 85 4.151 4.203 -0.052 1 1 1045 . 10 1 1 A 85 85 VAL C C 85 174.188 175.508 -1.320 1 1 1046 . 10 1 1 A 85 85 VAL CA C 85 63.649 62.992 0.657 1 1 1047 . 10 1 1 A 85 85 VAL CB C 85 30.861 31.465 -0.604 1 1 1050 . 10 1 1 A 85 85 VAL N N 85 126.007 125.247 0.760 1 1 1051 . 10 1 1 A 86 86 LEU H H 86 8.534 8.517 0.017 1 1 1052 . 10 1 1 A 86 86 LEU HA H 86 4.853 4.813 0.040 1 1 1062 . 10 1 1 A 86 86 LEU C C 86 174.878 176.668 -1.790 1 1 1063 . 10 1 1 A 86 86 LEU CA C 86 53.183 51.748 1.435 1 1 1064 . 10 1 1 A 86 86 LEU CB C 86 40.485 44.657 -4.172 1 1 1068 . 10 1 1 A 86 86 LEU N N 86 129.551 128.452 1.099 1 1 1069 . 10 1 1 A 87 87 PRO HA H 87 4.221 4.536 -0.315 1 1 1076 . 10 1 1 A 87 87 PRO C C 87 178.223 177.073 1.150 1 1 1077 . 10 1 1 A 87 87 PRO CA C 87 66.455 64.165 2.290 1 1 1078 . 10 1 1 A 87 87 PRO CB C 87 32.260 31.690 0.570 1 1 1081 . 10 1 1 A 88 88 LYS H H 88 8.414 8.212 0.202 1 1 1082 . 10 1 1 A 88 88 LYS HA H 88 4.548 4.385 0.163 1 1 1091 . 10 1 1 A 88 88 LYS C C 88 176.187 176.593 -0.406 1 1 1092 . 10 1 1 A 88 88 LYS CA C 88 55.071 57.030 -1.959 1 1 1093 . 10 1 1 A 88 88 LYS CB C 88 33.534 34.118 -0.584 1 1 1097 . 10 1 1 A 88 88 LYS N N 88 110.404 116.780 -6.376 1 1 1098 . 10 1 1 A 89 89 GLU H H 89 7.208 7.740 -0.532 1 1 1099 . 10 1 1 A 89 89 GLU HA H 89 4.561 4.710 -0.149 1 1 1104 . 10 1 1 A 89 89 GLU C C 89 172.527 174.300 -1.773 1 1 1105 . 10 1 1 A 89 89 GLU CA C 89 56.007 55.664 0.343 1 1 1106 . 10 1 1 A 89 89 GLU CB C 89 33.082 33.576 -0.494 1 1 1108 . 10 1 1 A 89 89 GLU N N 89 116.828 115.298 1.530 1 1 1109 . 10 1 1 A 90 90 GLU H H 90 8.321 8.670 -0.349 1 1 1110 . 10 1 1 A 90 90 GLU HA H 90 5.249 4.980 0.269 1 1 1115 . 10 1 1 A 90 90 GLU C C 90 176.296 175.949 0.347 1 1 1116 . 10 1 1 A 90 90 GLU CA C 90 54.860 56.081 -1.221 1 1 1117 . 10 1 1 A 90 90 GLU CB C 90 31.972 30.772 1.200 1 1 1119 . 10 1 1 A 90 90 GLU N N 90 119.609 124.226 -4.617 1 1 1120 . 10 1 1 A 91 91 VAL H H 91 8.972 8.748 0.224 1 1 1121 . 10 1 1 A 91 91 VAL HA H 91 4.352 4.785 -0.433 1 1 1129 . 10 1 1 A 91 91 VAL C C 91 174.284 174.779 -0.495 1 1 1130 . 10 1 1 A 91 91 VAL CA C 91 61.284 60.981 0.303 1 1 1131 . 10 1 1 A 91 91 VAL CB C 91 34.891 34.480 0.411 1 1 1134 . 10 1 1 A 91 91 VAL N N 91 123.947 124.402 -0.455 1 1 1135 . 10 1 1 A 92 92 GLN H H 92 8.241 8.548 -0.307 1 1 1136 . 10 1 1 A 92 92 GLN HA H 92 4.930 5.084 -0.154 1 1 1143 . 10 1 1 A 92 92 GLN C C 92 174.115 175.044 -0.929 1 1 1144 . 10 1 1 A 92 92 GLN CA C 92 55.583 54.604 0.979 1 1 1145 . 10 1 1 A 92 92 GLN CB C 92 30.121 30.950 -0.829 1 1 1147 . 10 1 1 A 92 92 GLN N N 92 125.869 125.861 0.008 1 1 1149 . 10 1 1 A 93 93 LEU H H 93 9.145 8.756 0.389 1 1 1150 . 10 1 1 A 93 93 LEU HA H 93 5.456 5.248 0.208 1 1 1160 . 10 1 1 A 93 93 LEU C C 93 176.256 175.446 0.810 1 1 1161 . 10 1 1 A 93 93 LEU CA C 93 53.801 53.623 0.178 1 1 1162 . 10 1 1 A 93 93 LEU CB C 93 45.913 46.571 -0.658 1 1 1166 . 10 1 1 A 93 93 LEU N N 93 123.952 124.522 -0.570 1 1 1167 . 10 1 1 A 94 94 LYS H H 94 9.255 8.244 1.011 1 1 1168 . 10 1 1 A 94 94 LYS HA H 94 5.452 4.504 0.948 1 1 1177 . 10 1 1 A 94 94 LYS C C 94 174.563 174.591 -0.028 1 1 1178 . 10 1 1 A 94 94 LYS CA C 94 54.718 55.407 -0.689 1 1 1179 . 10 1 1 A 94 94 LYS CB C 94 36.571 36.199 0.372 1 1 1183 . 10 1 1 A 94 94 LYS N N 94 124.618 121.996 2.622 1 1 1184 . 10 1 1 A 95 95 THR H H 95 8.582 8.318 0.264 1 1 1185 . 10 1 1 A 95 95 THR HA H 95 4.946 4.989 -0.043 1 1 1190 . 10 1 1 A 95 95 THR C C 95 175.278 175.216 0.062 1 1 1191 . 10 1 1 A 95 95 THR CA C 95 59.908 59.271 0.637 1 1 1192 . 10 1 1 A 95 95 THR CB C 95 70.917 72.090 -1.173 1 1 1194 . 10 1 1 A 95 95 THR N N 95 112.788 115.916 -3.128 1 1 1195 . 10 1 1 A 96 96 GLU H H 96 9.033 8.628 0.405 1 1 1196 . 10 1 1 A 96 96 GLU HA H 96 4.321 4.113 0.208 1 1 1201 . 10 1 1 A 96 96 GLU C C 96 175.435 177.150 -1.715 1 1 1202 . 10 1 1 A 96 96 GLU CA C 96 57.595 60.099 -2.504 1 1 1203 . 10 1 1 A 96 96 GLU CB C 96 30.656 30.032 0.624 1 1 1205 . 10 1 1 A 96 96 GLU N N 96 117.745 122.495 -4.750 1 1 1206 . 10 1 1 A 97 97 ASN H H 97 7.562 8.183 -0.621 1 1 1207 . 10 1 1 A 97 97 ASN HA H 97 5.074 5.146 -0.072 1 1 1212 . 10 1 1 A 97 97 ASN C C 97 176.575 176.004 0.571 1 1 1213 . 10 1 1 A 97 97 ASN CA C 97 52.195 51.913 0.282 1 1 1214 . 10 1 1 A 97 97 ASN CB C 97 40.485 41.561 -1.076 1 1 1215 . 10 1 1 A 97 97 ASN N N 97 110.462 116.391 -5.929 1 1 1217 . 10 1 1 A 98 98 THR HA H 98 3.916 4.023 -0.107 1 1 1222 . 10 1 1 A 98 98 THR C C 98 176.938 176.619 0.319 1 1 1223 . 10 1 1 A 98 98 THR CA C 98 66.349 65.704 0.645 1 1 1224 . 10 1 1 A 98 98 THR CB C 98 68.638 69.004 -0.366 1 1 1226 . 10 1 1 A 99 99 GLU H H 99 9.316 8.460 0.856 1 1 1227 . 10 1 1 A 99 99 GLU HA H 99 4.221 4.083 0.138 1 1 1232 . 10 1 1 A 99 99 GLU C C 99 179.241 179.005 0.236 1 1 1233 . 10 1 1 A 99 99 GLU CA C 99 60.754 59.692 1.062 1 1 1234 . 10 1 1 A 99 99 GLU CB C 99 28.764 29.538 -0.774 1 1 1236 . 10 1 1 A 99 99 GLU N N 99 125.868 120.852 5.016 1 1 1237 . 10 1 1 A 100 100 SER H H 100 8.739 8.437 0.302 1 1 1238 . 10 1 1 A 100 100 SER HA H 100 4.863 4.409 0.454 1 1 1241 . 10 1 1 A 100 100 SER C C 100 177.411 177.204 0.207 1 1 1242 . 10 1 1 A 100 100 SER CA C 100 61.037 62.801 -1.764 1 1 1243 . 10 1 1 A 100 100 SER CB C 100 63.879 63.027 0.852 1 1 1244 . 10 1 1 A 100 100 SER N N 100 114.755 117.423 -2.668 1 1 1245 . 10 1 1 A 101 101 GLY H H 101 7.879 8.114 -0.235 1 1 1246 . 10 1 1 A 101 101 GLY HA2 H 101 4.139 3.956 0.183 1 1 1247 . 10 1 1 A 101 101 GLY HA3 H 101 4.012 4.115 -0.103 1 1 1248 . 10 1 1 A 101 101 GLY C C 101 174.611 176.226 -1.615 1 1 1249 . 10 1 1 A 101 101 GLY CA C 101 48.948 47.539 1.409 1 1 1250 . 10 1 1 A 101 101 GLY N N 101 108.940 110.212 -1.272 1 1 1251 . 10 1 1 A 102 102 GLU H H 102 7.801 8.054 -0.253 1 1 1252 . 10 1 1 A 102 102 GLU HA H 102 4.171 4.066 0.105 1 1 1257 . 10 1 1 A 102 102 GLU C C 102 179.084 179.272 -0.188 1 1 1258 . 10 1 1 A 102 102 GLU CA C 102 58.601 59.270 -0.669 1 1 1259 . 10 1 1 A 102 102 GLU CB C 102 29.627 29.531 0.096 1 1 1261 . 10 1 1 A 102 102 GLU N N 102 120.720 121.250 -0.530 1 1 1262 . 10 1 1 A 103 103 GLU H H 103 7.781 7.929 -0.148 1 1 1263 . 10 1 1 A 103 103 GLU HA H 103 3.739 4.043 -0.304 1 1 1268 . 10 1 1 A 103 103 GLU C C 103 178.235 179.070 -0.835 1 1 1269 . 10 1 1 A 103 103 GLU CA C 103 60.366 59.007 1.359 1 1 1270 . 10 1 1 A 103 103 GLU CB C 103 30.491 29.387 1.104 1 1 1272 . 10 1 1 A 103 103 GLU N N 103 119.068 119.262 -0.194 1 1 1273 . 10 1 1 A 104 104 TRP H H 104 8.761 8.967 -0.206 1 1 1274 . 10 1 1 A 104 104 TRP HA H 104 4.171 4.455 -0.284 1 1 1283 . 10 1 1 A 104 104 TRP C C 104 178.817 178.955 -0.138 1 1 1284 . 10 1 1 A 104 104 TRP CA C 104 62.290 60.778 1.512 1 1 1285 . 10 1 1 A 104 104 TRP CB C 104 29.340 29.287 0.053 1 1 1291 . 10 1 1 A 104 104 TRP N N 104 118.358 120.757 -2.399 1 1 1293 . 10 1 1 A 105 105 ARG H H 105 8.400 8.806 -0.406 1 1 1294 . 10 1 1 A 105 105 ARG HA H 105 3.481 3.661 -0.180 1 1 1302 . 10 1 1 A 105 105 ARG C C 105 177.666 179.311 -1.645 1 1 1303 . 10 1 1 A 105 105 ARG CA C 105 60.666 59.455 1.211 1 1 1304 . 10 1 1 A 105 105 ARG CB C 105 30.162 29.932 0.230 1 1 1307 . 10 1 1 A 105 105 ARG N N 105 117.098 119.768 -2.670 1 1 1309 . 10 1 1 A 106 106 GLY H H 106 8.202 8.168 0.034 1 1 1310 . 10 1 1 A 106 106 GLY HA2 H 106 3.470 3.541 -0.071 1 1 1311 . 10 1 1 A 106 106 GLY HA3 H 106 3.382 3.541 -0.159 1 1 1312 . 10 1 1 A 106 106 GLY C C 106 176.162 175.998 0.164 1 1 1313 . 10 1 1 A 106 106 GLY CA C 106 47.554 47.241 0.313 1 1 1314 . 10 1 1 A 106 106 GLY N N 106 104.212 106.669 -2.457 1 1 1315 . 10 1 1 A 107 107 PHE H H 107 8.491 8.296 0.195 1 1 1316 . 10 1 1 A 107 107 PHE HA H 107 3.722 4.258 -0.536 1 1 1324 . 10 1 1 A 107 107 PHE C C 107 177.265 178.014 -0.749 1 1 1325 . 10 1 1 A 107 107 PHE CA C 107 64.284 59.808 4.476 1 1 1326 . 10 1 1 A 107 107 PHE CB C 107 39.209 38.311 0.898 1 1 1332 . 10 1 1 A 107 107 PHE N N 107 122.710 120.478 2.232 1 1 1333 . 10 1 1 A 108 108 ILE H H 108 8.674 8.936 -0.262 1 1 1334 . 10 1 1 A 108 108 ILE HA H 108 3.523 3.711 -0.188 1 1 1344 . 10 1 1 A 108 108 ILE C C 108 178.623 177.974 0.649 1 1 1345 . 10 1 1 A 108 108 ILE CA C 108 66.384 64.957 1.427 1 1 1346 . 10 1 1 A 108 108 ILE CB C 108 37.852 37.660 0.192 1 1 1350 . 10 1 1 A 108 108 ILE N N 108 117.395 119.980 -2.585 1 1 1351 . 10 1 1 A 109 109 LEU H H 109 8.378 8.228 0.150 1 1 1352 . 10 1 1 A 109 109 LEU HA H 109 4.032 4.405 -0.373 1 1 1362 . 10 1 1 A 109 109 LEU C C 109 178.635 179.362 -0.727 1 1 1363 . 10 1 1 A 109 109 LEU CA C 109 57.878 57.730 0.148 1 1 1364 . 10 1 1 A 109 109 LEU CB C 109 40.854 41.692 -0.838 1 1 1368 . 10 1 1 A 109 109 LEU N N 109 118.573 119.517 -0.944 1 1 1369 . 10 1 1 A 110 110 THR H H 110 7.600 7.731 -0.131 1 1 1370 . 10 1 1 A 110 110 THR HA H 110 4.110 4.245 -0.135 1 1 1375 . 10 1 1 A 110 110 THR C C 110 177.265 176.527 0.738 1 1 1376 . 10 1 1 A 110 110 THR CA C 110 68.325 66.283 2.042 1 1 1377 . 10 1 1 A 110 110 THR CB C 110 68.230 68.848 -0.618 1 1 1379 . 10 1 1 A 110 110 THR N N 110 115.926 115.095 0.831 1 1 1380 . 10 1 1 A 111 111 VAL H H 111 7.490 8.182 -0.692 1 1 1381 . 10 1 1 A 111 111 VAL HA H 111 3.912 3.875 0.037 1 1 1389 . 10 1 1 A 111 111 VAL C C 111 174.793 177.312 -2.519 1 1 1390 . 10 1 1 A 111 111 VAL CA C 111 64.601 64.897 -0.296 1 1 1391 . 10 1 1 A 111 111 VAL CB C 111 32.007 31.500 0.507 1 1 1394 . 10 1 1 A 111 111 VAL N N 111 109.123 116.036 -6.913 1 1 1395 . 10 1 1 A 112 112 THR H H 112 7.410 8.028 -0.618 1 1 1396 . 10 1 1 A 112 112 THR HA H 112 4.494 4.420 0.074 1 1 1401 . 10 1 1 A 112 112 THR C C 112 177.265 176.318 0.947 1 1 1402 . 10 1 1 A 112 112 THR CA C 112 62.784 63.547 -0.763 1 1 1403 . 10 1 1 A 112 112 THR CB C 112 69.290 69.381 -0.091 1 1 1405 . 10 1 1 A 112 112 THR N N 112 107.046 113.788 -6.742 1 1 1406 . 10 1 1 A 113 113 GLU H H 113 8.541 8.483 0.058 1 1 1407 . 10 1 1 A 113 113 GLU HA H 113 4.280 4.415 -0.135 1 1 1412 . 10 1 1 A 113 113 GLU C C 113 176.745 175.660 1.085 1 1 1413 . 10 1 1 A 113 113 GLU CA C 113 57.048 56.147 0.901 1 1 1414 . 10 1 1 A 113 113 GLU CB C 113 29.422 29.374 0.048 1 1 1416 . 10 1 1 A 113 113 GLU N N 113 120.888 120.081 0.807 1 1 1417 . 10 1 1 A 114 114 LEU H H 114 7.561 7.998 -0.437 1 1 1418 . 10 1 1 A 114 114 LEU HA H 114 4.042 4.059 -0.017 1 1 1428 . 10 1 1 A 114 114 LEU C C 114 175.569 175.181 0.388 1 1 1429 . 10 1 1 A 114 114 LEU CA C 114 55.213 55.807 -0.594 1 1 1430 . 10 1 1 A 114 114 LEU CB C 114 38.182 41.192 -3.010 1 1 1434 . 10 1 1 A 114 114 LEU N N 114 114.453 120.837 -6.384 1 1 1435 . 10 1 1 A 115 115 SER H H 115 7.113 7.234 -0.121 1 1 1436 . 10 1 1 A 115 115 SER HA H 115 4.315 4.696 -0.381 1 1 1439 . 10 1 1 A 115 115 SER C C 115 173.521 172.296 1.225 1 1 1440 . 10 1 1 A 115 115 SER CA C 115 57.454 55.937 1.517 1 1 1441 . 10 1 1 A 115 115 SER CB C 115 64.505 64.911 -0.406 1 1 1442 . 10 1 1 A 115 115 SER N N 115 110.010 112.629 -2.619 1 1 1443 . 10 1 1 A 116 116 VAL H H 116 8.635 8.350 0.285 1 1 1444 . 10 1 1 A 116 116 VAL HA H 116 4.210 4.383 -0.173 1 1 1452 . 10 1 1 A 116 116 VAL C C 116 175.024 174.067 0.957 1 1 1453 . 10 1 1 A 116 116 VAL CA C 116 60.948 58.781 2.167 1 1 1454 . 10 1 1 A 116 116 VAL CB C 116 32.177 34.869 -2.692 1 1 1457 . 10 1 1 A 116 116 VAL N N 116 129.442 120.763 8.679 1 1 1458 . 10 1 1 A 117 117 PRO HA H 117 4.381 4.735 -0.354 1 1 1465 . 10 1 1 A 117 117 PRO C C 117 176.478 177.346 -0.868 1 1 1466 . 10 1 1 A 117 117 PRO CA C 117 62.678 62.412 0.266 1 1 1467 . 10 1 1 A 117 117 PRO CB C 117 31.931 31.854 0.077 1 1 1470 . 10 1 1 A 118 118 GLN H H 118 8.576 8.816 -0.240 1 1 1471 . 10 1 1 A 118 118 GLN HA H 118 4.282 4.492 -0.210 1 1 1478 . 10 1 1 A 118 118 GLN C C 118 176.575 175.955 0.620 1 1 1479 . 10 1 1 A 118 118 GLN CA C 118 55.866 55.997 -0.131 1 1 1480 . 10 1 1 A 118 118 GLN CB C 118 29.704 29.454 0.250 1 1 1482 . 10 1 1 A 118 118 GLN N N 118 118.498 121.623 -3.125 1 1 1484 . 10 1 1 A 119 119 ASN H H 119 8.444 7.861 0.583 1 1 1485 . 10 1 1 A 119 119 ASN HA H 119 4.727 4.901 -0.174 1 1 1490 . 10 1 1 A 119 119 ASN C C 119 174.842 174.430 0.412 1 1 1491 . 10 1 1 A 119 119 ASN CA C 119 52.812 52.609 0.203 1 1 1492 . 10 1 1 A 119 119 ASN CB C 119 37.071 39.037 -1.966 1 1 1493 . 10 1 1 A 119 119 ASN N N 119 117.223 118.678 -1.455 1 1 1495 . 10 1 1 A 120 120 VAL H H 120 7.182 7.512 -0.330 1 1 1496 . 10 1 1 A 120 120 VAL HA H 120 4.381 4.674 -0.293 1 1 1504 . 10 1 1 A 120 120 VAL C C 120 175.484 175.373 0.111 1 1 1505 . 10 1 1 A 120 120 VAL CA C 120 60.048 59.543 0.505 1 1 1506 . 10 1 1 A 120 120 VAL CB C 120 34.028 34.740 -0.712 1 1 1509 . 10 1 1 A 120 120 VAL N N 120 114.038 116.831 -2.793 1 1 1510 . 10 1 1 A 121 121 SER H H 121 9.313 8.650 0.663 1 1 1511 . 10 1 1 A 121 121 SER HA H 121 4.552 4.518 0.034 1 1 1514 . 10 1 1 A 121 121 SER C C 121 173.096 174.108 -1.012 1 1 1515 . 10 1 1 A 121 121 SER CA C 121 57.119 58.161 -1.042 1 1 1516 . 10 1 1 A 121 121 SER CB C 121 62.528 63.954 -1.426 1 1 1517 . 10 1 1 A 121 121 SER N N 121 122.117 116.352 5.765 1 1 1518 . 10 1 1 A 122 122 LEU H H 122 7.470 7.509 -0.039 1 1 1519 . 10 1 1 A 122 122 LEU HA H 122 4.618 4.151 0.467 1 1 1529 . 10 1 1 A 122 122 LEU C C 122 176.526 177.436 -0.910 1 1 1530 . 10 1 1 A 122 122 LEU CA C 122 52.795 55.371 -2.576 1 1 1531 . 10 1 1 A 122 122 LEU CB C 122 45.790 43.229 2.561 1 1 1535 . 10 1 1 A 122 122 LEU N N 122 122.878 123.236 -0.358 1 1 1536 . 10 1 1 A 123 123 LEU H H 123 8.765 8.426 0.339 1 1 1537 . 10 1 1 A 123 123 LEU HA H 123 4.574 4.379 0.195 1 1 1547 . 10 1 1 A 123 123 LEU C C 123 176.769 176.811 -0.042 1 1 1548 . 10 1 1 A 123 123 LEU CA C 123 53.748 53.357 0.391 1 1 1549 . 10 1 1 A 123 123 LEU CB C 123 40.649 41.414 -0.765 1 1 1553 . 10 1 1 A 123 123 LEU N N 123 122.054 123.513 -1.459 1 1 1554 . 10 1 1 A 124 124 PRO HA H 124 4.232 4.500 -0.268 1 1 1561 . 10 1 1 A 124 124 PRO CA C 124 66.281 64.053 2.228 1 1 1562 . 10 1 1 A 124 124 PRO CB C 124 31.945 31.746 0.199 1 1 1565 . 10 1 1 A 125 125 GLY HA2 H 125 3.901 3.907 -0.006 1 1 1566 . 10 1 1 A 125 125 GLY HA3 H 125 3.901 3.913 -0.012 1 1 1567 . 10 1 1 A 125 125 GLY C C 125 176.696 175.903 0.793 1 1 1568 . 10 1 1 A 125 125 GLY CA C 125 46.724 46.330 0.394 1 1 1569 . 10 1 1 A 126 126 GLN H H 126 7.495 7.888 -0.393 1 1 1570 . 10 1 1 A 126 126 GLN HA H 126 4.261 4.059 0.202 1 1 1577 . 10 1 1 A 126 126 GLN C C 126 178.235 178.044 0.191 1 1 1578 . 10 1 1 A 126 126 GLN CA C 126 57.807 58.671 -0.864 1 1 1579 . 10 1 1 A 126 126 GLN CB C 126 30.039 28.378 1.661 1 1 1581 . 10 1 1 A 126 126 GLN N N 126 120.404 122.169 -1.765 1 1 1583 . 10 1 1 A 127 127 VAL H H 127 7.839 7.795 0.044 1 1 1584 . 10 1 1 A 127 127 VAL HA H 127 3.360 3.576 -0.216 1 1 1592 . 10 1 1 A 127 127 VAL C C 127 178.441 178.080 0.361 1 1 1593 . 10 1 1 A 127 127 VAL CA C 127 67.231 65.913 1.318 1 1 1594 . 10 1 1 A 127 127 VAL CB C 127 31.948 31.585 0.363 1 1 1597 . 10 1 1 A 127 127 VAL N N 127 121.180 119.912 1.268 1 1 1598 . 10 1 1 A 128 128 ILE H H 128 7.725 8.387 -0.662 1 1 1599 . 10 1 1 A 128 128 ILE HA H 128 3.820 3.542 0.278 1 1 1609 . 10 1 1 A 128 128 ILE C C 128 178.599 177.983 0.616 1 1 1610 . 10 1 1 A 128 128 ILE CA C 128 64.978 65.779 -0.801 1 1 1611 . 10 1 1 A 128 128 ILE CB C 128 37.976 37.887 0.089 1 1 1615 . 10 1 1 A 128 128 ILE N N 128 119.369 120.935 -1.566 1 1 1616 . 10 1 1 A 129 129 LYS H H 129 7.204 7.907 -0.703 1 1 1617 . 10 1 1 A 129 129 LYS HA H 129 4.241 3.841 0.400 1 1 1626 . 10 1 1 A 129 129 LYS C C 129 178.902 178.842 0.060 1 1 1627 . 10 1 1 A 129 129 LYS CA C 129 58.690 59.320 -0.630 1 1 1628 . 10 1 1 A 129 129 LYS CB C 129 31.725 32.109 -0.384 1 1 1632 . 10 1 1 A 129 129 LYS N N 129 119.356 118.793 0.563 1 1 1633 . 10 1 1 A 130 130 LEU H H 130 7.750 7.656 0.094 1 1 1634 . 10 1 1 A 130 130 LEU HA H 130 3.649 3.441 0.208 1 1 1644 . 10 1 1 A 130 130 LEU C C 130 178.756 179.018 -0.262 1 1 1645 . 10 1 1 A 130 130 LEU CA C 130 57.913 57.452 0.461 1 1 1646 . 10 1 1 A 130 130 LEU CB C 130 40.197 41.322 -1.125 1 1 1650 . 10 1 1 A 130 130 LEU N N 130 118.271 119.198 -0.927 1 1 1651 . 10 1 1 A 131 131 HIS H H 131 7.732 7.925 -0.193 1 1 1652 . 10 1 1 A 131 131 HIS HA H 131 3.918 4.112 -0.194 1 1 1657 . 10 1 1 A 131 131 HIS C C 131 178.392 177.544 0.848 1 1 1658 . 10 1 1 A 131 131 HIS CA C 131 61.019 59.951 1.068 1 1 1659 . 10 1 1 A 131 131 HIS CB C 131 29.951 29.825 0.126 1 1 1662 . 10 1 1 A 131 131 HIS N N 131 117.308 117.083 0.225 1 1 1663 . 10 1 1 A 132 132 GLU H H 132 8.030 8.752 -0.722 1 1 1664 . 10 1 1 A 132 132 GLU HA H 132 4.097 3.852 0.245 1 1 1669 . 10 1 1 A 132 132 GLU C C 132 179.907 179.378 0.529 1 1 1670 . 10 1 1 A 132 132 GLU CA C 132 59.660 59.501 0.159 1 1 1671 . 10 1 1 A 132 132 GLU CB C 132 29.627 29.148 0.479 1 1 1673 . 10 1 1 A 132 132 GLU N N 132 121.443 119.134 2.309 1 1 1674 . 10 1 1 A 133 133 VAL H H 133 8.250 9.115 -0.865 1 1 1675 . 10 1 1 A 133 133 VAL HA H 133 3.352 3.269 0.083 1 1 1683 . 10 1 1 A 133 133 VAL C C 133 176.575 177.807 -1.232 1 1 1684 . 10 1 1 A 133 133 VAL CA C 133 66.367 65.812 0.555 1 1 1685 . 10 1 1 A 133 133 VAL CB C 133 31.203 31.115 0.088 1 1 1688 . 10 1 1 A 133 133 VAL N N 133 121.281 119.968 1.313 1 1 1689 . 10 1 1 A 134 134 LEU H H 134 8.259 8.041 0.218 1 1 1690 . 10 1 1 A 134 134 LEU HA H 134 3.645 3.790 -0.145 1 1 1700 . 10 1 1 A 134 134 LEU C C 134 177.980 178.254 -0.274 1 1 1701 . 10 1 1 A 134 134 LEU CA C 134 58.154 58.483 -0.329 1 1 1702 . 10 1 1 A 134 134 LEU CB C 134 40.320 41.882 -1.562 1 1 1706 . 10 1 1 A 134 134 LEU N N 134 120.134 120.197 -0.063 1 1 1707 . 10 1 1 A 135 135 GLU H H 135 7.611 8.391 -0.780 1 1 1708 . 10 1 1 A 135 135 GLU HA H 135 3.972 3.912 0.060 1 1 1713 . 10 1 1 A 135 135 GLU C C 135 179.834 179.270 0.564 1 1 1714 . 10 1 1 A 135 135 GLU CA C 135 59.325 59.525 -0.200 1 1 1715 . 10 1 1 A 135 135 GLU CB C 135 29.134 29.250 -0.116 1 1 1717 . 10 1 1 A 135 135 GLU N N 135 116.026 117.861 -1.835 1 1 1718 . 10 1 1 A 136 136 ARG H H 136 7.789 8.276 -0.487 1 1 1719 . 10 1 1 A 136 136 ARG HA H 136 4.140 4.089 0.051 1 1 1726 . 10 1 1 A 136 136 ARG C C 136 179.083 178.788 0.295 1 1 1727 . 10 1 1 A 136 136 ARG CA C 136 59.131 59.404 -0.273 1 1 1728 . 10 1 1 A 136 136 ARG CB C 136 30.368 30.020 0.348 1 1 1731 . 10 1 1 A 136 136 ARG N N 136 119.681 120.312 -0.631 1 1 1732 . 10 1 1 A 137 137 GLU H H 137 9.238 8.270 0.968 1 1 1733 . 10 1 1 A 137 137 GLU HA H 137 4.637 4.167 0.470 1 1 1738 . 10 1 1 A 137 137 GLU C C 137 178.817 179.143 -0.326 1 1 1739 . 10 1 1 A 137 137 GLU CA C 137 58.036 59.403 -1.367 1 1 1740 . 10 1 1 A 137 137 GLU CB C 137 28.147 29.075 -0.928 1 1 1742 . 10 1 1 A 137 137 GLU N N 137 124.333 118.145 6.188 1 1 1743 . 10 1 1 A 138 138 LYS H H 138 8.788 8.637 0.151 1 1 1744 . 10 1 1 A 138 138 LYS HA H 138 3.899 3.918 -0.019 1 1 1753 . 10 1 1 A 138 138 LYS C C 138 179.944 179.366 0.578 1 1 1754 . 10 1 1 A 138 138 LYS CA C 138 60.754 59.554 1.200 1 1 1755 . 10 1 1 A 138 138 LYS CB C 138 32.789 32.471 0.318 1 1 1759 . 10 1 1 A 138 138 LYS N N 138 119.622 119.819 -0.197 1 1 1760 . 10 1 1 A 139 139 LYS H H 139 7.313 7.660 -0.347 1 1 1761 . 10 1 1 A 139 139 LYS HA H 139 4.070 3.931 0.139 1 1 1770 . 10 1 1 A 139 139 LYS C C 139 178.235 178.806 -0.571 1 1 1771 . 10 1 1 A 139 139 LYS CA C 139 59.166 60.063 -0.897 1 1 1772 . 10 1 1 A 139 139 LYS CB C 139 32.424 32.150 0.274 1 1 1776 . 10 1 1 A 139 139 LYS N N 139 117.326 119.582 -2.256 1 1 1777 . 10 1 1 A 140 140 ARG H H 140 8.344 7.996 0.348 1 1 1778 . 10 1 1 A 140 140 ARG HA H 140 4.080 3.994 0.086 1 1 1786 . 10 1 1 A 140 140 ARG C C 140 179.531 178.959 0.572 1 1 1787 . 10 1 1 A 140 140 ARG CA C 140 59.184 59.775 -0.591 1 1 1788 . 10 1 1 A 140 140 ARG CB C 140 31.190 29.985 1.205 1 1 1791 . 10 1 1 A 140 140 ARG N N 140 121.404 119.805 1.599 1 1 1793 . 10 1 1 A 141 141 ARG H H 141 8.171 7.920 0.251 1 1 1794 . 10 1 1 A 141 141 ARG HA H 141 4.034 4.012 0.022 1 1 1802 . 10 1 1 A 141 141 ARG C C 141 178.671 178.822 -0.151 1 1 1803 . 10 1 1 A 141 141 ARG CA C 141 58.337 59.127 -0.790 1 1 1804 . 10 1 1 A 141 141 ARG CB C 141 30.327 29.911 0.416 1 1 1807 . 10 1 1 A 141 141 ARG N N 141 115.667 118.611 -2.944 1 1 1809 . 10 1 1 A 142 142 ILE H H 142 7.521 8.696 -1.175 1 1 1810 . 10 1 1 A 142 142 ILE HA H 142 4.074 3.733 0.341 1 1 1820 . 10 1 1 A 142 142 ILE C C 142 177.787 177.035 0.752 1 1 1821 . 10 1 1 A 142 142 ILE CA C 142 63.178 64.872 -1.694 1 1 1822 . 10 1 1 A 142 142 ILE CB C 142 38.346 37.854 0.492 1 1 1826 . 10 1 1 A 142 142 ILE N N 142 118.031 120.741 -2.710 1 1 1827 . 10 1 1 A 143 143 GLU H H 143 8.041 7.953 0.088 1 1 1828 . 10 1 1 A 143 143 GLU HA H 143 4.251 4.463 -0.212 1 1 1833 . 10 1 1 A 143 143 GLU C C 143 177.217 175.169 2.048 1 1 1834 . 10 1 1 A 143 143 GLU CA C 143 57.595 55.353 2.242 1 1 1835 . 10 1 1 A 143 143 GLU CB C 143 29.998 28.044 1.954 1 1 1837 . 10 1 1 A 143 143 GLU N N 143 120.963 120.616 0.347 1 1 1838 . 10 1 1 A 144 144 SER H H 144 8.041 7.839 0.202 1 1 1839 . 10 1 1 A 144 144 SER HA H 144 4.538 4.458 0.080 1 1 1842 . 10 1 1 A 144 144 SER C C 144 174.721 174.722 -0.001 1 1 1843 . 10 1 1 A 144 144 SER CA C 144 58.801 59.248 -0.447 1 1 1844 . 10 1 1 A 144 144 SER CB C 144 64.126 64.241 -0.115 1 1 1845 . 10 1 1 A 144 144 SER N N 144 114.646 119.464 -4.818 1 1 1846 . 10 1 1 A 145 145 GLY H H 145 7.982 8.288 -0.306 1 1 1847 . 10 1 1 A 145 145 GLY HA2 H 145 4.102 4.170 -0.068 1 1 1848 . 10 1 1 A 145 145 GLY HA3 H 145 4.231 4.172 0.059 1 1 1849 . 10 1 1 A 145 145 GLY C C 145 171.800 173.055 -1.255 1 1 1850 . 10 1 1 A 145 145 GLY CA C 145 44.854 44.147 0.707 1 1 1851 . 10 1 1 A 145 145 GLY N N 145 110.299 110.662 -0.363 1 1 1852 . 10 1 1 A 146 146 PRO HA H 146 4.510 4.837 -0.327 1 1 1859 . 10 1 1 A 146 146 PRO C C 146 177.496 176.168 1.328 1 1 1860 . 10 1 1 A 146 146 PRO CA C 146 63.313 62.604 0.709 1 1 1861 . 10 1 1 A 146 146 PRO CB C 146 32.177 31.792 0.385 1 1 1864 . 10 1 1 A 147 147 SER H H 147 8.530 8.335 0.195 1 1 1865 . 10 1 1 A 147 147 SER C C 147 174.721 174.141 0.580 1 1 1866 . 10 1 1 A 147 147 SER CA C 147 58.390 57.916 0.474 1 1 1867 . 10 1 1 A 147 147 SER CB C 147 63.803 65.474 -1.671 1 1 1868 . 10 1 1 A 147 147 SER N N 147 116.436 114.560 1.876 1 1 1869 . 10 1 1 A 148 148 SER H H 148 8.348 8.972 -0.624 1 1 1870 . 10 1 1 A 148 148 SER C C 148 173.957 174.541 -0.584 1 1 1871 . 10 1 1 A 148 148 SER CA C 148 58.372 60.256 -1.884 1 1 1872 . 10 1 1 A 148 148 SER CB C 148 64.008 64.046 -0.038 1 1 1 . 11 1 1 A 8 8 GLN HA H 8 4.221 4.604 -0.383 1 1 8 . 11 1 1 A 8 8 GLN CA C 8 56.851 55.656 1.195 1 1 9 . 11 1 1 A 8 8 GLN CB C 8 28.887 29.007 -0.120 1 1 12 . 11 1 1 A 9 9 GLU H H 9 8.480 8.806 -0.326 1 1 13 . 11 1 1 A 9 9 GLU HA H 9 4.166 4.844 -0.678 1 1 18 . 11 1 1 A 9 9 GLU CA C 9 58.333 55.103 3.230 1 1 19 . 11 1 1 A 9 9 GLU CB C 9 29.545 30.480 -0.935 1 1 21 . 11 1 1 A 9 9 GLU N N 9 121.149 124.135 -2.986 1 1 22 . 11 1 1 A 10 10 ARG H H 10 8.336 8.780 -0.444 1 1 23 . 11 1 1 A 10 10 ARG HA H 10 4.131 4.654 -0.523 1 1 30 . 11 1 1 A 10 10 ARG C C 10 177.350 175.095 2.255 1 1 31 . 11 1 1 A 10 10 ARG CA C 10 57.731 54.966 2.765 1 1 32 . 11 1 1 A 10 10 ARG CB C 10 30.061 29.654 0.407 1 1 35 . 11 1 1 A 10 10 ARG N N 10 120.177 124.842 -4.665 1 1 36 . 11 1 1 A 11 11 LEU H H 11 7.741 7.820 -0.079 1 1 37 . 11 1 1 A 11 11 LEU HA H 11 4.219 4.285 -0.066 1 1 44 . 11 1 1 A 11 11 LEU CA C 11 56.781 55.149 1.632 1 1 45 . 11 1 1 A 11 11 LEU CB C 11 41.875 42.236 -0.361 1 1 49 . 11 1 1 A 11 11 LEU N N 11 120.410 125.434 -5.024 1 1 50 . 11 1 1 A 12 12 LYS H H 12 7.816 8.866 -1.050 1 1 51 . 11 1 1 A 12 12 LYS HA H 12 4.091 4.408 -0.317 1 1 60 . 11 1 1 A 12 12 LYS CA C 12 58.234 55.729 2.505 1 1 61 . 11 1 1 A 12 12 LYS CB C 12 32.530 33.297 -0.767 1 1 65 . 11 1 1 A 12 12 LYS N N 12 119.365 120.859 -1.494 1 1 66 . 11 1 1 A 13 13 ILE H H 13 7.851 8.593 -0.742 1 1 67 . 11 1 1 A 13 13 ILE HA H 13 3.951 3.748 0.203 1 1 77 . 11 1 1 A 13 13 ILE C C 13 176.914 177.318 -0.404 1 1 78 . 11 1 1 A 13 13 ILE CA C 13 62.713 65.564 -2.851 1 1 79 . 11 1 1 A 13 13 ILE CB C 13 38.264 38.154 0.110 1 1 83 . 11 1 1 A 14 14 THR H H 14 7.750 7.928 -0.178 1 1 84 . 11 1 1 A 14 14 THR HA H 14 4.021 4.485 -0.464 1 1 88 . 11 1 1 A 14 14 THR C C 14 174.818 174.298 0.520 1 1 89 . 11 1 1 A 14 14 THR CA C 14 63.172 63.241 -0.069 1 1 90 . 11 1 1 A 14 14 THR CB C 14 68.985 71.445 -2.460 1 1 92 . 11 1 1 A 14 14 THR N N 14 110.999 110.399 0.600 1 1 93 . 11 1 1 A 15 15 ALA H H 15 7.922 7.463 0.459 1 1 94 . 11 1 1 A 15 15 ALA HA H 15 4.141 4.680 -0.539 1 1 98 . 11 1 1 A 15 15 ALA C C 15 177.593 174.859 2.734 1 1 99 . 11 1 1 A 15 15 ALA CA C 15 53.007 51.929 1.078 1 1 100 . 11 1 1 A 15 15 ALA CB C 15 18.747 22.343 -3.596 1 1 101 . 11 1 1 A 15 15 ALA N N 15 122.429 119.007 3.422 1 1 102 . 11 1 1 A 16 16 LEU H H 16 7.442 8.994 -1.552 1 1 103 . 11 1 1 A 16 16 LEU HA H 16 4.653 4.954 -0.301 1 1 112 . 11 1 1 A 16 16 LEU C C 16 173.182 175.072 -1.890 1 1 113 . 11 1 1 A 16 16 LEU CA C 16 51.524 51.290 0.234 1 1 114 . 11 1 1 A 16 16 LEU CB C 16 45.831 44.025 1.806 1 1 118 . 11 1 1 A 16 16 LEU N N 16 120.226 125.161 -4.935 1 1 119 . 11 1 1 A 17 17 PRO HA H 17 4.140 4.658 -0.518 1 1 126 . 11 1 1 A 17 17 PRO C C 17 174.296 175.798 -1.502 1 1 127 . 11 1 1 A 17 17 PRO CA C 17 62.007 62.602 -0.595 1 1 128 . 11 1 1 A 17 17 PRO CB C 17 32.013 32.578 -0.565 1 1 131 . 11 1 1 A 18 18 LEU H H 18 8.071 8.400 -0.329 1 1 132 . 11 1 1 A 18 18 LEU HA H 18 4.097 4.506 -0.409 1 1 142 . 11 1 1 A 18 18 LEU C C 18 176.974 175.576 1.398 1 1 143 . 11 1 1 A 18 18 LEU CA C 18 55.043 53.734 1.309 1 1 144 . 11 1 1 A 18 18 LEU CB C 18 42.376 44.454 -2.078 1 1 148 . 11 1 1 A 18 18 LEU N N 18 119.963 122.887 -2.924 1 1 149 . 11 1 1 A 19 19 TYR H H 19 9.108 8.487 0.621 1 1 150 . 11 1 1 A 19 19 TYR HA H 19 5.121 4.743 0.378 1 1 157 . 11 1 1 A 19 19 TYR C C 19 174.515 175.424 -0.909 1 1 158 . 11 1 1 A 19 19 TYR CA C 19 55.160 59.423 -4.263 1 1 159 . 11 1 1 A 19 19 TYR CB C 19 39.292 40.114 -0.822 1 1 164 . 11 1 1 A 19 19 TYR N N 19 127.955 122.294 5.661 1 1 165 . 11 1 1 A 20 20 PHE H H 20 7.560 8.068 -0.508 1 1 166 . 11 1 1 A 20 20 PHE HA H 20 4.281 4.486 -0.205 1 1 174 . 11 1 1 A 20 20 PHE C C 20 171.170 173.295 -2.125 1 1 175 . 11 1 1 A 20 20 PHE CA C 20 57.031 56.062 0.969 1 1 176 . 11 1 1 A 20 20 PHE CB C 20 40.937 42.013 -1.076 1 1 182 . 11 1 1 A 20 20 PHE N N 20 115.328 115.877 -0.549 1 1 183 . 11 1 1 A 21 21 GLU H H 21 5.556 7.637 -2.081 1 1 184 . 11 1 1 A 21 21 GLU HA H 21 5.191 4.687 0.504 1 1 189 . 11 1 1 A 21 21 GLU C C 21 173.024 173.920 -0.896 1 1 190 . 11 1 1 A 21 21 GLU CA C 21 53.025 55.020 -1.995 1 1 191 . 11 1 1 A 21 21 GLU CB C 21 31.760 32.225 -0.465 1 1 193 . 11 1 1 A 21 21 GLU N N 21 118.643 119.388 -0.745 1 1 194 . 11 1 1 A 22 22 GLY H H 22 7.721 8.117 -0.396 1 1 195 . 11 1 1 A 22 22 GLY HA2 H 22 4.024 3.656 0.368 1 1 196 . 11 1 1 A 22 22 GLY HA3 H 22 3.107 4.029 -0.922 1 1 197 . 11 1 1 A 22 22 GLY C C 22 171.994 171.514 0.480 1 1 198 . 11 1 1 A 22 22 GLY CA C 22 45.013 44.859 0.154 1 1 199 . 11 1 1 A 22 22 GLY N N 22 106.155 108.224 -2.069 1 1 200 . 11 1 1 A 23 23 PHE H H 23 8.881 8.796 0.085 1 1 201 . 11 1 1 A 23 23 PHE HA H 23 5.303 4.684 0.619 1 1 209 . 11 1 1 A 23 23 PHE C C 23 176.926 174.928 1.998 1 1 210 . 11 1 1 A 23 23 PHE CA C 23 60.013 58.557 1.456 1 1 211 . 11 1 1 A 23 23 PHE CB C 23 40.937 38.764 2.173 1 1 217 . 11 1 1 A 23 23 PHE N N 23 119.442 119.932 -0.490 1 1 218 . 11 1 1 A 24 24 LEU H H 24 9.072 8.825 0.247 1 1 219 . 11 1 1 A 24 24 LEU HA H 24 4.562 5.100 -0.538 1 1 229 . 11 1 1 A 24 24 LEU C C 24 174.406 174.507 -0.101 1 1 230 . 11 1 1 A 24 24 LEU CA C 24 54.437 53.282 1.155 1 1 231 . 11 1 1 A 24 24 LEU CB C 24 48.381 45.587 2.794 1 1 235 . 11 1 1 A 24 24 LEU N N 24 122.488 125.680 -3.192 1 1 236 . 11 1 1 A 25 25 LEU H H 25 8.120 8.470 -0.350 1 1 237 . 11 1 1 A 25 25 LEU HA H 25 5.480 5.441 0.039 1 1 247 . 11 1 1 A 25 25 LEU C C 25 176.175 175.700 0.475 1 1 248 . 11 1 1 A 25 25 LEU CA C 25 54.242 53.384 0.858 1 1 249 . 11 1 1 A 25 25 LEU CB C 25 42.576 42.657 -0.081 1 1 253 . 11 1 1 A 25 25 LEU N N 25 120.790 125.589 -4.799 1 1 254 . 11 1 1 A 26 26 ILE H H 26 9.110 8.642 0.468 1 1 255 . 11 1 1 A 26 26 ILE HA H 26 5.232 4.607 0.625 1 1 265 . 11 1 1 A 26 26 ILE C C 26 174.757 173.819 0.938 1 1 266 . 11 1 1 A 26 26 ILE CA C 26 57.613 59.638 -2.025 1 1 267 . 11 1 1 A 26 26 ILE CB C 26 41.343 39.294 2.049 1 1 271 . 11 1 1 A 26 26 ILE N N 26 120.679 125.220 -4.541 1 1 272 . 11 1 1 A 27 27 LYS H H 27 9.150 8.635 0.515 1 1 273 . 11 1 1 A 27 27 LYS HA H 27 4.425 4.157 0.268 1 1 282 . 11 1 1 A 27 27 LYS C C 27 175.557 175.342 0.215 1 1 283 . 11 1 1 A 27 27 LYS CA C 27 56.095 54.622 1.473 1 1 284 . 11 1 1 A 27 27 LYS CB C 27 35.056 32.379 2.677 1 1 288 . 11 1 1 A 27 27 LYS N N 27 127.778 129.114 -1.336 1 1 289 . 11 1 1 A 28 28 ARG H H 28 5.868 8.150 -2.282 1 1 290 . 11 1 1 A 28 28 ARG HA H 28 4.429 4.405 0.024 1 1 298 . 11 1 1 A 28 28 ARG C C 28 176.078 176.634 -0.556 1 1 299 . 11 1 1 A 28 28 ARG CA C 28 54.542 55.892 -1.350 1 1 300 . 11 1 1 A 28 28 ARG CB C 28 31.602 31.394 0.208 1 1 303 . 11 1 1 A 28 28 ARG N N 28 124.548 126.002 -1.454 1 1 305 . 11 1 1 A 29 29 SER H H 29 9.067 8.547 0.520 1 1 306 . 11 1 1 A 29 29 SER HA H 29 4.181 4.581 -0.400 1 1 309 . 11 1 1 A 29 29 SER C C 29 176.066 174.803 1.263 1 1 310 . 11 1 1 A 29 29 SER CA C 29 61.019 58.056 2.963 1 1 311 . 11 1 1 A 29 29 SER CB C 29 63.057 61.807 1.250 1 1 312 . 11 1 1 A 29 29 SER N N 29 116.823 118.474 -1.651 1 1 313 . 11 1 1 A 30 30 GLY HA2 H 30 3.810 4.031 -0.221 1 1 314 . 11 1 1 A 30 30 GLY HA3 H 30 4.172 4.060 0.112 1 1 315 . 11 1 1 A 30 30 GLY CA C 30 45.171 45.329 -0.158 1 1 316 . 11 1 1 A 31 31 TYR H H 31 8.001 8.294 -0.293 1 1 317 . 11 1 1 A 31 31 TYR HA H 31 4.729 4.715 0.014 1 1 324 . 11 1 1 A 31 31 TYR CB C 31 37.249 40.376 -3.127 1 1 329 . 11 1 1 A 31 31 TYR N N 31 121.120 118.737 2.383 1 1 330 . 11 1 1 A 32 32 ARG HA H 32 4.204 4.135 0.069 1 1 337 . 11 1 1 A 32 32 ARG C C 32 176.066 174.731 1.335 1 1 338 . 11 1 1 A 32 32 ARG CA C 32 57.631 57.958 -0.327 1 1 339 . 11 1 1 A 32 32 ARG CB C 32 30.861 30.223 0.638 1 1 342 . 11 1 1 A 33 33 GLU H H 33 7.700 7.739 -0.039 1 1 343 . 11 1 1 A 33 33 GLU HA H 33 4.600 4.841 -0.241 1 1 348 . 11 1 1 A 33 33 GLU C C 33 175.569 174.689 0.880 1 1 349 . 11 1 1 A 33 33 GLU CA C 33 53.695 54.767 -1.072 1 1 350 . 11 1 1 A 33 33 GLU CB C 33 33.000 32.718 0.282 1 1 352 . 11 1 1 A 33 33 GLU N N 33 115.988 114.160 1.828 1 1 353 . 11 1 1 A 34 34 TYR H H 34 8.755 8.620 0.135 1 1 354 . 11 1 1 A 34 34 TYR HA H 34 4.311 4.354 -0.043 1 1 361 . 11 1 1 A 34 34 TYR C C 34 176.999 176.259 0.740 1 1 362 . 11 1 1 A 34 34 TYR CA C 34 59.537 59.492 0.045 1 1 363 . 11 1 1 A 34 34 TYR CB C 34 39.744 39.227 0.517 1 1 368 . 11 1 1 A 34 34 TYR N N 34 118.663 123.023 -4.360 1 1 369 . 11 1 1 A 35 35 GLU H H 35 9.024 8.387 0.637 1 1 370 . 11 1 1 A 35 35 GLU HA H 35 4.401 4.879 -0.478 1 1 375 . 11 1 1 A 35 35 GLU C C 35 174.406 175.386 -0.980 1 1 376 . 11 1 1 A 35 35 GLU CA C 35 54.330 55.005 -0.675 1 1 377 . 11 1 1 A 35 35 GLU CB C 35 31.972 32.745 -0.773 1 1 379 . 11 1 1 A 35 35 GLU N N 35 122.488 122.704 -0.216 1 1 380 . 11 1 1 A 36 36 HIS H H 36 8.639 8.835 -0.196 1 1 381 . 11 1 1 A 36 36 HIS HA H 36 4.980 4.779 0.201 1 1 386 . 11 1 1 A 36 36 HIS C C 36 174.127 173.596 0.531 1 1 387 . 11 1 1 A 36 36 HIS CA C 36 55.607 55.755 -0.148 1 1 388 . 11 1 1 A 36 36 HIS CB C 36 31.396 30.340 1.056 1 1 391 . 11 1 1 A 36 36 HIS N N 36 123.767 123.459 0.308 1 1 392 . 11 1 1 A 37 37 TYR H H 37 8.931 8.720 0.211 1 1 393 . 11 1 1 A 37 37 TYR HA H 37 5.668 4.982 0.686 1 1 400 . 11 1 1 A 37 37 TYR C C 37 177.969 174.848 3.121 1 1 401 . 11 1 1 A 37 37 TYR CA C 37 55.407 56.736 -1.329 1 1 402 . 11 1 1 A 37 37 TYR CB C 37 42.089 42.402 -0.313 1 1 407 . 11 1 1 A 37 37 TYR N N 37 124.075 125.638 -1.563 1 1 408 . 11 1 1 A 38 38 TRP H H 38 8.931 9.563 -0.632 1 1 409 . 11 1 1 A 38 38 TRP HA H 38 4.329 4.781 -0.452 1 1 418 . 11 1 1 A 38 38 TRP C C 38 174.345 175.530 -1.185 1 1 419 . 11 1 1 A 38 38 TRP CA C 38 58.230 56.171 2.059 1 1 420 . 11 1 1 A 38 38 TRP CB C 38 28.846 28.965 -0.119 1 1 426 . 11 1 1 A 38 38 TRP N N 38 125.317 127.184 -1.867 1 1 428 . 11 1 1 A 39 39 THR H H 39 8.366 8.692 -0.326 1 1 429 . 11 1 1 A 39 39 THR HA H 39 5.535 5.248 0.287 1 1 434 . 11 1 1 A 39 39 THR C C 39 173.303 174.276 -0.973 1 1 435 . 11 1 1 A 39 39 THR CA C 39 62.037 61.915 0.122 1 1 436 . 11 1 1 A 39 39 THR CB C 39 70.295 70.451 -0.156 1 1 438 . 11 1 1 A 39 39 THR N N 39 127.024 122.617 4.407 1 1 439 . 11 1 1 A 40 40 GLU H H 40 8.902 9.186 -0.284 1 1 440 . 11 1 1 A 40 40 GLU HA H 40 4.816 4.949 -0.133 1 1 445 . 11 1 1 A 40 40 GLU C C 40 175.351 174.727 0.624 1 1 446 . 11 1 1 A 40 40 GLU CA C 40 53.607 55.042 -1.435 1 1 447 . 11 1 1 A 40 40 GLU CB C 40 34.639 32.800 1.839 1 1 449 . 11 1 1 A 40 40 GLU N N 40 120.613 123.582 -2.969 1 1 450 . 11 1 1 A 41 41 LEU H H 41 8.910 8.505 0.405 1 1 451 . 11 1 1 A 41 41 LEU HA H 41 5.168 5.059 0.109 1 1 461 . 11 1 1 A 41 41 LEU C C 41 174.806 175.381 -0.575 1 1 462 . 11 1 1 A 41 41 LEU CA C 41 53.872 54.122 -0.250 1 1 463 . 11 1 1 A 41 41 LEU CB C 41 43.610 43.867 -0.257 1 1 467 . 11 1 1 A 41 41 LEU N N 41 123.682 127.889 -4.207 1 1 468 . 11 1 1 A 42 42 ARG H H 42 9.150 8.484 0.666 1 1 469 . 11 1 1 A 42 42 ARG HA H 42 5.182 4.274 0.908 1 1 474 . 11 1 1 A 42 42 ARG C C 42 176.272 175.794 0.478 1 1 475 . 11 1 1 A 42 42 ARG CA C 42 53.643 55.022 -1.379 1 1 476 . 11 1 1 A 42 42 ARG CB C 42 33.205 32.679 0.526 1 1 479 . 11 1 1 A 42 42 ARG N N 42 127.645 127.838 -0.193 1 1 480 . 11 1 1 A 43 43 GLY H H 43 6.304 7.318 -1.014 1 1 481 . 11 1 1 A 43 43 GLY HA2 H 43 3.917 3.685 0.232 1 1 482 . 11 1 1 A 43 43 GLY HA3 H 43 3.812 3.688 0.124 1 1 483 . 11 1 1 A 43 43 GLY C C 43 171.630 174.520 -2.890 1 1 484 . 11 1 1 A 43 43 GLY CA C 43 47.025 47.150 -0.125 1 1 485 . 11 1 1 A 43 43 GLY N N 43 112.565 114.488 -1.923 1 1 486 . 11 1 1 A 44 44 THR H H 44 7.841 8.282 -0.441 1 1 487 . 11 1 1 A 44 44 THR HA H 44 4.313 4.654 -0.341 1 1 492 . 11 1 1 A 44 44 THR C C 44 172.515 173.444 -0.929 1 1 493 . 11 1 1 A 44 44 THR CA C 44 60.207 60.702 -0.495 1 1 494 . 11 1 1 A 44 44 THR CB C 44 68.320 69.720 -1.400 1 1 496 . 11 1 1 A 44 44 THR N N 44 111.769 117.819 -6.050 1 1 497 . 11 1 1 A 45 45 THR H H 45 8.500 8.225 0.275 1 1 498 . 11 1 1 A 45 45 THR HA H 45 4.664 4.670 -0.006 1 1 503 . 11 1 1 A 45 45 THR C C 45 172.224 173.183 -0.959 1 1 504 . 11 1 1 A 45 45 THR CA C 45 62.413 61.423 0.990 1 1 505 . 11 1 1 A 45 45 THR CB C 45 69.848 70.197 -0.349 1 1 507 . 11 1 1 A 45 45 THR N N 45 118.681 117.202 1.479 1 1 508 . 11 1 1 A 46 46 LEU H H 46 8.391 8.937 -0.546 1 1 509 . 11 1 1 A 46 46 LEU HA H 46 4.892 4.870 0.022 1 1 519 . 11 1 1 A 46 46 LEU C C 46 174.260 175.236 -0.976 1 1 520 . 11 1 1 A 46 46 LEU CA C 46 52.654 53.408 -0.754 1 1 521 . 11 1 1 A 46 46 LEU CB C 46 42.911 42.940 -0.029 1 1 525 . 11 1 1 A 46 46 LEU N N 46 125.559 127.375 -1.816 1 1 526 . 11 1 1 A 47 47 PHE H H 47 9.131 9.139 -0.008 1 1 527 . 11 1 1 A 47 47 PHE HA H 47 3.940 4.474 -0.534 1 1 535 . 11 1 1 A 47 47 PHE C C 47 173.363 174.634 -1.271 1 1 536 . 11 1 1 A 47 47 PHE CA C 47 57.454 56.234 1.220 1 1 537 . 11 1 1 A 47 47 PHE CB C 47 42.747 41.892 0.855 1 1 543 . 11 1 1 A 47 47 PHE N N 47 121.095 123.120 -2.025 1 1 544 . 11 1 1 A 48 48 PHE H H 48 7.881 8.806 -0.925 1 1 545 . 11 1 1 A 48 48 PHE HA H 48 5.021 5.175 -0.154 1 1 553 . 11 1 1 A 48 48 PHE C C 48 173.727 174.288 -0.561 1 1 554 . 11 1 1 A 48 48 PHE CA C 48 56.166 56.834 -0.668 1 1 555 . 11 1 1 A 48 48 PHE CB C 48 39.169 40.867 -1.698 1 1 561 . 11 1 1 A 48 48 PHE N N 48 120.063 119.783 0.280 1 1 562 . 11 1 1 A 49 49 TYR H H 49 9.972 9.809 0.163 1 1 563 . 11 1 1 A 49 49 TYR HA H 49 5.190 5.243 -0.053 1 1 570 . 11 1 1 A 49 49 TYR C C 49 176.587 176.171 0.416 1 1 571 . 11 1 1 A 49 49 TYR CA C 49 56.254 57.057 -0.803 1 1 572 . 11 1 1 A 49 49 TYR CB C 49 41.842 42.827 -0.985 1 1 577 . 11 1 1 A 49 49 TYR N N 49 121.415 122.213 -0.798 1 1 578 . 11 1 1 A 50 50 THR H H 50 9.511 9.158 0.353 1 1 579 . 11 1 1 A 50 50 THR HA H 50 4.571 4.891 -0.320 1 1 584 . 11 1 1 A 50 50 THR C C 50 174.793 175.033 -0.240 1 1 585 . 11 1 1 A 50 50 THR CA C 50 65.361 62.690 2.671 1 1 586 . 11 1 1 A 50 50 THR CB C 50 69.043 69.940 -0.897 1 1 588 . 11 1 1 A 50 50 THR N N 50 114.446 113.593 0.853 1 1 589 . 11 1 1 A 51 51 ASP H H 51 7.828 7.866 -0.038 1 1 590 . 11 1 1 A 51 51 ASP HA H 51 4.803 5.139 -0.336 1 1 593 . 11 1 1 A 51 51 ASP C C 51 174.685 175.789 -1.104 1 1 594 . 11 1 1 A 51 51 ASP CA C 51 53.254 53.385 -0.131 1 1 595 . 11 1 1 A 51 51 ASP CB C 51 43.586 45.019 -1.433 1 1 596 . 11 1 1 A 51 51 ASP N N 51 115.656 120.102 -4.446 1 1 597 . 11 1 1 A 52 52 LYS H H 52 8.271 8.895 -0.624 1 1 598 . 11 1 1 A 52 52 LYS HA H 52 2.800 3.432 -0.632 1 1 607 . 11 1 1 A 52 52 LYS C C 52 176.671 177.957 -1.286 1 1 608 . 11 1 1 A 52 52 LYS CA C 52 58.372 59.716 -1.344 1 1 609 . 11 1 1 A 52 52 LYS CB C 52 32.178 31.666 0.512 1 1 613 . 11 1 1 A 52 52 LYS N N 52 119.009 123.119 -4.110 1 1 614 . 11 1 1 A 53 53 LYS H H 53 8.068 7.962 0.106 1 1 615 . 11 1 1 A 53 53 LYS HA H 53 4.109 3.994 0.115 1 1 624 . 11 1 1 A 53 53 LYS C C 53 176.950 177.674 -0.724 1 1 625 . 11 1 1 A 53 53 LYS CA C 53 55.830 59.432 -3.602 1 1 626 . 11 1 1 A 53 53 LYS CB C 53 32.301 32.060 0.241 1 1 630 . 11 1 1 A 53 53 LYS N N 53 116.395 120.127 -3.732 1 1 631 . 11 1 1 A 54 54 SER H H 54 7.549 7.740 -0.191 1 1 632 . 11 1 1 A 54 54 SER HA H 54 4.316 4.383 -0.067 1 1 635 . 11 1 1 A 54 54 SER C C 54 174.394 174.177 0.217 1 1 636 . 11 1 1 A 54 54 SER CA C 54 59.395 60.779 -1.384 1 1 637 . 11 1 1 A 54 54 SER CB C 54 64.337 63.786 0.551 1 1 638 . 11 1 1 A 54 54 SER N N 54 116.653 114.788 1.865 1 1 639 . 11 1 1 A 55 55 ILE H H 55 8.424 9.102 -0.678 1 1 640 . 11 1 1 A 55 55 ILE HA H 55 4.267 4.208 0.059 1 1 650 . 11 1 1 A 55 55 ILE C C 55 174.999 176.173 -1.174 1 1 651 . 11 1 1 A 55 55 ILE CA C 55 62.213 62.915 -0.702 1 1 652 . 11 1 1 A 55 55 ILE CB C 55 38.728 38.903 -0.175 1 1 656 . 11 1 1 A 55 55 ILE N N 55 118.660 126.919 -8.259 1 1 657 . 11 1 1 A 56 56 ILE H H 56 7.771 7.864 -0.093 1 1 658 . 11 1 1 A 56 56 ILE HA H 56 4.561 4.249 0.312 1 1 668 . 11 1 1 A 56 56 ILE C C 56 175.266 175.061 0.205 1 1 669 . 11 1 1 A 56 56 ILE CA C 56 59.342 60.318 -0.976 1 1 670 . 11 1 1 A 56 56 ILE CB C 56 39.506 38.335 1.171 1 1 674 . 11 1 1 A 56 56 ILE N N 56 119.568 120.209 -0.641 1 1 675 . 11 1 1 A 57 57 TYR H H 57 7.251 8.567 -1.316 1 1 676 . 11 1 1 A 57 57 TYR HA H 57 4.261 4.048 0.213 1 1 683 . 11 1 1 A 57 57 TYR C C 57 174.902 176.171 -1.269 1 1 684 . 11 1 1 A 57 57 TYR CA C 57 56.201 57.296 -1.095 1 1 685 . 11 1 1 A 57 57 TYR CB C 57 37.230 38.871 -1.641 1 1 690 . 11 1 1 A 58 58 VAL H H 58 9.157 8.457 0.700 1 1 691 . 11 1 1 A 58 58 VAL HA H 58 4.251 3.936 0.315 1 1 699 . 11 1 1 A 58 58 VAL C C 58 175.812 175.025 0.787 1 1 700 . 11 1 1 A 58 58 VAL CA C 58 62.360 64.759 -2.399 1 1 701 . 11 1 1 A 58 58 VAL CB C 58 33.123 32.298 0.825 1 1 704 . 11 1 1 A 58 58 VAL N N 58 116.888 120.167 -3.279 1 1 705 . 11 1 1 A 59 59 ASP H H 59 7.990 7.568 0.422 1 1 706 . 11 1 1 A 59 59 ASP HA H 59 4.970 5.226 -0.256 1 1 709 . 11 1 1 A 59 59 ASP C C 59 172.346 173.987 -1.641 1 1 710 . 11 1 1 A 59 59 ASP CA C 59 52.601 54.019 -1.418 1 1 711 . 11 1 1 A 59 59 ASP CB C 59 42.952 44.209 -1.257 1 1 712 . 11 1 1 A 59 59 ASP N N 59 117.301 119.999 -2.698 1 1 713 . 11 1 1 A 60 60 LYS H H 60 8.991 8.771 0.220 1 1 714 . 11 1 1 A 60 60 LYS HA H 60 4.761 4.642 0.119 1 1 723 . 11 1 1 A 60 60 LYS C C 60 173.666 174.760 -1.094 1 1 724 . 11 1 1 A 60 60 LYS CA C 60 54.718 53.744 0.974 1 1 725 . 11 1 1 A 60 60 LYS CB C 60 35.097 35.867 -0.770 1 1 729 . 11 1 1 A 60 60 LYS N N 60 118.648 119.738 -1.090 1 1 730 . 11 1 1 A 61 61 LEU H H 61 8.702 8.921 -0.219 1 1 731 . 11 1 1 A 61 61 LEU HA H 61 4.462 5.013 -0.551 1 1 741 . 11 1 1 A 61 61 LEU C C 61 173.630 175.193 -1.563 1 1 742 . 11 1 1 A 61 61 LEU CA C 61 54.065 53.264 0.801 1 1 743 . 11 1 1 A 61 61 LEU CB C 61 47.032 46.174 0.858 1 1 747 . 11 1 1 A 61 61 LEU N N 61 121.890 121.428 0.462 1 1 748 . 11 1 1 A 62 62 ASP H H 62 8.868 8.626 0.242 1 1 749 . 11 1 1 A 62 62 ASP HA H 62 4.841 5.287 -0.446 1 1 752 . 11 1 1 A 62 62 ASP C C 62 178.029 175.006 3.023 1 1 753 . 11 1 1 A 62 62 ASP CA C 62 53.819 52.597 1.222 1 1 754 . 11 1 1 A 62 62 ASP CB C 62 40.772 44.199 -3.427 1 1 755 . 11 1 1 A 62 62 ASP N N 62 128.697 119.747 8.950 1 1 756 . 11 1 1 A 63 63 ILE H H 63 9.261 8.422 0.839 1 1 757 . 11 1 1 A 63 63 ILE HA H 63 4.554 4.605 -0.051 1 1 767 . 11 1 1 A 63 63 ILE C C 63 175.617 176.925 -1.308 1 1 768 . 11 1 1 A 63 63 ILE CA C 63 60.736 60.193 0.543 1 1 769 . 11 1 1 A 63 63 ILE CB C 63 38.364 37.822 0.542 1 1 773 . 11 1 1 A 63 63 ILE N N 63 120.253 119.855 0.398 1 1 774 . 11 1 1 A 64 64 VAL H H 64 8.010 7.652 0.358 1 1 775 . 11 1 1 A 64 64 VAL HA H 64 3.781 3.897 -0.116 1 1 783 . 11 1 1 A 64 64 VAL C C 64 174.878 177.271 -2.393 1 1 784 . 11 1 1 A 64 64 VAL CA C 64 65.572 64.630 0.942 1 1 785 . 11 1 1 A 64 64 VAL CB C 64 30.532 31.715 -1.183 1 1 788 . 11 1 1 A 64 64 VAL N N 64 122.413 122.406 0.007 1 1 789 . 11 1 1 A 65 65 ASP H H 65 8.391 7.726 0.665 1 1 790 . 11 1 1 A 65 65 ASP HA H 65 4.841 4.725 0.116 1 1 793 . 11 1 1 A 65 65 ASP C C 65 174.854 176.044 -1.190 1 1 794 . 11 1 1 A 65 65 ASP CA C 65 53.483 53.593 -0.110 1 1 795 . 11 1 1 A 65 65 ASP CB C 65 40.114 41.363 -1.249 1 1 796 . 11 1 1 A 65 65 ASP N N 65 119.308 119.879 -0.571 1 1 797 . 11 1 1 A 66 66 LEU H H 66 7.517 7.280 0.237 1 1 798 . 11 1 1 A 66 66 LEU HA H 66 3.962 4.261 -0.299 1 1 808 . 11 1 1 A 66 66 LEU C C 66 176.708 177.411 -0.703 1 1 809 . 11 1 1 A 66 66 LEU CA C 66 57.471 56.461 1.010 1 1 810 . 11 1 1 A 66 66 LEU CB C 66 43.322 42.639 0.683 1 1 814 . 11 1 1 A 66 66 LEU N N 66 120.009 123.369 -3.360 1 1 815 . 11 1 1 A 67 67 THR H H 67 9.329 10.188 -0.859 1 1 816 . 11 1 1 A 67 67 THR HA H 67 4.363 4.384 -0.021 1 1 821 . 11 1 1 A 67 67 THR C C 67 175.145 174.143 1.002 1 1 822 . 11 1 1 A 67 67 THR CA C 67 64.019 63.300 0.719 1 1 823 . 11 1 1 A 67 67 THR CB C 67 69.107 69.157 -0.050 1 1 825 . 11 1 1 A 67 67 THR N N 67 123.534 120.971 2.563 1 1 826 . 11 1 1 A 68 68 CYS H H 68 7.584 7.018 0.566 1 1 827 . 11 1 1 A 68 68 CYS HA H 68 4.604 4.743 -0.139 1 1 830 . 11 1 1 A 68 68 CYS C C 68 170.528 172.279 -1.751 1 1 831 . 11 1 1 A 68 68 CYS CA C 68 57.402 58.661 -1.259 1 1 832 . 11 1 1 A 68 68 CYS CB C 68 29.175 31.156 -1.981 1 1 833 . 11 1 1 A 68 68 CYS N N 68 115.015 116.132 -1.117 1 1 834 . 11 1 1 A 69 69 LEU H H 69 8.730 8.674 0.056 1 1 835 . 11 1 1 A 69 69 LEU HA H 69 5.411 5.060 0.351 1 1 845 . 11 1 1 A 69 69 LEU C C 69 176.356 175.684 0.672 1 1 846 . 11 1 1 A 69 69 LEU CA C 69 54.242 54.221 0.021 1 1 847 . 11 1 1 A 69 69 LEU CB C 69 44.885 45.601 -0.716 1 1 851 . 11 1 1 A 69 69 LEU N N 69 125.633 122.728 2.905 1 1 852 . 11 1 1 A 70 70 THR H H 70 9.197 8.528 0.669 1 1 853 . 11 1 1 A 70 70 THR HA H 70 4.702 5.124 -0.422 1 1 858 . 11 1 1 A 70 70 THR C C 70 173.582 173.727 -0.145 1 1 859 . 11 1 1 A 70 70 THR CA C 70 60.384 60.152 0.232 1 1 860 . 11 1 1 A 70 70 THR CB C 70 70.870 71.271 -0.401 1 1 862 . 11 1 1 A 70 70 THR N N 70 120.391 118.405 1.986 1 1 863 . 11 1 1 A 71 71 GLU H H 71 8.965 8.909 0.056 1 1 864 . 11 1 1 A 71 71 GLU HA H 71 4.685 5.379 -0.694 1 1 869 . 11 1 1 A 71 71 GLU C C 71 175.957 175.322 0.635 1 1 870 . 11 1 1 A 71 71 GLU CA C 71 56.254 54.676 1.578 1 1 871 . 11 1 1 A 71 71 GLU CB C 71 31.396 32.028 -0.632 1 1 873 . 11 1 1 A 71 71 GLU N N 71 124.718 120.192 4.526 1 1 874 . 11 1 1 A 72 72 GLN H H 72 8.318 8.925 -0.607 1 1 875 . 11 1 1 A 72 72 GLN HA H 72 4.629 4.733 -0.104 1 1 882 . 11 1 1 A 72 72 GLN C C 72 175.254 175.191 0.063 1 1 883 . 11 1 1 A 72 72 GLN CA C 72 55.336 55.627 -0.291 1 1 884 . 11 1 1 A 72 72 GLN CB C 72 30.533 29.597 0.936 1 1 886 . 11 1 1 A 72 72 GLN N N 72 123.543 124.557 -1.014 1 1 888 . 11 1 1 A 73 73 ASN H H 73 8.670 8.853 -0.183 1 1 889 . 11 1 1 A 73 73 ASN HA H 73 4.688 5.339 -0.651 1 1 894 . 11 1 1 A 73 73 ASN C C 73 175.229 173.195 2.034 1 1 895 . 11 1 1 A 73 73 ASN CA C 73 53.607 52.291 1.316 1 1 896 . 11 1 1 A 73 73 ASN CB C 73 39.169 41.581 -2.412 1 1 897 . 11 1 1 A 73 73 ASN N N 73 120.534 122.797 -2.263 1 1 899 . 11 1 1 A 74 74 SER H H 74 8.641 8.542 0.099 1 1 900 . 11 1 1 A 74 74 SER HA H 74 4.652 4.798 -0.146 1 1 903 . 11 1 1 A 74 74 SER C C 74 175.121 174.209 0.912 1 1 904 . 11 1 1 A 74 74 SER CA C 74 58.409 57.920 0.489 1 1 905 . 11 1 1 A 74 74 SER CB C 74 64.401 65.861 -1.460 1 1 906 . 11 1 1 A 74 74 SER N N 74 117.448 115.529 1.919 1 1 907 . 11 1 1 A 75 75 THR HA H 75 4.282 3.931 0.351 1 1 912 . 11 1 1 A 75 75 THR C C 75 174.878 173.725 1.153 1 1 913 . 11 1 1 A 75 75 THR CA C 75 62.819 65.101 -2.282 1 1 914 . 11 1 1 A 75 75 THR CB C 75 69.061 67.332 1.729 1 1 916 . 11 1 1 A 76 76 GLU H H 76 8.156 8.355 -0.199 1 1 917 . 11 1 1 A 76 76 GLU HA H 76 4.350 4.327 0.023 1 1 922 . 11 1 1 A 76 76 GLU C C 76 176.138 174.928 1.210 1 1 923 . 11 1 1 A 76 76 GLU CA C 76 56.202 57.222 -1.020 1 1 924 . 11 1 1 A 76 76 GLU CB C 76 30.532 30.822 -0.290 1 1 926 . 11 1 1 A 76 76 GLU N N 76 122.220 121.131 1.089 1 1 927 . 11 1 1 A 77 77 LYS H H 77 8.443 8.644 -0.201 1 1 928 . 11 1 1 A 77 77 LYS HA H 77 4.221 4.812 -0.591 1 1 937 . 11 1 1 A 77 77 LYS C C 77 176.465 174.753 1.712 1 1 938 . 11 1 1 A 77 77 LYS CA C 77 56.730 54.779 1.951 1 1 939 . 11 1 1 A 77 77 LYS CB C 77 32.301 34.053 -1.752 1 1 943 . 11 1 1 A 77 77 LYS N N 77 122.162 123.522 -1.360 1 1 944 . 11 1 1 A 78 78 ASN H H 78 8.621 8.842 -0.221 1 1 945 . 11 1 1 A 78 78 ASN HA H 78 4.641 5.126 -0.485 1 1 950 . 11 1 1 A 78 78 ASN C C 78 173.485 174.565 -1.080 1 1 951 . 11 1 1 A 78 78 ASN CA C 78 53.748 51.968 1.780 1 1 952 . 11 1 1 A 78 78 ASN CB C 78 38.058 40.114 -2.056 1 1 953 . 11 1 1 A 78 78 ASN N N 78 116.583 125.066 -8.483 1 1 955 . 11 1 1 A 79 79 CYS H H 79 7.551 8.416 -0.865 1 1 956 . 11 1 1 A 79 79 CYS HA H 79 4.371 4.358 0.013 1 1 959 . 11 1 1 A 79 79 CYS C C 79 172.515 174.006 -1.491 1 1 960 . 11 1 1 A 79 79 CYS CA C 79 57.295 61.329 -4.034 1 1 961 . 11 1 1 A 79 79 CYS CB C 79 29.628 26.680 2.948 1 1 962 . 11 1 1 A 79 79 CYS N N 79 112.640 124.429 -11.789 1 1 963 . 11 1 1 A 80 80 ALA H H 80 7.642 8.626 -0.984 1 1 964 . 11 1 1 A 80 80 ALA HA H 80 4.727 4.636 0.091 1 1 968 . 11 1 1 A 80 80 ALA C C 80 175.314 176.697 -1.383 1 1 969 . 11 1 1 A 80 80 ALA CA C 80 51.330 51.384 -0.054 1 1 970 . 11 1 1 A 80 80 ALA CB C 80 21.896 19.935 1.961 1 1 971 . 11 1 1 A 80 80 ALA N N 80 124.099 126.417 -2.318 1 1 972 . 11 1 1 A 81 81 LYS H H 81 8.459 8.715 -0.256 1 1 973 . 11 1 1 A 81 81 LYS HA H 81 5.112 4.790 0.322 1 1 982 . 11 1 1 A 81 81 LYS C C 81 174.781 175.421 -0.640 1 1 983 . 11 1 1 A 81 81 LYS CA C 81 55.283 54.644 0.639 1 1 984 . 11 1 1 A 81 81 LYS CB C 81 36.133 34.598 1.535 1 1 988 . 11 1 1 A 81 81 LYS N N 81 119.796 123.684 -3.888 1 1 989 . 11 1 1 A 82 82 PHE H H 82 8.748 8.254 0.494 1 1 990 . 11 1 1 A 82 82 PHE HA H 82 5.513 5.548 -0.035 1 1 998 . 11 1 1 A 82 82 PHE C C 82 174.357 172.372 1.985 1 1 999 . 11 1 1 A 82 82 PHE CA C 82 55.643 56.217 -0.574 1 1 1000 . 11 1 1 A 82 82 PHE CB C 82 42.089 42.224 -0.135 1 1 1006 . 11 1 1 A 82 82 PHE N N 82 119.073 119.828 -0.755 1 1 1007 . 11 1 1 A 83 83 THR H H 83 9.290 8.430 0.860 1 1 1008 . 11 1 1 A 83 83 THR HA H 83 5.032 5.230 -0.198 1 1 1013 . 11 1 1 A 83 83 THR C C 83 173.472 174.488 -1.016 1 1 1014 . 11 1 1 A 83 83 THR CA C 83 62.113 61.521 0.592 1 1 1015 . 11 1 1 A 83 83 THR CB C 83 71.076 70.476 0.600 1 1 1017 . 11 1 1 A 83 83 THR N N 83 116.845 116.194 0.651 1 1 1018 . 11 1 1 A 84 84 LEU H H 84 9.502 9.120 0.382 1 1 1019 . 11 1 1 A 84 84 LEU HA H 84 4.691 4.598 0.093 1 1 1029 . 11 1 1 A 84 84 LEU C C 84 174.308 176.442 -2.134 1 1 1030 . 11 1 1 A 84 84 LEU CA C 84 54.224 54.577 -0.353 1 1 1031 . 11 1 1 A 84 84 LEU CB C 84 41.636 41.113 0.523 1 1 1035 . 11 1 1 A 84 84 LEU N N 84 125.923 128.385 -2.462 1 1 1036 . 11 1 1 A 85 85 VAL H H 85 8.620 8.438 0.182 1 1 1037 . 11 1 1 A 85 85 VAL HA H 85 4.151 4.277 -0.126 1 1 1045 . 11 1 1 A 85 85 VAL C C 85 174.188 175.578 -1.390 1 1 1046 . 11 1 1 A 85 85 VAL CA C 85 63.649 62.970 0.679 1 1 1047 . 11 1 1 A 85 85 VAL CB C 85 30.861 31.403 -0.542 1 1 1050 . 11 1 1 A 85 85 VAL N N 85 126.007 125.502 0.505 1 1 1051 . 11 1 1 A 86 86 LEU H H 86 8.534 8.571 -0.037 1 1 1052 . 11 1 1 A 86 86 LEU HA H 86 4.853 4.825 0.028 1 1 1062 . 11 1 1 A 86 86 LEU C C 86 174.878 176.656 -1.778 1 1 1063 . 11 1 1 A 86 86 LEU CA C 86 53.183 51.758 1.425 1 1 1064 . 11 1 1 A 86 86 LEU CB C 86 40.485 44.685 -4.200 1 1 1068 . 11 1 1 A 86 86 LEU N N 86 129.551 128.449 1.102 1 1 1069 . 11 1 1 A 87 87 PRO HA H 87 4.221 4.545 -0.324 1 1 1076 . 11 1 1 A 87 87 PRO C C 87 178.223 177.082 1.141 1 1 1077 . 11 1 1 A 87 87 PRO CA C 87 66.455 64.179 2.276 1 1 1078 . 11 1 1 A 87 87 PRO CB C 87 32.260 31.596 0.664 1 1 1081 . 11 1 1 A 88 88 LYS H H 88 8.414 8.215 0.199 1 1 1082 . 11 1 1 A 88 88 LYS HA H 88 4.548 4.397 0.151 1 1 1091 . 11 1 1 A 88 88 LYS C C 88 176.187 176.611 -0.424 1 1 1092 . 11 1 1 A 88 88 LYS CA C 88 55.071 57.018 -1.947 1 1 1093 . 11 1 1 A 88 88 LYS CB C 88 33.534 34.146 -0.612 1 1 1097 . 11 1 1 A 88 88 LYS N N 88 110.404 116.791 -6.387 1 1 1098 . 11 1 1 A 89 89 GLU H H 89 7.208 7.765 -0.557 1 1 1099 . 11 1 1 A 89 89 GLU HA H 89 4.561 4.733 -0.172 1 1 1104 . 11 1 1 A 89 89 GLU C C 89 172.527 174.440 -1.913 1 1 1105 . 11 1 1 A 89 89 GLU CA C 89 56.007 55.733 0.274 1 1 1106 . 11 1 1 A 89 89 GLU CB C 89 33.082 33.544 -0.462 1 1 1108 . 11 1 1 A 89 89 GLU N N 89 116.828 114.923 1.905 1 1 1109 . 11 1 1 A 90 90 GLU H H 90 8.321 8.556 -0.235 1 1 1110 . 11 1 1 A 90 90 GLU HA H 90 5.249 5.161 0.088 1 1 1115 . 11 1 1 A 90 90 GLU C C 90 176.296 175.922 0.374 1 1 1116 . 11 1 1 A 90 90 GLU CA C 90 54.860 56.103 -1.243 1 1 1117 . 11 1 1 A 90 90 GLU CB C 90 31.972 31.576 0.396 1 1 1119 . 11 1 1 A 90 90 GLU N N 90 119.609 124.414 -4.805 1 1 1120 . 11 1 1 A 91 91 VAL H H 91 8.972 8.312 0.660 1 1 1121 . 11 1 1 A 91 91 VAL HA H 91 4.352 4.773 -0.421 1 1 1129 . 11 1 1 A 91 91 VAL C C 91 174.284 174.520 -0.236 1 1 1130 . 11 1 1 A 91 91 VAL CA C 91 61.284 60.201 1.083 1 1 1131 . 11 1 1 A 91 91 VAL CB C 91 34.891 35.730 -0.839 1 1 1134 . 11 1 1 A 91 91 VAL N N 91 123.947 121.056 2.891 1 1 1135 . 11 1 1 A 92 92 GLN H H 92 8.241 8.626 -0.385 1 1 1136 . 11 1 1 A 92 92 GLN HA H 92 4.930 5.050 -0.120 1 1 1143 . 11 1 1 A 92 92 GLN C C 92 174.115 175.125 -1.010 1 1 1144 . 11 1 1 A 92 92 GLN CA C 92 55.583 54.664 0.919 1 1 1145 . 11 1 1 A 92 92 GLN CB C 92 30.121 31.033 -0.912 1 1 1147 . 11 1 1 A 92 92 GLN N N 92 125.869 125.759 0.110 1 1 1149 . 11 1 1 A 93 93 LEU H H 93 9.145 8.586 0.559 1 1 1150 . 11 1 1 A 93 93 LEU HA H 93 5.456 5.151 0.305 1 1 1160 . 11 1 1 A 93 93 LEU C C 93 176.256 175.291 0.965 1 1 1161 . 11 1 1 A 93 93 LEU CA C 93 53.801 53.523 0.278 1 1 1162 . 11 1 1 A 93 93 LEU CB C 93 45.913 46.252 -0.339 1 1 1166 . 11 1 1 A 93 93 LEU N N 93 123.952 124.326 -0.374 1 1 1167 . 11 1 1 A 94 94 LYS H H 94 9.255 8.220 1.035 1 1 1168 . 11 1 1 A 94 94 LYS HA H 94 5.452 4.415 1.037 1 1 1177 . 11 1 1 A 94 94 LYS C C 94 174.563 174.352 0.211 1 1 1178 . 11 1 1 A 94 94 LYS CA C 94 54.718 55.276 -0.558 1 1 1179 . 11 1 1 A 94 94 LYS CB C 94 36.571 36.274 0.297 1 1 1183 . 11 1 1 A 94 94 LYS N N 94 124.618 121.805 2.813 1 1 1184 . 11 1 1 A 95 95 THR H H 95 8.582 8.298 0.284 1 1 1185 . 11 1 1 A 95 95 THR HA H 95 4.946 4.912 0.034 1 1 1190 . 11 1 1 A 95 95 THR C C 95 175.278 175.322 -0.044 1 1 1191 . 11 1 1 A 95 95 THR CA C 95 59.908 59.215 0.693 1 1 1192 . 11 1 1 A 95 95 THR CB C 95 70.917 71.600 -0.683 1 1 1194 . 11 1 1 A 95 95 THR N N 95 112.788 115.235 -2.447 1 1 1195 . 11 1 1 A 96 96 GLU H H 96 9.033 8.758 0.275 1 1 1196 . 11 1 1 A 96 96 GLU HA H 96 4.321 4.365 -0.044 1 1 1201 . 11 1 1 A 96 96 GLU C C 96 175.435 176.554 -1.119 1 1 1202 . 11 1 1 A 96 96 GLU CA C 96 57.595 58.268 -0.673 1 1 1203 . 11 1 1 A 96 96 GLU CB C 96 30.656 30.460 0.196 1 1 1205 . 11 1 1 A 96 96 GLU N N 96 117.745 120.842 -3.097 1 1 1206 . 11 1 1 A 97 97 ASN H H 97 7.562 8.228 -0.666 1 1 1207 . 11 1 1 A 97 97 ASN HA H 97 5.074 5.026 0.048 1 1 1212 . 11 1 1 A 97 97 ASN C C 97 176.575 176.397 0.178 1 1 1213 . 11 1 1 A 97 97 ASN CA C 97 52.195 51.714 0.481 1 1 1214 . 11 1 1 A 97 97 ASN CB C 97 40.485 39.650 0.835 1 1 1215 . 11 1 1 A 97 97 ASN N N 97 110.462 117.153 -6.691 1 1 1217 . 11 1 1 A 98 98 THR HA H 98 3.916 3.901 0.015 1 1 1222 . 11 1 1 A 98 98 THR C C 98 176.938 176.109 0.829 1 1 1223 . 11 1 1 A 98 98 THR CA C 98 66.349 66.848 -0.499 1 1 1224 . 11 1 1 A 98 98 THR CB C 98 68.638 68.945 -0.307 1 1 1226 . 11 1 1 A 99 99 GLU H H 99 9.316 8.448 0.868 1 1 1227 . 11 1 1 A 99 99 GLU HA H 99 4.221 4.089 0.132 1 1 1232 . 11 1 1 A 99 99 GLU C C 99 179.241 179.032 0.209 1 1 1233 . 11 1 1 A 99 99 GLU CA C 99 60.754 59.591 1.163 1 1 1234 . 11 1 1 A 99 99 GLU CB C 99 28.764 29.660 -0.896 1 1 1236 . 11 1 1 A 99 99 GLU N N 99 125.868 120.129 5.739 1 1 1237 . 11 1 1 A 100 100 SER H H 100 8.739 8.481 0.258 1 1 1238 . 11 1 1 A 100 100 SER HA H 100 4.863 4.481 0.382 1 1 1241 . 11 1 1 A 100 100 SER C C 100 177.411 177.428 -0.017 1 1 1242 . 11 1 1 A 100 100 SER CA C 100 61.037 62.604 -1.567 1 1 1243 . 11 1 1 A 100 100 SER CB C 100 63.879 63.212 0.667 1 1 1244 . 11 1 1 A 100 100 SER N N 100 114.755 117.287 -2.532 1 1 1245 . 11 1 1 A 101 101 GLY H H 101 7.879 8.750 -0.871 1 1 1246 . 11 1 1 A 101 101 GLY HA2 H 101 4.139 3.915 0.224 1 1 1247 . 11 1 1 A 101 101 GLY HA3 H 101 4.012 4.017 -0.005 1 1 1248 . 11 1 1 A 101 101 GLY C C 101 174.611 175.927 -1.316 1 1 1249 . 11 1 1 A 101 101 GLY CA C 101 48.948 47.587 1.361 1 1 1250 . 11 1 1 A 101 101 GLY N N 101 108.940 108.941 -0.001 1 1 1251 . 11 1 1 A 102 102 GLU H H 102 7.801 7.935 -0.134 1 1 1252 . 11 1 1 A 102 102 GLU HA H 102 4.171 4.074 0.097 1 1 1257 . 11 1 1 A 102 102 GLU C C 102 179.084 179.247 -0.163 1 1 1258 . 11 1 1 A 102 102 GLU CA C 102 58.601 59.357 -0.756 1 1 1259 . 11 1 1 A 102 102 GLU CB C 102 29.627 29.344 0.283 1 1 1261 . 11 1 1 A 102 102 GLU N N 102 120.720 121.298 -0.578 1 1 1262 . 11 1 1 A 103 103 GLU H H 103 7.781 8.105 -0.324 1 1 1263 . 11 1 1 A 103 103 GLU HA H 103 3.739 3.925 -0.186 1 1 1268 . 11 1 1 A 103 103 GLU C C 103 178.235 179.287 -1.052 1 1 1269 . 11 1 1 A 103 103 GLU CA C 103 60.366 59.140 1.226 1 1 1270 . 11 1 1 A 103 103 GLU CB C 103 30.491 29.330 1.161 1 1 1272 . 11 1 1 A 103 103 GLU N N 103 119.068 119.803 -0.735 1 1 1273 . 11 1 1 A 104 104 TRP H H 104 8.761 8.464 0.297 1 1 1274 . 11 1 1 A 104 104 TRP HA H 104 4.171 4.402 -0.231 1 1 1283 . 11 1 1 A 104 104 TRP C C 104 178.817 178.704 0.113 1 1 1284 . 11 1 1 A 104 104 TRP CA C 104 62.290 60.275 2.015 1 1 1285 . 11 1 1 A 104 104 TRP CB C 104 29.340 29.524 -0.184 1 1 1291 . 11 1 1 A 104 104 TRP N N 104 118.358 121.247 -2.889 1 1 1293 . 11 1 1 A 105 105 ARG H H 105 8.400 8.373 0.027 1 1 1294 . 11 1 1 A 105 105 ARG HA H 105 3.481 3.574 -0.093 1 1 1302 . 11 1 1 A 105 105 ARG C C 105 177.666 179.173 -1.507 1 1 1303 . 11 1 1 A 105 105 ARG CA C 105 60.666 59.505 1.161 1 1 1304 . 11 1 1 A 105 105 ARG CB C 105 30.162 30.285 -0.123 1 1 1307 . 11 1 1 A 105 105 ARG N N 105 117.098 119.533 -2.435 1 1 1309 . 11 1 1 A 106 106 GLY H H 106 8.202 8.780 -0.578 1 1 1310 . 11 1 1 A 106 106 GLY HA2 H 106 3.470 3.554 -0.084 1 1 1311 . 11 1 1 A 106 106 GLY HA3 H 106 3.382 3.601 -0.219 1 1 1312 . 11 1 1 A 106 106 GLY C C 106 176.162 176.369 -0.207 1 1 1313 . 11 1 1 A 106 106 GLY CA C 106 47.554 47.246 0.308 1 1 1314 . 11 1 1 A 106 106 GLY N N 106 104.212 106.968 -2.756 1 1 1315 . 11 1 1 A 107 107 PHE H H 107 8.491 8.920 -0.429 1 1 1316 . 11 1 1 A 107 107 PHE HA H 107 3.722 4.402 -0.680 1 1 1324 . 11 1 1 A 107 107 PHE C C 107 177.265 178.068 -0.803 1 1 1325 . 11 1 1 A 107 107 PHE CA C 107 64.284 59.561 4.723 1 1 1326 . 11 1 1 A 107 107 PHE CB C 107 39.209 38.193 1.016 1 1 1332 . 11 1 1 A 107 107 PHE N N 107 122.710 120.449 2.261 1 1 1333 . 11 1 1 A 108 108 ILE H H 108 8.674 9.122 -0.448 1 1 1334 . 11 1 1 A 108 108 ILE HA H 108 3.523 3.695 -0.172 1 1 1344 . 11 1 1 A 108 108 ILE C C 108 178.623 178.081 0.542 1 1 1345 . 11 1 1 A 108 108 ILE CA C 108 66.384 64.900 1.484 1 1 1346 . 11 1 1 A 108 108 ILE CB C 108 37.852 37.989 -0.137 1 1 1350 . 11 1 1 A 108 108 ILE N N 108 117.395 120.002 -2.607 1 1 1351 . 11 1 1 A 109 109 LEU H H 109 8.378 8.794 -0.416 1 1 1352 . 11 1 1 A 109 109 LEU HA H 109 4.032 4.325 -0.293 1 1 1362 . 11 1 1 A 109 109 LEU C C 109 178.635 179.638 -1.003 1 1 1363 . 11 1 1 A 109 109 LEU CA C 109 57.878 57.617 0.261 1 1 1364 . 11 1 1 A 109 109 LEU CB C 109 40.854 41.552 -0.698 1 1 1368 . 11 1 1 A 109 109 LEU N N 109 118.573 118.798 -0.225 1 1 1369 . 11 1 1 A 110 110 THR H H 110 7.600 7.515 0.085 1 1 1370 . 11 1 1 A 110 110 THR HA H 110 4.110 4.544 -0.434 1 1 1375 . 11 1 1 A 110 110 THR C C 110 177.265 176.004 1.261 1 1 1376 . 11 1 1 A 110 110 THR CA C 110 68.325 65.702 2.623 1 1 1377 . 11 1 1 A 110 110 THR CB C 110 68.230 69.230 -1.000 1 1 1379 . 11 1 1 A 110 110 THR N N 110 115.926 114.994 0.932 1 1 1380 . 11 1 1 A 111 111 VAL H H 111 7.490 7.783 -0.293 1 1 1381 . 11 1 1 A 111 111 VAL HA H 111 3.912 4.156 -0.244 1 1 1389 . 11 1 1 A 111 111 VAL C C 111 174.793 176.682 -1.889 1 1 1390 . 11 1 1 A 111 111 VAL CA C 111 64.601 61.196 3.405 1 1 1391 . 11 1 1 A 111 111 VAL CB C 111 32.007 31.653 0.354 1 1 1394 . 11 1 1 A 111 111 VAL N N 111 109.123 115.780 -6.657 1 1 1395 . 11 1 1 A 112 112 THR H H 112 7.410 7.631 -0.221 1 1 1396 . 11 1 1 A 112 112 THR HA H 112 4.494 4.583 -0.089 1 1 1401 . 11 1 1 A 112 112 THR C C 112 177.265 175.536 1.729 1 1 1402 . 11 1 1 A 112 112 THR CA C 112 62.784 62.126 0.658 1 1 1403 . 11 1 1 A 112 112 THR CB C 112 69.290 70.340 -1.050 1 1 1405 . 11 1 1 A 112 112 THR N N 112 107.046 112.145 -5.099 1 1 1406 . 11 1 1 A 113 113 GLU H H 113 8.541 8.260 0.281 1 1 1407 . 11 1 1 A 113 113 GLU HA H 113 4.280 4.310 -0.030 1 1 1412 . 11 1 1 A 113 113 GLU C C 113 176.745 175.821 0.924 1 1 1413 . 11 1 1 A 113 113 GLU CA C 113 57.048 56.485 0.563 1 1 1414 . 11 1 1 A 113 113 GLU CB C 113 29.422 30.316 -0.894 1 1 1416 . 11 1 1 A 113 113 GLU N N 113 120.888 120.264 0.624 1 1 1417 . 11 1 1 A 114 114 LEU H H 114 7.561 7.599 -0.038 1 1 1418 . 11 1 1 A 114 114 LEU HA H 114 4.042 4.041 0.001 1 1 1428 . 11 1 1 A 114 114 LEU C C 114 175.569 175.454 0.115 1 1 1429 . 11 1 1 A 114 114 LEU CA C 114 55.213 56.401 -1.188 1 1 1430 . 11 1 1 A 114 114 LEU CB C 114 38.182 40.270 -2.088 1 1 1434 . 11 1 1 A 114 114 LEU N N 114 114.453 119.137 -4.684 1 1 1435 . 11 1 1 A 115 115 SER H H 115 7.113 7.652 -0.539 1 1 1436 . 11 1 1 A 115 115 SER HA H 115 4.315 4.677 -0.362 1 1 1439 . 11 1 1 A 115 115 SER C C 115 173.521 172.169 1.352 1 1 1440 . 11 1 1 A 115 115 SER CA C 115 57.454 55.734 1.720 1 1 1441 . 11 1 1 A 115 115 SER CB C 115 64.505 64.984 -0.479 1 1 1442 . 11 1 1 A 115 115 SER N N 115 110.010 112.886 -2.876 1 1 1443 . 11 1 1 A 116 116 VAL H H 116 8.635 8.449 0.186 1 1 1444 . 11 1 1 A 116 116 VAL HA H 116 4.210 4.409 -0.199 1 1 1452 . 11 1 1 A 116 116 VAL C C 116 175.024 174.043 0.981 1 1 1453 . 11 1 1 A 116 116 VAL CA C 116 60.948 58.737 2.211 1 1 1454 . 11 1 1 A 116 116 VAL CB C 116 32.177 35.054 -2.877 1 1 1457 . 11 1 1 A 116 116 VAL N N 116 129.442 120.832 8.610 1 1 1458 . 11 1 1 A 117 117 PRO HA H 117 4.381 4.716 -0.335 1 1 1465 . 11 1 1 A 117 117 PRO C C 117 176.478 177.405 -0.927 1 1 1466 . 11 1 1 A 117 117 PRO CA C 117 62.678 62.494 0.184 1 1 1467 . 11 1 1 A 117 117 PRO CB C 117 31.931 31.760 0.171 1 1 1470 . 11 1 1 A 118 118 GLN H H 118 8.576 8.785 -0.209 1 1 1471 . 11 1 1 A 118 118 GLN HA H 118 4.282 4.294 -0.012 1 1 1478 . 11 1 1 A 118 118 GLN C C 118 176.575 176.488 0.087 1 1 1479 . 11 1 1 A 118 118 GLN CA C 118 55.866 56.935 -1.069 1 1 1480 . 11 1 1 A 118 118 GLN CB C 118 29.704 28.867 0.837 1 1 1482 . 11 1 1 A 118 118 GLN N N 118 118.498 121.403 -2.905 1 1 1484 . 11 1 1 A 119 119 ASN H H 119 8.444 7.711 0.733 1 1 1485 . 11 1 1 A 119 119 ASN HA H 119 4.727 4.866 -0.139 1 1 1490 . 11 1 1 A 119 119 ASN C C 119 174.842 173.672 1.170 1 1 1491 . 11 1 1 A 119 119 ASN CA C 119 52.812 52.666 0.146 1 1 1492 . 11 1 1 A 119 119 ASN CB C 119 37.071 36.755 0.316 1 1 1493 . 11 1 1 A 119 119 ASN N N 119 117.223 116.908 0.315 1 1 1495 . 11 1 1 A 120 120 VAL H H 120 7.182 7.873 -0.691 1 1 1496 . 11 1 1 A 120 120 VAL HA H 120 4.381 4.724 -0.343 1 1 1504 . 11 1 1 A 120 120 VAL C C 120 175.484 175.582 -0.098 1 1 1505 . 11 1 1 A 120 120 VAL CA C 120 60.048 59.414 0.634 1 1 1506 . 11 1 1 A 120 120 VAL CB C 120 34.028 35.225 -1.197 1 1 1509 . 11 1 1 A 120 120 VAL N N 120 114.038 117.807 -3.769 1 1 1510 . 11 1 1 A 121 121 SER H H 121 9.313 8.655 0.658 1 1 1511 . 11 1 1 A 121 121 SER HA H 121 4.552 4.531 0.021 1 1 1514 . 11 1 1 A 121 121 SER C C 121 173.096 174.739 -1.643 1 1 1515 . 11 1 1 A 121 121 SER CA C 121 57.119 59.177 -2.058 1 1 1516 . 11 1 1 A 121 121 SER CB C 121 62.528 63.933 -1.405 1 1 1517 . 11 1 1 A 121 121 SER N N 121 122.117 117.229 4.888 1 1 1518 . 11 1 1 A 122 122 LEU H H 122 7.470 7.309 0.161 1 1 1519 . 11 1 1 A 122 122 LEU HA H 122 4.618 4.248 0.370 1 1 1529 . 11 1 1 A 122 122 LEU C C 122 176.526 176.999 -0.473 1 1 1530 . 11 1 1 A 122 122 LEU CA C 122 52.795 55.245 -2.450 1 1 1531 . 11 1 1 A 122 122 LEU CB C 122 45.790 42.407 3.383 1 1 1535 . 11 1 1 A 122 122 LEU N N 122 122.878 124.300 -1.422 1 1 1536 . 11 1 1 A 123 123 LEU H H 123 8.765 8.388 0.377 1 1 1537 . 11 1 1 A 123 123 LEU HA H 123 4.574 4.734 -0.160 1 1 1547 . 11 1 1 A 123 123 LEU C C 123 176.769 177.060 -0.291 1 1 1548 . 11 1 1 A 123 123 LEU CA C 123 53.748 52.509 1.239 1 1 1549 . 11 1 1 A 123 123 LEU CB C 123 40.649 42.876 -2.227 1 1 1553 . 11 1 1 A 123 123 LEU N N 123 122.054 122.176 -0.122 1 1 1554 . 11 1 1 A 124 124 PRO HA H 124 4.232 4.491 -0.259 1 1 1561 . 11 1 1 A 124 124 PRO CA C 124 66.281 64.064 2.217 1 1 1562 . 11 1 1 A 124 124 PRO CB C 124 31.945 31.783 0.162 1 1 1565 . 11 1 1 A 125 125 GLY HA2 H 125 3.901 3.854 0.047 1 1 1566 . 11 1 1 A 125 125 GLY HA3 H 125 3.901 3.860 0.041 1 1 1567 . 11 1 1 A 125 125 GLY C C 125 176.696 176.155 0.541 1 1 1568 . 11 1 1 A 125 125 GLY CA C 125 46.724 46.633 0.091 1 1 1569 . 11 1 1 A 126 126 GLN H H 126 7.495 7.869 -0.374 1 1 1570 . 11 1 1 A 126 126 GLN HA H 126 4.261 4.037 0.224 1 1 1577 . 11 1 1 A 126 126 GLN C C 126 178.235 178.117 0.118 1 1 1578 . 11 1 1 A 126 126 GLN CA C 126 57.807 58.690 -0.883 1 1 1579 . 11 1 1 A 126 126 GLN CB C 126 30.039 28.537 1.502 1 1 1581 . 11 1 1 A 126 126 GLN N N 126 120.404 122.175 -1.771 1 1 1583 . 11 1 1 A 127 127 VAL H H 127 7.839 7.846 -0.007 1 1 1584 . 11 1 1 A 127 127 VAL HA H 127 3.360 3.498 -0.138 1 1 1592 . 11 1 1 A 127 127 VAL C C 127 178.441 178.273 0.168 1 1 1593 . 11 1 1 A 127 127 VAL CA C 127 67.231 66.026 1.205 1 1 1594 . 11 1 1 A 127 127 VAL CB C 127 31.948 31.640 0.308 1 1 1597 . 11 1 1 A 127 127 VAL N N 127 121.180 119.936 1.244 1 1 1598 . 11 1 1 A 128 128 ILE H H 128 7.725 8.343 -0.618 1 1 1599 . 11 1 1 A 128 128 ILE HA H 128 3.820 3.605 0.215 1 1 1609 . 11 1 1 A 128 128 ILE C C 128 178.599 177.935 0.664 1 1 1610 . 11 1 1 A 128 128 ILE CA C 128 64.978 65.536 -0.558 1 1 1611 . 11 1 1 A 128 128 ILE CB C 128 37.976 37.976 0.000 1 1 1615 . 11 1 1 A 128 128 ILE N N 128 119.369 120.892 -1.523 1 1 1616 . 11 1 1 A 129 129 LYS H H 129 7.204 8.062 -0.858 1 1 1617 . 11 1 1 A 129 129 LYS HA H 129 4.241 3.917 0.324 1 1 1626 . 11 1 1 A 129 129 LYS C C 129 178.902 179.244 -0.342 1 1 1627 . 11 1 1 A 129 129 LYS CA C 129 58.690 59.239 -0.549 1 1 1628 . 11 1 1 A 129 129 LYS CB C 129 31.725 32.276 -0.551 1 1 1632 . 11 1 1 A 129 129 LYS N N 129 119.356 118.953 0.403 1 1 1633 . 11 1 1 A 130 130 LEU H H 130 7.750 7.281 0.469 1 1 1634 . 11 1 1 A 130 130 LEU HA H 130 3.649 3.622 0.027 1 1 1644 . 11 1 1 A 130 130 LEU C C 130 178.756 179.255 -0.499 1 1 1645 . 11 1 1 A 130 130 LEU CA C 130 57.913 57.633 0.280 1 1 1646 . 11 1 1 A 130 130 LEU CB C 130 40.197 41.203 -1.006 1 1 1650 . 11 1 1 A 130 130 LEU N N 130 118.271 119.417 -1.146 1 1 1651 . 11 1 1 A 131 131 HIS H H 131 7.732 7.854 -0.122 1 1 1652 . 11 1 1 A 131 131 HIS HA H 131 3.918 4.158 -0.240 1 1 1657 . 11 1 1 A 131 131 HIS C C 131 178.392 177.761 0.631 1 1 1658 . 11 1 1 A 131 131 HIS CA C 131 61.019 59.827 1.192 1 1 1659 . 11 1 1 A 131 131 HIS CB C 131 29.951 29.449 0.502 1 1 1662 . 11 1 1 A 131 131 HIS N N 131 117.308 117.194 0.114 1 1 1663 . 11 1 1 A 132 132 GLU H H 132 8.030 9.109 -1.079 1 1 1664 . 11 1 1 A 132 132 GLU HA H 132 4.097 3.905 0.192 1 1 1669 . 11 1 1 A 132 132 GLU C C 132 179.907 179.275 0.632 1 1 1670 . 11 1 1 A 132 132 GLU CA C 132 59.660 59.380 0.280 1 1 1671 . 11 1 1 A 132 132 GLU CB C 132 29.627 29.295 0.332 1 1 1673 . 11 1 1 A 132 132 GLU N N 132 121.443 119.097 2.346 1 1 1674 . 11 1 1 A 133 133 VAL H H 133 8.250 8.965 -0.715 1 1 1675 . 11 1 1 A 133 133 VAL HA H 133 3.352 2.976 0.376 1 1 1683 . 11 1 1 A 133 133 VAL C C 133 176.575 178.049 -1.474 1 1 1684 . 11 1 1 A 133 133 VAL CA C 133 66.367 66.103 0.264 1 1 1685 . 11 1 1 A 133 133 VAL CB C 133 31.203 31.250 -0.047 1 1 1688 . 11 1 1 A 133 133 VAL N N 133 121.281 120.137 1.144 1 1 1689 . 11 1 1 A 134 134 LEU H H 134 8.259 8.099 0.160 1 1 1690 . 11 1 1 A 134 134 LEU HA H 134 3.645 3.852 -0.207 1 1 1700 . 11 1 1 A 134 134 LEU C C 134 177.980 178.245 -0.265 1 1 1701 . 11 1 1 A 134 134 LEU CA C 134 58.154 58.567 -0.413 1 1 1702 . 11 1 1 A 134 134 LEU CB C 134 40.320 42.064 -1.744 1 1 1706 . 11 1 1 A 134 134 LEU N N 134 120.134 120.449 -0.315 1 1 1707 . 11 1 1 A 135 135 GLU H H 135 7.611 8.402 -0.791 1 1 1708 . 11 1 1 A 135 135 GLU HA H 135 3.972 3.931 0.041 1 1 1713 . 11 1 1 A 135 135 GLU C C 135 179.834 179.425 0.409 1 1 1714 . 11 1 1 A 135 135 GLU CA C 135 59.325 59.686 -0.361 1 1 1715 . 11 1 1 A 135 135 GLU CB C 135 29.134 29.416 -0.282 1 1 1717 . 11 1 1 A 135 135 GLU N N 135 116.026 117.773 -1.747 1 1 1718 . 11 1 1 A 136 136 ARG H H 136 7.789 8.431 -0.642 1 1 1719 . 11 1 1 A 136 136 ARG HA H 136 4.140 4.160 -0.020 1 1 1726 . 11 1 1 A 136 136 ARG C C 136 179.083 179.166 -0.083 1 1 1727 . 11 1 1 A 136 136 ARG CA C 136 59.131 59.513 -0.382 1 1 1728 . 11 1 1 A 136 136 ARG CB C 136 30.368 30.068 0.300 1 1 1731 . 11 1 1 A 136 136 ARG N N 136 119.681 120.031 -0.350 1 1 1732 . 11 1 1 A 137 137 GLU H H 137 9.238 8.276 0.962 1 1 1733 . 11 1 1 A 137 137 GLU HA H 137 4.637 4.195 0.442 1 1 1738 . 11 1 1 A 137 137 GLU C C 137 178.817 178.776 0.041 1 1 1739 . 11 1 1 A 137 137 GLU CA C 137 58.036 59.342 -1.306 1 1 1740 . 11 1 1 A 137 137 GLU CB C 137 28.147 29.063 -0.916 1 1 1742 . 11 1 1 A 137 137 GLU N N 137 124.333 118.555 5.778 1 1 1743 . 11 1 1 A 138 138 LYS H H 138 8.788 8.559 0.229 1 1 1744 . 11 1 1 A 138 138 LYS HA H 138 3.899 4.015 -0.116 1 1 1753 . 11 1 1 A 138 138 LYS C C 138 179.944 179.185 0.759 1 1 1754 . 11 1 1 A 138 138 LYS CA C 138 60.754 59.686 1.068 1 1 1755 . 11 1 1 A 138 138 LYS CB C 138 32.789 32.523 0.266 1 1 1759 . 11 1 1 A 138 138 LYS N N 138 119.622 119.866 -0.244 1 1 1760 . 11 1 1 A 139 139 LYS H H 139 7.313 7.605 -0.292 1 1 1761 . 11 1 1 A 139 139 LYS HA H 139 4.070 4.033 0.037 1 1 1770 . 11 1 1 A 139 139 LYS C C 139 178.235 179.559 -1.324 1 1 1771 . 11 1 1 A 139 139 LYS CA C 139 59.166 59.893 -0.727 1 1 1772 . 11 1 1 A 139 139 LYS CB C 139 32.424 32.248 0.176 1 1 1776 . 11 1 1 A 139 139 LYS N N 139 117.326 120.040 -2.714 1 1 1777 . 11 1 1 A 140 140 ARG H H 140 8.344 7.786 0.558 1 1 1778 . 11 1 1 A 140 140 ARG HA H 140 4.080 3.927 0.153 1 1 1786 . 11 1 1 A 140 140 ARG C C 140 179.531 179.397 0.134 1 1 1787 . 11 1 1 A 140 140 ARG CA C 140 59.184 60.150 -0.966 1 1 1788 . 11 1 1 A 140 140 ARG CB C 140 31.190 30.001 1.189 1 1 1791 . 11 1 1 A 140 140 ARG N N 140 121.404 119.242 2.162 1 1 1793 . 11 1 1 A 141 141 ARG H H 141 8.171 8.826 -0.655 1 1 1794 . 11 1 1 A 141 141 ARG HA H 141 4.034 4.021 0.013 1 1 1802 . 11 1 1 A 141 141 ARG C C 141 178.671 178.658 0.013 1 1 1803 . 11 1 1 A 141 141 ARG CA C 141 58.337 59.012 -0.675 1 1 1804 . 11 1 1 A 141 141 ARG CB C 141 30.327 30.005 0.322 1 1 1807 . 11 1 1 A 141 141 ARG N N 141 115.667 119.398 -3.731 1 1 1809 . 11 1 1 A 142 142 ILE H H 142 7.521 8.525 -1.004 1 1 1810 . 11 1 1 A 142 142 ILE HA H 142 4.074 3.735 0.339 1 1 1820 . 11 1 1 A 142 142 ILE C C 142 177.787 177.180 0.607 1 1 1821 . 11 1 1 A 142 142 ILE CA C 142 63.178 64.952 -1.774 1 1 1822 . 11 1 1 A 142 142 ILE CB C 142 38.346 37.846 0.500 1 1 1826 . 11 1 1 A 142 142 ILE N N 142 118.031 120.202 -2.171 1 1 1827 . 11 1 1 A 143 143 GLU H H 143 8.041 7.932 0.109 1 1 1828 . 11 1 1 A 143 143 GLU HA H 143 4.251 4.399 -0.148 1 1 1833 . 11 1 1 A 143 143 GLU C C 143 177.217 174.861 2.356 1 1 1834 . 11 1 1 A 143 143 GLU CA C 143 57.595 56.219 1.376 1 1 1835 . 11 1 1 A 143 143 GLU CB C 143 29.998 27.891 2.107 1 1 1837 . 11 1 1 A 143 143 GLU N N 143 120.963 120.008 0.955 1 1 1838 . 11 1 1 A 144 144 SER H H 144 8.041 8.192 -0.151 1 1 1839 . 11 1 1 A 144 144 SER HA H 144 4.538 4.860 -0.322 1 1 1842 . 11 1 1 A 144 144 SER C C 144 174.721 173.024 1.697 1 1 1843 . 11 1 1 A 144 144 SER CA C 144 58.801 57.805 0.996 1 1 1844 . 11 1 1 A 144 144 SER CB C 144 64.126 65.612 -1.486 1 1 1845 . 11 1 1 A 144 144 SER N N 144 114.646 118.172 -3.526 1 1 1846 . 11 1 1 A 145 145 GLY H H 145 7.982 8.369 -0.387 1 1 1847 . 11 1 1 A 145 145 GLY HA2 H 145 4.102 4.146 -0.044 1 1 1848 . 11 1 1 A 145 145 GLY HA3 H 145 4.231 4.148 0.083 1 1 1849 . 11 1 1 A 145 145 GLY C C 145 171.800 173.336 -1.536 1 1 1850 . 11 1 1 A 145 145 GLY CA C 145 44.854 44.358 0.496 1 1 1851 . 11 1 1 A 145 145 GLY N N 145 110.299 112.794 -2.495 1 1 1852 . 11 1 1 A 146 146 PRO HA H 146 4.510 4.826 -0.316 1 1 1859 . 11 1 1 A 146 146 PRO C C 146 177.496 175.559 1.937 1 1 1860 . 11 1 1 A 146 146 PRO CA C 146 63.313 62.564 0.749 1 1 1861 . 11 1 1 A 146 146 PRO CB C 146 32.177 32.150 0.027 1 1 1864 . 11 1 1 A 147 147 SER H H 147 8.530 8.739 -0.209 1 1 1865 . 11 1 1 A 147 147 SER C C 147 174.721 174.261 0.460 1 1 1866 . 11 1 1 A 147 147 SER CA C 147 58.390 57.405 0.985 1 1 1867 . 11 1 1 A 147 147 SER CB C 147 63.803 67.211 -3.408 1 1 1868 . 11 1 1 A 147 147 SER N N 147 116.436 118.500 -2.064 1 1 1869 . 11 1 1 A 148 148 SER H H 148 8.348 8.612 -0.264 1 1 1870 . 11 1 1 A 148 148 SER C C 148 173.957 175.250 -1.293 1 1 1871 . 11 1 1 A 148 148 SER CA C 148 58.372 59.883 -1.511 1 1 1872 . 11 1 1 A 148 148 SER CB C 148 64.008 64.199 -0.191 1 1 1 . 12 1 1 A 8 8 GLN HA H 8 4.221 3.983 0.238 1 1 8 . 12 1 1 A 8 8 GLN CA C 8 56.851 56.555 0.296 1 1 9 . 12 1 1 A 8 8 GLN CB C 8 28.887 27.645 1.242 1 1 12 . 12 1 1 A 9 9 GLU H H 9 8.480 8.044 0.436 1 1 13 . 12 1 1 A 9 9 GLU HA H 9 4.166 4.203 -0.037 1 1 18 . 12 1 1 A 9 9 GLU CA C 9 58.333 57.891 0.442 1 1 19 . 12 1 1 A 9 9 GLU CB C 9 29.545 30.713 -1.168 1 1 21 . 12 1 1 A 9 9 GLU N N 9 121.149 124.853 -3.704 1 1 22 . 12 1 1 A 10 10 ARG H H 10 8.336 8.909 -0.573 1 1 23 . 12 1 1 A 10 10 ARG HA H 10 4.131 4.325 -0.194 1 1 30 . 12 1 1 A 10 10 ARG C C 10 177.350 176.889 0.461 1 1 31 . 12 1 1 A 10 10 ARG CA C 10 57.731 58.373 -0.642 1 1 32 . 12 1 1 A 10 10 ARG CB C 10 30.061 31.209 -1.148 1 1 35 . 12 1 1 A 10 10 ARG N N 10 120.177 124.100 -3.923 1 1 36 . 12 1 1 A 11 11 LEU H H 11 7.741 8.046 -0.305 1 1 37 . 12 1 1 A 11 11 LEU HA H 11 4.219 4.324 -0.105 1 1 44 . 12 1 1 A 11 11 LEU CA C 11 56.781 56.651 0.130 1 1 45 . 12 1 1 A 11 11 LEU CB C 11 41.875 41.395 0.480 1 1 49 . 12 1 1 A 11 11 LEU N N 11 120.410 120.089 0.321 1 1 50 . 12 1 1 A 12 12 LYS H H 12 7.816 8.842 -1.026 1 1 51 . 12 1 1 A 12 12 LYS HA H 12 4.091 4.813 -0.722 1 1 60 . 12 1 1 A 12 12 LYS CA C 12 58.234 54.806 3.428 1 1 61 . 12 1 1 A 12 12 LYS CB C 12 32.530 35.256 -2.726 1 1 65 . 12 1 1 A 12 12 LYS N N 12 119.365 122.870 -3.505 1 1 66 . 12 1 1 A 13 13 ILE H H 13 7.851 8.699 -0.848 1 1 67 . 12 1 1 A 13 13 ILE HA H 13 3.951 3.822 0.129 1 1 77 . 12 1 1 A 13 13 ILE C C 13 176.914 176.765 0.149 1 1 78 . 12 1 1 A 13 13 ILE CA C 13 62.713 65.000 -2.287 1 1 79 . 12 1 1 A 13 13 ILE CB C 13 38.264 38.280 -0.016 1 1 83 . 12 1 1 A 14 14 THR H H 14 7.750 7.563 0.187 1 1 84 . 12 1 1 A 14 14 THR HA H 14 4.021 4.826 -0.805 1 1 88 . 12 1 1 A 14 14 THR C C 14 174.818 173.205 1.613 1 1 89 . 12 1 1 A 14 14 THR CA C 14 63.172 60.425 2.747 1 1 90 . 12 1 1 A 14 14 THR CB C 14 68.985 72.725 -3.740 1 1 92 . 12 1 1 A 14 14 THR N N 14 110.999 112.707 -1.708 1 1 93 . 12 1 1 A 15 15 ALA H H 15 7.922 8.342 -0.420 1 1 94 . 12 1 1 A 15 15 ALA HA H 15 4.141 4.345 -0.204 1 1 98 . 12 1 1 A 15 15 ALA C C 15 177.593 177.659 -0.066 1 1 99 . 12 1 1 A 15 15 ALA CA C 15 53.007 53.261 -0.254 1 1 100 . 12 1 1 A 15 15 ALA CB C 15 18.747 20.265 -1.518 1 1 101 . 12 1 1 A 15 15 ALA N N 15 122.429 125.107 -2.678 1 1 102 . 12 1 1 A 16 16 LEU H H 16 7.442 7.981 -0.539 1 1 103 . 12 1 1 A 16 16 LEU HA H 16 4.653 4.254 0.399 1 1 112 . 12 1 1 A 16 16 LEU C C 16 173.182 175.699 -2.517 1 1 113 . 12 1 1 A 16 16 LEU CA C 16 51.524 55.633 -4.109 1 1 114 . 12 1 1 A 16 16 LEU CB C 16 45.831 40.963 4.868 1 1 118 . 12 1 1 A 16 16 LEU N N 16 120.226 115.621 4.605 1 1 119 . 12 1 1 A 17 17 PRO HA H 17 4.140 4.673 -0.533 1 1 126 . 12 1 1 A 17 17 PRO C C 17 174.296 176.383 -2.087 1 1 127 . 12 1 1 A 17 17 PRO CA C 17 62.007 62.483 -0.476 1 1 128 . 12 1 1 A 17 17 PRO CB C 17 32.013 31.870 0.143 1 1 131 . 12 1 1 A 18 18 LEU H H 18 8.071 8.206 -0.135 1 1 132 . 12 1 1 A 18 18 LEU HA H 18 4.097 4.075 0.022 1 1 142 . 12 1 1 A 18 18 LEU C C 18 176.974 175.824 1.150 1 1 143 . 12 1 1 A 18 18 LEU CA C 18 55.043 55.932 -0.889 1 1 144 . 12 1 1 A 18 18 LEU CB C 18 42.376 42.522 -0.146 1 1 148 . 12 1 1 A 18 18 LEU N N 18 119.963 124.083 -4.120 1 1 149 . 12 1 1 A 19 19 TYR H H 19 9.108 9.009 0.099 1 1 150 . 12 1 1 A 19 19 TYR HA H 19 5.121 4.791 0.330 1 1 157 . 12 1 1 A 19 19 TYR C C 19 174.515 175.554 -1.039 1 1 158 . 12 1 1 A 19 19 TYR CA C 19 55.160 59.015 -3.855 1 1 159 . 12 1 1 A 19 19 TYR CB C 19 39.292 40.783 -1.491 1 1 164 . 12 1 1 A 19 19 TYR N N 19 127.955 125.135 2.820 1 1 165 . 12 1 1 A 20 20 PHE H H 20 7.560 7.516 0.044 1 1 166 . 12 1 1 A 20 20 PHE HA H 20 4.281 4.467 -0.186 1 1 174 . 12 1 1 A 20 20 PHE C C 20 171.170 173.046 -1.876 1 1 175 . 12 1 1 A 20 20 PHE CA C 20 57.031 57.794 -0.763 1 1 176 . 12 1 1 A 20 20 PHE CB C 20 40.937 41.454 -0.517 1 1 182 . 12 1 1 A 20 20 PHE N N 20 115.328 117.678 -2.350 1 1 183 . 12 1 1 A 21 21 GLU H H 21 5.556 8.294 -2.738 1 1 184 . 12 1 1 A 21 21 GLU HA H 21 5.191 5.083 0.108 1 1 189 . 12 1 1 A 21 21 GLU C C 21 173.024 174.740 -1.716 1 1 190 . 12 1 1 A 21 21 GLU CA C 21 53.025 54.115 -1.090 1 1 191 . 12 1 1 A 21 21 GLU CB C 21 31.760 32.898 -1.138 1 1 193 . 12 1 1 A 21 21 GLU N N 21 118.643 123.645 -5.002 1 1 194 . 12 1 1 A 22 22 GLY H H 22 7.721 7.324 0.397 1 1 195 . 12 1 1 A 22 22 GLY HA2 H 22 4.024 4.029 -0.005 1 1 196 . 12 1 1 A 22 22 GLY HA3 H 22 3.107 4.035 -0.928 1 1 197 . 12 1 1 A 22 22 GLY C C 22 171.994 171.711 0.283 1 1 198 . 12 1 1 A 22 22 GLY CA C 22 45.013 45.529 -0.516 1 1 199 . 12 1 1 A 22 22 GLY N N 22 106.155 106.992 -0.837 1 1 200 . 12 1 1 A 23 23 PHE H H 23 8.881 8.761 0.120 1 1 201 . 12 1 1 A 23 23 PHE HA H 23 5.303 4.851 0.452 1 1 209 . 12 1 1 A 23 23 PHE C C 23 176.926 175.080 1.846 1 1 210 . 12 1 1 A 23 23 PHE CA C 23 60.013 58.772 1.241 1 1 211 . 12 1 1 A 23 23 PHE CB C 23 40.937 38.990 1.947 1 1 217 . 12 1 1 A 23 23 PHE N N 23 119.442 120.424 -0.982 1 1 218 . 12 1 1 A 24 24 LEU H H 24 9.072 8.752 0.320 1 1 219 . 12 1 1 A 24 24 LEU HA H 24 4.562 5.020 -0.458 1 1 229 . 12 1 1 A 24 24 LEU C C 24 174.406 174.398 0.008 1 1 230 . 12 1 1 A 24 24 LEU CA C 24 54.437 53.468 0.969 1 1 231 . 12 1 1 A 24 24 LEU CB C 24 48.381 45.138 3.243 1 1 235 . 12 1 1 A 24 24 LEU N N 24 122.488 126.293 -3.805 1 1 236 . 12 1 1 A 25 25 LEU H H 25 8.120 8.586 -0.466 1 1 237 . 12 1 1 A 25 25 LEU HA H 25 5.480 5.316 0.164 1 1 247 . 12 1 1 A 25 25 LEU C C 25 176.175 175.393 0.782 1 1 248 . 12 1 1 A 25 25 LEU CA C 25 54.242 53.586 0.656 1 1 249 . 12 1 1 A 25 25 LEU CB C 25 42.576 42.930 -0.354 1 1 253 . 12 1 1 A 25 25 LEU N N 25 120.790 125.764 -4.974 1 1 254 . 12 1 1 A 26 26 ILE H H 26 9.110 8.598 0.512 1 1 255 . 12 1 1 A 26 26 ILE HA H 26 5.232 4.382 0.850 1 1 265 . 12 1 1 A 26 26 ILE C C 26 174.757 175.192 -0.435 1 1 266 . 12 1 1 A 26 26 ILE CA C 26 57.613 59.776 -2.163 1 1 267 . 12 1 1 A 26 26 ILE CB C 26 41.343 39.373 1.970 1 1 271 . 12 1 1 A 26 26 ILE N N 26 120.679 124.820 -4.141 1 1 272 . 12 1 1 A 27 27 LYS H H 27 9.150 8.016 1.134 1 1 273 . 12 1 1 A 27 27 LYS HA H 27 4.425 3.600 0.825 1 1 282 . 12 1 1 A 27 27 LYS C C 27 175.557 175.687 -0.130 1 1 283 . 12 1 1 A 27 27 LYS CA C 27 56.095 54.609 1.486 1 1 284 . 12 1 1 A 27 27 LYS CB C 27 35.056 32.180 2.876 1 1 288 . 12 1 1 A 27 27 LYS N N 27 127.778 128.391 -0.613 1 1 289 . 12 1 1 A 28 28 ARG H H 28 5.868 7.718 -1.850 1 1 290 . 12 1 1 A 28 28 ARG HA H 28 4.429 3.991 0.438 1 1 298 . 12 1 1 A 28 28 ARG C C 28 176.078 175.883 0.195 1 1 299 . 12 1 1 A 28 28 ARG CA C 28 54.542 58.325 -3.783 1 1 300 . 12 1 1 A 28 28 ARG CB C 28 31.602 29.525 2.077 1 1 303 . 12 1 1 A 28 28 ARG N N 28 124.548 120.555 3.993 1 1 305 . 12 1 1 A 29 29 SER H H 29 9.067 8.926 0.141 1 1 306 . 12 1 1 A 29 29 SER HA H 29 4.181 4.369 -0.188 1 1 309 . 12 1 1 A 29 29 SER C C 29 176.066 175.585 0.481 1 1 310 . 12 1 1 A 29 29 SER CA C 29 61.019 60.607 0.412 1 1 311 . 12 1 1 A 29 29 SER CB C 29 63.057 63.572 -0.515 1 1 312 . 12 1 1 A 29 29 SER N N 29 116.823 118.960 -2.137 1 1 313 . 12 1 1 A 30 30 GLY HA2 H 30 3.810 4.076 -0.266 1 1 314 . 12 1 1 A 30 30 GLY HA3 H 30 4.172 4.089 0.083 1 1 315 . 12 1 1 A 30 30 GLY CA C 30 45.171 44.937 0.234 1 1 316 . 12 1 1 A 31 31 TYR H H 31 8.001 8.150 -0.149 1 1 317 . 12 1 1 A 31 31 TYR HA H 31 4.729 4.373 0.356 1 1 324 . 12 1 1 A 31 31 TYR CB C 31 37.249 37.215 0.034 1 1 329 . 12 1 1 A 31 31 TYR N N 31 121.120 120.428 0.692 1 1 330 . 12 1 1 A 32 32 ARG HA H 32 4.204 4.530 -0.326 1 1 337 . 12 1 1 A 32 32 ARG C C 32 176.066 175.758 0.308 1 1 338 . 12 1 1 A 32 32 ARG CA C 32 57.631 56.704 0.927 1 1 339 . 12 1 1 A 32 32 ARG CB C 32 30.861 32.613 -1.752 1 1 342 . 12 1 1 A 33 33 GLU H H 33 7.700 7.743 -0.043 1 1 343 . 12 1 1 A 33 33 GLU HA H 33 4.600 4.502 0.098 1 1 348 . 12 1 1 A 33 33 GLU C C 33 175.569 174.879 0.690 1 1 349 . 12 1 1 A 33 33 GLU CA C 33 53.695 55.561 -1.866 1 1 350 . 12 1 1 A 33 33 GLU CB C 33 33.000 31.863 1.137 1 1 352 . 12 1 1 A 33 33 GLU N N 33 115.988 114.953 1.035 1 1 353 . 12 1 1 A 34 34 TYR H H 34 8.755 8.466 0.289 1 1 354 . 12 1 1 A 34 34 TYR HA H 34 4.311 4.314 -0.003 1 1 361 . 12 1 1 A 34 34 TYR C C 34 176.999 175.900 1.099 1 1 362 . 12 1 1 A 34 34 TYR CA C 34 59.537 59.693 -0.156 1 1 363 . 12 1 1 A 34 34 TYR CB C 34 39.744 38.860 0.884 1 1 368 . 12 1 1 A 34 34 TYR N N 34 118.663 121.987 -3.324 1 1 369 . 12 1 1 A 35 35 GLU H H 35 9.024 8.499 0.525 1 1 370 . 12 1 1 A 35 35 GLU HA H 35 4.401 4.830 -0.429 1 1 375 . 12 1 1 A 35 35 GLU C C 35 174.406 175.206 -0.800 1 1 376 . 12 1 1 A 35 35 GLU CA C 35 54.330 55.000 -0.670 1 1 377 . 12 1 1 A 35 35 GLU CB C 35 31.972 32.773 -0.801 1 1 379 . 12 1 1 A 35 35 GLU N N 35 122.488 124.260 -1.772 1 1 380 . 12 1 1 A 36 36 HIS H H 36 8.639 8.701 -0.062 1 1 381 . 12 1 1 A 36 36 HIS HA H 36 4.980 5.158 -0.178 1 1 386 . 12 1 1 A 36 36 HIS C C 36 174.127 174.168 -0.041 1 1 387 . 12 1 1 A 36 36 HIS CA C 36 55.607 54.486 1.121 1 1 388 . 12 1 1 A 36 36 HIS CB C 36 31.396 30.696 0.700 1 1 391 . 12 1 1 A 36 36 HIS N N 36 123.767 120.022 3.745 1 1 392 . 12 1 1 A 37 37 TYR H H 37 8.931 8.883 0.048 1 1 393 . 12 1 1 A 37 37 TYR HA H 37 5.668 5.039 0.629 1 1 400 . 12 1 1 A 37 37 TYR C C 37 177.969 174.932 3.037 1 1 401 . 12 1 1 A 37 37 TYR CA C 37 55.407 56.834 -1.427 1 1 402 . 12 1 1 A 37 37 TYR CB C 37 42.089 42.504 -0.415 1 1 407 . 12 1 1 A 37 37 TYR N N 37 124.075 121.365 2.710 1 1 408 . 12 1 1 A 38 38 TRP H H 38 8.931 9.590 -0.659 1 1 409 . 12 1 1 A 38 38 TRP HA H 38 4.329 4.857 -0.528 1 1 418 . 12 1 1 A 38 38 TRP C C 38 174.345 175.330 -0.985 1 1 419 . 12 1 1 A 38 38 TRP CA C 38 58.230 56.220 2.010 1 1 420 . 12 1 1 A 38 38 TRP CB C 38 28.846 28.995 -0.149 1 1 426 . 12 1 1 A 38 38 TRP N N 38 125.317 126.697 -1.380 1 1 428 . 12 1 1 A 39 39 THR H H 39 8.366 8.933 -0.567 1 1 429 . 12 1 1 A 39 39 THR HA H 39 5.535 4.981 0.554 1 1 434 . 12 1 1 A 39 39 THR C C 39 173.303 174.262 -0.959 1 1 435 . 12 1 1 A 39 39 THR CA C 39 62.037 63.063 -1.026 1 1 436 . 12 1 1 A 39 39 THR CB C 39 70.295 70.180 0.115 1 1 438 . 12 1 1 A 39 39 THR N N 39 127.024 122.118 4.906 1 1 439 . 12 1 1 A 40 40 GLU H H 40 8.902 9.995 -1.093 1 1 440 . 12 1 1 A 40 40 GLU HA H 40 4.816 4.847 -0.031 1 1 445 . 12 1 1 A 40 40 GLU C C 40 175.351 174.596 0.755 1 1 446 . 12 1 1 A 40 40 GLU CA C 40 53.607 54.650 -1.043 1 1 447 . 12 1 1 A 40 40 GLU CB C 40 34.639 33.352 1.287 1 1 449 . 12 1 1 A 40 40 GLU N N 40 120.613 125.012 -4.399 1 1 450 . 12 1 1 A 41 41 LEU H H 41 8.910 8.825 0.085 1 1 451 . 12 1 1 A 41 41 LEU HA H 41 5.168 5.146 0.022 1 1 461 . 12 1 1 A 41 41 LEU C C 41 174.806 174.831 -0.025 1 1 462 . 12 1 1 A 41 41 LEU CA C 41 53.872 54.417 -0.545 1 1 463 . 12 1 1 A 41 41 LEU CB C 41 43.610 43.963 -0.353 1 1 467 . 12 1 1 A 41 41 LEU N N 41 123.682 126.516 -2.834 1 1 468 . 12 1 1 A 42 42 ARG H H 42 9.150 8.367 0.783 1 1 469 . 12 1 1 A 42 42 ARG HA H 42 5.182 4.354 0.828 1 1 474 . 12 1 1 A 42 42 ARG C C 42 176.272 176.376 -0.104 1 1 475 . 12 1 1 A 42 42 ARG CA C 42 53.643 54.749 -1.106 1 1 476 . 12 1 1 A 42 42 ARG CB C 42 33.205 33.230 -0.025 1 1 479 . 12 1 1 A 42 42 ARG N N 42 127.645 125.877 1.768 1 1 480 . 12 1 1 A 43 43 GLY H H 43 6.304 8.238 -1.934 1 1 481 . 12 1 1 A 43 43 GLY HA2 H 43 3.917 3.902 0.015 1 1 482 . 12 1 1 A 43 43 GLY HA3 H 43 3.812 4.085 -0.273 1 1 483 . 12 1 1 A 43 43 GLY C C 43 171.630 174.722 -3.092 1 1 484 . 12 1 1 A 43 43 GLY CA C 43 47.025 47.355 -0.330 1 1 485 . 12 1 1 A 43 43 GLY N N 43 112.565 113.358 -0.793 1 1 486 . 12 1 1 A 44 44 THR H H 44 7.841 8.482 -0.641 1 1 487 . 12 1 1 A 44 44 THR HA H 44 4.313 4.740 -0.427 1 1 492 . 12 1 1 A 44 44 THR C C 44 172.515 173.466 -0.951 1 1 493 . 12 1 1 A 44 44 THR CA C 44 60.207 61.012 -0.805 1 1 494 . 12 1 1 A 44 44 THR CB C 44 68.320 70.132 -1.812 1 1 496 . 12 1 1 A 44 44 THR N N 44 111.769 118.047 -6.278 1 1 497 . 12 1 1 A 45 45 THR H H 45 8.500 8.096 0.404 1 1 498 . 12 1 1 A 45 45 THR HA H 45 4.664 4.672 -0.008 1 1 503 . 12 1 1 A 45 45 THR C C 45 172.224 173.417 -1.193 1 1 504 . 12 1 1 A 45 45 THR CA C 45 62.413 61.678 0.735 1 1 505 . 12 1 1 A 45 45 THR CB C 45 69.848 70.648 -0.800 1 1 507 . 12 1 1 A 45 45 THR N N 45 118.681 117.149 1.532 1 1 508 . 12 1 1 A 46 46 LEU H H 46 8.391 8.429 -0.038 1 1 509 . 12 1 1 A 46 46 LEU HA H 46 4.892 4.612 0.280 1 1 519 . 12 1 1 A 46 46 LEU C C 46 174.260 175.346 -1.086 1 1 520 . 12 1 1 A 46 46 LEU CA C 46 52.654 53.975 -1.321 1 1 521 . 12 1 1 A 46 46 LEU CB C 46 42.911 41.042 1.869 1 1 525 . 12 1 1 A 46 46 LEU N N 46 125.559 128.365 -2.806 1 1 526 . 12 1 1 A 47 47 PHE H H 47 9.131 9.034 0.097 1 1 527 . 12 1 1 A 47 47 PHE HA H 47 3.940 4.601 -0.661 1 1 535 . 12 1 1 A 47 47 PHE C C 47 173.363 174.386 -1.023 1 1 536 . 12 1 1 A 47 47 PHE CA C 47 57.454 55.889 1.565 1 1 537 . 12 1 1 A 47 47 PHE CB C 47 42.747 40.240 2.507 1 1 543 . 12 1 1 A 47 47 PHE N N 47 121.095 123.853 -2.758 1 1 544 . 12 1 1 A 48 48 PHE H H 48 7.881 9.095 -1.214 1 1 545 . 12 1 1 A 48 48 PHE HA H 48 5.021 5.426 -0.405 1 1 553 . 12 1 1 A 48 48 PHE C C 48 173.727 174.473 -0.746 1 1 554 . 12 1 1 A 48 48 PHE CA C 48 56.166 55.273 0.893 1 1 555 . 12 1 1 A 48 48 PHE CB C 48 39.169 41.300 -2.131 1 1 561 . 12 1 1 A 48 48 PHE N N 48 120.063 122.561 -2.498 1 1 562 . 12 1 1 A 49 49 TYR H H 49 9.972 9.124 0.848 1 1 563 . 12 1 1 A 49 49 TYR HA H 49 5.190 5.239 -0.049 1 1 570 . 12 1 1 A 49 49 TYR C C 49 176.587 175.842 0.745 1 1 571 . 12 1 1 A 49 49 TYR CA C 49 56.254 56.849 -0.595 1 1 572 . 12 1 1 A 49 49 TYR CB C 49 41.842 43.478 -1.636 1 1 577 . 12 1 1 A 49 49 TYR N N 49 121.415 120.948 0.467 1 1 578 . 12 1 1 A 50 50 THR H H 50 9.511 9.118 0.393 1 1 579 . 12 1 1 A 50 50 THR HA H 50 4.571 4.909 -0.338 1 1 584 . 12 1 1 A 50 50 THR C C 50 174.793 174.760 0.033 1 1 585 . 12 1 1 A 50 50 THR CA C 50 65.361 62.923 2.438 1 1 586 . 12 1 1 A 50 50 THR CB C 50 69.043 69.603 -0.560 1 1 588 . 12 1 1 A 50 50 THR N N 50 114.446 114.322 0.124 1 1 589 . 12 1 1 A 51 51 ASP H H 51 7.828 7.980 -0.152 1 1 590 . 12 1 1 A 51 51 ASP HA H 51 4.803 5.162 -0.359 1 1 593 . 12 1 1 A 51 51 ASP C C 51 174.685 175.933 -1.248 1 1 594 . 12 1 1 A 51 51 ASP CA C 51 53.254 53.265 -0.011 1 1 595 . 12 1 1 A 51 51 ASP CB C 51 43.586 45.102 -1.516 1 1 596 . 12 1 1 A 51 51 ASP N N 51 115.656 120.265 -4.609 1 1 597 . 12 1 1 A 52 52 LYS H H 52 8.271 9.023 -0.752 1 1 598 . 12 1 1 A 52 52 LYS HA H 52 2.800 3.708 -0.908 1 1 607 . 12 1 1 A 52 52 LYS C C 52 176.671 178.373 -1.702 1 1 608 . 12 1 1 A 52 52 LYS CA C 52 58.372 59.943 -1.571 1 1 609 . 12 1 1 A 52 52 LYS CB C 52 32.178 31.957 0.221 1 1 613 . 12 1 1 A 52 52 LYS N N 52 119.009 124.003 -4.994 1 1 614 . 12 1 1 A 53 53 LYS H H 53 8.068 7.785 0.283 1 1 615 . 12 1 1 A 53 53 LYS HA H 53 4.109 4.034 0.075 1 1 624 . 12 1 1 A 53 53 LYS C C 53 176.950 177.809 -0.859 1 1 625 . 12 1 1 A 53 53 LYS CA C 53 55.830 59.045 -3.215 1 1 626 . 12 1 1 A 53 53 LYS CB C 53 32.301 32.072 0.229 1 1 630 . 12 1 1 A 53 53 LYS N N 53 116.395 120.166 -3.771 1 1 631 . 12 1 1 A 54 54 SER H H 54 7.549 7.440 0.109 1 1 632 . 12 1 1 A 54 54 SER HA H 54 4.316 4.353 -0.037 1 1 635 . 12 1 1 A 54 54 SER C C 54 174.394 173.937 0.457 1 1 636 . 12 1 1 A 54 54 SER CA C 54 59.395 60.235 -0.840 1 1 637 . 12 1 1 A 54 54 SER CB C 54 64.337 64.096 0.241 1 1 638 . 12 1 1 A 54 54 SER N N 54 116.653 113.957 2.696 1 1 639 . 12 1 1 A 55 55 ILE H H 55 8.424 8.970 -0.546 1 1 640 . 12 1 1 A 55 55 ILE HA H 55 4.267 4.270 -0.003 1 1 650 . 12 1 1 A 55 55 ILE C C 55 174.999 176.239 -1.240 1 1 651 . 12 1 1 A 55 55 ILE CA C 55 62.213 62.845 -0.632 1 1 652 . 12 1 1 A 55 55 ILE CB C 55 38.728 38.979 -0.251 1 1 656 . 12 1 1 A 55 55 ILE N N 55 118.660 125.568 -6.908 1 1 657 . 12 1 1 A 56 56 ILE H H 56 7.771 7.800 -0.029 1 1 658 . 12 1 1 A 56 56 ILE HA H 56 4.561 4.310 0.251 1 1 668 . 12 1 1 A 56 56 ILE C C 56 175.266 175.062 0.204 1 1 669 . 12 1 1 A 56 56 ILE CA C 56 59.342 60.608 -1.266 1 1 670 . 12 1 1 A 56 56 ILE CB C 56 39.506 37.541 1.965 1 1 674 . 12 1 1 A 56 56 ILE N N 56 119.568 121.454 -1.886 1 1 675 . 12 1 1 A 57 57 TYR H H 57 7.251 8.933 -1.682 1 1 676 . 12 1 1 A 57 57 TYR HA H 57 4.261 3.942 0.319 1 1 683 . 12 1 1 A 57 57 TYR C C 57 174.902 176.494 -1.592 1 1 684 . 12 1 1 A 57 57 TYR CA C 57 56.201 57.693 -1.492 1 1 685 . 12 1 1 A 57 57 TYR CB C 57 37.230 38.641 -1.411 1 1 690 . 12 1 1 A 58 58 VAL H H 58 9.157 8.020 1.137 1 1 691 . 12 1 1 A 58 58 VAL HA H 58 4.251 3.846 0.405 1 1 699 . 12 1 1 A 58 58 VAL C C 58 175.812 174.861 0.951 1 1 700 . 12 1 1 A 58 58 VAL CA C 58 62.360 65.138 -2.778 1 1 701 . 12 1 1 A 58 58 VAL CB C 58 33.123 32.106 1.017 1 1 704 . 12 1 1 A 58 58 VAL N N 58 116.888 121.333 -4.445 1 1 705 . 12 1 1 A 59 59 ASP H H 59 7.990 7.459 0.531 1 1 706 . 12 1 1 A 59 59 ASP HA H 59 4.970 5.190 -0.220 1 1 709 . 12 1 1 A 59 59 ASP C C 59 172.346 173.900 -1.554 1 1 710 . 12 1 1 A 59 59 ASP CA C 59 52.601 53.353 -0.752 1 1 711 . 12 1 1 A 59 59 ASP CB C 59 42.952 44.510 -1.558 1 1 712 . 12 1 1 A 59 59 ASP N N 59 117.301 118.915 -1.614 1 1 713 . 12 1 1 A 60 60 LYS H H 60 8.991 8.892 0.099 1 1 714 . 12 1 1 A 60 60 LYS HA H 60 4.761 4.680 0.081 1 1 723 . 12 1 1 A 60 60 LYS C C 60 173.666 174.566 -0.900 1 1 724 . 12 1 1 A 60 60 LYS CA C 60 54.718 54.014 0.704 1 1 725 . 12 1 1 A 60 60 LYS CB C 60 35.097 36.207 -1.110 1 1 729 . 12 1 1 A 60 60 LYS N N 60 118.648 117.428 1.220 1 1 730 . 12 1 1 A 61 61 LEU H H 61 8.702 8.429 0.273 1 1 731 . 12 1 1 A 61 61 LEU HA H 61 4.462 5.040 -0.578 1 1 741 . 12 1 1 A 61 61 LEU C C 61 173.630 174.789 -1.159 1 1 742 . 12 1 1 A 61 61 LEU CA C 61 54.065 53.304 0.761 1 1 743 . 12 1 1 A 61 61 LEU CB C 61 47.032 46.462 0.570 1 1 747 . 12 1 1 A 61 61 LEU N N 61 121.890 120.278 1.612 1 1 748 . 12 1 1 A 62 62 ASP H H 62 8.868 8.638 0.230 1 1 749 . 12 1 1 A 62 62 ASP HA H 62 4.841 5.094 -0.253 1 1 752 . 12 1 1 A 62 62 ASP C C 62 178.029 174.918 3.111 1 1 753 . 12 1 1 A 62 62 ASP CA C 62 53.819 52.898 0.921 1 1 754 . 12 1 1 A 62 62 ASP CB C 62 40.772 44.230 -3.458 1 1 755 . 12 1 1 A 62 62 ASP N N 62 128.697 119.684 9.013 1 1 756 . 12 1 1 A 63 63 ILE H H 63 9.261 7.988 1.273 1 1 757 . 12 1 1 A 63 63 ILE HA H 63 4.554 4.605 -0.051 1 1 767 . 12 1 1 A 63 63 ILE C C 63 175.617 176.952 -1.335 1 1 768 . 12 1 1 A 63 63 ILE CA C 63 60.736 60.309 0.427 1 1 769 . 12 1 1 A 63 63 ILE CB C 63 38.364 37.925 0.439 1 1 773 . 12 1 1 A 63 63 ILE N N 63 120.253 121.236 -0.983 1 1 774 . 12 1 1 A 64 64 VAL H H 64 8.010 7.688 0.322 1 1 775 . 12 1 1 A 64 64 VAL HA H 64 3.781 3.907 -0.126 1 1 783 . 12 1 1 A 64 64 VAL C C 64 174.878 176.995 -2.117 1 1 784 . 12 1 1 A 64 64 VAL CA C 64 65.572 64.802 0.770 1 1 785 . 12 1 1 A 64 64 VAL CB C 64 30.532 31.556 -1.024 1 1 788 . 12 1 1 A 64 64 VAL N N 64 122.413 122.698 -0.285 1 1 789 . 12 1 1 A 65 65 ASP H H 65 8.391 7.717 0.674 1 1 790 . 12 1 1 A 65 65 ASP HA H 65 4.841 4.783 0.058 1 1 793 . 12 1 1 A 65 65 ASP C C 65 174.854 175.646 -0.792 1 1 794 . 12 1 1 A 65 65 ASP CA C 65 53.483 53.523 -0.040 1 1 795 . 12 1 1 A 65 65 ASP CB C 65 40.114 41.279 -1.165 1 1 796 . 12 1 1 A 65 65 ASP N N 65 119.308 119.631 -0.323 1 1 797 . 12 1 1 A 66 66 LEU H H 66 7.517 7.223 0.294 1 1 798 . 12 1 1 A 66 66 LEU HA H 66 3.962 4.268 -0.306 1 1 808 . 12 1 1 A 66 66 LEU C C 66 176.708 177.388 -0.680 1 1 809 . 12 1 1 A 66 66 LEU CA C 66 57.471 56.470 1.001 1 1 810 . 12 1 1 A 66 66 LEU CB C 66 43.322 42.646 0.676 1 1 814 . 12 1 1 A 66 66 LEU N N 66 120.009 123.433 -3.424 1 1 815 . 12 1 1 A 67 67 THR H H 67 9.329 10.050 -0.721 1 1 816 . 12 1 1 A 67 67 THR HA H 67 4.363 4.386 -0.023 1 1 821 . 12 1 1 A 67 67 THR C C 67 175.145 174.103 1.042 1 1 822 . 12 1 1 A 67 67 THR CA C 67 64.019 63.325 0.694 1 1 823 . 12 1 1 A 67 67 THR CB C 67 69.107 69.155 -0.048 1 1 825 . 12 1 1 A 67 67 THR N N 67 123.534 121.058 2.476 1 1 826 . 12 1 1 A 68 68 CYS H H 68 7.584 7.029 0.555 1 1 827 . 12 1 1 A 68 68 CYS HA H 68 4.604 4.729 -0.125 1 1 830 . 12 1 1 A 68 68 CYS C C 68 170.528 172.291 -1.763 1 1 831 . 12 1 1 A 68 68 CYS CA C 68 57.402 58.659 -1.257 1 1 832 . 12 1 1 A 68 68 CYS CB C 68 29.175 31.154 -1.979 1 1 833 . 12 1 1 A 68 68 CYS N N 68 115.015 116.123 -1.108 1 1 834 . 12 1 1 A 69 69 LEU H H 69 8.730 8.662 0.068 1 1 835 . 12 1 1 A 69 69 LEU HA H 69 5.411 5.114 0.297 1 1 845 . 12 1 1 A 69 69 LEU C C 69 176.356 175.735 0.621 1 1 846 . 12 1 1 A 69 69 LEU CA C 69 54.242 54.148 0.094 1 1 847 . 12 1 1 A 69 69 LEU CB C 69 44.885 45.574 -0.689 1 1 851 . 12 1 1 A 69 69 LEU N N 69 125.633 122.724 2.909 1 1 852 . 12 1 1 A 70 70 THR H H 70 9.197 8.731 0.466 1 1 853 . 12 1 1 A 70 70 THR HA H 70 4.702 5.110 -0.408 1 1 858 . 12 1 1 A 70 70 THR C C 70 173.582 173.774 -0.192 1 1 859 . 12 1 1 A 70 70 THR CA C 70 60.384 59.984 0.400 1 1 860 . 12 1 1 A 70 70 THR CB C 70 70.870 71.565 -0.695 1 1 862 . 12 1 1 A 70 70 THR N N 70 120.391 118.364 2.027 1 1 863 . 12 1 1 A 71 71 GLU H H 71 8.965 8.923 0.042 1 1 864 . 12 1 1 A 71 71 GLU HA H 71 4.685 5.166 -0.481 1 1 869 . 12 1 1 A 71 71 GLU C C 71 175.957 175.589 0.368 1 1 870 . 12 1 1 A 71 71 GLU CA C 71 56.254 54.644 1.610 1 1 871 . 12 1 1 A 71 71 GLU CB C 71 31.396 32.282 -0.886 1 1 873 . 12 1 1 A 71 71 GLU N N 71 124.718 119.895 4.823 1 1 874 . 12 1 1 A 72 72 GLN H H 72 8.318 9.523 -1.205 1 1 875 . 12 1 1 A 72 72 GLN HA H 72 4.629 4.686 -0.057 1 1 882 . 12 1 1 A 72 72 GLN C C 72 175.254 175.080 0.174 1 1 883 . 12 1 1 A 72 72 GLN CA C 72 55.336 55.941 -0.605 1 1 884 . 12 1 1 A 72 72 GLN CB C 72 30.533 29.615 0.918 1 1 886 . 12 1 1 A 72 72 GLN N N 72 123.543 124.552 -1.009 1 1 888 . 12 1 1 A 73 73 ASN H H 73 8.670 9.102 -0.432 1 1 889 . 12 1 1 A 73 73 ASN HA H 73 4.688 5.303 -0.615 1 1 894 . 12 1 1 A 73 73 ASN C C 73 175.229 174.390 0.839 1 1 895 . 12 1 1 A 73 73 ASN CA C 73 53.607 52.309 1.298 1 1 896 . 12 1 1 A 73 73 ASN CB C 73 39.169 39.015 0.154 1 1 897 . 12 1 1 A 73 73 ASN N N 73 120.534 125.164 -4.630 1 1 899 . 12 1 1 A 74 74 SER H H 74 8.641 8.420 0.221 1 1 900 . 12 1 1 A 74 74 SER HA H 74 4.652 4.889 -0.237 1 1 903 . 12 1 1 A 74 74 SER C C 74 175.121 172.487 2.634 1 1 904 . 12 1 1 A 74 74 SER CA C 74 58.409 57.954 0.455 1 1 905 . 12 1 1 A 74 74 SER CB C 74 64.401 63.598 0.803 1 1 906 . 12 1 1 A 74 74 SER N N 74 117.448 117.991 -0.543 1 1 907 . 12 1 1 A 75 75 THR HA H 75 4.282 4.818 -0.536 1 1 912 . 12 1 1 A 75 75 THR C C 75 174.878 172.714 2.164 1 1 913 . 12 1 1 A 75 75 THR CA C 75 62.819 61.149 1.670 1 1 914 . 12 1 1 A 75 75 THR CB C 75 69.061 72.720 -3.659 1 1 916 . 12 1 1 A 76 76 GLU H H 76 8.156 8.638 -0.482 1 1 917 . 12 1 1 A 76 76 GLU HA H 76 4.350 4.487 -0.137 1 1 922 . 12 1 1 A 76 76 GLU C C 76 176.138 175.250 0.888 1 1 923 . 12 1 1 A 76 76 GLU CA C 76 56.202 55.761 0.441 1 1 924 . 12 1 1 A 76 76 GLU CB C 76 30.532 27.948 2.584 1 1 926 . 12 1 1 A 76 76 GLU N N 76 122.220 123.864 -1.644 1 1 927 . 12 1 1 A 77 77 LYS H H 77 8.443 7.558 0.885 1 1 928 . 12 1 1 A 77 77 LYS HA H 77 4.221 4.745 -0.524 1 1 937 . 12 1 1 A 77 77 LYS C C 77 176.465 174.597 1.868 1 1 938 . 12 1 1 A 77 77 LYS CA C 77 56.730 54.914 1.816 1 1 939 . 12 1 1 A 77 77 LYS CB C 77 32.301 36.885 -4.584 1 1 943 . 12 1 1 A 77 77 LYS N N 77 122.162 121.684 0.478 1 1 944 . 12 1 1 A 78 78 ASN H H 78 8.621 8.830 -0.209 1 1 945 . 12 1 1 A 78 78 ASN HA H 78 4.641 5.114 -0.473 1 1 950 . 12 1 1 A 78 78 ASN C C 78 173.485 174.460 -0.975 1 1 951 . 12 1 1 A 78 78 ASN CA C 78 53.748 52.014 1.734 1 1 952 . 12 1 1 A 78 78 ASN CB C 78 38.058 39.222 -1.164 1 1 953 . 12 1 1 A 78 78 ASN N N 78 116.583 119.365 -2.782 1 1 955 . 12 1 1 A 79 79 CYS H H 79 7.551 7.416 0.135 1 1 956 . 12 1 1 A 79 79 CYS HA H 79 4.371 4.708 -0.337 1 1 959 . 12 1 1 A 79 79 CYS C C 79 172.515 173.939 -1.424 1 1 960 . 12 1 1 A 79 79 CYS CA C 79 57.295 58.057 -0.762 1 1 961 . 12 1 1 A 79 79 CYS CB C 79 29.628 29.842 -0.214 1 1 962 . 12 1 1 A 79 79 CYS N N 79 112.640 120.233 -7.593 1 1 963 . 12 1 1 A 80 80 ALA H H 80 7.642 8.523 -0.881 1 1 964 . 12 1 1 A 80 80 ALA HA H 80 4.727 5.098 -0.371 1 1 968 . 12 1 1 A 80 80 ALA C C 80 175.314 176.398 -1.084 1 1 969 . 12 1 1 A 80 80 ALA CA C 80 51.330 50.605 0.725 1 1 970 . 12 1 1 A 80 80 ALA CB C 80 21.896 20.852 1.044 1 1 971 . 12 1 1 A 80 80 ALA N N 80 124.099 125.241 -1.142 1 1 972 . 12 1 1 A 81 81 LYS H H 81 8.459 8.693 -0.234 1 1 973 . 12 1 1 A 81 81 LYS HA H 81 5.112 4.772 0.340 1 1 982 . 12 1 1 A 81 81 LYS C C 81 174.781 175.023 -0.242 1 1 983 . 12 1 1 A 81 81 LYS CA C 81 55.283 54.554 0.729 1 1 984 . 12 1 1 A 81 81 LYS CB C 81 36.133 34.925 1.208 1 1 988 . 12 1 1 A 81 81 LYS N N 81 119.796 123.160 -3.364 1 1 989 . 12 1 1 A 82 82 PHE H H 82 8.748 7.744 1.004 1 1 990 . 12 1 1 A 82 82 PHE HA H 82 5.513 5.635 -0.122 1 1 998 . 12 1 1 A 82 82 PHE C C 82 174.357 172.702 1.655 1 1 999 . 12 1 1 A 82 82 PHE CA C 82 55.643 56.074 -0.431 1 1 1000 . 12 1 1 A 82 82 PHE CB C 82 42.089 42.493 -0.404 1 1 1006 . 12 1 1 A 82 82 PHE N N 82 119.073 119.881 -0.808 1 1 1007 . 12 1 1 A 83 83 THR H H 83 9.290 8.414 0.876 1 1 1008 . 12 1 1 A 83 83 THR HA H 83 5.032 5.061 -0.029 1 1 1013 . 12 1 1 A 83 83 THR C C 83 173.472 173.824 -0.352 1 1 1014 . 12 1 1 A 83 83 THR CA C 83 62.113 61.446 0.667 1 1 1015 . 12 1 1 A 83 83 THR CB C 83 71.076 70.890 0.186 1 1 1017 . 12 1 1 A 83 83 THR N N 83 116.845 115.620 1.225 1 1 1018 . 12 1 1 A 84 84 LEU H H 84 9.502 9.360 0.142 1 1 1019 . 12 1 1 A 84 84 LEU HA H 84 4.691 4.857 -0.166 1 1 1029 . 12 1 1 A 84 84 LEU C C 84 174.308 176.107 -1.799 1 1 1030 . 12 1 1 A 84 84 LEU CA C 84 54.224 53.607 0.617 1 1 1031 . 12 1 1 A 84 84 LEU CB C 84 41.636 41.517 0.119 1 1 1035 . 12 1 1 A 84 84 LEU N N 84 125.923 127.929 -2.006 1 1 1036 . 12 1 1 A 85 85 VAL H H 85 8.620 8.645 -0.025 1 1 1037 . 12 1 1 A 85 85 VAL HA H 85 4.151 4.321 -0.170 1 1 1045 . 12 1 1 A 85 85 VAL C C 85 174.188 175.459 -1.271 1 1 1046 . 12 1 1 A 85 85 VAL CA C 85 63.649 62.523 1.126 1 1 1047 . 12 1 1 A 85 85 VAL CB C 85 30.861 31.756 -0.895 1 1 1050 . 12 1 1 A 85 85 VAL N N 85 126.007 125.304 0.703 1 1 1051 . 12 1 1 A 86 86 LEU H H 86 8.534 8.551 -0.017 1 1 1052 . 12 1 1 A 86 86 LEU HA H 86 4.853 4.804 0.049 1 1 1062 . 12 1 1 A 86 86 LEU C C 86 174.878 176.645 -1.767 1 1 1063 . 12 1 1 A 86 86 LEU CA C 86 53.183 51.635 1.548 1 1 1064 . 12 1 1 A 86 86 LEU CB C 86 40.485 44.892 -4.407 1 1 1068 . 12 1 1 A 86 86 LEU N N 86 129.551 128.331 1.220 1 1 1069 . 12 1 1 A 87 87 PRO HA H 87 4.221 4.543 -0.322 1 1 1076 . 12 1 1 A 87 87 PRO C C 87 178.223 177.081 1.142 1 1 1077 . 12 1 1 A 87 87 PRO CA C 87 66.455 64.170 2.285 1 1 1078 . 12 1 1 A 87 87 PRO CB C 87 32.260 31.637 0.623 1 1 1081 . 12 1 1 A 88 88 LYS H H 88 8.414 8.226 0.188 1 1 1082 . 12 1 1 A 88 88 LYS HA H 88 4.548 4.378 0.170 1 1 1091 . 12 1 1 A 88 88 LYS C C 88 176.187 176.518 -0.331 1 1 1092 . 12 1 1 A 88 88 LYS CA C 88 55.071 57.040 -1.969 1 1 1093 . 12 1 1 A 88 88 LYS CB C 88 33.534 34.131 -0.597 1 1 1097 . 12 1 1 A 88 88 LYS N N 88 110.404 116.788 -6.384 1 1 1098 . 12 1 1 A 89 89 GLU H H 89 7.208 7.768 -0.560 1 1 1099 . 12 1 1 A 89 89 GLU HA H 89 4.561 4.715 -0.154 1 1 1104 . 12 1 1 A 89 89 GLU C C 89 172.527 174.301 -1.774 1 1 1105 . 12 1 1 A 89 89 GLU CA C 89 56.007 55.706 0.301 1 1 1106 . 12 1 1 A 89 89 GLU CB C 89 33.082 33.524 -0.442 1 1 1108 . 12 1 1 A 89 89 GLU N N 89 116.828 114.938 1.890 1 1 1109 . 12 1 1 A 90 90 GLU H H 90 8.321 8.562 -0.241 1 1 1110 . 12 1 1 A 90 90 GLU HA H 90 5.249 5.026 0.223 1 1 1115 . 12 1 1 A 90 90 GLU C C 90 176.296 176.308 -0.012 1 1 1116 . 12 1 1 A 90 90 GLU CA C 90 54.860 55.981 -1.121 1 1 1117 . 12 1 1 A 90 90 GLU CB C 90 31.972 31.198 0.774 1 1 1119 . 12 1 1 A 90 90 GLU N N 90 119.609 124.045 -4.436 1 1 1120 . 12 1 1 A 91 91 VAL H H 91 8.972 8.766 0.206 1 1 1121 . 12 1 1 A 91 91 VAL HA H 91 4.352 4.617 -0.265 1 1 1129 . 12 1 1 A 91 91 VAL C C 91 174.284 174.559 -0.275 1 1 1130 . 12 1 1 A 91 91 VAL CA C 91 61.284 60.402 0.882 1 1 1131 . 12 1 1 A 91 91 VAL CB C 91 34.891 35.159 -0.268 1 1 1134 . 12 1 1 A 91 91 VAL N N 91 123.947 123.455 0.492 1 1 1135 . 12 1 1 A 92 92 GLN H H 92 8.241 8.444 -0.203 1 1 1136 . 12 1 1 A 92 92 GLN HA H 92 4.930 4.812 0.118 1 1 1143 . 12 1 1 A 92 92 GLN C C 92 174.115 175.105 -0.990 1 1 1144 . 12 1 1 A 92 92 GLN CA C 92 55.583 55.706 -0.123 1 1 1145 . 12 1 1 A 92 92 GLN CB C 92 30.121 30.205 -0.084 1 1 1147 . 12 1 1 A 92 92 GLN N N 92 125.869 126.779 -0.910 1 1 1149 . 12 1 1 A 93 93 LEU H H 93 9.145 8.543 0.602 1 1 1150 . 12 1 1 A 93 93 LEU HA H 93 5.456 5.101 0.355 1 1 1160 . 12 1 1 A 93 93 LEU C C 93 176.256 175.214 1.042 1 1 1161 . 12 1 1 A 93 93 LEU CA C 93 53.801 53.210 0.591 1 1 1162 . 12 1 1 A 93 93 LEU CB C 93 45.913 45.709 0.204 1 1 1166 . 12 1 1 A 93 93 LEU N N 93 123.952 124.609 -0.657 1 1 1167 . 12 1 1 A 94 94 LYS H H 94 9.255 8.213 1.042 1 1 1168 . 12 1 1 A 94 94 LYS HA H 94 5.452 4.567 0.885 1 1 1177 . 12 1 1 A 94 94 LYS C C 94 174.563 174.471 0.092 1 1 1178 . 12 1 1 A 94 94 LYS CA C 94 54.718 55.125 -0.407 1 1 1179 . 12 1 1 A 94 94 LYS CB C 94 36.571 35.935 0.636 1 1 1183 . 12 1 1 A 94 94 LYS N N 94 124.618 122.243 2.375 1 1 1184 . 12 1 1 A 95 95 THR H H 95 8.582 7.922 0.660 1 1 1185 . 12 1 1 A 95 95 THR HA H 95 4.946 4.879 0.067 1 1 1190 . 12 1 1 A 95 95 THR C C 95 175.278 175.180 0.098 1 1 1191 . 12 1 1 A 95 95 THR CA C 95 59.908 59.566 0.342 1 1 1192 . 12 1 1 A 95 95 THR CB C 95 70.917 72.182 -1.265 1 1 1194 . 12 1 1 A 95 95 THR N N 95 112.788 116.243 -3.455 1 1 1195 . 12 1 1 A 96 96 GLU H H 96 9.033 8.852 0.181 1 1 1196 . 12 1 1 A 96 96 GLU HA H 96 4.321 4.368 -0.047 1 1 1201 . 12 1 1 A 96 96 GLU C C 96 175.435 176.800 -1.365 1 1 1202 . 12 1 1 A 96 96 GLU CA C 96 57.595 58.661 -1.066 1 1 1203 . 12 1 1 A 96 96 GLU CB C 96 30.656 31.137 -0.481 1 1 1205 . 12 1 1 A 96 96 GLU N N 96 117.745 119.198 -1.453 1 1 1206 . 12 1 1 A 97 97 ASN H H 97 7.562 7.924 -0.362 1 1 1207 . 12 1 1 A 97 97 ASN HA H 97 5.074 5.124 -0.050 1 1 1212 . 12 1 1 A 97 97 ASN C C 97 176.575 175.488 1.087 1 1 1213 . 12 1 1 A 97 97 ASN CA C 97 52.195 51.746 0.449 1 1 1214 . 12 1 1 A 97 97 ASN CB C 97 40.485 40.874 -0.389 1 1 1215 . 12 1 1 A 97 97 ASN N N 97 110.462 114.498 -4.036 1 1 1217 . 12 1 1 A 98 98 THR HA H 98 3.916 3.882 0.034 1 1 1222 . 12 1 1 A 98 98 THR C C 98 176.938 176.244 0.694 1 1 1223 . 12 1 1 A 98 98 THR CA C 98 66.349 66.398 -0.049 1 1 1224 . 12 1 1 A 98 98 THR CB C 98 68.638 69.032 -0.394 1 1 1226 . 12 1 1 A 99 99 GLU H H 99 9.316 8.323 0.993 1 1 1227 . 12 1 1 A 99 99 GLU HA H 99 4.221 4.064 0.157 1 1 1232 . 12 1 1 A 99 99 GLU C C 99 179.241 179.565 -0.324 1 1 1233 . 12 1 1 A 99 99 GLU CA C 99 60.754 59.455 1.299 1 1 1234 . 12 1 1 A 99 99 GLU CB C 99 28.764 29.376 -0.612 1 1 1236 . 12 1 1 A 99 99 GLU N N 99 125.868 121.259 4.609 1 1 1237 . 12 1 1 A 100 100 SER H H 100 8.739 9.465 -0.726 1 1 1238 . 12 1 1 A 100 100 SER HA H 100 4.863 4.444 0.419 1 1 1241 . 12 1 1 A 100 100 SER C C 100 177.411 177.202 0.209 1 1 1242 . 12 1 1 A 100 100 SER CA C 100 61.037 62.941 -1.904 1 1 1243 . 12 1 1 A 100 100 SER CB C 100 63.879 62.850 1.029 1 1 1244 . 12 1 1 A 100 100 SER N N 100 114.755 116.244 -1.489 1 1 1245 . 12 1 1 A 101 101 GLY H H 101 7.879 8.551 -0.672 1 1 1246 . 12 1 1 A 101 101 GLY HA2 H 101 4.139 4.014 0.125 1 1 1247 . 12 1 1 A 101 101 GLY HA3 H 101 4.012 4.145 -0.133 1 1 1248 . 12 1 1 A 101 101 GLY C C 101 174.611 176.352 -1.741 1 1 1249 . 12 1 1 A 101 101 GLY CA C 101 48.948 47.569 1.379 1 1 1250 . 12 1 1 A 101 101 GLY N N 101 108.940 109.838 -0.898 1 1 1251 . 12 1 1 A 102 102 GLU H H 102 7.801 8.869 -1.068 1 1 1252 . 12 1 1 A 102 102 GLU HA H 102 4.171 4.075 0.096 1 1 1257 . 12 1 1 A 102 102 GLU C C 102 179.084 178.998 0.086 1 1 1258 . 12 1 1 A 102 102 GLU CA C 102 58.601 59.532 -0.931 1 1 1259 . 12 1 1 A 102 102 GLU CB C 102 29.627 29.454 0.173 1 1 1261 . 12 1 1 A 102 102 GLU N N 102 120.720 121.631 -0.911 1 1 1262 . 12 1 1 A 103 103 GLU H H 103 7.781 8.063 -0.282 1 1 1263 . 12 1 1 A 103 103 GLU HA H 103 3.739 3.998 -0.259 1 1 1268 . 12 1 1 A 103 103 GLU C C 103 178.235 179.385 -1.150 1 1 1269 . 12 1 1 A 103 103 GLU CA C 103 60.366 59.258 1.108 1 1 1270 . 12 1 1 A 103 103 GLU CB C 103 30.491 29.395 1.096 1 1 1272 . 12 1 1 A 103 103 GLU N N 103 119.068 118.679 0.389 1 1 1273 . 12 1 1 A 104 104 TRP H H 104 8.761 8.320 0.441 1 1 1274 . 12 1 1 A 104 104 TRP HA H 104 4.171 4.578 -0.407 1 1 1283 . 12 1 1 A 104 104 TRP C C 104 178.817 178.827 -0.010 1 1 1284 . 12 1 1 A 104 104 TRP CA C 104 62.290 60.751 1.539 1 1 1285 . 12 1 1 A 104 104 TRP CB C 104 29.340 29.798 -0.458 1 1 1291 . 12 1 1 A 104 104 TRP N N 104 118.358 120.622 -2.264 1 1 1293 . 12 1 1 A 105 105 ARG H H 105 8.400 8.743 -0.343 1 1 1294 . 12 1 1 A 105 105 ARG HA H 105 3.481 3.746 -0.265 1 1 1302 . 12 1 1 A 105 105 ARG C C 105 177.666 178.959 -1.293 1 1 1303 . 12 1 1 A 105 105 ARG CA C 105 60.666 59.584 1.082 1 1 1304 . 12 1 1 A 105 105 ARG CB C 105 30.162 29.852 0.310 1 1 1307 . 12 1 1 A 105 105 ARG N N 105 117.098 119.706 -2.608 1 1 1309 . 12 1 1 A 106 106 GLY H H 106 8.202 8.689 -0.487 1 1 1310 . 12 1 1 A 106 106 GLY HA2 H 106 3.470 3.469 0.001 1 1 1311 . 12 1 1 A 106 106 GLY HA3 H 106 3.382 3.506 -0.124 1 1 1312 . 12 1 1 A 106 106 GLY C C 106 176.162 176.134 0.028 1 1 1313 . 12 1 1 A 106 106 GLY CA C 106 47.554 47.259 0.295 1 1 1314 . 12 1 1 A 106 106 GLY N N 106 104.212 106.582 -2.370 1 1 1315 . 12 1 1 A 107 107 PHE H H 107 8.491 9.078 -0.587 1 1 1316 . 12 1 1 A 107 107 PHE HA H 107 3.722 4.510 -0.788 1 1 1324 . 12 1 1 A 107 107 PHE C C 107 177.265 178.094 -0.829 1 1 1325 . 12 1 1 A 107 107 PHE CA C 107 64.284 59.513 4.771 1 1 1326 . 12 1 1 A 107 107 PHE CB C 107 39.209 38.351 0.858 1 1 1332 . 12 1 1 A 107 107 PHE N N 107 122.710 120.575 2.135 1 1 1333 . 12 1 1 A 108 108 ILE H H 108 8.674 9.460 -0.786 1 1 1334 . 12 1 1 A 108 108 ILE HA H 108 3.523 3.742 -0.219 1 1 1344 . 12 1 1 A 108 108 ILE C C 108 178.623 178.043 0.580 1 1 1345 . 12 1 1 A 108 108 ILE CA C 108 66.384 65.210 1.174 1 1 1346 . 12 1 1 A 108 108 ILE CB C 108 37.852 37.915 -0.063 1 1 1350 . 12 1 1 A 108 108 ILE N N 108 117.395 120.281 -2.886 1 1 1351 . 12 1 1 A 109 109 LEU H H 109 8.378 8.282 0.096 1 1 1352 . 12 1 1 A 109 109 LEU HA H 109 4.032 4.337 -0.305 1 1 1362 . 12 1 1 A 109 109 LEU C C 109 178.635 179.628 -0.993 1 1 1363 . 12 1 1 A 109 109 LEU CA C 109 57.878 57.712 0.166 1 1 1364 . 12 1 1 A 109 109 LEU CB C 109 40.854 41.569 -0.715 1 1 1368 . 12 1 1 A 109 109 LEU N N 109 118.573 119.233 -0.660 1 1 1369 . 12 1 1 A 110 110 THR H H 110 7.600 7.509 0.091 1 1 1370 . 12 1 1 A 110 110 THR HA H 110 4.110 4.556 -0.446 1 1 1375 . 12 1 1 A 110 110 THR C C 110 177.265 175.991 1.274 1 1 1376 . 12 1 1 A 110 110 THR CA C 110 68.325 66.055 2.270 1 1 1377 . 12 1 1 A 110 110 THR CB C 110 68.230 68.991 -0.761 1 1 1379 . 12 1 1 A 110 110 THR N N 110 115.926 115.044 0.882 1 1 1380 . 12 1 1 A 111 111 VAL H H 111 7.490 7.837 -0.347 1 1 1381 . 12 1 1 A 111 111 VAL HA H 111 3.912 4.153 -0.241 1 1 1389 . 12 1 1 A 111 111 VAL C C 111 174.793 176.717 -1.924 1 1 1390 . 12 1 1 A 111 111 VAL CA C 111 64.601 61.222 3.379 1 1 1391 . 12 1 1 A 111 111 VAL CB C 111 32.007 31.615 0.392 1 1 1394 . 12 1 1 A 111 111 VAL N N 111 109.123 115.279 -6.156 1 1 1395 . 12 1 1 A 112 112 THR H H 112 7.410 7.639 -0.229 1 1 1396 . 12 1 1 A 112 112 THR HA H 112 4.494 4.602 -0.108 1 1 1401 . 12 1 1 A 112 112 THR C C 112 177.265 175.531 1.734 1 1 1402 . 12 1 1 A 112 112 THR CA C 112 62.784 62.165 0.619 1 1 1403 . 12 1 1 A 112 112 THR CB C 112 69.290 70.471 -1.181 1 1 1405 . 12 1 1 A 112 112 THR N N 112 107.046 112.004 -4.958 1 1 1406 . 12 1 1 A 113 113 GLU H H 113 8.541 8.354 0.187 1 1 1407 . 12 1 1 A 113 113 GLU HA H 113 4.280 4.314 -0.034 1 1 1412 . 12 1 1 A 113 113 GLU C C 113 176.745 176.015 0.730 1 1 1413 . 12 1 1 A 113 113 GLU CA C 113 57.048 56.429 0.619 1 1 1414 . 12 1 1 A 113 113 GLU CB C 113 29.422 30.442 -1.020 1 1 1416 . 12 1 1 A 113 113 GLU N N 113 120.888 120.071 0.817 1 1 1417 . 12 1 1 A 114 114 LEU H H 114 7.561 7.652 -0.091 1 1 1418 . 12 1 1 A 114 114 LEU HA H 114 4.042 4.151 -0.109 1 1 1428 . 12 1 1 A 114 114 LEU C C 114 175.569 175.313 0.256 1 1 1429 . 12 1 1 A 114 114 LEU CA C 114 55.213 56.436 -1.223 1 1 1430 . 12 1 1 A 114 114 LEU CB C 114 38.182 40.141 -1.959 1 1 1434 . 12 1 1 A 114 114 LEU N N 114 114.453 118.953 -4.500 1 1 1435 . 12 1 1 A 115 115 SER H H 115 7.113 7.616 -0.503 1 1 1436 . 12 1 1 A 115 115 SER HA H 115 4.315 4.693 -0.378 1 1 1439 . 12 1 1 A 115 115 SER C C 115 173.521 172.247 1.274 1 1 1440 . 12 1 1 A 115 115 SER CA C 115 57.454 56.195 1.259 1 1 1441 . 12 1 1 A 115 115 SER CB C 115 64.505 65.128 -0.623 1 1 1442 . 12 1 1 A 115 115 SER N N 115 110.010 113.010 -3.000 1 1 1443 . 12 1 1 A 116 116 VAL H H 116 8.635 8.496 0.139 1 1 1444 . 12 1 1 A 116 116 VAL HA H 116 4.210 4.306 -0.096 1 1 1452 . 12 1 1 A 116 116 VAL C C 116 175.024 174.356 0.668 1 1 1453 . 12 1 1 A 116 116 VAL CA C 116 60.948 58.736 2.212 1 1 1454 . 12 1 1 A 116 116 VAL CB C 116 32.177 32.806 -0.629 1 1 1457 . 12 1 1 A 116 116 VAL N N 116 129.442 121.980 7.462 1 1 1458 . 12 1 1 A 117 117 PRO HA H 117 4.381 4.719 -0.338 1 1 1465 . 12 1 1 A 117 117 PRO C C 117 176.478 176.957 -0.479 1 1 1466 . 12 1 1 A 117 117 PRO CA C 117 62.678 62.516 0.162 1 1 1467 . 12 1 1 A 117 117 PRO CB C 117 31.931 32.083 -0.152 1 1 1470 . 12 1 1 A 118 118 GLN H H 118 8.576 8.839 -0.263 1 1 1471 . 12 1 1 A 118 118 GLN HA H 118 4.282 4.299 -0.017 1 1 1478 . 12 1 1 A 118 118 GLN C C 118 176.575 176.577 -0.002 1 1 1479 . 12 1 1 A 118 118 GLN CA C 118 55.866 56.454 -0.588 1 1 1480 . 12 1 1 A 118 118 GLN CB C 118 29.704 29.208 0.496 1 1 1482 . 12 1 1 A 118 118 GLN N N 118 118.498 120.156 -1.658 1 1 1484 . 12 1 1 A 119 119 ASN H H 119 8.444 7.751 0.693 1 1 1485 . 12 1 1 A 119 119 ASN HA H 119 4.727 4.858 -0.131 1 1 1490 . 12 1 1 A 119 119 ASN C C 119 174.842 173.645 1.197 1 1 1491 . 12 1 1 A 119 119 ASN CA C 119 52.812 52.750 0.062 1 1 1492 . 12 1 1 A 119 119 ASN CB C 119 37.071 36.751 0.320 1 1 1493 . 12 1 1 A 119 119 ASN N N 119 117.223 116.904 0.319 1 1 1495 . 12 1 1 A 120 120 VAL H H 120 7.182 7.825 -0.643 1 1 1496 . 12 1 1 A 120 120 VAL HA H 120 4.381 5.322 -0.941 1 1 1504 . 12 1 1 A 120 120 VAL C C 120 175.484 175.120 0.364 1 1 1505 . 12 1 1 A 120 120 VAL CA C 120 60.048 58.720 1.328 1 1 1506 . 12 1 1 A 120 120 VAL CB C 120 34.028 35.189 -1.161 1 1 1509 . 12 1 1 A 120 120 VAL N N 120 114.038 117.426 -3.388 1 1 1510 . 12 1 1 A 121 121 SER H H 121 9.313 8.594 0.719 1 1 1511 . 12 1 1 A 121 121 SER HA H 121 4.552 4.634 -0.082 1 1 1514 . 12 1 1 A 121 121 SER C C 121 173.096 174.777 -1.681 1 1 1515 . 12 1 1 A 121 121 SER CA C 121 57.119 58.108 -0.989 1 1 1516 . 12 1 1 A 121 121 SER CB C 121 62.528 63.656 -1.128 1 1 1517 . 12 1 1 A 121 121 SER N N 121 122.117 116.753 5.364 1 1 1518 . 12 1 1 A 122 122 LEU H H 122 7.470 7.338 0.132 1 1 1519 . 12 1 1 A 122 122 LEU HA H 122 4.618 4.226 0.392 1 1 1529 . 12 1 1 A 122 122 LEU C C 122 176.526 176.557 -0.031 1 1 1530 . 12 1 1 A 122 122 LEU CA C 122 52.795 55.160 -2.365 1 1 1531 . 12 1 1 A 122 122 LEU CB C 122 45.790 42.200 3.590 1 1 1535 . 12 1 1 A 122 122 LEU N N 122 122.878 124.646 -1.768 1 1 1536 . 12 1 1 A 123 123 LEU H H 123 8.765 8.384 0.381 1 1 1537 . 12 1 1 A 123 123 LEU HA H 123 4.574 4.742 -0.168 1 1 1547 . 12 1 1 A 123 123 LEU C C 123 176.769 177.182 -0.413 1 1 1548 . 12 1 1 A 123 123 LEU CA C 123 53.748 52.459 1.289 1 1 1549 . 12 1 1 A 123 123 LEU CB C 123 40.649 43.218 -2.569 1 1 1553 . 12 1 1 A 123 123 LEU N N 123 122.054 121.659 0.395 1 1 1554 . 12 1 1 A 124 124 PRO HA H 124 4.232 4.483 -0.251 1 1 1561 . 12 1 1 A 124 124 PRO CA C 124 66.281 64.302 1.979 1 1 1562 . 12 1 1 A 124 124 PRO CB C 124 31.945 31.834 0.111 1 1 1565 . 12 1 1 A 125 125 GLY HA2 H 125 3.901 3.896 0.005 1 1 1566 . 12 1 1 A 125 125 GLY HA3 H 125 3.901 3.901 0.000 1 1 1567 . 12 1 1 A 125 125 GLY C C 125 176.696 175.652 1.044 1 1 1568 . 12 1 1 A 125 125 GLY CA C 125 46.724 46.283 0.441 1 1 1569 . 12 1 1 A 126 126 GLN H H 126 7.495 7.893 -0.398 1 1 1570 . 12 1 1 A 126 126 GLN HA H 126 4.261 4.208 0.053 1 1 1577 . 12 1 1 A 126 126 GLN C C 126 178.235 177.957 0.278 1 1 1578 . 12 1 1 A 126 126 GLN CA C 126 57.807 58.440 -0.633 1 1 1579 . 12 1 1 A 126 126 GLN CB C 126 30.039 28.980 1.059 1 1 1581 . 12 1 1 A 126 126 GLN N N 126 120.404 120.381 0.023 1 1 1583 . 12 1 1 A 127 127 VAL H H 127 7.839 7.983 -0.144 1 1 1584 . 12 1 1 A 127 127 VAL HA H 127 3.360 3.444 -0.084 1 1 1592 . 12 1 1 A 127 127 VAL C C 127 178.441 177.724 0.717 1 1 1593 . 12 1 1 A 127 127 VAL CA C 127 67.231 66.391 0.840 1 1 1594 . 12 1 1 A 127 127 VAL CB C 127 31.948 31.268 0.680 1 1 1597 . 12 1 1 A 127 127 VAL N N 127 121.180 120.140 1.040 1 1 1598 . 12 1 1 A 128 128 ILE H H 128 7.725 8.141 -0.416 1 1 1599 . 12 1 1 A 128 128 ILE HA H 128 3.820 3.648 0.172 1 1 1609 . 12 1 1 A 128 128 ILE C C 128 178.599 178.003 0.596 1 1 1610 . 12 1 1 A 128 128 ILE CA C 128 64.978 65.622 -0.644 1 1 1611 . 12 1 1 A 128 128 ILE CB C 128 37.976 37.640 0.336 1 1 1615 . 12 1 1 A 128 128 ILE N N 128 119.369 120.398 -1.029 1 1 1616 . 12 1 1 A 129 129 LYS H H 129 7.204 7.614 -0.410 1 1 1617 . 12 1 1 A 129 129 LYS HA H 129 4.241 3.898 0.343 1 1 1626 . 12 1 1 A 129 129 LYS C C 129 178.902 179.007 -0.105 1 1 1627 . 12 1 1 A 129 129 LYS CA C 129 58.690 59.368 -0.678 1 1 1628 . 12 1 1 A 129 129 LYS CB C 129 31.725 32.144 -0.419 1 1 1632 . 12 1 1 A 129 129 LYS N N 129 119.356 118.972 0.384 1 1 1633 . 12 1 1 A 130 130 LEU H H 130 7.750 7.447 0.303 1 1 1634 . 12 1 1 A 130 130 LEU HA H 130 3.649 3.577 0.072 1 1 1644 . 12 1 1 A 130 130 LEU C C 130 178.756 179.185 -0.429 1 1 1645 . 12 1 1 A 130 130 LEU CA C 130 57.913 57.517 0.396 1 1 1646 . 12 1 1 A 130 130 LEU CB C 130 40.197 41.283 -1.086 1 1 1650 . 12 1 1 A 130 130 LEU N N 130 118.271 119.483 -1.212 1 1 1651 . 12 1 1 A 131 131 HIS H H 131 7.732 7.815 -0.083 1 1 1652 . 12 1 1 A 131 131 HIS HA H 131 3.918 4.171 -0.253 1 1 1657 . 12 1 1 A 131 131 HIS C C 131 178.392 177.729 0.663 1 1 1658 . 12 1 1 A 131 131 HIS CA C 131 61.019 60.031 0.988 1 1 1659 . 12 1 1 A 131 131 HIS CB C 131 29.951 29.482 0.469 1 1 1662 . 12 1 1 A 131 131 HIS N N 131 117.308 117.253 0.055 1 1 1663 . 12 1 1 A 132 132 GLU H H 132 8.030 9.157 -1.127 1 1 1664 . 12 1 1 A 132 132 GLU HA H 132 4.097 3.873 0.224 1 1 1669 . 12 1 1 A 132 132 GLU C C 132 179.907 179.203 0.704 1 1 1670 . 12 1 1 A 132 132 GLU CA C 132 59.660 59.402 0.258 1 1 1671 . 12 1 1 A 132 132 GLU CB C 132 29.627 29.216 0.411 1 1 1673 . 12 1 1 A 132 132 GLU N N 132 121.443 119.026 2.417 1 1 1674 . 12 1 1 A 133 133 VAL H H 133 8.250 9.030 -0.780 1 1 1675 . 12 1 1 A 133 133 VAL HA H 133 3.352 2.989 0.363 1 1 1683 . 12 1 1 A 133 133 VAL C C 133 176.575 177.787 -1.212 1 1 1684 . 12 1 1 A 133 133 VAL CA C 133 66.367 66.274 0.093 1 1 1685 . 12 1 1 A 133 133 VAL CB C 133 31.203 31.291 -0.088 1 1 1688 . 12 1 1 A 133 133 VAL N N 133 121.281 120.227 1.054 1 1 1689 . 12 1 1 A 134 134 LEU H H 134 8.259 8.005 0.254 1 1 1690 . 12 1 1 A 134 134 LEU HA H 134 3.645 3.822 -0.177 1 1 1700 . 12 1 1 A 134 134 LEU C C 134 177.980 178.092 -0.112 1 1 1701 . 12 1 1 A 134 134 LEU CA C 134 58.154 58.648 -0.494 1 1 1702 . 12 1 1 A 134 134 LEU CB C 134 40.320 41.917 -1.597 1 1 1706 . 12 1 1 A 134 134 LEU N N 134 120.134 120.225 -0.091 1 1 1707 . 12 1 1 A 135 135 GLU H H 135 7.611 8.410 -0.799 1 1 1708 . 12 1 1 A 135 135 GLU HA H 135 3.972 3.900 0.072 1 1 1713 . 12 1 1 A 135 135 GLU C C 135 179.834 179.265 0.569 1 1 1714 . 12 1 1 A 135 135 GLU CA C 135 59.325 59.647 -0.322 1 1 1715 . 12 1 1 A 135 135 GLU CB C 135 29.134 29.263 -0.129 1 1 1717 . 12 1 1 A 135 135 GLU N N 135 116.026 117.726 -1.700 1 1 1718 . 12 1 1 A 136 136 ARG H H 136 7.789 8.539 -0.750 1 1 1719 . 12 1 1 A 136 136 ARG HA H 136 4.140 4.122 0.018 1 1 1726 . 12 1 1 A 136 136 ARG C C 136 179.083 179.069 0.014 1 1 1727 . 12 1 1 A 136 136 ARG CA C 136 59.131 59.469 -0.338 1 1 1728 . 12 1 1 A 136 136 ARG CB C 136 30.368 30.010 0.358 1 1 1731 . 12 1 1 A 136 136 ARG N N 136 119.681 120.009 -0.328 1 1 1732 . 12 1 1 A 137 137 GLU H H 137 9.238 8.916 0.322 1 1 1733 . 12 1 1 A 137 137 GLU HA H 137 4.637 4.206 0.431 1 1 1738 . 12 1 1 A 137 137 GLU C C 137 178.817 178.742 0.075 1 1 1739 . 12 1 1 A 137 137 GLU CA C 137 58.036 59.255 -1.219 1 1 1740 . 12 1 1 A 137 137 GLU CB C 137 28.147 28.383 -0.236 1 1 1742 . 12 1 1 A 137 137 GLU N N 137 124.333 118.348 5.985 1 1 1743 . 12 1 1 A 138 138 LYS H H 138 8.788 8.552 0.236 1 1 1744 . 12 1 1 A 138 138 LYS HA H 138 3.899 3.980 -0.081 1 1 1753 . 12 1 1 A 138 138 LYS C C 138 179.944 179.272 0.672 1 1 1754 . 12 1 1 A 138 138 LYS CA C 138 60.754 59.727 1.027 1 1 1755 . 12 1 1 A 138 138 LYS CB C 138 32.789 32.249 0.540 1 1 1759 . 12 1 1 A 138 138 LYS N N 138 119.622 119.867 -0.245 1 1 1760 . 12 1 1 A 139 139 LYS H H 139 7.313 7.769 -0.456 1 1 1761 . 12 1 1 A 139 139 LYS HA H 139 4.070 3.914 0.156 1 1 1770 . 12 1 1 A 139 139 LYS C C 139 178.235 179.316 -1.081 1 1 1771 . 12 1 1 A 139 139 LYS CA C 139 59.166 59.975 -0.809 1 1 1772 . 12 1 1 A 139 139 LYS CB C 139 32.424 32.216 0.208 1 1 1776 . 12 1 1 A 139 139 LYS N N 139 117.326 119.527 -2.201 1 1 1777 . 12 1 1 A 140 140 ARG H H 140 8.344 8.504 -0.160 1 1 1778 . 12 1 1 A 140 140 ARG HA H 140 4.080 4.132 -0.052 1 1 1786 . 12 1 1 A 140 140 ARG C C 140 179.531 178.665 0.866 1 1 1787 . 12 1 1 A 140 140 ARG CA C 140 59.184 58.762 0.422 1 1 1788 . 12 1 1 A 140 140 ARG CB C 140 31.190 29.988 1.202 1 1 1791 . 12 1 1 A 140 140 ARG N N 140 121.404 119.287 2.117 1 1 1793 . 12 1 1 A 141 141 ARG H H 141 8.171 8.573 -0.402 1 1 1794 . 12 1 1 A 141 141 ARG HA H 141 4.034 4.346 -0.312 1 1 1802 . 12 1 1 A 141 141 ARG C C 141 178.671 178.705 -0.034 1 1 1803 . 12 1 1 A 141 141 ARG CA C 141 58.337 58.704 -0.367 1 1 1804 . 12 1 1 A 141 141 ARG CB C 141 30.327 29.419 0.908 1 1 1807 . 12 1 1 A 141 141 ARG N N 141 115.667 119.010 -3.343 1 1 1809 . 12 1 1 A 142 142 ILE H H 142 7.521 8.008 -0.487 1 1 1810 . 12 1 1 A 142 142 ILE HA H 142 4.074 3.649 0.425 1 1 1820 . 12 1 1 A 142 142 ILE C C 142 177.787 177.612 0.175 1 1 1821 . 12 1 1 A 142 142 ILE CA C 142 63.178 65.116 -1.938 1 1 1822 . 12 1 1 A 142 142 ILE CB C 142 38.346 37.609 0.737 1 1 1826 . 12 1 1 A 142 142 ILE N N 142 118.031 121.598 -3.567 1 1 1827 . 12 1 1 A 143 143 GLU H H 143 8.041 8.271 -0.230 1 1 1828 . 12 1 1 A 143 143 GLU HA H 143 4.251 4.056 0.195 1 1 1833 . 12 1 1 A 143 143 GLU C C 143 177.217 176.617 0.600 1 1 1834 . 12 1 1 A 143 143 GLU CA C 143 57.595 59.480 -1.885 1 1 1835 . 12 1 1 A 143 143 GLU CB C 143 29.998 29.423 0.575 1 1 1837 . 12 1 1 A 143 143 GLU N N 143 120.963 120.290 0.673 1 1 1838 . 12 1 1 A 144 144 SER H H 144 8.041 7.718 0.323 1 1 1839 . 12 1 1 A 144 144 SER HA H 144 4.538 4.967 -0.429 1 1 1842 . 12 1 1 A 144 144 SER C C 144 174.721 173.608 1.113 1 1 1843 . 12 1 1 A 144 144 SER CA C 144 58.801 56.655 2.146 1 1 1844 . 12 1 1 A 144 144 SER CB C 144 64.126 64.507 -0.381 1 1 1845 . 12 1 1 A 144 144 SER N N 144 114.646 113.750 0.896 1 1 1846 . 12 1 1 A 145 145 GLY H H 145 7.982 8.209 -0.227 1 1 1847 . 12 1 1 A 145 145 GLY HA2 H 145 4.102 4.157 -0.055 1 1 1848 . 12 1 1 A 145 145 GLY HA3 H 145 4.231 4.158 0.073 1 1 1849 . 12 1 1 A 145 145 GLY C C 145 171.800 171.366 0.434 1 1 1850 . 12 1 1 A 145 145 GLY CA C 145 44.854 45.168 -0.314 1 1 1851 . 12 1 1 A 145 145 GLY N N 145 110.299 113.629 -3.330 1 1 1852 . 12 1 1 A 146 146 PRO HA H 146 4.510 4.600 -0.090 1 1 1859 . 12 1 1 A 146 146 PRO C C 146 177.496 176.265 1.231 1 1 1860 . 12 1 1 A 146 146 PRO CA C 146 63.313 62.527 0.786 1 1 1861 . 12 1 1 A 146 146 PRO CB C 146 32.177 33.433 -1.256 1 1 1864 . 12 1 1 A 147 147 SER H H 147 8.530 8.805 -0.275 1 1 1865 . 12 1 1 A 147 147 SER C C 147 174.721 173.844 0.877 1 1 1866 . 12 1 1 A 147 147 SER CA C 147 58.390 59.558 -1.168 1 1 1867 . 12 1 1 A 147 147 SER CB C 147 63.803 65.666 -1.863 1 1 1868 . 12 1 1 A 147 147 SER N N 147 116.436 115.011 1.425 1 1 1869 . 12 1 1 A 148 148 SER H H 148 8.348 7.792 0.556 1 1 1870 . 12 1 1 A 148 148 SER C C 148 173.957 173.039 0.918 1 1 1871 . 12 1 1 A 148 148 SER CA C 148 58.372 57.291 1.081 1 1 1872 . 12 1 1 A 148 148 SER CB C 148 64.008 65.646 -1.638 1 1 1 . 13 1 1 A 8 8 GLN HA H 8 4.221 4.867 -0.646 1 1 8 . 13 1 1 A 8 8 GLN CA C 8 56.851 55.495 1.356 1 1 9 . 13 1 1 A 8 8 GLN CB C 8 28.887 31.996 -3.109 1 1 12 . 13 1 1 A 9 9 GLU H H 9 8.480 8.850 -0.370 1 1 13 . 13 1 1 A 9 9 GLU HA H 9 4.166 4.761 -0.595 1 1 18 . 13 1 1 A 9 9 GLU CA C 9 58.333 55.929 2.404 1 1 19 . 13 1 1 A 9 9 GLU CB C 9 29.545 30.518 -0.973 1 1 21 . 13 1 1 A 9 9 GLU N N 9 121.149 125.050 -3.901 1 1 22 . 13 1 1 A 10 10 ARG H H 10 8.336 8.695 -0.359 1 1 23 . 13 1 1 A 10 10 ARG HA H 10 4.131 4.725 -0.594 1 1 30 . 13 1 1 A 10 10 ARG C C 10 177.350 175.005 2.345 1 1 31 . 13 1 1 A 10 10 ARG CA C 10 57.731 55.009 2.722 1 1 32 . 13 1 1 A 10 10 ARG CB C 10 30.061 30.886 -0.825 1 1 35 . 13 1 1 A 10 10 ARG N N 10 120.177 124.411 -4.234 1 1 36 . 13 1 1 A 11 11 LEU H H 11 7.741 7.972 -0.231 1 1 37 . 13 1 1 A 11 11 LEU HA H 11 4.219 4.562 -0.343 1 1 44 . 13 1 1 A 11 11 LEU CA C 11 56.781 54.098 2.683 1 1 45 . 13 1 1 A 11 11 LEU CB C 11 41.875 42.508 -0.633 1 1 49 . 13 1 1 A 11 11 LEU N N 11 120.410 125.904 -5.494 1 1 50 . 13 1 1 A 12 12 LYS H H 12 7.816 8.148 -0.332 1 1 51 . 13 1 1 A 12 12 LYS HA H 12 4.091 4.131 -0.040 1 1 60 . 13 1 1 A 12 12 LYS CA C 12 58.234 57.726 0.508 1 1 61 . 13 1 1 A 12 12 LYS CB C 12 32.530 33.441 -0.911 1 1 65 . 13 1 1 A 12 12 LYS N N 12 119.365 122.334 -2.969 1 1 66 . 13 1 1 A 13 13 ILE H H 13 7.851 8.754 -0.903 1 1 67 . 13 1 1 A 13 13 ILE HA H 13 3.951 4.002 -0.051 1 1 77 . 13 1 1 A 13 13 ILE C C 13 176.914 176.040 0.874 1 1 78 . 13 1 1 A 13 13 ILE CA C 13 62.713 63.306 -0.593 1 1 79 . 13 1 1 A 13 13 ILE CB C 13 38.264 38.560 -0.296 1 1 83 . 13 1 1 A 14 14 THR H H 14 7.750 7.694 0.056 1 1 84 . 13 1 1 A 14 14 THR HA H 14 4.021 4.607 -0.586 1 1 88 . 13 1 1 A 14 14 THR C C 14 174.818 173.270 1.548 1 1 89 . 13 1 1 A 14 14 THR CA C 14 63.172 60.242 2.930 1 1 90 . 13 1 1 A 14 14 THR CB C 14 68.985 71.316 -2.331 1 1 92 . 13 1 1 A 14 14 THR N N 14 110.999 112.489 -1.490 1 1 93 . 13 1 1 A 15 15 ALA H H 15 7.922 8.440 -0.518 1 1 94 . 13 1 1 A 15 15 ALA HA H 15 4.141 4.346 -0.205 1 1 98 . 13 1 1 A 15 15 ALA C C 15 177.593 176.703 0.890 1 1 99 . 13 1 1 A 15 15 ALA CA C 15 53.007 53.569 -0.562 1 1 100 . 13 1 1 A 15 15 ALA CB C 15 18.747 19.802 -1.055 1 1 101 . 13 1 1 A 15 15 ALA N N 15 122.429 128.438 -6.009 1 1 102 . 13 1 1 A 16 16 LEU H H 16 7.442 7.674 -0.232 1 1 103 . 13 1 1 A 16 16 LEU HA H 16 4.653 4.447 0.206 1 1 112 . 13 1 1 A 16 16 LEU C C 16 173.182 174.748 -1.566 1 1 113 . 13 1 1 A 16 16 LEU CA C 16 51.524 52.769 -1.245 1 1 114 . 13 1 1 A 16 16 LEU CB C 16 45.831 41.578 4.253 1 1 118 . 13 1 1 A 16 16 LEU N N 16 120.226 117.619 2.607 1 1 119 . 13 1 1 A 17 17 PRO HA H 17 4.140 4.684 -0.544 1 1 126 . 13 1 1 A 17 17 PRO C C 17 174.296 176.108 -1.812 1 1 127 . 13 1 1 A 17 17 PRO CA C 17 62.007 62.294 -0.287 1 1 128 . 13 1 1 A 17 17 PRO CB C 17 32.013 31.766 0.247 1 1 131 . 13 1 1 A 18 18 LEU H H 18 8.071 8.282 -0.211 1 1 132 . 13 1 1 A 18 18 LEU HA H 18 4.097 4.100 -0.003 1 1 142 . 13 1 1 A 18 18 LEU C C 18 176.974 175.604 1.370 1 1 143 . 13 1 1 A 18 18 LEU CA C 18 55.043 55.413 -0.370 1 1 144 . 13 1 1 A 18 18 LEU CB C 18 42.376 42.388 -0.012 1 1 148 . 13 1 1 A 18 18 LEU N N 18 119.963 123.651 -3.688 1 1 149 . 13 1 1 A 19 19 TYR H H 19 9.108 8.970 0.138 1 1 150 . 13 1 1 A 19 19 TYR HA H 19 5.121 4.672 0.449 1 1 157 . 13 1 1 A 19 19 TYR C C 19 174.515 175.258 -0.743 1 1 158 . 13 1 1 A 19 19 TYR CA C 19 55.160 58.908 -3.748 1 1 159 . 13 1 1 A 19 19 TYR CB C 19 39.292 40.844 -1.552 1 1 164 . 13 1 1 A 19 19 TYR N N 19 127.955 123.709 4.246 1 1 165 . 13 1 1 A 20 20 PHE H H 20 7.560 7.048 0.512 1 1 166 . 13 1 1 A 20 20 PHE HA H 20 4.281 4.600 -0.319 1 1 174 . 13 1 1 A 20 20 PHE C C 20 171.170 173.218 -2.048 1 1 175 . 13 1 1 A 20 20 PHE CA C 20 57.031 57.895 -0.864 1 1 176 . 13 1 1 A 20 20 PHE CB C 20 40.937 41.130 -0.193 1 1 182 . 13 1 1 A 20 20 PHE N N 20 115.328 116.500 -1.172 1 1 183 . 13 1 1 A 21 21 GLU H H 21 5.556 7.461 -1.905 1 1 184 . 13 1 1 A 21 21 GLU HA H 21 5.191 4.716 0.475 1 1 189 . 13 1 1 A 21 21 GLU C C 21 173.024 173.954 -0.930 1 1 190 . 13 1 1 A 21 21 GLU CA C 21 53.025 54.377 -1.352 1 1 191 . 13 1 1 A 21 21 GLU CB C 21 31.760 33.267 -1.507 1 1 193 . 13 1 1 A 21 21 GLU N N 21 118.643 119.245 -0.602 1 1 194 . 13 1 1 A 22 22 GLY H H 22 7.721 7.576 0.145 1 1 195 . 13 1 1 A 22 22 GLY HA2 H 22 4.024 3.738 0.286 1 1 196 . 13 1 1 A 22 22 GLY HA3 H 22 3.107 4.026 -0.919 1 1 197 . 13 1 1 A 22 22 GLY C C 22 171.994 171.846 0.148 1 1 198 . 13 1 1 A 22 22 GLY CA C 22 45.013 45.367 -0.354 1 1 199 . 13 1 1 A 22 22 GLY N N 22 106.155 106.242 -0.087 1 1 200 . 13 1 1 A 23 23 PHE H H 23 8.881 8.545 0.336 1 1 201 . 13 1 1 A 23 23 PHE HA H 23 5.303 4.492 0.811 1 1 209 . 13 1 1 A 23 23 PHE C C 23 176.926 175.185 1.741 1 1 210 . 13 1 1 A 23 23 PHE CA C 23 60.013 59.739 0.274 1 1 211 . 13 1 1 A 23 23 PHE CB C 23 40.937 39.303 1.634 1 1 217 . 13 1 1 A 23 23 PHE N N 23 119.442 120.948 -1.506 1 1 218 . 13 1 1 A 24 24 LEU H H 24 9.072 8.722 0.350 1 1 219 . 13 1 1 A 24 24 LEU HA H 24 4.562 4.973 -0.411 1 1 229 . 13 1 1 A 24 24 LEU C C 24 174.406 174.505 -0.099 1 1 230 . 13 1 1 A 24 24 LEU CA C 24 54.437 53.431 1.006 1 1 231 . 13 1 1 A 24 24 LEU CB C 24 48.381 45.151 3.230 1 1 235 . 13 1 1 A 24 24 LEU N N 24 122.488 126.240 -3.752 1 1 236 . 13 1 1 A 25 25 LEU H H 25 8.120 8.528 -0.408 1 1 237 . 13 1 1 A 25 25 LEU HA H 25 5.480 5.354 0.126 1 1 247 . 13 1 1 A 25 25 LEU C C 25 176.175 175.774 0.401 1 1 248 . 13 1 1 A 25 25 LEU CA C 25 54.242 53.097 1.145 1 1 249 . 13 1 1 A 25 25 LEU CB C 25 42.576 43.428 -0.852 1 1 253 . 13 1 1 A 25 25 LEU N N 25 120.790 125.920 -5.130 1 1 254 . 13 1 1 A 26 26 ILE H H 26 9.110 8.487 0.623 1 1 255 . 13 1 1 A 26 26 ILE HA H 26 5.232 4.615 0.617 1 1 265 . 13 1 1 A 26 26 ILE C C 26 174.757 174.916 -0.159 1 1 266 . 13 1 1 A 26 26 ILE CA C 26 57.613 59.533 -1.920 1 1 267 . 13 1 1 A 26 26 ILE CB C 26 41.343 40.049 1.294 1 1 271 . 13 1 1 A 26 26 ILE N N 26 120.679 124.192 -3.513 1 1 272 . 13 1 1 A 27 27 LYS H H 27 9.150 7.861 1.289 1 1 273 . 13 1 1 A 27 27 LYS HA H 27 4.425 3.832 0.593 1 1 282 . 13 1 1 A 27 27 LYS C C 27 175.557 175.823 -0.266 1 1 283 . 13 1 1 A 27 27 LYS CA C 27 56.095 54.688 1.407 1 1 284 . 13 1 1 A 27 27 LYS CB C 27 35.056 31.417 3.639 1 1 288 . 13 1 1 A 27 27 LYS N N 27 127.778 126.246 1.532 1 1 289 . 13 1 1 A 28 28 ARG H H 28 5.868 8.018 -2.150 1 1 290 . 13 1 1 A 28 28 ARG HA H 28 4.429 3.992 0.437 1 1 298 . 13 1 1 A 28 28 ARG C C 28 176.078 177.002 -0.924 1 1 299 . 13 1 1 A 28 28 ARG CA C 28 54.542 59.486 -4.944 1 1 300 . 13 1 1 A 28 28 ARG CB C 28 31.602 30.191 1.411 1 1 303 . 13 1 1 A 28 28 ARG N N 28 124.548 125.238 -0.690 1 1 305 . 13 1 1 A 29 29 SER H H 29 9.067 7.985 1.082 1 1 306 . 13 1 1 A 29 29 SER HA H 29 4.181 4.722 -0.541 1 1 309 . 13 1 1 A 29 29 SER C C 29 176.066 174.333 1.733 1 1 310 . 13 1 1 A 29 29 SER CA C 29 61.019 59.496 1.523 1 1 311 . 13 1 1 A 29 29 SER CB C 29 63.057 65.348 -2.291 1 1 312 . 13 1 1 A 29 29 SER N N 29 116.823 110.329 6.494 1 1 313 . 13 1 1 A 30 30 GLY HA2 H 30 3.810 3.714 0.096 1 1 314 . 13 1 1 A 30 30 GLY HA3 H 30 4.172 3.797 0.375 1 1 315 . 13 1 1 A 30 30 GLY CA C 30 45.171 46.852 -1.681 1 1 316 . 13 1 1 A 31 31 TYR H H 31 8.001 8.354 -0.353 1 1 317 . 13 1 1 A 31 31 TYR HA H 31 4.729 4.729 0.000 1 1 324 . 13 1 1 A 31 31 TYR CB C 31 37.249 40.194 -2.945 1 1 329 . 13 1 1 A 31 31 TYR N N 31 121.120 120.732 0.388 1 1 330 . 13 1 1 A 32 32 ARG HA H 32 4.204 4.167 0.037 1 1 337 . 13 1 1 A 32 32 ARG C C 32 176.066 176.345 -0.279 1 1 338 . 13 1 1 A 32 32 ARG CA C 32 57.631 58.008 -0.377 1 1 339 . 13 1 1 A 32 32 ARG CB C 32 30.861 30.243 0.618 1 1 342 . 13 1 1 A 33 33 GLU H H 33 7.700 8.338 -0.638 1 1 343 . 13 1 1 A 33 33 GLU HA H 33 4.600 4.600 0.000 1 1 348 . 13 1 1 A 33 33 GLU C C 33 175.569 175.881 -0.312 1 1 349 . 13 1 1 A 33 33 GLU CA C 33 53.695 56.730 -3.035 1 1 350 . 13 1 1 A 33 33 GLU CB C 33 33.000 29.895 3.105 1 1 352 . 13 1 1 A 33 33 GLU N N 33 115.988 118.413 -2.425 1 1 353 . 13 1 1 A 34 34 TYR H H 34 8.755 8.061 0.694 1 1 354 . 13 1 1 A 34 34 TYR HA H 34 4.311 4.638 -0.327 1 1 361 . 13 1 1 A 34 34 TYR C C 34 176.999 175.192 1.807 1 1 362 . 13 1 1 A 34 34 TYR CA C 34 59.537 59.110 0.427 1 1 363 . 13 1 1 A 34 34 TYR CB C 34 39.744 37.181 2.563 1 1 368 . 13 1 1 A 34 34 TYR N N 34 118.663 118.419 0.244 1 1 369 . 13 1 1 A 35 35 GLU H H 35 9.024 8.379 0.645 1 1 370 . 13 1 1 A 35 35 GLU HA H 35 4.401 4.895 -0.494 1 1 375 . 13 1 1 A 35 35 GLU C C 35 174.406 175.644 -1.238 1 1 376 . 13 1 1 A 35 35 GLU CA C 35 54.330 55.238 -0.908 1 1 377 . 13 1 1 A 35 35 GLU CB C 35 31.972 31.131 0.841 1 1 379 . 13 1 1 A 35 35 GLU N N 35 122.488 120.587 1.901 1 1 380 . 13 1 1 A 36 36 HIS H H 36 8.639 8.780 -0.141 1 1 381 . 13 1 1 A 36 36 HIS HA H 36 4.980 5.170 -0.190 1 1 386 . 13 1 1 A 36 36 HIS C C 36 174.127 174.153 -0.026 1 1 387 . 13 1 1 A 36 36 HIS CA C 36 55.607 54.350 1.257 1 1 388 . 13 1 1 A 36 36 HIS CB C 36 31.396 29.923 1.473 1 1 391 . 13 1 1 A 36 36 HIS N N 36 123.767 120.780 2.987 1 1 392 . 13 1 1 A 37 37 TYR H H 37 8.931 8.757 0.174 1 1 393 . 13 1 1 A 37 37 TYR HA H 37 5.668 5.014 0.654 1 1 400 . 13 1 1 A 37 37 TYR C C 37 177.969 174.806 3.163 1 1 401 . 13 1 1 A 37 37 TYR CA C 37 55.407 56.609 -1.202 1 1 402 . 13 1 1 A 37 37 TYR CB C 37 42.089 42.260 -0.171 1 1 407 . 13 1 1 A 37 37 TYR N N 37 124.075 122.996 1.079 1 1 408 . 13 1 1 A 38 38 TRP H H 38 8.931 9.344 -0.413 1 1 409 . 13 1 1 A 38 38 TRP HA H 38 4.329 5.097 -0.768 1 1 418 . 13 1 1 A 38 38 TRP C C 38 174.345 175.595 -1.250 1 1 419 . 13 1 1 A 38 38 TRP CA C 38 58.230 56.739 1.491 1 1 420 . 13 1 1 A 38 38 TRP CB C 38 28.846 29.343 -0.497 1 1 426 . 13 1 1 A 38 38 TRP N N 38 125.317 127.129 -1.812 1 1 428 . 13 1 1 A 39 39 THR H H 39 8.366 8.617 -0.251 1 1 429 . 13 1 1 A 39 39 THR HA H 39 5.535 5.274 0.261 1 1 434 . 13 1 1 A 39 39 THR C C 39 173.303 174.279 -0.976 1 1 435 . 13 1 1 A 39 39 THR CA C 39 62.037 62.831 -0.794 1 1 436 . 13 1 1 A 39 39 THR CB C 39 70.295 70.312 -0.017 1 1 438 . 13 1 1 A 39 39 THR N N 39 127.024 122.836 4.188 1 1 439 . 13 1 1 A 40 40 GLU H H 40 8.902 10.230 -1.328 1 1 440 . 13 1 1 A 40 40 GLU HA H 40 4.816 4.938 -0.122 1 1 445 . 13 1 1 A 40 40 GLU C C 40 175.351 174.857 0.494 1 1 446 . 13 1 1 A 40 40 GLU CA C 40 53.607 54.910 -1.303 1 1 447 . 13 1 1 A 40 40 GLU CB C 40 34.639 33.322 1.317 1 1 449 . 13 1 1 A 40 40 GLU N N 40 120.613 124.814 -4.201 1 1 450 . 13 1 1 A 41 41 LEU H H 41 8.910 8.700 0.210 1 1 451 . 13 1 1 A 41 41 LEU HA H 41 5.168 5.181 -0.013 1 1 461 . 13 1 1 A 41 41 LEU C C 41 174.806 174.954 -0.148 1 1 462 . 13 1 1 A 41 41 LEU CA C 41 53.872 54.519 -0.647 1 1 463 . 13 1 1 A 41 41 LEU CB C 41 43.610 43.471 0.139 1 1 467 . 13 1 1 A 41 41 LEU N N 41 123.682 127.622 -3.940 1 1 468 . 13 1 1 A 42 42 ARG H H 42 9.150 8.369 0.781 1 1 469 . 13 1 1 A 42 42 ARG HA H 42 5.182 4.541 0.641 1 1 474 . 13 1 1 A 42 42 ARG C C 42 176.272 176.380 -0.108 1 1 475 . 13 1 1 A 42 42 ARG CA C 42 53.643 54.799 -1.156 1 1 476 . 13 1 1 A 42 42 ARG CB C 42 33.205 33.419 -0.214 1 1 479 . 13 1 1 A 42 42 ARG N N 42 127.645 125.722 1.923 1 1 480 . 13 1 1 A 43 43 GLY H H 43 6.304 8.111 -1.807 1 1 481 . 13 1 1 A 43 43 GLY HA2 H 43 3.917 3.883 0.034 1 1 482 . 13 1 1 A 43 43 GLY HA3 H 43 3.812 4.025 -0.213 1 1 483 . 13 1 1 A 43 43 GLY C C 43 171.630 174.720 -3.090 1 1 484 . 13 1 1 A 43 43 GLY CA C 43 47.025 47.327 -0.302 1 1 485 . 13 1 1 A 43 43 GLY N N 43 112.565 113.345 -0.780 1 1 486 . 13 1 1 A 44 44 THR H H 44 7.841 8.492 -0.651 1 1 487 . 13 1 1 A 44 44 THR HA H 44 4.313 4.680 -0.367 1 1 492 . 13 1 1 A 44 44 THR C C 44 172.515 173.435 -0.920 1 1 493 . 13 1 1 A 44 44 THR CA C 44 60.207 61.098 -0.891 1 1 494 . 13 1 1 A 44 44 THR CB C 44 68.320 70.108 -1.788 1 1 496 . 13 1 1 A 44 44 THR N N 44 111.769 118.303 -6.534 1 1 497 . 13 1 1 A 45 45 THR H H 45 8.500 7.834 0.666 1 1 498 . 13 1 1 A 45 45 THR HA H 45 4.664 4.663 0.001 1 1 503 . 13 1 1 A 45 45 THR C C 45 172.224 173.728 -1.504 1 1 504 . 13 1 1 A 45 45 THR CA C 45 62.413 61.568 0.845 1 1 505 . 13 1 1 A 45 45 THR CB C 45 69.848 70.611 -0.763 1 1 507 . 13 1 1 A 45 45 THR N N 45 118.681 117.095 1.586 1 1 508 . 13 1 1 A 46 46 LEU H H 46 8.391 8.617 -0.226 1 1 509 . 13 1 1 A 46 46 LEU HA H 46 4.892 4.549 0.343 1 1 519 . 13 1 1 A 46 46 LEU C C 46 174.260 175.642 -1.382 1 1 520 . 13 1 1 A 46 46 LEU CA C 46 52.654 54.235 -1.581 1 1 521 . 13 1 1 A 46 46 LEU CB C 46 42.911 42.809 0.102 1 1 525 . 13 1 1 A 46 46 LEU N N 46 125.559 127.852 -2.293 1 1 526 . 13 1 1 A 47 47 PHE H H 47 9.131 9.401 -0.270 1 1 527 . 13 1 1 A 47 47 PHE HA H 47 3.940 4.520 -0.580 1 1 535 . 13 1 1 A 47 47 PHE C C 47 173.363 174.563 -1.200 1 1 536 . 13 1 1 A 47 47 PHE CA C 47 57.454 55.963 1.491 1 1 537 . 13 1 1 A 47 47 PHE CB C 47 42.747 42.233 0.514 1 1 543 . 13 1 1 A 47 47 PHE N N 47 121.095 121.846 -0.751 1 1 544 . 13 1 1 A 48 48 PHE H H 48 7.881 9.101 -1.220 1 1 545 . 13 1 1 A 48 48 PHE HA H 48 5.021 5.412 -0.391 1 1 553 . 13 1 1 A 48 48 PHE C C 48 173.727 174.390 -0.663 1 1 554 . 13 1 1 A 48 48 PHE CA C 48 56.166 56.115 0.051 1 1 555 . 13 1 1 A 48 48 PHE CB C 48 39.169 41.786 -2.617 1 1 561 . 13 1 1 A 48 48 PHE N N 48 120.063 122.083 -2.020 1 1 562 . 13 1 1 A 49 49 TYR H H 49 9.972 9.578 0.394 1 1 563 . 13 1 1 A 49 49 TYR HA H 49 5.190 5.153 0.037 1 1 570 . 13 1 1 A 49 49 TYR C C 49 176.587 176.428 0.159 1 1 571 . 13 1 1 A 49 49 TYR CA C 49 56.254 57.041 -0.787 1 1 572 . 13 1 1 A 49 49 TYR CB C 49 41.842 43.174 -1.332 1 1 577 . 13 1 1 A 49 49 TYR N N 49 121.415 121.579 -0.164 1 1 578 . 13 1 1 A 50 50 THR H H 50 9.511 9.078 0.433 1 1 579 . 13 1 1 A 50 50 THR HA H 50 4.571 4.722 -0.151 1 1 584 . 13 1 1 A 50 50 THR C C 50 174.793 174.391 0.402 1 1 585 . 13 1 1 A 50 50 THR CA C 50 65.361 63.203 2.158 1 1 586 . 13 1 1 A 50 50 THR CB C 50 69.043 69.342 -0.299 1 1 588 . 13 1 1 A 50 50 THR N N 50 114.446 114.507 -0.061 1 1 589 . 13 1 1 A 51 51 ASP H H 51 7.828 8.021 -0.193 1 1 590 . 13 1 1 A 51 51 ASP HA H 51 4.803 5.095 -0.292 1 1 593 . 13 1 1 A 51 51 ASP C C 51 174.685 175.961 -1.276 1 1 594 . 13 1 1 A 51 51 ASP CA C 51 53.254 53.126 0.128 1 1 595 . 13 1 1 A 51 51 ASP CB C 51 43.586 44.455 -0.869 1 1 596 . 13 1 1 A 51 51 ASP N N 51 115.656 120.057 -4.401 1 1 597 . 13 1 1 A 52 52 LYS H H 52 8.271 8.753 -0.482 1 1 598 . 13 1 1 A 52 52 LYS HA H 52 2.800 3.681 -0.881 1 1 607 . 13 1 1 A 52 52 LYS C C 52 176.671 178.414 -1.743 1 1 608 . 13 1 1 A 52 52 LYS CA C 52 58.372 58.701 -0.329 1 1 609 . 13 1 1 A 52 52 LYS CB C 52 32.178 31.584 0.594 1 1 613 . 13 1 1 A 52 52 LYS N N 52 119.009 120.887 -1.878 1 1 614 . 13 1 1 A 53 53 LYS H H 53 8.068 7.602 0.466 1 1 615 . 13 1 1 A 53 53 LYS HA H 53 4.109 4.210 -0.101 1 1 624 . 13 1 1 A 53 53 LYS C C 53 176.950 177.415 -0.465 1 1 625 . 13 1 1 A 53 53 LYS CA C 53 55.830 58.568 -2.738 1 1 626 . 13 1 1 A 53 53 LYS CB C 53 32.301 32.770 -0.469 1 1 630 . 13 1 1 A 53 53 LYS N N 53 116.395 117.761 -1.366 1 1 631 . 13 1 1 A 54 54 SER H H 54 7.549 7.576 -0.027 1 1 632 . 13 1 1 A 54 54 SER HA H 54 4.316 4.381 -0.065 1 1 635 . 13 1 1 A 54 54 SER C C 54 174.394 173.866 0.528 1 1 636 . 13 1 1 A 54 54 SER CA C 54 59.395 59.852 -0.457 1 1 637 . 13 1 1 A 54 54 SER CB C 54 64.337 64.069 0.268 1 1 638 . 13 1 1 A 54 54 SER N N 54 116.653 114.764 1.889 1 1 639 . 13 1 1 A 55 55 ILE H H 55 8.424 9.003 -0.579 1 1 640 . 13 1 1 A 55 55 ILE HA H 55 4.267 4.256 0.011 1 1 650 . 13 1 1 A 55 55 ILE C C 55 174.999 175.929 -0.930 1 1 651 . 13 1 1 A 55 55 ILE CA C 55 62.213 62.676 -0.463 1 1 652 . 13 1 1 A 55 55 ILE CB C 55 38.728 38.790 -0.062 1 1 656 . 13 1 1 A 55 55 ILE N N 55 118.660 125.837 -7.177 1 1 657 . 13 1 1 A 56 56 ILE H H 56 7.771 7.900 -0.129 1 1 658 . 13 1 1 A 56 56 ILE HA H 56 4.561 4.278 0.283 1 1 668 . 13 1 1 A 56 56 ILE C C 56 175.266 175.183 0.083 1 1 669 . 13 1 1 A 56 56 ILE CA C 56 59.342 60.677 -1.335 1 1 670 . 13 1 1 A 56 56 ILE CB C 56 39.506 37.225 2.281 1 1 674 . 13 1 1 A 56 56 ILE N N 56 119.568 121.163 -1.595 1 1 675 . 13 1 1 A 57 57 TYR H H 57 7.251 8.917 -1.666 1 1 676 . 13 1 1 A 57 57 TYR HA H 57 4.261 3.909 0.352 1 1 683 . 13 1 1 A 57 57 TYR C C 57 174.902 176.508 -1.606 1 1 684 . 13 1 1 A 57 57 TYR CA C 57 56.201 57.733 -1.532 1 1 685 . 13 1 1 A 57 57 TYR CB C 57 37.230 38.519 -1.289 1 1 690 . 13 1 1 A 58 58 VAL H H 58 9.157 8.272 0.885 1 1 691 . 13 1 1 A 58 58 VAL HA H 58 4.251 3.889 0.362 1 1 699 . 13 1 1 A 58 58 VAL C C 58 175.812 174.908 0.904 1 1 700 . 13 1 1 A 58 58 VAL CA C 58 62.360 64.334 -1.974 1 1 701 . 13 1 1 A 58 58 VAL CB C 58 33.123 32.411 0.712 1 1 704 . 13 1 1 A 58 58 VAL N N 58 116.888 121.472 -4.584 1 1 705 . 13 1 1 A 59 59 ASP H H 59 7.990 7.629 0.361 1 1 706 . 13 1 1 A 59 59 ASP HA H 59 4.970 5.233 -0.263 1 1 709 . 13 1 1 A 59 59 ASP C C 59 172.346 173.895 -1.549 1 1 710 . 13 1 1 A 59 59 ASP CA C 59 52.601 53.233 -0.632 1 1 711 . 13 1 1 A 59 59 ASP CB C 59 42.952 44.762 -1.810 1 1 712 . 13 1 1 A 59 59 ASP N N 59 117.301 119.148 -1.847 1 1 713 . 13 1 1 A 60 60 LYS H H 60 8.991 8.745 0.246 1 1 714 . 13 1 1 A 60 60 LYS HA H 60 4.761 4.289 0.472 1 1 723 . 13 1 1 A 60 60 LYS C C 60 173.666 174.565 -0.899 1 1 724 . 13 1 1 A 60 60 LYS CA C 60 54.718 53.474 1.244 1 1 725 . 13 1 1 A 60 60 LYS CB C 60 35.097 35.883 -0.786 1 1 729 . 13 1 1 A 60 60 LYS N N 60 118.648 118.694 -0.046 1 1 730 . 13 1 1 A 61 61 LEU H H 61 8.702 8.896 -0.194 1 1 731 . 13 1 1 A 61 61 LEU HA H 61 4.462 4.929 -0.467 1 1 741 . 13 1 1 A 61 61 LEU C C 61 173.630 175.103 -1.473 1 1 742 . 13 1 1 A 61 61 LEU CA C 61 54.065 53.264 0.801 1 1 743 . 13 1 1 A 61 61 LEU CB C 61 47.032 46.620 0.412 1 1 747 . 13 1 1 A 61 61 LEU N N 61 121.890 120.660 1.230 1 1 748 . 13 1 1 A 62 62 ASP H H 62 8.868 8.569 0.299 1 1 749 . 13 1 1 A 62 62 ASP HA H 62 4.841 5.136 -0.295 1 1 752 . 13 1 1 A 62 62 ASP C C 62 178.029 174.856 3.173 1 1 753 . 13 1 1 A 62 62 ASP CA C 62 53.819 52.621 1.198 1 1 754 . 13 1 1 A 62 62 ASP CB C 62 40.772 44.054 -3.282 1 1 755 . 13 1 1 A 62 62 ASP N N 62 128.697 120.161 8.536 1 1 756 . 13 1 1 A 63 63 ILE H H 63 9.261 7.973 1.288 1 1 757 . 13 1 1 A 63 63 ILE HA H 63 4.554 4.590 -0.036 1 1 767 . 13 1 1 A 63 63 ILE C C 63 175.617 176.677 -1.060 1 1 768 . 13 1 1 A 63 63 ILE CA C 63 60.736 60.368 0.368 1 1 769 . 13 1 1 A 63 63 ILE CB C 63 38.364 38.028 0.336 1 1 773 . 13 1 1 A 63 63 ILE N N 63 120.253 120.872 -0.619 1 1 774 . 13 1 1 A 64 64 VAL H H 64 8.010 8.302 -0.292 1 1 775 . 13 1 1 A 64 64 VAL HA H 64 3.781 3.938 -0.157 1 1 783 . 13 1 1 A 64 64 VAL C C 64 174.878 176.163 -1.285 1 1 784 . 13 1 1 A 64 64 VAL CA C 64 65.572 64.913 0.659 1 1 785 . 13 1 1 A 64 64 VAL CB C 64 30.532 31.354 -0.822 1 1 788 . 13 1 1 A 64 64 VAL N N 64 122.413 123.100 -0.687 1 1 789 . 13 1 1 A 65 65 ASP H H 65 8.391 7.679 0.712 1 1 790 . 13 1 1 A 65 65 ASP HA H 65 4.841 4.710 0.131 1 1 793 . 13 1 1 A 65 65 ASP C C 65 174.854 175.716 -0.862 1 1 794 . 13 1 1 A 65 65 ASP CA C 65 53.483 53.573 -0.090 1 1 795 . 13 1 1 A 65 65 ASP CB C 65 40.114 41.592 -1.478 1 1 796 . 13 1 1 A 65 65 ASP N N 65 119.308 120.291 -0.983 1 1 797 . 13 1 1 A 66 66 LEU H H 66 7.517 7.667 -0.150 1 1 798 . 13 1 1 A 66 66 LEU HA H 66 3.962 4.167 -0.205 1 1 808 . 13 1 1 A 66 66 LEU C C 66 176.708 177.495 -0.787 1 1 809 . 13 1 1 A 66 66 LEU CA C 66 57.471 56.454 1.017 1 1 810 . 13 1 1 A 66 66 LEU CB C 66 43.322 42.620 0.702 1 1 814 . 13 1 1 A 66 66 LEU N N 66 120.009 122.979 -2.970 1 1 815 . 13 1 1 A 67 67 THR H H 67 9.329 10.055 -0.726 1 1 816 . 13 1 1 A 67 67 THR HA H 67 4.363 4.377 -0.014 1 1 821 . 13 1 1 A 67 67 THR C C 67 175.145 174.102 1.043 1 1 822 . 13 1 1 A 67 67 THR CA C 67 64.019 63.492 0.527 1 1 823 . 13 1 1 A 67 67 THR CB C 67 69.107 69.098 0.009 1 1 825 . 13 1 1 A 67 67 THR N N 67 123.534 120.953 2.581 1 1 826 . 13 1 1 A 68 68 CYS H H 68 7.584 7.485 0.099 1 1 827 . 13 1 1 A 68 68 CYS HA H 68 4.604 4.722 -0.118 1 1 830 . 13 1 1 A 68 68 CYS C C 68 170.528 172.280 -1.752 1 1 831 . 13 1 1 A 68 68 CYS CA C 68 57.402 58.654 -1.252 1 1 832 . 13 1 1 A 68 68 CYS CB C 68 29.175 31.146 -1.971 1 1 833 . 13 1 1 A 68 68 CYS N N 68 115.015 116.066 -1.051 1 1 834 . 13 1 1 A 69 69 LEU H H 69 8.730 8.654 0.076 1 1 835 . 13 1 1 A 69 69 LEU HA H 69 5.411 4.989 0.422 1 1 845 . 13 1 1 A 69 69 LEU C C 69 176.356 175.722 0.634 1 1 846 . 13 1 1 A 69 69 LEU CA C 69 54.242 54.124 0.118 1 1 847 . 13 1 1 A 69 69 LEU CB C 69 44.885 45.515 -0.630 1 1 851 . 13 1 1 A 69 69 LEU N N 69 125.633 122.783 2.850 1 1 852 . 13 1 1 A 70 70 THR H H 70 9.197 8.466 0.731 1 1 853 . 13 1 1 A 70 70 THR HA H 70 4.702 5.119 -0.417 1 1 858 . 13 1 1 A 70 70 THR C C 70 173.582 173.765 -0.183 1 1 859 . 13 1 1 A 70 70 THR CA C 70 60.384 60.006 0.378 1 1 860 . 13 1 1 A 70 70 THR CB C 70 70.870 71.481 -0.611 1 1 862 . 13 1 1 A 70 70 THR N N 70 120.391 118.438 1.953 1 1 863 . 13 1 1 A 71 71 GLU H H 71 8.965 8.811 0.154 1 1 864 . 13 1 1 A 71 71 GLU HA H 71 4.685 5.219 -0.534 1 1 869 . 13 1 1 A 71 71 GLU C C 71 175.957 175.438 0.519 1 1 870 . 13 1 1 A 71 71 GLU CA C 71 56.254 54.685 1.569 1 1 871 . 13 1 1 A 71 71 GLU CB C 71 31.396 32.387 -0.991 1 1 873 . 13 1 1 A 71 71 GLU N N 71 124.718 119.872 4.846 1 1 874 . 13 1 1 A 72 72 GLN H H 72 8.318 9.168 -0.850 1 1 875 . 13 1 1 A 72 72 GLN HA H 72 4.629 4.918 -0.289 1 1 882 . 13 1 1 A 72 72 GLN C C 72 175.254 175.132 0.122 1 1 883 . 13 1 1 A 72 72 GLN CA C 72 55.336 55.278 0.058 1 1 884 . 13 1 1 A 72 72 GLN CB C 72 30.533 29.621 0.912 1 1 886 . 13 1 1 A 72 72 GLN N N 72 123.543 124.080 -0.537 1 1 888 . 13 1 1 A 73 73 ASN H H 73 8.670 8.653 0.017 1 1 889 . 13 1 1 A 73 73 ASN HA H 73 4.688 5.189 -0.501 1 1 894 . 13 1 1 A 73 73 ASN C C 73 175.229 173.094 2.135 1 1 895 . 13 1 1 A 73 73 ASN CA C 73 53.607 53.308 0.299 1 1 896 . 13 1 1 A 73 73 ASN CB C 73 39.169 42.852 -3.683 1 1 897 . 13 1 1 A 73 73 ASN N N 73 120.534 122.575 -2.041 1 1 899 . 13 1 1 A 74 74 SER H H 74 8.641 8.850 -0.209 1 1 900 . 13 1 1 A 74 74 SER HA H 74 4.652 4.770 -0.118 1 1 903 . 13 1 1 A 74 74 SER C C 74 175.121 173.297 1.824 1 1 904 . 13 1 1 A 74 74 SER CA C 74 58.409 56.681 1.728 1 1 905 . 13 1 1 A 74 74 SER CB C 74 64.401 63.951 0.450 1 1 906 . 13 1 1 A 74 74 SER N N 74 117.448 118.915 -1.467 1 1 907 . 13 1 1 A 75 75 THR HA H 75 4.282 3.992 0.290 1 1 912 . 13 1 1 A 75 75 THR C C 75 174.878 173.481 1.397 1 1 913 . 13 1 1 A 75 75 THR CA C 75 62.819 62.411 0.408 1 1 914 . 13 1 1 A 75 75 THR CB C 75 69.061 66.767 2.294 1 1 916 . 13 1 1 A 76 76 GLU H H 76 8.156 7.744 0.412 1 1 917 . 13 1 1 A 76 76 GLU HA H 76 4.350 4.620 -0.270 1 1 922 . 13 1 1 A 76 76 GLU C C 76 176.138 176.351 -0.213 1 1 923 . 13 1 1 A 76 76 GLU CA C 76 56.202 55.364 0.838 1 1 924 . 13 1 1 A 76 76 GLU CB C 76 30.532 29.732 0.800 1 1 926 . 13 1 1 A 76 76 GLU N N 76 122.220 116.861 5.359 1 1 927 . 13 1 1 A 77 77 LYS H H 77 8.443 7.624 0.819 1 1 928 . 13 1 1 A 77 77 LYS HA H 77 4.221 4.195 0.026 1 1 937 . 13 1 1 A 77 77 LYS C C 77 176.465 175.541 0.924 1 1 938 . 13 1 1 A 77 77 LYS CA C 77 56.730 56.784 -0.054 1 1 939 . 13 1 1 A 77 77 LYS CB C 77 32.301 32.912 -0.611 1 1 943 . 13 1 1 A 77 77 LYS N N 77 122.162 118.232 3.930 1 1 944 . 13 1 1 A 78 78 ASN H H 78 8.621 8.908 -0.287 1 1 945 . 13 1 1 A 78 78 ASN HA H 78 4.641 4.900 -0.259 1 1 950 . 13 1 1 A 78 78 ASN C C 78 173.485 174.505 -1.020 1 1 951 . 13 1 1 A 78 78 ASN CA C 78 53.748 54.612 -0.864 1 1 952 . 13 1 1 A 78 78 ASN CB C 78 38.058 41.200 -3.142 1 1 953 . 13 1 1 A 78 78 ASN N N 78 116.583 119.423 -2.840 1 1 955 . 13 1 1 A 79 79 CYS H H 79 7.551 7.657 -0.106 1 1 956 . 13 1 1 A 79 79 CYS HA H 79 4.371 4.941 -0.570 1 1 959 . 13 1 1 A 79 79 CYS C C 79 172.515 172.371 0.144 1 1 960 . 13 1 1 A 79 79 CYS CA C 79 57.295 57.466 -0.171 1 1 961 . 13 1 1 A 79 79 CYS CB C 79 29.628 30.244 -0.616 1 1 962 . 13 1 1 A 79 79 CYS N N 79 112.640 114.199 -1.559 1 1 963 . 13 1 1 A 80 80 ALA H H 80 7.642 8.255 -0.613 1 1 964 . 13 1 1 A 80 80 ALA HA H 80 4.727 4.746 -0.019 1 1 968 . 13 1 1 A 80 80 ALA C C 80 175.314 176.625 -1.311 1 1 969 . 13 1 1 A 80 80 ALA CA C 80 51.330 51.411 -0.081 1 1 970 . 13 1 1 A 80 80 ALA CB C 80 21.896 19.826 2.070 1 1 971 . 13 1 1 A 80 80 ALA N N 80 124.099 123.696 0.403 1 1 972 . 13 1 1 A 81 81 LYS H H 81 8.459 8.689 -0.230 1 1 973 . 13 1 1 A 81 81 LYS HA H 81 5.112 4.786 0.326 1 1 982 . 13 1 1 A 81 81 LYS C C 81 174.781 175.108 -0.327 1 1 983 . 13 1 1 A 81 81 LYS CA C 81 55.283 54.442 0.841 1 1 984 . 13 1 1 A 81 81 LYS CB C 81 36.133 34.928 1.205 1 1 988 . 13 1 1 A 81 81 LYS N N 81 119.796 123.315 -3.519 1 1 989 . 13 1 1 A 82 82 PHE H H 82 8.748 7.706 1.042 1 1 990 . 13 1 1 A 82 82 PHE HA H 82 5.513 5.564 -0.051 1 1 998 . 13 1 1 A 82 82 PHE C C 82 174.357 172.493 1.864 1 1 999 . 13 1 1 A 82 82 PHE CA C 82 55.643 56.223 -0.580 1 1 1000 . 13 1 1 A 82 82 PHE CB C 82 42.089 42.282 -0.193 1 1 1006 . 13 1 1 A 82 82 PHE N N 82 119.073 119.992 -0.919 1 1 1007 . 13 1 1 A 83 83 THR H H 83 9.290 8.481 0.809 1 1 1008 . 13 1 1 A 83 83 THR HA H 83 5.032 4.964 0.068 1 1 1013 . 13 1 1 A 83 83 THR C C 83 173.472 174.158 -0.686 1 1 1014 . 13 1 1 A 83 83 THR CA C 83 62.113 61.523 0.590 1 1 1015 . 13 1 1 A 83 83 THR CB C 83 71.076 70.630 0.446 1 1 1017 . 13 1 1 A 83 83 THR N N 83 116.845 116.008 0.837 1 1 1018 . 13 1 1 A 84 84 LEU H H 84 9.502 9.875 -0.373 1 1 1019 . 13 1 1 A 84 84 LEU HA H 84 4.691 4.628 0.063 1 1 1029 . 13 1 1 A 84 84 LEU C C 84 174.308 176.326 -2.018 1 1 1030 . 13 1 1 A 84 84 LEU CA C 84 54.224 54.465 -0.241 1 1 1031 . 13 1 1 A 84 84 LEU CB C 84 41.636 41.189 0.447 1 1 1035 . 13 1 1 A 84 84 LEU N N 84 125.923 128.423 -2.500 1 1 1036 . 13 1 1 A 85 85 VAL H H 85 8.620 8.288 0.332 1 1 1037 . 13 1 1 A 85 85 VAL HA H 85 4.151 4.252 -0.101 1 1 1045 . 13 1 1 A 85 85 VAL C C 85 174.188 175.545 -1.357 1 1 1046 . 13 1 1 A 85 85 VAL CA C 85 63.649 62.885 0.764 1 1 1047 . 13 1 1 A 85 85 VAL CB C 85 30.861 31.506 -0.645 1 1 1050 . 13 1 1 A 85 85 VAL N N 85 126.007 125.312 0.695 1 1 1051 . 13 1 1 A 86 86 LEU H H 86 8.534 8.469 0.065 1 1 1052 . 13 1 1 A 86 86 LEU HA H 86 4.853 4.799 0.054 1 1 1062 . 13 1 1 A 86 86 LEU C C 86 174.878 176.646 -1.768 1 1 1063 . 13 1 1 A 86 86 LEU CA C 86 53.183 51.691 1.492 1 1 1064 . 13 1 1 A 86 86 LEU CB C 86 40.485 44.860 -4.375 1 1 1068 . 13 1 1 A 86 86 LEU N N 86 129.551 128.383 1.168 1 1 1069 . 13 1 1 A 87 87 PRO HA H 87 4.221 4.541 -0.320 1 1 1076 . 13 1 1 A 87 87 PRO C C 87 178.223 177.079 1.144 1 1 1077 . 13 1 1 A 87 87 PRO CA C 87 66.455 64.168 2.287 1 1 1078 . 13 1 1 A 87 87 PRO CB C 87 32.260 31.695 0.565 1 1 1081 . 13 1 1 A 88 88 LYS H H 88 8.414 8.221 0.193 1 1 1082 . 13 1 1 A 88 88 LYS HA H 88 4.548 4.389 0.159 1 1 1091 . 13 1 1 A 88 88 LYS C C 88 176.187 176.518 -0.331 1 1 1092 . 13 1 1 A 88 88 LYS CA C 88 55.071 57.037 -1.966 1 1 1093 . 13 1 1 A 88 88 LYS CB C 88 33.534 34.133 -0.599 1 1 1097 . 13 1 1 A 88 88 LYS N N 88 110.404 116.713 -6.309 1 1 1098 . 13 1 1 A 89 89 GLU H H 89 7.208 7.765 -0.557 1 1 1099 . 13 1 1 A 89 89 GLU HA H 89 4.561 4.705 -0.144 1 1 1104 . 13 1 1 A 89 89 GLU C C 89 172.527 174.008 -1.481 1 1 1105 . 13 1 1 A 89 89 GLU CA C 89 56.007 55.719 0.288 1 1 1106 . 13 1 1 A 89 89 GLU CB C 89 33.082 33.522 -0.440 1 1 1108 . 13 1 1 A 89 89 GLU N N 89 116.828 115.334 1.494 1 1 1109 . 13 1 1 A 90 90 GLU H H 90 8.321 8.650 -0.329 1 1 1110 . 13 1 1 A 90 90 GLU HA H 90 5.249 5.175 0.074 1 1 1115 . 13 1 1 A 90 90 GLU C C 90 176.296 175.826 0.470 1 1 1116 . 13 1 1 A 90 90 GLU CA C 90 54.860 55.755 -0.895 1 1 1117 . 13 1 1 A 90 90 GLU CB C 90 31.972 31.121 0.851 1 1 1119 . 13 1 1 A 90 90 GLU N N 90 119.609 124.337 -4.728 1 1 1120 . 13 1 1 A 91 91 VAL H H 91 8.972 8.812 0.160 1 1 1121 . 13 1 1 A 91 91 VAL HA H 91 4.352 4.721 -0.369 1 1 1129 . 13 1 1 A 91 91 VAL C C 91 174.284 174.858 -0.574 1 1 1130 . 13 1 1 A 91 91 VAL CA C 91 61.284 60.895 0.389 1 1 1131 . 13 1 1 A 91 91 VAL CB C 91 34.891 34.657 0.234 1 1 1134 . 13 1 1 A 91 91 VAL N N 91 123.947 124.216 -0.269 1 1 1135 . 13 1 1 A 92 92 GLN H H 92 8.241 8.483 -0.242 1 1 1136 . 13 1 1 A 92 92 GLN HA H 92 4.930 5.029 -0.099 1 1 1143 . 13 1 1 A 92 92 GLN C C 92 174.115 175.224 -1.109 1 1 1144 . 13 1 1 A 92 92 GLN CA C 92 55.583 55.260 0.323 1 1 1145 . 13 1 1 A 92 92 GLN CB C 92 30.121 31.073 -0.952 1 1 1147 . 13 1 1 A 92 92 GLN N N 92 125.869 126.398 -0.529 1 1 1149 . 13 1 1 A 93 93 LEU H H 93 9.145 8.276 0.869 1 1 1150 . 13 1 1 A 93 93 LEU HA H 93 5.456 5.153 0.303 1 1 1160 . 13 1 1 A 93 93 LEU C C 93 176.256 175.098 1.158 1 1 1161 . 13 1 1 A 93 93 LEU CA C 93 53.801 53.517 0.284 1 1 1162 . 13 1 1 A 93 93 LEU CB C 93 45.913 46.288 -0.375 1 1 1166 . 13 1 1 A 93 93 LEU N N 93 123.952 121.402 2.550 1 1 1167 . 13 1 1 A 94 94 LYS H H 94 9.255 8.658 0.597 1 1 1168 . 13 1 1 A 94 94 LYS HA H 94 5.452 4.942 0.510 1 1 1177 . 13 1 1 A 94 94 LYS C C 94 174.563 174.697 -0.134 1 1 1178 . 13 1 1 A 94 94 LYS CA C 94 54.718 54.568 0.150 1 1 1179 . 13 1 1 A 94 94 LYS CB C 94 36.571 35.748 0.823 1 1 1183 . 13 1 1 A 94 94 LYS N N 94 124.618 123.633 0.985 1 1 1184 . 13 1 1 A 95 95 THR H H 95 8.582 8.455 0.127 1 1 1185 . 13 1 1 A 95 95 THR HA H 95 4.946 4.879 0.067 1 1 1190 . 13 1 1 A 95 95 THR C C 95 175.278 175.276 0.002 1 1 1191 . 13 1 1 A 95 95 THR CA C 95 59.908 59.133 0.775 1 1 1192 . 13 1 1 A 95 95 THR CB C 95 70.917 71.683 -0.766 1 1 1194 . 13 1 1 A 95 95 THR N N 95 112.788 116.337 -3.549 1 1 1195 . 13 1 1 A 96 96 GLU H H 96 9.033 8.690 0.343 1 1 1196 . 13 1 1 A 96 96 GLU HA H 96 4.321 4.355 -0.034 1 1 1201 . 13 1 1 A 96 96 GLU C C 96 175.435 176.914 -1.479 1 1 1202 . 13 1 1 A 96 96 GLU CA C 96 57.595 58.466 -0.871 1 1 1203 . 13 1 1 A 96 96 GLU CB C 96 30.656 30.480 0.176 1 1 1205 . 13 1 1 A 96 96 GLU N N 96 117.745 121.082 -3.337 1 1 1206 . 13 1 1 A 97 97 ASN H H 97 7.562 8.104 -0.542 1 1 1207 . 13 1 1 A 97 97 ASN HA H 97 5.074 4.922 0.152 1 1 1212 . 13 1 1 A 97 97 ASN C C 97 176.575 176.161 0.414 1 1 1213 . 13 1 1 A 97 97 ASN CA C 97 52.195 52.795 -0.600 1 1 1214 . 13 1 1 A 97 97 ASN CB C 97 40.485 39.706 0.779 1 1 1215 . 13 1 1 A 97 97 ASN N N 97 110.462 117.670 -7.208 1 1 1217 . 13 1 1 A 98 98 THR HA H 98 3.916 3.921 -0.005 1 1 1222 . 13 1 1 A 98 98 THR C C 98 176.938 176.182 0.756 1 1 1223 . 13 1 1 A 98 98 THR CA C 98 66.349 66.354 -0.005 1 1 1224 . 13 1 1 A 98 98 THR CB C 98 68.638 68.737 -0.099 1 1 1226 . 13 1 1 A 99 99 GLU H H 99 9.316 8.442 0.874 1 1 1227 . 13 1 1 A 99 99 GLU HA H 99 4.221 4.067 0.154 1 1 1232 . 13 1 1 A 99 99 GLU C C 99 179.241 178.265 0.976 1 1 1233 . 13 1 1 A 99 99 GLU CA C 99 60.754 59.318 1.436 1 1 1234 . 13 1 1 A 99 99 GLU CB C 99 28.764 29.219 -0.455 1 1 1236 . 13 1 1 A 99 99 GLU N N 99 125.868 121.729 4.139 1 1 1237 . 13 1 1 A 100 100 SER H H 100 8.739 8.300 0.439 1 1 1238 . 13 1 1 A 100 100 SER HA H 100 4.863 4.346 0.517 1 1 1241 . 13 1 1 A 100 100 SER C C 100 177.411 177.679 -0.268 1 1 1242 . 13 1 1 A 100 100 SER CA C 100 61.037 61.901 -0.864 1 1 1243 . 13 1 1 A 100 100 SER CB C 100 63.879 63.038 0.841 1 1 1244 . 13 1 1 A 100 100 SER N N 100 114.755 114.219 0.536 1 1 1245 . 13 1 1 A 101 101 GLY H H 101 7.879 8.249 -0.370 1 1 1246 . 13 1 1 A 101 101 GLY HA2 H 101 4.139 3.875 0.264 1 1 1247 . 13 1 1 A 101 101 GLY HA3 H 101 4.012 3.990 0.022 1 1 1248 . 13 1 1 A 101 101 GLY C C 101 174.611 176.250 -1.639 1 1 1249 . 13 1 1 A 101 101 GLY CA C 101 48.948 47.557 1.391 1 1 1250 . 13 1 1 A 101 101 GLY N N 101 108.940 109.739 -0.799 1 1 1251 . 13 1 1 A 102 102 GLU H H 102 7.801 7.809 -0.008 1 1 1252 . 13 1 1 A 102 102 GLU HA H 102 4.171 4.058 0.113 1 1 1257 . 13 1 1 A 102 102 GLU C C 102 179.084 178.700 0.384 1 1 1258 . 13 1 1 A 102 102 GLU CA C 102 58.601 59.489 -0.888 1 1 1259 . 13 1 1 A 102 102 GLU CB C 102 29.627 29.449 0.178 1 1 1261 . 13 1 1 A 102 102 GLU N N 102 120.720 121.557 -0.837 1 1 1262 . 13 1 1 A 103 103 GLU H H 103 7.781 8.077 -0.296 1 1 1263 . 13 1 1 A 103 103 GLU HA H 103 3.739 3.770 -0.031 1 1 1268 . 13 1 1 A 103 103 GLU C C 103 178.235 179.107 -0.872 1 1 1269 . 13 1 1 A 103 103 GLU CA C 103 60.366 59.172 1.194 1 1 1270 . 13 1 1 A 103 103 GLU CB C 103 30.491 29.116 1.375 1 1 1272 . 13 1 1 A 103 103 GLU N N 103 119.068 119.026 0.042 1 1 1273 . 13 1 1 A 104 104 TRP H H 104 8.761 8.399 0.362 1 1 1274 . 13 1 1 A 104 104 TRP HA H 104 4.171 4.632 -0.461 1 1 1283 . 13 1 1 A 104 104 TRP C C 104 178.817 179.000 -0.183 1 1 1284 . 13 1 1 A 104 104 TRP CA C 104 62.290 60.617 1.673 1 1 1285 . 13 1 1 A 104 104 TRP CB C 104 29.340 29.799 -0.459 1 1 1291 . 13 1 1 A 104 104 TRP N N 104 118.358 120.644 -2.286 1 1 1293 . 13 1 1 A 105 105 ARG H H 105 8.400 8.867 -0.467 1 1 1294 . 13 1 1 A 105 105 ARG HA H 105 3.481 3.812 -0.331 1 1 1302 . 13 1 1 A 105 105 ARG C C 105 177.666 179.635 -1.969 1 1 1303 . 13 1 1 A 105 105 ARG CA C 105 60.666 59.244 1.422 1 1 1304 . 13 1 1 A 105 105 ARG CB C 105 30.162 30.115 0.047 1 1 1307 . 13 1 1 A 105 105 ARG N N 105 117.098 118.768 -1.670 1 1 1309 . 13 1 1 A 106 106 GLY H H 106 8.202 8.934 -0.732 1 1 1310 . 13 1 1 A 106 106 GLY HA2 H 106 3.470 3.601 -0.131 1 1 1311 . 13 1 1 A 106 106 GLY HA3 H 106 3.382 3.664 -0.282 1 1 1312 . 13 1 1 A 106 106 GLY C C 106 176.162 176.176 -0.014 1 1 1313 . 13 1 1 A 106 106 GLY CA C 106 47.554 47.283 0.271 1 1 1314 . 13 1 1 A 106 106 GLY N N 106 104.212 108.399 -4.187 1 1 1315 . 13 1 1 A 107 107 PHE H H 107 8.491 8.781 -0.290 1 1 1316 . 13 1 1 A 107 107 PHE HA H 107 3.722 4.403 -0.681 1 1 1324 . 13 1 1 A 107 107 PHE C C 107 177.265 178.049 -0.784 1 1 1325 . 13 1 1 A 107 107 PHE CA C 107 64.284 59.742 4.542 1 1 1326 . 13 1 1 A 107 107 PHE CB C 107 39.209 38.550 0.659 1 1 1332 . 13 1 1 A 107 107 PHE N N 107 122.710 120.557 2.153 1 1 1333 . 13 1 1 A 108 108 ILE H H 108 8.674 9.741 -1.067 1 1 1334 . 13 1 1 A 108 108 ILE HA H 108 3.523 3.712 -0.189 1 1 1344 . 13 1 1 A 108 108 ILE C C 108 178.623 178.049 0.574 1 1 1345 . 13 1 1 A 108 108 ILE CA C 108 66.384 65.057 1.327 1 1 1346 . 13 1 1 A 108 108 ILE CB C 108 37.852 37.963 -0.111 1 1 1350 . 13 1 1 A 108 108 ILE N N 108 117.395 119.833 -2.438 1 1 1351 . 13 1 1 A 109 109 LEU H H 109 8.378 8.663 -0.285 1 1 1352 . 13 1 1 A 109 109 LEU HA H 109 4.032 4.320 -0.288 1 1 1362 . 13 1 1 A 109 109 LEU C C 109 178.635 179.637 -1.002 1 1 1363 . 13 1 1 A 109 109 LEU CA C 109 57.878 57.661 0.217 1 1 1364 . 13 1 1 A 109 109 LEU CB C 109 40.854 41.575 -0.721 1 1 1368 . 13 1 1 A 109 109 LEU N N 109 118.573 119.235 -0.662 1 1 1369 . 13 1 1 A 110 110 THR H H 110 7.600 7.711 -0.111 1 1 1370 . 13 1 1 A 110 110 THR HA H 110 4.110 4.552 -0.442 1 1 1375 . 13 1 1 A 110 110 THR C C 110 177.265 176.009 1.256 1 1 1376 . 13 1 1 A 110 110 THR CA C 110 68.325 65.941 2.384 1 1 1377 . 13 1 1 A 110 110 THR CB C 110 68.230 69.128 -0.898 1 1 1379 . 13 1 1 A 110 110 THR N N 110 115.926 115.062 0.864 1 1 1380 . 13 1 1 A 111 111 VAL H H 111 7.490 7.871 -0.381 1 1 1381 . 13 1 1 A 111 111 VAL HA H 111 3.912 4.317 -0.405 1 1 1389 . 13 1 1 A 111 111 VAL C C 111 174.793 176.685 -1.892 1 1 1390 . 13 1 1 A 111 111 VAL CA C 111 64.601 61.184 3.417 1 1 1391 . 13 1 1 A 111 111 VAL CB C 111 32.007 31.629 0.378 1 1 1394 . 13 1 1 A 111 111 VAL N N 111 109.123 115.776 -6.653 1 1 1395 . 13 1 1 A 112 112 THR H H 112 7.410 7.639 -0.229 1 1 1396 . 13 1 1 A 112 112 THR HA H 112 4.494 4.594 -0.100 1 1 1401 . 13 1 1 A 112 112 THR C C 112 177.265 175.519 1.746 1 1 1402 . 13 1 1 A 112 112 THR CA C 112 62.784 62.132 0.652 1 1 1403 . 13 1 1 A 112 112 THR CB C 112 69.290 70.344 -1.054 1 1 1405 . 13 1 1 A 112 112 THR N N 112 107.046 112.152 -5.106 1 1 1406 . 13 1 1 A 113 113 GLU H H 113 8.541 8.329 0.212 1 1 1407 . 13 1 1 A 113 113 GLU HA H 113 4.280 4.318 -0.038 1 1 1412 . 13 1 1 A 113 113 GLU C C 113 176.745 175.845 0.900 1 1 1413 . 13 1 1 A 113 113 GLU CA C 113 57.048 56.410 0.638 1 1 1414 . 13 1 1 A 113 113 GLU CB C 113 29.422 30.378 -0.956 1 1 1416 . 13 1 1 A 113 113 GLU N N 113 120.888 120.411 0.477 1 1 1417 . 13 1 1 A 114 114 LEU H H 114 7.561 7.515 0.046 1 1 1418 . 13 1 1 A 114 114 LEU HA H 114 4.042 3.862 0.180 1 1 1428 . 13 1 1 A 114 114 LEU C C 114 175.569 175.612 -0.043 1 1 1429 . 13 1 1 A 114 114 LEU CA C 114 55.213 56.303 -1.090 1 1 1430 . 13 1 1 A 114 114 LEU CB C 114 38.182 40.215 -2.033 1 1 1434 . 13 1 1 A 114 114 LEU N N 114 114.453 118.894 -4.441 1 1 1435 . 13 1 1 A 115 115 SER H H 115 7.113 7.645 -0.532 1 1 1436 . 13 1 1 A 115 115 SER HA H 115 4.315 4.693 -0.378 1 1 1439 . 13 1 1 A 115 115 SER C C 115 173.521 172.245 1.276 1 1 1440 . 13 1 1 A 115 115 SER CA C 115 57.454 55.731 1.723 1 1 1441 . 13 1 1 A 115 115 SER CB C 115 64.505 65.034 -0.529 1 1 1442 . 13 1 1 A 115 115 SER N N 115 110.010 113.286 -3.276 1 1 1443 . 13 1 1 A 116 116 VAL H H 116 8.635 8.437 0.198 1 1 1444 . 13 1 1 A 116 116 VAL HA H 116 4.210 4.433 -0.223 1 1 1452 . 13 1 1 A 116 116 VAL C C 116 175.024 173.968 1.056 1 1 1453 . 13 1 1 A 116 116 VAL CA C 116 60.948 58.884 2.064 1 1 1454 . 13 1 1 A 116 116 VAL CB C 116 32.177 35.006 -2.829 1 1 1457 . 13 1 1 A 116 116 VAL N N 116 129.442 120.709 8.733 1 1 1458 . 13 1 1 A 117 117 PRO HA H 117 4.381 4.748 -0.367 1 1 1465 . 13 1 1 A 117 117 PRO C C 117 176.478 177.382 -0.904 1 1 1466 . 13 1 1 A 117 117 PRO CA C 117 62.678 62.353 0.325 1 1 1467 . 13 1 1 A 117 117 PRO CB C 117 31.931 31.699 0.232 1 1 1470 . 13 1 1 A 118 118 GLN H H 118 8.576 8.815 -0.239 1 1 1471 . 13 1 1 A 118 118 GLN HA H 118 4.282 4.411 -0.129 1 1 1478 . 13 1 1 A 118 118 GLN C C 118 176.575 176.225 0.350 1 1 1479 . 13 1 1 A 118 118 GLN CA C 118 55.866 56.062 -0.196 1 1 1480 . 13 1 1 A 118 118 GLN CB C 118 29.704 28.897 0.807 1 1 1482 . 13 1 1 A 118 118 GLN N N 118 118.498 121.626 -3.128 1 1 1484 . 13 1 1 A 119 119 ASN H H 119 8.444 7.807 0.637 1 1 1485 . 13 1 1 A 119 119 ASN HA H 119 4.727 4.916 -0.189 1 1 1490 . 13 1 1 A 119 119 ASN C C 119 174.842 174.087 0.755 1 1 1491 . 13 1 1 A 119 119 ASN CA C 119 52.812 52.657 0.155 1 1 1492 . 13 1 1 A 119 119 ASN CB C 119 37.071 38.818 -1.747 1 1 1493 . 13 1 1 A 119 119 ASN N N 119 117.223 118.008 -0.785 1 1 1495 . 13 1 1 A 120 120 VAL H H 120 7.182 7.629 -0.447 1 1 1496 . 13 1 1 A 120 120 VAL HA H 120 4.381 4.987 -0.606 1 1 1504 . 13 1 1 A 120 120 VAL C C 120 175.484 175.631 -0.147 1 1 1505 . 13 1 1 A 120 120 VAL CA C 120 60.048 59.338 0.710 1 1 1506 . 13 1 1 A 120 120 VAL CB C 120 34.028 34.913 -0.885 1 1 1509 . 13 1 1 A 120 120 VAL N N 120 114.038 116.821 -2.783 1 1 1510 . 13 1 1 A 121 121 SER H H 121 9.313 8.572 0.741 1 1 1511 . 13 1 1 A 121 121 SER HA H 121 4.552 4.462 0.090 1 1 1514 . 13 1 1 A 121 121 SER C C 121 173.096 173.946 -0.850 1 1 1515 . 13 1 1 A 121 121 SER CA C 121 57.119 58.604 -1.485 1 1 1516 . 13 1 1 A 121 121 SER CB C 121 62.528 63.758 -1.230 1 1 1517 . 13 1 1 A 121 121 SER N N 121 122.117 116.610 5.507 1 1 1518 . 13 1 1 A 122 122 LEU H H 122 7.470 7.429 0.041 1 1 1519 . 13 1 1 A 122 122 LEU HA H 122 4.618 4.078 0.540 1 1 1529 . 13 1 1 A 122 122 LEU C C 122 176.526 177.502 -0.976 1 1 1530 . 13 1 1 A 122 122 LEU CA C 122 52.795 55.322 -2.527 1 1 1531 . 13 1 1 A 122 122 LEU CB C 122 45.790 43.149 2.641 1 1 1535 . 13 1 1 A 122 122 LEU N N 122 122.878 123.226 -0.348 1 1 1536 . 13 1 1 A 123 123 LEU H H 123 8.765 8.412 0.353 1 1 1537 . 13 1 1 A 123 123 LEU HA H 123 4.574 4.357 0.217 1 1 1547 . 13 1 1 A 123 123 LEU C C 123 176.769 176.793 -0.024 1 1 1548 . 13 1 1 A 123 123 LEU CA C 123 53.748 53.313 0.435 1 1 1549 . 13 1 1 A 123 123 LEU CB C 123 40.649 41.497 -0.848 1 1 1553 . 13 1 1 A 123 123 LEU N N 123 122.054 123.488 -1.434 1 1 1554 . 13 1 1 A 124 124 PRO HA H 124 4.232 4.486 -0.254 1 1 1561 . 13 1 1 A 124 124 PRO CA C 124 66.281 64.030 2.251 1 1 1562 . 13 1 1 A 124 124 PRO CB C 124 31.945 31.758 0.187 1 1 1565 . 13 1 1 A 125 125 GLY HA2 H 125 3.901 3.896 0.005 1 1 1566 . 13 1 1 A 125 125 GLY HA3 H 125 3.901 3.896 0.005 1 1 1567 . 13 1 1 A 125 125 GLY C C 125 176.696 176.048 0.648 1 1 1568 . 13 1 1 A 125 125 GLY CA C 125 46.724 46.314 0.410 1 1 1569 . 13 1 1 A 126 126 GLN H H 126 7.495 7.863 -0.368 1 1 1570 . 13 1 1 A 126 126 GLN HA H 126 4.261 3.976 0.285 1 1 1577 . 13 1 1 A 126 126 GLN C C 126 178.235 178.060 0.175 1 1 1578 . 13 1 1 A 126 126 GLN CA C 126 57.807 58.659 -0.852 1 1 1579 . 13 1 1 A 126 126 GLN CB C 126 30.039 28.437 1.602 1 1 1581 . 13 1 1 A 126 126 GLN N N 126 120.404 122.170 -1.766 1 1 1583 . 13 1 1 A 127 127 VAL H H 127 7.839 7.741 0.098 1 1 1584 . 13 1 1 A 127 127 VAL HA H 127 3.360 3.492 -0.132 1 1 1592 . 13 1 1 A 127 127 VAL C C 127 178.441 178.208 0.233 1 1 1593 . 13 1 1 A 127 127 VAL CA C 127 67.231 66.253 0.978 1 1 1594 . 13 1 1 A 127 127 VAL CB C 127 31.948 31.602 0.346 1 1 1597 . 13 1 1 A 127 127 VAL N N 127 121.180 119.944 1.236 1 1 1598 . 13 1 1 A 128 128 ILE H H 128 7.725 8.278 -0.553 1 1 1599 . 13 1 1 A 128 128 ILE HA H 128 3.820 3.609 0.211 1 1 1609 . 13 1 1 A 128 128 ILE C C 128 178.599 177.945 0.654 1 1 1610 . 13 1 1 A 128 128 ILE CA C 128 64.978 65.757 -0.779 1 1 1611 . 13 1 1 A 128 128 ILE CB C 128 37.976 37.911 0.065 1 1 1615 . 13 1 1 A 128 128 ILE N N 128 119.369 120.600 -1.231 1 1 1616 . 13 1 1 A 129 129 LYS H H 129 7.204 8.268 -1.064 1 1 1617 . 13 1 1 A 129 129 LYS HA H 129 4.241 3.960 0.281 1 1 1626 . 13 1 1 A 129 129 LYS C C 129 178.902 179.172 -0.270 1 1 1627 . 13 1 1 A 129 129 LYS CA C 129 58.690 59.485 -0.795 1 1 1628 . 13 1 1 A 129 129 LYS CB C 129 31.725 32.350 -0.625 1 1 1632 . 13 1 1 A 129 129 LYS N N 129 119.356 118.975 0.381 1 1 1633 . 13 1 1 A 130 130 LEU H H 130 7.750 7.298 0.452 1 1 1634 . 13 1 1 A 130 130 LEU HA H 130 3.649 3.847 -0.198 1 1 1644 . 13 1 1 A 130 130 LEU C C 130 178.756 179.063 -0.307 1 1 1645 . 13 1 1 A 130 130 LEU CA C 130 57.913 57.739 0.174 1 1 1646 . 13 1 1 A 130 130 LEU CB C 130 40.197 41.208 -1.011 1 1 1650 . 13 1 1 A 130 130 LEU N N 130 118.271 119.877 -1.606 1 1 1651 . 13 1 1 A 131 131 HIS H H 131 7.732 8.057 -0.325 1 1 1652 . 13 1 1 A 131 131 HIS HA H 131 3.918 4.234 -0.316 1 1 1657 . 13 1 1 A 131 131 HIS C C 131 178.392 177.743 0.649 1 1 1658 . 13 1 1 A 131 131 HIS CA C 131 61.019 59.772 1.247 1 1 1659 . 13 1 1 A 131 131 HIS CB C 131 29.951 29.466 0.485 1 1 1662 . 13 1 1 A 131 131 HIS N N 131 117.308 117.436 -0.128 1 1 1663 . 13 1 1 A 132 132 GLU H H 132 8.030 8.865 -0.835 1 1 1664 . 13 1 1 A 132 132 GLU HA H 132 4.097 3.940 0.157 1 1 1669 . 13 1 1 A 132 132 GLU C C 132 179.907 179.142 0.765 1 1 1670 . 13 1 1 A 132 132 GLU CA C 132 59.660 59.395 0.265 1 1 1671 . 13 1 1 A 132 132 GLU CB C 132 29.627 29.371 0.256 1 1 1673 . 13 1 1 A 132 132 GLU N N 132 121.443 119.140 2.303 1 1 1674 . 13 1 1 A 133 133 VAL H H 133 8.250 8.982 -0.732 1 1 1675 . 13 1 1 A 133 133 VAL HA H 133 3.352 3.236 0.116 1 1 1683 . 13 1 1 A 133 133 VAL C C 133 176.575 178.088 -1.513 1 1 1684 . 13 1 1 A 133 133 VAL CA C 133 66.367 66.195 0.172 1 1 1685 . 13 1 1 A 133 133 VAL CB C 133 31.203 31.320 -0.117 1 1 1688 . 13 1 1 A 133 133 VAL N N 133 121.281 120.215 1.066 1 1 1689 . 13 1 1 A 134 134 LEU H H 134 8.259 8.124 0.135 1 1 1690 . 13 1 1 A 134 134 LEU HA H 134 3.645 3.857 -0.212 1 1 1700 . 13 1 1 A 134 134 LEU C C 134 177.980 178.315 -0.335 1 1 1701 . 13 1 1 A 134 134 LEU CA C 134 58.154 58.561 -0.407 1 1 1702 . 13 1 1 A 134 134 LEU CB C 134 40.320 42.081 -1.761 1 1 1706 . 13 1 1 A 134 134 LEU N N 134 120.134 120.548 -0.414 1 1 1707 . 13 1 1 A 135 135 GLU H H 135 7.611 8.354 -0.743 1 1 1708 . 13 1 1 A 135 135 GLU HA H 135 3.972 3.950 0.022 1 1 1713 . 13 1 1 A 135 135 GLU C C 135 179.834 179.752 0.082 1 1 1714 . 13 1 1 A 135 135 GLU CA C 135 59.325 59.620 -0.295 1 1 1715 . 13 1 1 A 135 135 GLU CB C 135 29.134 29.436 -0.302 1 1 1717 . 13 1 1 A 135 135 GLU N N 135 116.026 117.778 -1.752 1 1 1718 . 13 1 1 A 136 136 ARG H H 136 7.789 8.225 -0.436 1 1 1719 . 13 1 1 A 136 136 ARG HA H 136 4.140 4.150 -0.010 1 1 1726 . 13 1 1 A 136 136 ARG C C 136 179.083 179.041 0.042 1 1 1727 . 13 1 1 A 136 136 ARG CA C 136 59.131 59.603 -0.472 1 1 1728 . 13 1 1 A 136 136 ARG CB C 136 30.368 30.063 0.305 1 1 1731 . 13 1 1 A 136 136 ARG N N 136 119.681 120.271 -0.590 1 1 1732 . 13 1 1 A 137 137 GLU H H 137 9.238 8.468 0.770 1 1 1733 . 13 1 1 A 137 137 GLU HA H 137 4.637 4.212 0.425 1 1 1738 . 13 1 1 A 137 137 GLU C C 137 178.817 178.707 0.110 1 1 1739 . 13 1 1 A 137 137 GLU CA C 137 58.036 59.273 -1.237 1 1 1740 . 13 1 1 A 137 137 GLU CB C 137 28.147 29.307 -1.160 1 1 1742 . 13 1 1 A 137 137 GLU N N 137 124.333 118.902 5.431 1 1 1743 . 13 1 1 A 138 138 LYS H H 138 8.788 8.426 0.362 1 1 1744 . 13 1 1 A 138 138 LYS HA H 138 3.899 4.031 -0.132 1 1 1753 . 13 1 1 A 138 138 LYS C C 138 179.944 179.233 0.711 1 1 1754 . 13 1 1 A 138 138 LYS CA C 138 60.754 59.745 1.009 1 1 1755 . 13 1 1 A 138 138 LYS CB C 138 32.789 32.502 0.287 1 1 1759 . 13 1 1 A 138 138 LYS N N 138 119.622 120.017 -0.395 1 1 1760 . 13 1 1 A 139 139 LYS H H 139 7.313 7.653 -0.340 1 1 1761 . 13 1 1 A 139 139 LYS HA H 139 4.070 4.002 0.068 1 1 1770 . 13 1 1 A 139 139 LYS C C 139 178.235 179.279 -1.044 1 1 1771 . 13 1 1 A 139 139 LYS CA C 139 59.166 60.086 -0.920 1 1 1772 . 13 1 1 A 139 139 LYS CB C 139 32.424 32.349 0.075 1 1 1776 . 13 1 1 A 139 139 LYS N N 139 117.326 120.087 -2.761 1 1 1777 . 13 1 1 A 140 140 ARG H H 140 8.344 8.151 0.193 1 1 1778 . 13 1 1 A 140 140 ARG HA H 140 4.080 3.956 0.124 1 1 1786 . 13 1 1 A 140 140 ARG C C 140 179.531 178.918 0.613 1 1 1787 . 13 1 1 A 140 140 ARG CA C 140 59.184 60.007 -0.823 1 1 1788 . 13 1 1 A 140 140 ARG CB C 140 31.190 29.892 1.298 1 1 1791 . 13 1 1 A 140 140 ARG N N 140 121.404 119.026 2.378 1 1 1793 . 13 1 1 A 141 141 ARG H H 141 8.171 8.201 -0.030 1 1 1794 . 13 1 1 A 141 141 ARG HA H 141 4.034 4.089 -0.055 1 1 1802 . 13 1 1 A 141 141 ARG C C 141 178.671 178.936 -0.265 1 1 1803 . 13 1 1 A 141 141 ARG CA C 141 58.337 58.904 -0.567 1 1 1804 . 13 1 1 A 141 141 ARG CB C 141 30.327 29.920 0.407 1 1 1807 . 13 1 1 A 141 141 ARG N N 141 115.667 119.029 -3.362 1 1 1809 . 13 1 1 A 142 142 ILE H H 142 7.521 8.362 -0.841 1 1 1810 . 13 1 1 A 142 142 ILE HA H 142 4.074 3.699 0.375 1 1 1820 . 13 1 1 A 142 142 ILE C C 142 177.787 178.046 -0.259 1 1 1821 . 13 1 1 A 142 142 ILE CA C 142 63.178 64.900 -1.722 1 1 1822 . 13 1 1 A 142 142 ILE CB C 142 38.346 37.847 0.499 1 1 1826 . 13 1 1 A 142 142 ILE N N 142 118.031 121.072 -3.041 1 1 1827 . 13 1 1 A 143 143 GLU H H 143 8.041 8.249 -0.208 1 1 1828 . 13 1 1 A 143 143 GLU HA H 143 4.251 4.034 0.217 1 1 1833 . 13 1 1 A 143 143 GLU C C 143 177.217 177.260 -0.043 1 1 1834 . 13 1 1 A 143 143 GLU CA C 143 57.595 59.518 -1.923 1 1 1835 . 13 1 1 A 143 143 GLU CB C 143 29.998 29.576 0.422 1 1 1837 . 13 1 1 A 143 143 GLU N N 143 120.963 120.228 0.735 1 1 1838 . 13 1 1 A 144 144 SER H H 144 8.041 7.902 0.139 1 1 1839 . 13 1 1 A 144 144 SER HA H 144 4.538 4.781 -0.243 1 1 1842 . 13 1 1 A 144 144 SER C C 144 174.721 173.775 0.946 1 1 1843 . 13 1 1 A 144 144 SER CA C 144 58.801 56.990 1.811 1 1 1844 . 13 1 1 A 144 144 SER CB C 144 64.126 63.987 0.139 1 1 1845 . 13 1 1 A 144 144 SER N N 144 114.646 113.448 1.198 1 1 1846 . 13 1 1 A 145 145 GLY H H 145 7.982 8.319 -0.337 1 1 1847 . 13 1 1 A 145 145 GLY HA2 H 145 4.102 4.159 -0.057 1 1 1848 . 13 1 1 A 145 145 GLY HA3 H 145 4.231 4.160 0.071 1 1 1849 . 13 1 1 A 145 145 GLY C C 145 171.800 172.084 -0.284 1 1 1850 . 13 1 1 A 145 145 GLY CA C 145 44.854 45.481 -0.627 1 1 1851 . 13 1 1 A 145 145 GLY N N 145 110.299 113.907 -3.608 1 1 1852 . 13 1 1 A 146 146 PRO HA H 146 4.510 4.802 -0.292 1 1 1859 . 13 1 1 A 146 146 PRO C C 146 177.496 176.203 1.293 1 1 1860 . 13 1 1 A 146 146 PRO CA C 146 63.313 62.239 1.074 1 1 1861 . 13 1 1 A 146 146 PRO CB C 146 32.177 29.148 3.029 1 1 1864 . 13 1 1 A 147 147 SER H H 147 8.530 8.559 -0.029 1 1 1865 . 13 1 1 A 147 147 SER C C 147 174.721 174.813 -0.092 1 1 1866 . 13 1 1 A 147 147 SER CA C 147 58.390 57.997 0.393 1 1 1867 . 13 1 1 A 147 147 SER CB C 147 63.803 64.352 -0.549 1 1 1868 . 13 1 1 A 147 147 SER N N 147 116.436 119.437 -3.001 1 1 1869 . 13 1 1 A 148 148 SER H H 148 8.348 9.192 -0.844 1 1 1870 . 13 1 1 A 148 148 SER C C 148 173.957 173.728 0.229 1 1 1871 . 13 1 1 A 148 148 SER CA C 148 58.372 59.401 -1.029 1 1 1872 . 13 1 1 A 148 148 SER CB C 148 64.008 62.200 1.808 1 1 1 . 14 1 1 A 8 8 GLN HA H 8 4.221 4.559 -0.338 1 1 8 . 14 1 1 A 8 8 GLN CA C 8 56.851 54.178 2.673 1 1 9 . 14 1 1 A 8 8 GLN CB C 8 28.887 28.003 0.884 1 1 12 . 14 1 1 A 9 9 GLU H H 9 8.480 8.471 0.009 1 1 13 . 14 1 1 A 9 9 GLU HA H 9 4.166 4.298 -0.132 1 1 18 . 14 1 1 A 9 9 GLU CA C 9 58.333 58.654 -0.321 1 1 19 . 14 1 1 A 9 9 GLU CB C 9 29.545 28.696 0.849 1 1 21 . 14 1 1 A 9 9 GLU N N 9 121.149 122.326 -1.177 1 1 22 . 14 1 1 A 10 10 ARG H H 10 8.336 8.595 -0.259 1 1 23 . 14 1 1 A 10 10 ARG HA H 10 4.131 4.220 -0.089 1 1 30 . 14 1 1 A 10 10 ARG C C 10 177.350 176.717 0.633 1 1 31 . 14 1 1 A 10 10 ARG CA C 10 57.731 58.614 -0.883 1 1 32 . 14 1 1 A 10 10 ARG CB C 10 30.061 31.079 -1.018 1 1 35 . 14 1 1 A 10 10 ARG N N 10 120.177 123.231 -3.054 1 1 36 . 14 1 1 A 11 11 LEU H H 11 7.741 8.061 -0.320 1 1 37 . 14 1 1 A 11 11 LEU HA H 11 4.219 4.226 -0.007 1 1 44 . 14 1 1 A 11 11 LEU CA C 11 56.781 55.779 1.002 1 1 45 . 14 1 1 A 11 11 LEU CB C 11 41.875 41.065 0.810 1 1 49 . 14 1 1 A 11 11 LEU N N 11 120.410 117.601 2.809 1 1 50 . 14 1 1 A 12 12 LYS H H 12 7.816 9.027 -1.211 1 1 51 . 14 1 1 A 12 12 LYS HA H 12 4.091 4.884 -0.793 1 1 60 . 14 1 1 A 12 12 LYS CA C 12 58.234 54.820 3.414 1 1 61 . 14 1 1 A 12 12 LYS CB C 12 32.530 36.127 -3.597 1 1 65 . 14 1 1 A 12 12 LYS N N 12 119.365 123.986 -4.621 1 1 66 . 14 1 1 A 13 13 ILE H H 13 7.851 8.590 -0.739 1 1 67 . 14 1 1 A 13 13 ILE HA H 13 3.951 4.123 -0.172 1 1 77 . 14 1 1 A 13 13 ILE C C 13 176.914 175.355 1.559 1 1 78 . 14 1 1 A 13 13 ILE CA C 13 62.713 62.059 0.654 1 1 79 . 14 1 1 A 13 13 ILE CB C 13 38.264 38.126 0.138 1 1 83 . 14 1 1 A 14 14 THR H H 14 7.750 8.734 -0.984 1 1 84 . 14 1 1 A 14 14 THR HA H 14 4.021 4.910 -0.889 1 1 88 . 14 1 1 A 14 14 THR C C 14 174.818 173.727 1.091 1 1 89 . 14 1 1 A 14 14 THR CA C 14 63.172 60.744 2.428 1 1 90 . 14 1 1 A 14 14 THR CB C 14 68.985 72.164 -3.179 1 1 92 . 14 1 1 A 14 14 THR N N 14 110.999 120.495 -9.496 1 1 93 . 14 1 1 A 15 15 ALA H H 15 7.922 8.375 -0.453 1 1 94 . 14 1 1 A 15 15 ALA HA H 15 4.141 4.128 0.013 1 1 98 . 14 1 1 A 15 15 ALA C C 15 177.593 176.706 0.887 1 1 99 . 14 1 1 A 15 15 ALA CA C 15 53.007 54.023 -1.016 1 1 100 . 14 1 1 A 15 15 ALA CB C 15 18.747 18.259 0.488 1 1 101 . 14 1 1 A 15 15 ALA N N 15 122.429 124.757 -2.328 1 1 102 . 14 1 1 A 16 16 LEU H H 16 7.442 8.503 -1.061 1 1 103 . 14 1 1 A 16 16 LEU HA H 16 4.653 4.434 0.219 1 1 112 . 14 1 1 A 16 16 LEU C C 16 173.182 174.920 -1.738 1 1 113 . 14 1 1 A 16 16 LEU CA C 16 51.524 53.808 -2.284 1 1 114 . 14 1 1 A 16 16 LEU CB C 16 45.831 41.561 4.270 1 1 118 . 14 1 1 A 16 16 LEU N N 16 120.226 122.946 -2.720 1 1 119 . 14 1 1 A 17 17 PRO HA H 17 4.140 4.606 -0.466 1 1 126 . 14 1 1 A 17 17 PRO C C 17 174.296 176.160 -1.864 1 1 127 . 14 1 1 A 17 17 PRO CA C 17 62.007 62.228 -0.221 1 1 128 . 14 1 1 A 17 17 PRO CB C 17 32.013 31.600 0.413 1 1 131 . 14 1 1 A 18 18 LEU H H 18 8.071 8.093 -0.022 1 1 132 . 14 1 1 A 18 18 LEU HA H 18 4.097 4.137 -0.040 1 1 142 . 14 1 1 A 18 18 LEU C C 18 176.974 175.483 1.491 1 1 143 . 14 1 1 A 18 18 LEU CA C 18 55.043 55.710 -0.667 1 1 144 . 14 1 1 A 18 18 LEU CB C 18 42.376 42.129 0.247 1 1 148 . 14 1 1 A 18 18 LEU N N 18 119.963 123.784 -3.821 1 1 149 . 14 1 1 A 19 19 TYR H H 19 9.108 9.118 -0.010 1 1 150 . 14 1 1 A 19 19 TYR HA H 19 5.121 4.770 0.351 1 1 157 . 14 1 1 A 19 19 TYR C C 19 174.515 175.773 -1.258 1 1 158 . 14 1 1 A 19 19 TYR CA C 19 55.160 59.170 -4.010 1 1 159 . 14 1 1 A 19 19 TYR CB C 19 39.292 40.541 -1.249 1 1 164 . 14 1 1 A 19 19 TYR N N 19 127.955 123.249 4.706 1 1 165 . 14 1 1 A 20 20 PHE H H 20 7.560 7.445 0.115 1 1 166 . 14 1 1 A 20 20 PHE HA H 20 4.281 4.490 -0.209 1 1 174 . 14 1 1 A 20 20 PHE C C 20 171.170 173.238 -2.068 1 1 175 . 14 1 1 A 20 20 PHE CA C 20 57.031 56.481 0.550 1 1 176 . 14 1 1 A 20 20 PHE CB C 20 40.937 41.921 -0.984 1 1 182 . 14 1 1 A 20 20 PHE N N 20 115.328 116.131 -0.803 1 1 183 . 14 1 1 A 21 21 GLU H H 21 5.556 8.213 -2.657 1 1 184 . 14 1 1 A 21 21 GLU HA H 21 5.191 4.844 0.347 1 1 189 . 14 1 1 A 21 21 GLU C C 21 173.024 174.224 -1.200 1 1 190 . 14 1 1 A 21 21 GLU CA C 21 53.025 54.167 -1.142 1 1 191 . 14 1 1 A 21 21 GLU CB C 21 31.760 32.916 -1.156 1 1 193 . 14 1 1 A 21 21 GLU N N 21 118.643 121.542 -2.899 1 1 194 . 14 1 1 A 22 22 GLY H H 22 7.721 7.888 -0.167 1 1 195 . 14 1 1 A 22 22 GLY HA2 H 22 4.024 4.021 0.003 1 1 196 . 14 1 1 A 22 22 GLY HA3 H 22 3.107 4.081 -0.974 1 1 197 . 14 1 1 A 22 22 GLY C C 22 171.994 172.000 -0.006 1 1 198 . 14 1 1 A 22 22 GLY CA C 22 45.013 45.731 -0.718 1 1 199 . 14 1 1 A 22 22 GLY N N 22 106.155 106.903 -0.748 1 1 200 . 14 1 1 A 23 23 PHE H H 23 8.881 8.618 0.263 1 1 201 . 14 1 1 A 23 23 PHE HA H 23 5.303 4.512 0.791 1 1 209 . 14 1 1 A 23 23 PHE C C 23 176.926 175.174 1.752 1 1 210 . 14 1 1 A 23 23 PHE CA C 23 60.013 59.327 0.686 1 1 211 . 14 1 1 A 23 23 PHE CB C 23 40.937 39.004 1.933 1 1 217 . 14 1 1 A 23 23 PHE N N 23 119.442 121.209 -1.767 1 1 218 . 14 1 1 A 24 24 LEU H H 24 9.072 8.696 0.376 1 1 219 . 14 1 1 A 24 24 LEU HA H 24 4.562 5.120 -0.558 1 1 229 . 14 1 1 A 24 24 LEU C C 24 174.406 174.633 -0.227 1 1 230 . 14 1 1 A 24 24 LEU CA C 24 54.437 53.722 0.715 1 1 231 . 14 1 1 A 24 24 LEU CB C 24 48.381 44.995 3.386 1 1 235 . 14 1 1 A 24 24 LEU N N 24 122.488 126.151 -3.663 1 1 236 . 14 1 1 A 25 25 LEU H H 25 8.120 8.254 -0.134 1 1 237 . 14 1 1 A 25 25 LEU HA H 25 5.480 5.594 -0.114 1 1 247 . 14 1 1 A 25 25 LEU C C 25 176.175 176.059 0.116 1 1 248 . 14 1 1 A 25 25 LEU CA C 25 54.242 53.293 0.949 1 1 249 . 14 1 1 A 25 25 LEU CB C 25 42.576 42.777 -0.201 1 1 253 . 14 1 1 A 25 25 LEU N N 25 120.790 125.855 -5.065 1 1 254 . 14 1 1 A 26 26 ILE H H 26 9.110 8.721 0.389 1 1 255 . 14 1 1 A 26 26 ILE HA H 26 5.232 4.721 0.511 1 1 265 . 14 1 1 A 26 26 ILE C C 26 174.757 174.390 0.367 1 1 266 . 14 1 1 A 26 26 ILE CA C 26 57.613 59.627 -2.014 1 1 267 . 14 1 1 A 26 26 ILE CB C 26 41.343 40.353 0.990 1 1 271 . 14 1 1 A 26 26 ILE N N 26 120.679 124.374 -3.695 1 1 272 . 14 1 1 A 27 27 LYS H H 27 9.150 8.298 0.852 1 1 273 . 14 1 1 A 27 27 LYS HA H 27 4.425 4.076 0.349 1 1 282 . 14 1 1 A 27 27 LYS C C 27 175.557 175.278 0.279 1 1 283 . 14 1 1 A 27 27 LYS CA C 27 56.095 54.487 1.608 1 1 284 . 14 1 1 A 27 27 LYS CB C 27 35.056 31.937 3.119 1 1 288 . 14 1 1 A 27 27 LYS N N 27 127.778 128.362 -0.584 1 1 289 . 14 1 1 A 28 28 ARG H H 28 5.868 7.195 -1.327 1 1 290 . 14 1 1 A 28 28 ARG HA H 28 4.429 4.307 0.122 1 1 298 . 14 1 1 A 28 28 ARG C C 28 176.078 177.687 -1.609 1 1 299 . 14 1 1 A 28 28 ARG CA C 28 54.542 55.715 -1.173 1 1 300 . 14 1 1 A 28 28 ARG CB C 28 31.602 31.249 0.353 1 1 303 . 14 1 1 A 28 28 ARG N N 28 124.548 126.055 -1.507 1 1 305 . 14 1 1 A 29 29 SER H H 29 9.067 8.672 0.395 1 1 306 . 14 1 1 A 29 29 SER HA H 29 4.181 4.171 0.010 1 1 309 . 14 1 1 A 29 29 SER C C 29 176.066 175.258 0.808 1 1 310 . 14 1 1 A 29 29 SER CA C 29 61.019 61.706 -0.687 1 1 311 . 14 1 1 A 29 29 SER CB C 29 63.057 62.879 0.178 1 1 312 . 14 1 1 A 29 29 SER N N 29 116.823 116.095 0.728 1 1 313 . 14 1 1 A 30 30 GLY HA2 H 30 3.810 4.123 -0.313 1 1 314 . 14 1 1 A 30 30 GLY HA3 H 30 4.172 4.136 0.036 1 1 315 . 14 1 1 A 30 30 GLY CA C 30 45.171 46.033 -0.862 1 1 316 . 14 1 1 A 31 31 TYR H H 31 8.001 8.756 -0.755 1 1 317 . 14 1 1 A 31 31 TYR HA H 31 4.729 4.738 -0.009 1 1 324 . 14 1 1 A 31 31 TYR CB C 31 37.249 40.639 -3.390 1 1 329 . 14 1 1 A 31 31 TYR N N 31 121.120 123.561 -2.441 1 1 330 . 14 1 1 A 32 32 ARG HA H 32 4.204 3.936 0.268 1 1 337 . 14 1 1 A 32 32 ARG C C 32 176.066 174.627 1.439 1 1 338 . 14 1 1 A 32 32 ARG CA C 32 57.631 57.958 -0.327 1 1 339 . 14 1 1 A 32 32 ARG CB C 32 30.861 29.059 1.802 1 1 342 . 14 1 1 A 33 33 GLU H H 33 7.700 8.190 -0.490 1 1 343 . 14 1 1 A 33 33 GLU HA H 33 4.600 4.832 -0.232 1 1 348 . 14 1 1 A 33 33 GLU C C 33 175.569 174.705 0.864 1 1 349 . 14 1 1 A 33 33 GLU CA C 33 53.695 54.759 -1.064 1 1 350 . 14 1 1 A 33 33 GLU CB C 33 33.000 32.424 0.576 1 1 352 . 14 1 1 A 33 33 GLU N N 33 115.988 114.331 1.657 1 1 353 . 14 1 1 A 34 34 TYR H H 34 8.755 8.671 0.084 1 1 354 . 14 1 1 A 34 34 TYR HA H 34 4.311 4.427 -0.116 1 1 361 . 14 1 1 A 34 34 TYR C C 34 176.999 176.246 0.753 1 1 362 . 14 1 1 A 34 34 TYR CA C 34 59.537 59.185 0.352 1 1 363 . 14 1 1 A 34 34 TYR CB C 34 39.744 39.188 0.556 1 1 368 . 14 1 1 A 34 34 TYR N N 34 118.663 123.055 -4.392 1 1 369 . 14 1 1 A 35 35 GLU H H 35 9.024 8.696 0.328 1 1 370 . 14 1 1 A 35 35 GLU HA H 35 4.401 5.032 -0.631 1 1 375 . 14 1 1 A 35 35 GLU C C 35 174.406 175.248 -0.842 1 1 376 . 14 1 1 A 35 35 GLU CA C 35 54.330 54.931 -0.601 1 1 377 . 14 1 1 A 35 35 GLU CB C 35 31.972 33.211 -1.239 1 1 379 . 14 1 1 A 35 35 GLU N N 35 122.488 121.793 0.695 1 1 380 . 14 1 1 A 36 36 HIS H H 36 8.639 8.747 -0.108 1 1 381 . 14 1 1 A 36 36 HIS HA H 36 4.980 5.159 -0.179 1 1 386 . 14 1 1 A 36 36 HIS C C 36 174.127 173.598 0.529 1 1 387 . 14 1 1 A 36 36 HIS CA C 36 55.607 55.298 0.309 1 1 388 . 14 1 1 A 36 36 HIS CB C 36 31.396 31.036 0.360 1 1 391 . 14 1 1 A 36 36 HIS N N 36 123.767 121.094 2.673 1 1 392 . 14 1 1 A 37 37 TYR H H 37 8.931 8.977 -0.046 1 1 393 . 14 1 1 A 37 37 TYR HA H 37 5.668 4.978 0.690 1 1 400 . 14 1 1 A 37 37 TYR C C 37 177.969 174.698 3.271 1 1 401 . 14 1 1 A 37 37 TYR CA C 37 55.407 57.060 -1.653 1 1 402 . 14 1 1 A 37 37 TYR CB C 37 42.089 42.608 -0.519 1 1 407 . 14 1 1 A 37 37 TYR N N 37 124.075 122.798 1.277 1 1 408 . 14 1 1 A 38 38 TRP H H 38 8.931 9.588 -0.657 1 1 409 . 14 1 1 A 38 38 TRP HA H 38 4.329 4.945 -0.616 1 1 418 . 14 1 1 A 38 38 TRP C C 38 174.345 175.435 -1.090 1 1 419 . 14 1 1 A 38 38 TRP CA C 38 58.230 56.261 1.969 1 1 420 . 14 1 1 A 38 38 TRP CB C 38 28.846 29.104 -0.258 1 1 426 . 14 1 1 A 38 38 TRP N N 38 125.317 126.945 -1.628 1 1 428 . 14 1 1 A 39 39 THR H H 39 8.366 8.882 -0.516 1 1 429 . 14 1 1 A 39 39 THR HA H 39 5.535 4.968 0.567 1 1 434 . 14 1 1 A 39 39 THR C C 39 173.303 174.239 -0.936 1 1 435 . 14 1 1 A 39 39 THR CA C 39 62.037 62.786 -0.749 1 1 436 . 14 1 1 A 39 39 THR CB C 39 70.295 70.324 -0.029 1 1 438 . 14 1 1 A 39 39 THR N N 39 127.024 122.123 4.901 1 1 439 . 14 1 1 A 40 40 GLU H H 40 8.902 9.673 -0.771 1 1 440 . 14 1 1 A 40 40 GLU HA H 40 4.816 4.976 -0.160 1 1 445 . 14 1 1 A 40 40 GLU C C 40 175.351 174.665 0.686 1 1 446 . 14 1 1 A 40 40 GLU CA C 40 53.607 54.648 -1.041 1 1 447 . 14 1 1 A 40 40 GLU CB C 40 34.639 33.297 1.342 1 1 449 . 14 1 1 A 40 40 GLU N N 40 120.613 124.650 -4.037 1 1 450 . 14 1 1 A 41 41 LEU H H 41 8.910 9.212 -0.302 1 1 451 . 14 1 1 A 41 41 LEU HA H 41 5.168 5.150 0.018 1 1 461 . 14 1 1 A 41 41 LEU C C 41 174.806 175.025 -0.219 1 1 462 . 14 1 1 A 41 41 LEU CA C 41 53.872 54.493 -0.621 1 1 463 . 14 1 1 A 41 41 LEU CB C 41 43.610 43.338 0.272 1 1 467 . 14 1 1 A 41 41 LEU N N 41 123.682 126.969 -3.287 1 1 468 . 14 1 1 A 42 42 ARG H H 42 9.150 8.401 0.749 1 1 469 . 14 1 1 A 42 42 ARG HA H 42 5.182 4.620 0.562 1 1 474 . 14 1 1 A 42 42 ARG C C 42 176.272 176.401 -0.129 1 1 475 . 14 1 1 A 42 42 ARG CA C 42 53.643 54.808 -1.165 1 1 476 . 14 1 1 A 42 42 ARG CB C 42 33.205 33.240 -0.035 1 1 479 . 14 1 1 A 42 42 ARG N N 42 127.645 125.687 1.958 1 1 480 . 14 1 1 A 43 43 GLY H H 43 6.304 8.447 -2.143 1 1 481 . 14 1 1 A 43 43 GLY HA2 H 43 3.917 3.887 0.030 1 1 482 . 14 1 1 A 43 43 GLY HA3 H 43 3.812 4.047 -0.235 1 1 483 . 14 1 1 A 43 43 GLY C C 43 171.630 174.686 -3.056 1 1 484 . 14 1 1 A 43 43 GLY CA C 43 47.025 47.361 -0.336 1 1 485 . 14 1 1 A 43 43 GLY N N 43 112.565 113.336 -0.771 1 1 486 . 14 1 1 A 44 44 THR H H 44 7.841 8.402 -0.561 1 1 487 . 14 1 1 A 44 44 THR HA H 44 4.313 4.730 -0.417 1 1 492 . 14 1 1 A 44 44 THR C C 44 172.515 173.458 -0.943 1 1 493 . 14 1 1 A 44 44 THR CA C 44 60.207 60.903 -0.696 1 1 494 . 14 1 1 A 44 44 THR CB C 44 68.320 70.171 -1.851 1 1 496 . 14 1 1 A 44 44 THR N N 44 111.769 117.813 -6.044 1 1 497 . 14 1 1 A 45 45 THR H H 45 8.500 8.249 0.251 1 1 498 . 14 1 1 A 45 45 THR HA H 45 4.664 4.675 -0.011 1 1 503 . 14 1 1 A 45 45 THR C C 45 172.224 173.542 -1.318 1 1 504 . 14 1 1 A 45 45 THR CA C 45 62.413 61.588 0.825 1 1 505 . 14 1 1 A 45 45 THR CB C 45 69.848 70.654 -0.806 1 1 507 . 14 1 1 A 45 45 THR N N 45 118.681 117.115 1.566 1 1 508 . 14 1 1 A 46 46 LEU H H 46 8.391 8.648 -0.257 1 1 509 . 14 1 1 A 46 46 LEU HA H 46 4.892 4.638 0.254 1 1 519 . 14 1 1 A 46 46 LEU C C 46 174.260 175.224 -0.964 1 1 520 . 14 1 1 A 46 46 LEU CA C 46 52.654 53.504 -0.850 1 1 521 . 14 1 1 A 46 46 LEU CB C 46 42.911 41.043 1.868 1 1 525 . 14 1 1 A 46 46 LEU N N 46 125.559 128.238 -2.679 1 1 526 . 14 1 1 A 47 47 PHE H H 47 9.131 8.981 0.150 1 1 527 . 14 1 1 A 47 47 PHE HA H 47 3.940 4.511 -0.571 1 1 535 . 14 1 1 A 47 47 PHE C C 47 173.363 174.195 -0.832 1 1 536 . 14 1 1 A 47 47 PHE CA C 47 57.454 55.813 1.641 1 1 537 . 14 1 1 A 47 47 PHE CB C 47 42.747 40.257 2.490 1 1 543 . 14 1 1 A 47 47 PHE N N 47 121.095 123.656 -2.561 1 1 544 . 14 1 1 A 48 48 PHE H H 48 7.881 9.115 -1.234 1 1 545 . 14 1 1 A 48 48 PHE HA H 48 5.021 5.378 -0.357 1 1 553 . 14 1 1 A 48 48 PHE C C 48 173.727 174.667 -0.940 1 1 554 . 14 1 1 A 48 48 PHE CA C 48 56.166 55.804 0.362 1 1 555 . 14 1 1 A 48 48 PHE CB C 48 39.169 41.002 -1.833 1 1 561 . 14 1 1 A 48 48 PHE N N 48 120.063 122.658 -2.595 1 1 562 . 14 1 1 A 49 49 TYR H H 49 9.972 9.725 0.247 1 1 563 . 14 1 1 A 49 49 TYR HA H 49 5.190 5.156 0.034 1 1 570 . 14 1 1 A 49 49 TYR C C 49 176.587 176.081 0.506 1 1 571 . 14 1 1 A 49 49 TYR CA C 49 56.254 57.023 -0.769 1 1 572 . 14 1 1 A 49 49 TYR CB C 49 41.842 43.220 -1.378 1 1 577 . 14 1 1 A 49 49 TYR N N 49 121.415 121.788 -0.373 1 1 578 . 14 1 1 A 50 50 THR H H 50 9.511 9.112 0.399 1 1 579 . 14 1 1 A 50 50 THR HA H 50 4.571 4.939 -0.368 1 1 584 . 14 1 1 A 50 50 THR C C 50 174.793 174.936 -0.143 1 1 585 . 14 1 1 A 50 50 THR CA C 50 65.361 62.671 2.690 1 1 586 . 14 1 1 A 50 50 THR CB C 50 69.043 69.932 -0.889 1 1 588 . 14 1 1 A 50 50 THR N N 50 114.446 113.558 0.888 1 1 589 . 14 1 1 A 51 51 ASP H H 51 7.828 7.959 -0.131 1 1 590 . 14 1 1 A 51 51 ASP HA H 51 4.803 5.068 -0.265 1 1 593 . 14 1 1 A 51 51 ASP C C 51 174.685 175.867 -1.182 1 1 594 . 14 1 1 A 51 51 ASP CA C 51 53.254 53.109 0.145 1 1 595 . 14 1 1 A 51 51 ASP CB C 51 43.586 44.461 -0.875 1 1 596 . 14 1 1 A 51 51 ASP N N 51 115.656 119.964 -4.308 1 1 597 . 14 1 1 A 52 52 LYS H H 52 8.271 8.756 -0.485 1 1 598 . 14 1 1 A 52 52 LYS HA H 52 2.800 3.893 -1.093 1 1 607 . 14 1 1 A 52 52 LYS C C 52 176.671 178.418 -1.747 1 1 608 . 14 1 1 A 52 52 LYS CA C 52 58.372 58.821 -0.449 1 1 609 . 14 1 1 A 52 52 LYS CB C 52 32.178 31.821 0.357 1 1 613 . 14 1 1 A 52 52 LYS N N 52 119.009 120.792 -1.783 1 1 614 . 14 1 1 A 53 53 LYS H H 53 8.068 7.767 0.301 1 1 615 . 14 1 1 A 53 53 LYS HA H 53 4.109 4.161 -0.052 1 1 624 . 14 1 1 A 53 53 LYS C C 53 176.950 177.717 -0.767 1 1 625 . 14 1 1 A 53 53 LYS CA C 53 55.830 58.699 -2.869 1 1 626 . 14 1 1 A 53 53 LYS CB C 53 32.301 32.149 0.152 1 1 630 . 14 1 1 A 53 53 LYS N N 53 116.395 118.219 -1.824 1 1 631 . 14 1 1 A 54 54 SER H H 54 7.549 7.520 0.029 1 1 632 . 14 1 1 A 54 54 SER HA H 54 4.316 4.364 -0.048 1 1 635 . 14 1 1 A 54 54 SER C C 54 174.394 173.762 0.632 1 1 636 . 14 1 1 A 54 54 SER CA C 54 59.395 59.895 -0.500 1 1 637 . 14 1 1 A 54 54 SER CB C 54 64.337 64.330 0.007 1 1 638 . 14 1 1 A 54 54 SER N N 54 116.653 114.574 2.079 1 1 639 . 14 1 1 A 55 55 ILE H H 55 8.424 9.167 -0.743 1 1 640 . 14 1 1 A 55 55 ILE HA H 55 4.267 4.190 0.077 1 1 650 . 14 1 1 A 55 55 ILE C C 55 174.999 176.132 -1.133 1 1 651 . 14 1 1 A 55 55 ILE CA C 55 62.213 62.546 -0.333 1 1 652 . 14 1 1 A 55 55 ILE CB C 55 38.728 38.478 0.250 1 1 656 . 14 1 1 A 55 55 ILE N N 55 118.660 125.532 -6.872 1 1 657 . 14 1 1 A 56 56 ILE H H 56 7.771 7.453 0.318 1 1 658 . 14 1 1 A 56 56 ILE HA H 56 4.561 4.847 -0.286 1 1 668 . 14 1 1 A 56 56 ILE C C 56 175.266 175.192 0.074 1 1 669 . 14 1 1 A 56 56 ILE CA C 56 59.342 59.251 0.091 1 1 670 . 14 1 1 A 56 56 ILE CB C 56 39.506 40.499 -0.993 1 1 674 . 14 1 1 A 56 56 ILE N N 56 119.568 117.543 2.025 1 1 675 . 14 1 1 A 57 57 TYR H H 57 7.251 8.402 -1.151 1 1 676 . 14 1 1 A 57 57 TYR HA H 57 4.261 4.206 0.055 1 1 683 . 14 1 1 A 57 57 TYR C C 57 174.902 176.338 -1.436 1 1 684 . 14 1 1 A 57 57 TYR CA C 57 56.201 57.014 -0.813 1 1 685 . 14 1 1 A 57 57 TYR CB C 57 37.230 39.252 -2.022 1 1 690 . 14 1 1 A 58 58 VAL H H 58 9.157 8.198 0.959 1 1 691 . 14 1 1 A 58 58 VAL HA H 58 4.251 3.915 0.336 1 1 699 . 14 1 1 A 58 58 VAL C C 58 175.812 175.026 0.786 1 1 700 . 14 1 1 A 58 58 VAL CA C 58 62.360 64.739 -2.379 1 1 701 . 14 1 1 A 58 58 VAL CB C 58 33.123 32.232 0.891 1 1 704 . 14 1 1 A 58 58 VAL N N 58 116.888 120.164 -3.276 1 1 705 . 14 1 1 A 59 59 ASP H H 59 7.990 7.584 0.406 1 1 706 . 14 1 1 A 59 59 ASP HA H 59 4.970 5.243 -0.273 1 1 709 . 14 1 1 A 59 59 ASP C C 59 172.346 173.774 -1.428 1 1 710 . 14 1 1 A 59 59 ASP CA C 59 52.601 53.415 -0.814 1 1 711 . 14 1 1 A 59 59 ASP CB C 59 42.952 44.693 -1.741 1 1 712 . 14 1 1 A 59 59 ASP N N 59 117.301 119.024 -1.723 1 1 713 . 14 1 1 A 60 60 LYS H H 60 8.991 8.817 0.174 1 1 714 . 14 1 1 A 60 60 LYS HA H 60 4.761 4.882 -0.121 1 1 723 . 14 1 1 A 60 60 LYS C C 60 173.666 174.732 -1.066 1 1 724 . 14 1 1 A 60 60 LYS CA C 60 54.718 53.509 1.209 1 1 725 . 14 1 1 A 60 60 LYS CB C 60 35.097 35.869 -0.772 1 1 729 . 14 1 1 A 60 60 LYS N N 60 118.648 117.600 1.048 1 1 730 . 14 1 1 A 61 61 LEU H H 61 8.702 8.158 0.544 1 1 731 . 14 1 1 A 61 61 LEU HA H 61 4.462 5.026 -0.564 1 1 741 . 14 1 1 A 61 61 LEU C C 61 173.630 174.861 -1.231 1 1 742 . 14 1 1 A 61 61 LEU CA C 61 54.065 53.108 0.957 1 1 743 . 14 1 1 A 61 61 LEU CB C 61 47.032 46.019 1.013 1 1 747 . 14 1 1 A 61 61 LEU N N 61 121.890 120.011 1.879 1 1 748 . 14 1 1 A 62 62 ASP H H 62 8.868 8.546 0.322 1 1 749 . 14 1 1 A 62 62 ASP HA H 62 4.841 4.919 -0.078 1 1 752 . 14 1 1 A 62 62 ASP C C 62 178.029 175.468 2.561 1 1 753 . 14 1 1 A 62 62 ASP CA C 62 53.819 54.077 -0.258 1 1 754 . 14 1 1 A 62 62 ASP CB C 62 40.772 42.586 -1.814 1 1 755 . 14 1 1 A 62 62 ASP N N 62 128.697 119.145 9.552 1 1 756 . 14 1 1 A 63 63 ILE H H 63 9.261 8.036 1.225 1 1 757 . 14 1 1 A 63 63 ILE HA H 63 4.554 4.605 -0.051 1 1 767 . 14 1 1 A 63 63 ILE C C 63 175.617 176.775 -1.158 1 1 768 . 14 1 1 A 63 63 ILE CA C 63 60.736 60.338 0.398 1 1 769 . 14 1 1 A 63 63 ILE CB C 63 38.364 37.860 0.504 1 1 773 . 14 1 1 A 63 63 ILE N N 63 120.253 120.731 -0.478 1 1 774 . 14 1 1 A 64 64 VAL H H 64 8.010 8.277 -0.267 1 1 775 . 14 1 1 A 64 64 VAL HA H 64 3.781 3.885 -0.104 1 1 783 . 14 1 1 A 64 64 VAL C C 64 174.878 176.560 -1.682 1 1 784 . 14 1 1 A 64 64 VAL CA C 64 65.572 65.034 0.538 1 1 785 . 14 1 1 A 64 64 VAL CB C 64 30.532 31.686 -1.154 1 1 788 . 14 1 1 A 64 64 VAL N N 64 122.413 122.956 -0.543 1 1 789 . 14 1 1 A 65 65 ASP H H 65 8.391 7.722 0.669 1 1 790 . 14 1 1 A 65 65 ASP HA H 65 4.841 4.818 0.023 1 1 793 . 14 1 1 A 65 65 ASP C C 65 174.854 175.540 -0.686 1 1 794 . 14 1 1 A 65 65 ASP CA C 65 53.483 53.811 -0.328 1 1 795 . 14 1 1 A 65 65 ASP CB C 65 40.114 40.733 -0.619 1 1 796 . 14 1 1 A 65 65 ASP N N 65 119.308 120.124 -0.816 1 1 797 . 14 1 1 A 66 66 LEU H H 66 7.517 7.187 0.330 1 1 798 . 14 1 1 A 66 66 LEU HA H 66 3.962 4.146 -0.184 1 1 808 . 14 1 1 A 66 66 LEU C C 66 176.708 177.512 -0.804 1 1 809 . 14 1 1 A 66 66 LEU CA C 66 57.471 56.471 1.000 1 1 810 . 14 1 1 A 66 66 LEU CB C 66 43.322 42.681 0.641 1 1 814 . 14 1 1 A 66 66 LEU N N 66 120.009 123.251 -3.242 1 1 815 . 14 1 1 A 67 67 THR H H 67 9.329 10.050 -0.721 1 1 816 . 14 1 1 A 67 67 THR HA H 67 4.363 4.347 0.016 1 1 821 . 14 1 1 A 67 67 THR C C 67 175.145 174.065 1.080 1 1 822 . 14 1 1 A 67 67 THR CA C 67 64.019 63.593 0.426 1 1 823 . 14 1 1 A 67 67 THR CB C 67 69.107 69.237 -0.130 1 1 825 . 14 1 1 A 67 67 THR N N 67 123.534 120.971 2.563 1 1 826 . 14 1 1 A 68 68 CYS H H 68 7.584 7.093 0.491 1 1 827 . 14 1 1 A 68 68 CYS HA H 68 4.604 4.726 -0.122 1 1 830 . 14 1 1 A 68 68 CYS C C 68 170.528 172.290 -1.762 1 1 831 . 14 1 1 A 68 68 CYS CA C 68 57.402 58.657 -1.255 1 1 832 . 14 1 1 A 68 68 CYS CB C 68 29.175 31.093 -1.918 1 1 833 . 14 1 1 A 68 68 CYS N N 68 115.015 115.844 -0.829 1 1 834 . 14 1 1 A 69 69 LEU H H 69 8.730 8.676 0.054 1 1 835 . 14 1 1 A 69 69 LEU HA H 69 5.411 5.065 0.346 1 1 845 . 14 1 1 A 69 69 LEU C C 69 176.356 175.899 0.457 1 1 846 . 14 1 1 A 69 69 LEU CA C 69 54.242 54.139 0.103 1 1 847 . 14 1 1 A 69 69 LEU CB C 69 44.885 45.516 -0.631 1 1 851 . 14 1 1 A 69 69 LEU N N 69 125.633 122.708 2.925 1 1 852 . 14 1 1 A 70 70 THR H H 70 9.197 8.600 0.597 1 1 853 . 14 1 1 A 70 70 THR HA H 70 4.702 5.065 -0.363 1 1 858 . 14 1 1 A 70 70 THR C C 70 173.582 173.787 -0.205 1 1 859 . 14 1 1 A 70 70 THR CA C 70 60.384 60.439 -0.055 1 1 860 . 14 1 1 A 70 70 THR CB C 70 70.870 71.423 -0.553 1 1 862 . 14 1 1 A 70 70 THR N N 70 120.391 118.099 2.292 1 1 863 . 14 1 1 A 71 71 GLU H H 71 8.965 8.887 0.078 1 1 864 . 14 1 1 A 71 71 GLU HA H 71 4.685 5.216 -0.531 1 1 869 . 14 1 1 A 71 71 GLU C C 71 175.957 175.499 0.458 1 1 870 . 14 1 1 A 71 71 GLU CA C 71 56.254 54.638 1.616 1 1 871 . 14 1 1 A 71 71 GLU CB C 71 31.396 32.445 -1.049 1 1 873 . 14 1 1 A 71 71 GLU N N 71 124.718 120.184 4.534 1 1 874 . 14 1 1 A 72 72 GLN H H 72 8.318 9.239 -0.921 1 1 875 . 14 1 1 A 72 72 GLN HA H 72 4.629 4.621 0.008 1 1 882 . 14 1 1 A 72 72 GLN C C 72 175.254 175.532 -0.278 1 1 883 . 14 1 1 A 72 72 GLN CA C 72 55.336 55.932 -0.596 1 1 884 . 14 1 1 A 72 72 GLN CB C 72 30.533 29.344 1.189 1 1 886 . 14 1 1 A 72 72 GLN N N 72 123.543 124.330 -0.787 1 1 888 . 14 1 1 A 73 73 ASN H H 73 8.670 8.546 0.124 1 1 889 . 14 1 1 A 73 73 ASN HA H 73 4.688 4.529 0.159 1 1 894 . 14 1 1 A 73 73 ASN C C 73 175.229 175.451 -0.222 1 1 895 . 14 1 1 A 73 73 ASN CA C 73 53.607 54.179 -0.572 1 1 896 . 14 1 1 A 73 73 ASN CB C 73 39.169 38.282 0.887 1 1 897 . 14 1 1 A 73 73 ASN N N 73 120.534 123.284 -2.750 1 1 899 . 14 1 1 A 74 74 SER H H 74 8.641 8.520 0.121 1 1 900 . 14 1 1 A 74 74 SER HA H 74 4.652 5.402 -0.750 1 1 903 . 14 1 1 A 74 74 SER C C 74 175.121 173.865 1.256 1 1 904 . 14 1 1 A 74 74 SER CA C 74 58.409 55.837 2.572 1 1 905 . 14 1 1 A 74 74 SER CB C 74 64.401 65.891 -1.490 1 1 906 . 14 1 1 A 74 74 SER N N 74 117.448 117.630 -0.182 1 1 907 . 14 1 1 A 75 75 THR HA H 75 4.282 4.813 -0.531 1 1 912 . 14 1 1 A 75 75 THR C C 75 174.878 174.419 0.459 1 1 913 . 14 1 1 A 75 75 THR CA C 75 62.819 60.964 1.855 1 1 914 . 14 1 1 A 75 75 THR CB C 75 69.061 70.404 -1.343 1 1 916 . 14 1 1 A 76 76 GLU H H 76 8.156 9.522 -1.366 1 1 917 . 14 1 1 A 76 76 GLU HA H 76 4.350 4.316 0.034 1 1 922 . 14 1 1 A 76 76 GLU C C 76 176.138 175.837 0.301 1 1 923 . 14 1 1 A 76 76 GLU CA C 76 56.202 58.735 -2.533 1 1 924 . 14 1 1 A 76 76 GLU CB C 76 30.532 28.593 1.939 1 1 926 . 14 1 1 A 76 76 GLU N N 76 122.220 125.068 -2.848 1 1 927 . 14 1 1 A 77 77 LYS H H 77 8.443 8.732 -0.289 1 1 928 . 14 1 1 A 77 77 LYS HA H 77 4.221 3.957 0.264 1 1 937 . 14 1 1 A 77 77 LYS C C 77 176.465 175.745 0.720 1 1 938 . 14 1 1 A 77 77 LYS CA C 77 56.730 56.862 -0.132 1 1 939 . 14 1 1 A 77 77 LYS CB C 77 32.301 31.357 0.944 1 1 943 . 14 1 1 A 77 77 LYS N N 77 122.162 117.867 4.295 1 1 944 . 14 1 1 A 78 78 ASN H H 78 8.621 8.548 0.073 1 1 945 . 14 1 1 A 78 78 ASN HA H 78 4.641 4.748 -0.107 1 1 950 . 14 1 1 A 78 78 ASN C C 78 173.485 175.456 -1.971 1 1 951 . 14 1 1 A 78 78 ASN CA C 78 53.748 53.837 -0.089 1 1 952 . 14 1 1 A 78 78 ASN CB C 78 38.058 38.173 -0.115 1 1 953 . 14 1 1 A 78 78 ASN N N 78 116.583 121.711 -5.128 1 1 955 . 14 1 1 A 79 79 CYS H H 79 7.551 8.728 -1.177 1 1 956 . 14 1 1 A 79 79 CYS HA H 79 4.371 5.019 -0.648 1 1 959 . 14 1 1 A 79 79 CYS C C 79 172.515 172.492 0.023 1 1 960 . 14 1 1 A 79 79 CYS CA C 79 57.295 57.596 -0.301 1 1 961 . 14 1 1 A 79 79 CYS CB C 79 29.628 32.614 -2.986 1 1 962 . 14 1 1 A 79 79 CYS N N 79 112.640 123.213 -10.573 1 1 963 . 14 1 1 A 80 80 ALA H H 80 7.642 8.715 -1.073 1 1 964 . 14 1 1 A 80 80 ALA HA H 80 4.727 5.227 -0.500 1 1 968 . 14 1 1 A 80 80 ALA C C 80 175.314 176.208 -0.894 1 1 969 . 14 1 1 A 80 80 ALA CA C 80 51.330 50.255 1.075 1 1 970 . 14 1 1 A 80 80 ALA CB C 80 21.896 20.739 1.157 1 1 971 . 14 1 1 A 80 80 ALA N N 80 124.099 125.037 -0.938 1 1 972 . 14 1 1 A 81 81 LYS H H 81 8.459 8.743 -0.284 1 1 973 . 14 1 1 A 81 81 LYS HA H 81 5.112 4.812 0.300 1 1 982 . 14 1 1 A 81 81 LYS C C 81 174.781 175.064 -0.283 1 1 983 . 14 1 1 A 81 81 LYS CA C 81 55.283 54.494 0.789 1 1 984 . 14 1 1 A 81 81 LYS CB C 81 36.133 34.603 1.530 1 1 988 . 14 1 1 A 81 81 LYS N N 81 119.796 123.410 -3.614 1 1 989 . 14 1 1 A 82 82 PHE H H 82 8.748 7.858 0.890 1 1 990 . 14 1 1 A 82 82 PHE HA H 82 5.513 5.447 0.066 1 1 998 . 14 1 1 A 82 82 PHE C C 82 174.357 172.654 1.703 1 1 999 . 14 1 1 A 82 82 PHE CA C 82 55.643 56.187 -0.544 1 1 1000 . 14 1 1 A 82 82 PHE CB C 82 42.089 42.271 -0.182 1 1 1006 . 14 1 1 A 82 82 PHE N N 82 119.073 119.897 -0.824 1 1 1007 . 14 1 1 A 83 83 THR H H 83 9.290 8.416 0.874 1 1 1008 . 14 1 1 A 83 83 THR HA H 83 5.032 5.181 -0.149 1 1 1013 . 14 1 1 A 83 83 THR C C 83 173.472 174.186 -0.714 1 1 1014 . 14 1 1 A 83 83 THR CA C 83 62.113 61.420 0.693 1 1 1015 . 14 1 1 A 83 83 THR CB C 83 71.076 70.830 0.246 1 1 1017 . 14 1 1 A 83 83 THR N N 83 116.845 116.029 0.816 1 1 1018 . 14 1 1 A 84 84 LEU H H 84 9.502 9.733 -0.231 1 1 1019 . 14 1 1 A 84 84 LEU HA H 84 4.691 4.731 -0.040 1 1 1029 . 14 1 1 A 84 84 LEU C C 84 174.308 176.233 -1.925 1 1 1030 . 14 1 1 A 84 84 LEU CA C 84 54.224 54.008 0.216 1 1 1031 . 14 1 1 A 84 84 LEU CB C 84 41.636 41.269 0.367 1 1 1035 . 14 1 1 A 84 84 LEU N N 84 125.923 128.224 -2.301 1 1 1036 . 14 1 1 A 85 85 VAL H H 85 8.620 8.619 0.001 1 1 1037 . 14 1 1 A 85 85 VAL HA H 85 4.151 4.397 -0.246 1 1 1045 . 14 1 1 A 85 85 VAL C C 85 174.188 175.476 -1.288 1 1 1046 . 14 1 1 A 85 85 VAL CA C 85 63.649 62.570 1.079 1 1 1047 . 14 1 1 A 85 85 VAL CB C 85 30.861 31.521 -0.660 1 1 1050 . 14 1 1 A 85 85 VAL N N 85 126.007 125.367 0.640 1 1 1051 . 14 1 1 A 86 86 LEU H H 86 8.534 8.685 -0.151 1 1 1052 . 14 1 1 A 86 86 LEU HA H 86 4.853 4.819 0.034 1 1 1062 . 14 1 1 A 86 86 LEU C C 86 174.878 176.651 -1.773 1 1 1063 . 14 1 1 A 86 86 LEU CA C 86 53.183 51.729 1.454 1 1 1064 . 14 1 1 A 86 86 LEU CB C 86 40.485 44.695 -4.210 1 1 1068 . 14 1 1 A 86 86 LEU N N 86 129.551 128.332 1.219 1 1 1069 . 14 1 1 A 87 87 PRO HA H 87 4.221 4.542 -0.321 1 1 1076 . 14 1 1 A 87 87 PRO C C 87 178.223 177.078 1.145 1 1 1077 . 14 1 1 A 87 87 PRO CA C 87 66.455 64.171 2.284 1 1 1078 . 14 1 1 A 87 87 PRO CB C 87 32.260 31.697 0.563 1 1 1081 . 14 1 1 A 88 88 LYS H H 88 8.414 8.211 0.203 1 1 1082 . 14 1 1 A 88 88 LYS HA H 88 4.548 4.393 0.155 1 1 1091 . 14 1 1 A 88 88 LYS C C 88 176.187 176.597 -0.410 1 1 1092 . 14 1 1 A 88 88 LYS CA C 88 55.071 57.013 -1.942 1 1 1093 . 14 1 1 A 88 88 LYS CB C 88 33.534 34.140 -0.606 1 1 1097 . 14 1 1 A 88 88 LYS N N 88 110.404 116.720 -6.316 1 1 1098 . 14 1 1 A 89 89 GLU H H 89 7.208 7.772 -0.564 1 1 1099 . 14 1 1 A 89 89 GLU HA H 89 4.561 4.727 -0.166 1 1 1104 . 14 1 1 A 89 89 GLU C C 89 172.527 174.214 -1.687 1 1 1105 . 14 1 1 A 89 89 GLU CA C 89 56.007 55.721 0.286 1 1 1106 . 14 1 1 A 89 89 GLU CB C 89 33.082 33.566 -0.484 1 1 1108 . 14 1 1 A 89 89 GLU N N 89 116.828 114.886 1.942 1 1 1109 . 14 1 1 A 90 90 GLU H H 90 8.321 8.615 -0.294 1 1 1110 . 14 1 1 A 90 90 GLU HA H 90 5.249 5.408 -0.159 1 1 1115 . 14 1 1 A 90 90 GLU C C 90 176.296 175.749 0.547 1 1 1116 . 14 1 1 A 90 90 GLU CA C 90 54.860 55.755 -0.895 1 1 1117 . 14 1 1 A 90 90 GLU CB C 90 31.972 31.888 0.084 1 1 1119 . 14 1 1 A 90 90 GLU N N 90 119.609 124.497 -4.888 1 1 1120 . 14 1 1 A 91 91 VAL H H 91 8.972 8.498 0.474 1 1 1121 . 14 1 1 A 91 91 VAL HA H 91 4.352 4.655 -0.303 1 1 1129 . 14 1 1 A 91 91 VAL C C 91 174.284 174.645 -0.361 1 1 1130 . 14 1 1 A 91 91 VAL CA C 91 61.284 60.409 0.875 1 1 1131 . 14 1 1 A 91 91 VAL CB C 91 34.891 35.836 -0.945 1 1 1134 . 14 1 1 A 91 91 VAL N N 91 123.947 121.112 2.835 1 1 1135 . 14 1 1 A 92 92 GLN H H 92 8.241 8.345 -0.104 1 1 1136 . 14 1 1 A 92 92 GLN HA H 92 4.930 4.827 0.103 1 1 1143 . 14 1 1 A 92 92 GLN C C 92 174.115 175.332 -1.217 1 1 1144 . 14 1 1 A 92 92 GLN CA C 92 55.583 55.908 -0.325 1 1 1145 . 14 1 1 A 92 92 GLN CB C 92 30.121 30.279 -0.158 1 1 1147 . 14 1 1 A 92 92 GLN N N 92 125.869 126.392 -0.523 1 1 1149 . 14 1 1 A 93 93 LEU H H 93 9.145 8.338 0.807 1 1 1150 . 14 1 1 A 93 93 LEU HA H 93 5.456 5.149 0.307 1 1 1160 . 14 1 1 A 93 93 LEU C C 93 176.256 174.794 1.462 1 1 1161 . 14 1 1 A 93 93 LEU CA C 93 53.801 53.683 0.118 1 1 1162 . 14 1 1 A 93 93 LEU CB C 93 45.913 46.587 -0.674 1 1 1166 . 14 1 1 A 93 93 LEU N N 93 123.952 124.060 -0.108 1 1 1167 . 14 1 1 A 94 94 LYS H H 94 9.255 8.464 0.791 1 1 1168 . 14 1 1 A 94 94 LYS HA H 94 5.452 4.865 0.587 1 1 1177 . 14 1 1 A 94 94 LYS C C 94 174.563 174.490 0.073 1 1 1178 . 14 1 1 A 94 94 LYS CA C 94 54.718 54.503 0.215 1 1 1179 . 14 1 1 A 94 94 LYS CB C 94 36.571 35.717 0.854 1 1 1183 . 14 1 1 A 94 94 LYS N N 94 124.618 124.945 -0.327 1 1 1184 . 14 1 1 A 95 95 THR H H 95 8.582 8.358 0.224 1 1 1185 . 14 1 1 A 95 95 THR HA H 95 4.946 4.836 0.110 1 1 1190 . 14 1 1 A 95 95 THR C C 95 175.278 175.407 -0.129 1 1 1191 . 14 1 1 A 95 95 THR CA C 95 59.908 59.444 0.464 1 1 1192 . 14 1 1 A 95 95 THR CB C 95 70.917 72.044 -1.127 1 1 1194 . 14 1 1 A 95 95 THR N N 95 112.788 116.330 -3.542 1 1 1195 . 14 1 1 A 96 96 GLU H H 96 9.033 8.752 0.281 1 1 1196 . 14 1 1 A 96 96 GLU HA H 96 4.321 4.262 0.059 1 1 1201 . 14 1 1 A 96 96 GLU C C 96 175.435 176.676 -1.241 1 1 1202 . 14 1 1 A 96 96 GLU CA C 96 57.595 58.773 -1.178 1 1 1203 . 14 1 1 A 96 96 GLU CB C 96 30.656 30.721 -0.065 1 1 1205 . 14 1 1 A 96 96 GLU N N 96 117.745 119.664 -1.919 1 1 1206 . 14 1 1 A 97 97 ASN H H 97 7.562 7.982 -0.420 1 1 1207 . 14 1 1 A 97 97 ASN HA H 97 5.074 5.167 -0.093 1 1 1212 . 14 1 1 A 97 97 ASN C C 97 176.575 175.389 1.186 1 1 1213 . 14 1 1 A 97 97 ASN CA C 97 52.195 51.527 0.668 1 1 1214 . 14 1 1 A 97 97 ASN CB C 97 40.485 42.467 -1.982 1 1 1215 . 14 1 1 A 97 97 ASN N N 97 110.462 115.924 -5.462 1 1 1217 . 14 1 1 A 98 98 THR HA H 98 3.916 3.871 0.045 1 1 1222 . 14 1 1 A 98 98 THR C C 98 176.938 176.156 0.782 1 1 1223 . 14 1 1 A 98 98 THR CA C 98 66.349 66.410 -0.061 1 1 1224 . 14 1 1 A 98 98 THR CB C 98 68.638 68.973 -0.335 1 1 1226 . 14 1 1 A 99 99 GLU H H 99 9.316 8.325 0.991 1 1 1227 . 14 1 1 A 99 99 GLU HA H 99 4.221 4.141 0.080 1 1 1232 . 14 1 1 A 99 99 GLU C C 99 179.241 179.118 0.123 1 1 1233 . 14 1 1 A 99 99 GLU CA C 99 60.754 59.200 1.554 1 1 1234 . 14 1 1 A 99 99 GLU CB C 99 28.764 29.427 -0.663 1 1 1236 . 14 1 1 A 99 99 GLU N N 99 125.868 119.908 5.960 1 1 1237 . 14 1 1 A 100 100 SER H H 100 8.739 8.449 0.290 1 1 1238 . 14 1 1 A 100 100 SER HA H 100 4.863 4.363 0.500 1 1 1241 . 14 1 1 A 100 100 SER C C 100 177.411 177.245 0.166 1 1 1242 . 14 1 1 A 100 100 SER CA C 100 61.037 62.781 -1.744 1 1 1243 . 14 1 1 A 100 100 SER CB C 100 63.879 63.271 0.608 1 1 1244 . 14 1 1 A 100 100 SER N N 100 114.755 116.474 -1.719 1 1 1245 . 14 1 1 A 101 101 GLY H H 101 7.879 8.624 -0.745 1 1 1246 . 14 1 1 A 101 101 GLY HA2 H 101 4.139 3.920 0.219 1 1 1247 . 14 1 1 A 101 101 GLY HA3 H 101 4.012 4.040 -0.028 1 1 1248 . 14 1 1 A 101 101 GLY C C 101 174.611 176.163 -1.552 1 1 1249 . 14 1 1 A 101 101 GLY CA C 101 48.948 47.696 1.252 1 1 1250 . 14 1 1 A 101 101 GLY N N 101 108.940 110.111 -1.171 1 1 1251 . 14 1 1 A 102 102 GLU H H 102 7.801 8.661 -0.860 1 1 1252 . 14 1 1 A 102 102 GLU HA H 102 4.171 4.074 0.097 1 1 1257 . 14 1 1 A 102 102 GLU C C 102 179.084 178.599 0.485 1 1 1258 . 14 1 1 A 102 102 GLU CA C 102 58.601 59.408 -0.807 1 1 1259 . 14 1 1 A 102 102 GLU CB C 102 29.627 29.506 0.121 1 1 1261 . 14 1 1 A 102 102 GLU N N 102 120.720 121.495 -0.775 1 1 1262 . 14 1 1 A 103 103 GLU H H 103 7.781 8.120 -0.339 1 1 1263 . 14 1 1 A 103 103 GLU HA H 103 3.739 3.781 -0.042 1 1 1268 . 14 1 1 A 103 103 GLU C C 103 178.235 179.098 -0.863 1 1 1269 . 14 1 1 A 103 103 GLU CA C 103 60.366 59.190 1.176 1 1 1270 . 14 1 1 A 103 103 GLU CB C 103 30.491 29.294 1.197 1 1 1272 . 14 1 1 A 103 103 GLU N N 103 119.068 119.482 -0.414 1 1 1273 . 14 1 1 A 104 104 TRP H H 104 8.761 8.358 0.403 1 1 1274 . 14 1 1 A 104 104 TRP HA H 104 4.171 4.733 -0.562 1 1 1283 . 14 1 1 A 104 104 TRP C C 104 178.817 178.821 -0.004 1 1 1284 . 14 1 1 A 104 104 TRP CA C 104 62.290 60.950 1.340 1 1 1285 . 14 1 1 A 104 104 TRP CB C 104 29.340 29.474 -0.134 1 1 1291 . 14 1 1 A 104 104 TRP N N 104 118.358 120.895 -2.537 1 1 1293 . 14 1 1 A 105 105 ARG H H 105 8.400 8.874 -0.474 1 1 1294 . 14 1 1 A 105 105 ARG HA H 105 3.481 3.774 -0.293 1 1 1302 . 14 1 1 A 105 105 ARG C C 105 177.666 179.094 -1.428 1 1 1303 . 14 1 1 A 105 105 ARG CA C 105 60.666 59.582 1.084 1 1 1304 . 14 1 1 A 105 105 ARG CB C 105 30.162 30.148 0.014 1 1 1307 . 14 1 1 A 105 105 ARG N N 105 117.098 119.754 -2.656 1 1 1309 . 14 1 1 A 106 106 GLY H H 106 8.202 8.958 -0.756 1 1 1310 . 14 1 1 A 106 106 GLY HA2 H 106 3.470 3.567 -0.097 1 1 1311 . 14 1 1 A 106 106 GLY HA3 H 106 3.382 3.623 -0.241 1 1 1312 . 14 1 1 A 106 106 GLY C C 106 176.162 176.602 -0.440 1 1 1313 . 14 1 1 A 106 106 GLY CA C 106 47.554 47.190 0.364 1 1 1314 . 14 1 1 A 106 106 GLY N N 106 104.212 107.061 -2.849 1 1 1315 . 14 1 1 A 107 107 PHE H H 107 8.491 9.096 -0.605 1 1 1316 . 14 1 1 A 107 107 PHE HA H 107 3.722 4.530 -0.808 1 1 1324 . 14 1 1 A 107 107 PHE C C 107 177.265 178.141 -0.876 1 1 1325 . 14 1 1 A 107 107 PHE CA C 107 64.284 59.385 4.899 1 1 1326 . 14 1 1 A 107 107 PHE CB C 107 39.209 38.287 0.922 1 1 1332 . 14 1 1 A 107 107 PHE N N 107 122.710 120.874 1.836 1 1 1333 . 14 1 1 A 108 108 ILE H H 108 8.674 9.490 -0.816 1 1 1334 . 14 1 1 A 108 108 ILE HA H 108 3.523 3.768 -0.245 1 1 1344 . 14 1 1 A 108 108 ILE C C 108 178.623 178.195 0.428 1 1 1345 . 14 1 1 A 108 108 ILE CA C 108 66.384 64.949 1.435 1 1 1346 . 14 1 1 A 108 108 ILE CB C 108 37.852 38.023 -0.171 1 1 1350 . 14 1 1 A 108 108 ILE N N 108 117.395 120.329 -2.934 1 1 1351 . 14 1 1 A 109 109 LEU H H 109 8.378 8.380 -0.002 1 1 1352 . 14 1 1 A 109 109 LEU HA H 109 4.032 4.330 -0.298 1 1 1362 . 14 1 1 A 109 109 LEU C C 109 178.635 179.669 -1.034 1 1 1363 . 14 1 1 A 109 109 LEU CA C 109 57.878 57.670 0.208 1 1 1364 . 14 1 1 A 109 109 LEU CB C 109 40.854 41.568 -0.714 1 1 1368 . 14 1 1 A 109 109 LEU N N 109 118.573 119.093 -0.520 1 1 1369 . 14 1 1 A 110 110 THR H H 110 7.600 7.662 -0.062 1 1 1370 . 14 1 1 A 110 110 THR HA H 110 4.110 4.570 -0.460 1 1 1375 . 14 1 1 A 110 110 THR C C 110 177.265 175.856 1.409 1 1 1376 . 14 1 1 A 110 110 THR CA C 110 68.325 66.028 2.297 1 1 1377 . 14 1 1 A 110 110 THR CB C 110 68.230 69.192 -0.962 1 1 1379 . 14 1 1 A 110 110 THR N N 110 115.926 115.076 0.850 1 1 1380 . 14 1 1 A 111 111 VAL H H 111 7.490 7.840 -0.350 1 1 1381 . 14 1 1 A 111 111 VAL HA H 111 3.912 4.139 -0.227 1 1 1389 . 14 1 1 A 111 111 VAL C C 111 174.793 176.690 -1.897 1 1 1390 . 14 1 1 A 111 111 VAL CA C 111 64.601 61.162 3.439 1 1 1391 . 14 1 1 A 111 111 VAL CB C 111 32.007 31.648 0.359 1 1 1394 . 14 1 1 A 111 111 VAL N N 111 109.123 115.654 -6.531 1 1 1395 . 14 1 1 A 112 112 THR H H 112 7.410 7.711 -0.301 1 1 1396 . 14 1 1 A 112 112 THR HA H 112 4.494 4.596 -0.102 1 1 1401 . 14 1 1 A 112 112 THR C C 112 177.265 175.451 1.814 1 1 1402 . 14 1 1 A 112 112 THR CA C 112 62.784 62.141 0.643 1 1 1403 . 14 1 1 A 112 112 THR CB C 112 69.290 70.335 -1.045 1 1 1405 . 14 1 1 A 112 112 THR N N 112 107.046 112.479 -5.433 1 1 1406 . 14 1 1 A 113 113 GLU H H 113 8.541 8.337 0.204 1 1 1407 . 14 1 1 A 113 113 GLU HA H 113 4.280 4.325 -0.045 1 1 1412 . 14 1 1 A 113 113 GLU C C 113 176.745 175.860 0.885 1 1 1413 . 14 1 1 A 113 113 GLU CA C 113 57.048 56.494 0.554 1 1 1414 . 14 1 1 A 113 113 GLU CB C 113 29.422 30.347 -0.925 1 1 1416 . 14 1 1 A 113 113 GLU N N 113 120.888 120.433 0.455 1 1 1417 . 14 1 1 A 114 114 LEU H H 114 7.561 7.935 -0.374 1 1 1418 . 14 1 1 A 114 114 LEU HA H 114 4.042 4.203 -0.161 1 1 1428 . 14 1 1 A 114 114 LEU C C 114 175.569 175.587 -0.018 1 1 1429 . 14 1 1 A 114 114 LEU CA C 114 55.213 56.227 -1.014 1 1 1430 . 14 1 1 A 114 114 LEU CB C 114 38.182 40.654 -2.472 1 1 1434 . 14 1 1 A 114 114 LEU N N 114 114.453 119.151 -4.698 1 1 1435 . 14 1 1 A 115 115 SER H H 115 7.113 7.656 -0.543 1 1 1436 . 14 1 1 A 115 115 SER HA H 115 4.315 4.731 -0.416 1 1 1439 . 14 1 1 A 115 115 SER C C 115 173.521 172.014 1.507 1 1 1440 . 14 1 1 A 115 115 SER CA C 115 57.454 55.802 1.652 1 1 1441 . 14 1 1 A 115 115 SER CB C 115 64.505 64.955 -0.450 1 1 1442 . 14 1 1 A 115 115 SER N N 115 110.010 112.749 -2.739 1 1 1443 . 14 1 1 A 116 116 VAL H H 116 8.635 8.485 0.150 1 1 1444 . 14 1 1 A 116 116 VAL HA H 116 4.210 4.428 -0.218 1 1 1452 . 14 1 1 A 116 116 VAL C C 116 175.024 174.088 0.936 1 1 1453 . 14 1 1 A 116 116 VAL CA C 116 60.948 58.814 2.134 1 1 1454 . 14 1 1 A 116 116 VAL CB C 116 32.177 34.982 -2.805 1 1 1457 . 14 1 1 A 116 116 VAL N N 116 129.442 120.942 8.500 1 1 1458 . 14 1 1 A 117 117 PRO HA H 117 4.381 4.689 -0.308 1 1 1465 . 14 1 1 A 117 117 PRO C C 117 176.478 177.415 -0.937 1 1 1466 . 14 1 1 A 117 117 PRO CA C 117 62.678 62.520 0.158 1 1 1467 . 14 1 1 A 117 117 PRO CB C 117 31.931 31.790 0.141 1 1 1470 . 14 1 1 A 118 118 GLN H H 118 8.576 8.772 -0.196 1 1 1471 . 14 1 1 A 118 118 GLN HA H 118 4.282 4.117 0.165 1 1 1478 . 14 1 1 A 118 118 GLN C C 118 176.575 176.667 -0.092 1 1 1479 . 14 1 1 A 118 118 GLN CA C 118 55.866 57.172 -1.306 1 1 1480 . 14 1 1 A 118 118 GLN CB C 118 29.704 28.930 0.774 1 1 1482 . 14 1 1 A 118 118 GLN N N 118 118.498 121.467 -2.969 1 1 1484 . 14 1 1 A 119 119 ASN H H 119 8.444 7.770 0.674 1 1 1485 . 14 1 1 A 119 119 ASN HA H 119 4.727 4.845 -0.118 1 1 1490 . 14 1 1 A 119 119 ASN C C 119 174.842 173.688 1.154 1 1 1491 . 14 1 1 A 119 119 ASN CA C 119 52.812 52.600 0.212 1 1 1492 . 14 1 1 A 119 119 ASN CB C 119 37.071 36.695 0.376 1 1 1493 . 14 1 1 A 119 119 ASN N N 119 117.223 116.273 0.950 1 1 1495 . 14 1 1 A 120 120 VAL H H 120 7.182 7.638 -0.456 1 1 1496 . 14 1 1 A 120 120 VAL HA H 120 4.381 5.140 -0.759 1 1 1504 . 14 1 1 A 120 120 VAL C C 120 175.484 175.731 -0.247 1 1 1505 . 14 1 1 A 120 120 VAL CA C 120 60.048 58.926 1.122 1 1 1506 . 14 1 1 A 120 120 VAL CB C 120 34.028 35.016 -0.988 1 1 1509 . 14 1 1 A 120 120 VAL N N 120 114.038 117.865 -3.827 1 1 1510 . 14 1 1 A 121 121 SER H H 121 9.313 8.506 0.807 1 1 1511 . 14 1 1 A 121 121 SER HA H 121 4.552 4.487 0.065 1 1 1514 . 14 1 1 A 121 121 SER C C 121 173.096 174.747 -1.651 1 1 1515 . 14 1 1 A 121 121 SER CA C 121 57.119 59.814 -2.695 1 1 1516 . 14 1 1 A 121 121 SER CB C 121 62.528 63.967 -1.439 1 1 1517 . 14 1 1 A 121 121 SER N N 121 122.117 116.936 5.181 1 1 1518 . 14 1 1 A 122 122 LEU H H 122 7.470 7.326 0.144 1 1 1519 . 14 1 1 A 122 122 LEU HA H 122 4.618 4.218 0.400 1 1 1529 . 14 1 1 A 122 122 LEU C C 122 176.526 176.862 -0.336 1 1 1530 . 14 1 1 A 122 122 LEU CA C 122 52.795 55.244 -2.449 1 1 1531 . 14 1 1 A 122 122 LEU CB C 122 45.790 42.219 3.571 1 1 1535 . 14 1 1 A 122 122 LEU N N 122 122.878 124.348 -1.470 1 1 1536 . 14 1 1 A 123 123 LEU H H 123 8.765 8.361 0.404 1 1 1537 . 14 1 1 A 123 123 LEU HA H 123 4.574 4.716 -0.142 1 1 1547 . 14 1 1 A 123 123 LEU C C 123 176.769 177.180 -0.411 1 1 1548 . 14 1 1 A 123 123 LEU CA C 123 53.748 52.513 1.235 1 1 1549 . 14 1 1 A 123 123 LEU CB C 123 40.649 43.054 -2.405 1 1 1553 . 14 1 1 A 123 123 LEU N N 123 122.054 122.042 0.012 1 1 1554 . 14 1 1 A 124 124 PRO HA H 124 4.232 4.478 -0.246 1 1 1561 . 14 1 1 A 124 124 PRO CA C 124 66.281 64.332 1.949 1 1 1562 . 14 1 1 A 124 124 PRO CB C 124 31.945 31.793 0.152 1 1 1565 . 14 1 1 A 125 125 GLY HA2 H 125 3.901 3.892 0.009 1 1 1566 . 14 1 1 A 125 125 GLY HA3 H 125 3.901 3.894 0.007 1 1 1567 . 14 1 1 A 125 125 GLY C C 125 176.696 174.924 1.772 1 1 1568 . 14 1 1 A 125 125 GLY CA C 125 46.724 46.058 0.666 1 1 1569 . 14 1 1 A 126 126 GLN H H 126 7.495 7.902 -0.407 1 1 1570 . 14 1 1 A 126 126 GLN HA H 126 4.261 4.205 0.056 1 1 1577 . 14 1 1 A 126 126 GLN C C 126 178.235 178.116 0.119 1 1 1578 . 14 1 1 A 126 126 GLN CA C 126 57.807 58.386 -0.579 1 1 1579 . 14 1 1 A 126 126 GLN CB C 126 30.039 29.078 0.961 1 1 1581 . 14 1 1 A 126 126 GLN N N 126 120.404 120.005 0.399 1 1 1583 . 14 1 1 A 127 127 VAL H H 127 7.839 7.773 0.066 1 1 1584 . 14 1 1 A 127 127 VAL HA H 127 3.360 3.529 -0.169 1 1 1592 . 14 1 1 A 127 127 VAL C C 127 178.441 178.301 0.140 1 1 1593 . 14 1 1 A 127 127 VAL CA C 127 67.231 65.531 1.700 1 1 1594 . 14 1 1 A 127 127 VAL CB C 127 31.948 31.552 0.396 1 1 1597 . 14 1 1 A 127 127 VAL N N 127 121.180 120.529 0.651 1 1 1598 . 14 1 1 A 128 128 ILE H H 128 7.725 8.328 -0.603 1 1 1599 . 14 1 1 A 128 128 ILE HA H 128 3.820 3.641 0.179 1 1 1609 . 14 1 1 A 128 128 ILE C C 128 178.599 177.671 0.928 1 1 1610 . 14 1 1 A 128 128 ILE CA C 128 64.978 65.540 -0.562 1 1 1611 . 14 1 1 A 128 128 ILE CB C 128 37.976 37.653 0.323 1 1 1615 . 14 1 1 A 128 128 ILE N N 128 119.369 121.680 -2.311 1 1 1616 . 14 1 1 A 129 129 LYS H H 129 7.204 7.918 -0.714 1 1 1617 . 14 1 1 A 129 129 LYS HA H 129 4.241 4.010 0.231 1 1 1626 . 14 1 1 A 129 129 LYS C C 129 178.902 178.603 0.299 1 1 1627 . 14 1 1 A 129 129 LYS CA C 129 58.690 59.831 -1.141 1 1 1628 . 14 1 1 A 129 129 LYS CB C 129 31.725 32.575 -0.850 1 1 1632 . 14 1 1 A 129 129 LYS N N 129 119.356 120.843 -1.487 1 1 1633 . 14 1 1 A 130 130 LEU H H 130 7.750 7.455 0.295 1 1 1634 . 14 1 1 A 130 130 LEU HA H 130 3.649 3.854 -0.205 1 1 1644 . 14 1 1 A 130 130 LEU C C 130 178.756 178.741 0.015 1 1 1645 . 14 1 1 A 130 130 LEU CA C 130 57.913 57.971 -0.058 1 1 1646 . 14 1 1 A 130 130 LEU CB C 130 40.197 41.652 -1.455 1 1 1650 . 14 1 1 A 130 130 LEU N N 130 118.271 119.579 -1.308 1 1 1651 . 14 1 1 A 131 131 HIS H H 131 7.732 8.111 -0.379 1 1 1652 . 14 1 1 A 131 131 HIS HA H 131 3.918 4.278 -0.360 1 1 1657 . 14 1 1 A 131 131 HIS C C 131 178.392 177.662 0.730 1 1 1658 . 14 1 1 A 131 131 HIS CA C 131 61.019 59.435 1.584 1 1 1659 . 14 1 1 A 131 131 HIS CB C 131 29.951 29.937 0.014 1 1 1662 . 14 1 1 A 131 131 HIS N N 131 117.308 116.644 0.664 1 1 1663 . 14 1 1 A 132 132 GLU H H 132 8.030 8.096 -0.066 1 1 1664 . 14 1 1 A 132 132 GLU HA H 132 4.097 3.957 0.140 1 1 1669 . 14 1 1 A 132 132 GLU C C 132 179.907 179.386 0.521 1 1 1670 . 14 1 1 A 132 132 GLU CA C 132 59.660 59.428 0.232 1 1 1671 . 14 1 1 A 132 132 GLU CB C 132 29.627 29.432 0.195 1 1 1673 . 14 1 1 A 132 132 GLU N N 132 121.443 118.770 2.673 1 1 1674 . 14 1 1 A 133 133 VAL H H 133 8.250 8.184 0.066 1 1 1675 . 14 1 1 A 133 133 VAL HA H 133 3.352 3.271 0.081 1 1 1683 . 14 1 1 A 133 133 VAL C C 133 176.575 177.606 -1.031 1 1 1684 . 14 1 1 A 133 133 VAL CA C 133 66.367 66.338 0.029 1 1 1685 . 14 1 1 A 133 133 VAL CB C 133 31.203 31.313 -0.110 1 1 1688 . 14 1 1 A 133 133 VAL N N 133 121.281 120.190 1.091 1 1 1689 . 14 1 1 A 134 134 LEU H H 134 8.259 9.037 -0.778 1 1 1690 . 14 1 1 A 134 134 LEU HA H 134 3.645 3.861 -0.216 1 1 1700 . 14 1 1 A 134 134 LEU C C 134 177.980 178.229 -0.249 1 1 1701 . 14 1 1 A 134 134 LEU CA C 134 58.154 58.689 -0.535 1 1 1702 . 14 1 1 A 134 134 LEU CB C 134 40.320 41.953 -1.633 1 1 1706 . 14 1 1 A 134 134 LEU N N 134 120.134 120.315 -0.181 1 1 1707 . 14 1 1 A 135 135 GLU H H 135 7.611 8.367 -0.756 1 1 1708 . 14 1 1 A 135 135 GLU HA H 135 3.972 3.938 0.034 1 1 1713 . 14 1 1 A 135 135 GLU C C 135 179.834 179.210 0.624 1 1 1714 . 14 1 1 A 135 135 GLU CA C 135 59.325 59.714 -0.389 1 1 1715 . 14 1 1 A 135 135 GLU CB C 135 29.134 29.416 -0.282 1 1 1717 . 14 1 1 A 135 135 GLU N N 135 116.026 117.777 -1.751 1 1 1718 . 14 1 1 A 136 136 ARG H H 136 7.789 8.235 -0.446 1 1 1719 . 14 1 1 A 136 136 ARG HA H 136 4.140 4.120 0.020 1 1 1726 . 14 1 1 A 136 136 ARG C C 136 179.083 179.282 -0.199 1 1 1727 . 14 1 1 A 136 136 ARG CA C 136 59.131 59.517 -0.386 1 1 1728 . 14 1 1 A 136 136 ARG CB C 136 30.368 30.342 0.026 1 1 1731 . 14 1 1 A 136 136 ARG N N 136 119.681 120.227 -0.546 1 1 1732 . 14 1 1 A 137 137 GLU H H 137 9.238 8.546 0.692 1 1 1733 . 14 1 1 A 137 137 GLU HA H 137 4.637 4.187 0.450 1 1 1738 . 14 1 1 A 137 137 GLU C C 137 178.817 178.766 0.051 1 1 1739 . 14 1 1 A 137 137 GLU CA C 137 58.036 59.202 -1.166 1 1 1740 . 14 1 1 A 137 137 GLU CB C 137 28.147 28.579 -0.432 1 1 1742 . 14 1 1 A 137 137 GLU N N 137 124.333 118.224 6.109 1 1 1743 . 14 1 1 A 138 138 LYS H H 138 8.788 8.447 0.341 1 1 1744 . 14 1 1 A 138 138 LYS HA H 138 3.899 3.994 -0.095 1 1 1753 . 14 1 1 A 138 138 LYS C C 138 179.944 179.376 0.568 1 1 1754 . 14 1 1 A 138 138 LYS CA C 138 60.754 59.665 1.089 1 1 1755 . 14 1 1 A 138 138 LYS CB C 138 32.789 32.345 0.444 1 1 1759 . 14 1 1 A 138 138 LYS N N 138 119.622 119.930 -0.308 1 1 1760 . 14 1 1 A 139 139 LYS H H 139 7.313 7.766 -0.453 1 1 1761 . 14 1 1 A 139 139 LYS HA H 139 4.070 3.905 0.165 1 1 1770 . 14 1 1 A 139 139 LYS C C 139 178.235 178.897 -0.662 1 1 1771 . 14 1 1 A 139 139 LYS CA C 139 59.166 59.954 -0.788 1 1 1772 . 14 1 1 A 139 139 LYS CB C 139 32.424 32.249 0.175 1 1 1776 . 14 1 1 A 139 139 LYS N N 139 117.326 119.422 -2.096 1 1 1777 . 14 1 1 A 140 140 ARG H H 140 8.344 8.104 0.240 1 1 1778 . 14 1 1 A 140 140 ARG HA H 140 4.080 3.982 0.098 1 1 1786 . 14 1 1 A 140 140 ARG C C 140 179.531 178.487 1.044 1 1 1787 . 14 1 1 A 140 140 ARG CA C 140 59.184 59.849 -0.665 1 1 1788 . 14 1 1 A 140 140 ARG CB C 140 31.190 30.047 1.143 1 1 1791 . 14 1 1 A 140 140 ARG N N 140 121.404 119.461 1.943 1 1 1793 . 14 1 1 A 141 141 ARG H H 141 8.171 8.034 0.137 1 1 1794 . 14 1 1 A 141 141 ARG HA H 141 4.034 4.015 0.019 1 1 1802 . 14 1 1 A 141 141 ARG C C 141 178.671 178.551 0.120 1 1 1803 . 14 1 1 A 141 141 ARG CA C 141 58.337 59.103 -0.766 1 1 1804 . 14 1 1 A 141 141 ARG CB C 141 30.327 30.032 0.295 1 1 1807 . 14 1 1 A 141 141 ARG N N 141 115.667 118.211 -2.544 1 1 1809 . 14 1 1 A 142 142 ILE H H 142 7.521 8.883 -1.362 1 1 1810 . 14 1 1 A 142 142 ILE HA H 142 4.074 3.749 0.325 1 1 1820 . 14 1 1 A 142 142 ILE C C 142 177.787 176.898 0.889 1 1 1821 . 14 1 1 A 142 142 ILE CA C 142 63.178 64.926 -1.748 1 1 1822 . 14 1 1 A 142 142 ILE CB C 142 38.346 37.843 0.503 1 1 1826 . 14 1 1 A 142 142 ILE N N 142 118.031 119.780 -1.749 1 1 1827 . 14 1 1 A 143 143 GLU H H 143 8.041 8.184 -0.143 1 1 1828 . 14 1 1 A 143 143 GLU HA H 143 4.251 4.551 -0.300 1 1 1833 . 14 1 1 A 143 143 GLU C C 143 177.217 176.081 1.136 1 1 1834 . 14 1 1 A 143 143 GLU CA C 143 57.595 55.457 2.138 1 1 1835 . 14 1 1 A 143 143 GLU CB C 143 29.998 27.737 2.261 1 1 1837 . 14 1 1 A 143 143 GLU N N 143 120.963 120.140 0.823 1 1 1838 . 14 1 1 A 144 144 SER H H 144 8.041 8.420 -0.379 1 1 1839 . 14 1 1 A 144 144 SER HA H 144 4.538 4.670 -0.132 1 1 1842 . 14 1 1 A 144 144 SER C C 144 174.721 174.128 0.593 1 1 1843 . 14 1 1 A 144 144 SER CA C 144 58.801 59.833 -1.032 1 1 1844 . 14 1 1 A 144 144 SER CB C 144 64.126 65.795 -1.669 1 1 1845 . 14 1 1 A 144 144 SER N N 144 114.646 120.160 -5.514 1 1 1846 . 14 1 1 A 145 145 GLY H H 145 7.982 7.393 0.589 1 1 1847 . 14 1 1 A 145 145 GLY HA2 H 145 4.102 4.043 0.059 1 1 1848 . 14 1 1 A 145 145 GLY HA3 H 145 4.231 4.043 0.188 1 1 1849 . 14 1 1 A 145 145 GLY C C 145 171.800 172.556 -0.756 1 1 1850 . 14 1 1 A 145 145 GLY CA C 145 44.854 44.437 0.417 1 1 1851 . 14 1 1 A 145 145 GLY N N 145 110.299 106.809 3.490 1 1 1852 . 14 1 1 A 146 146 PRO HA H 146 4.510 4.809 -0.299 1 1 1859 . 14 1 1 A 146 146 PRO C C 146 177.496 175.878 1.618 1 1 1860 . 14 1 1 A 146 146 PRO CA C 146 63.313 62.681 0.632 1 1 1861 . 14 1 1 A 146 146 PRO CB C 146 32.177 31.737 0.440 1 1 1864 . 14 1 1 A 147 147 SER H H 147 8.530 8.810 -0.280 1 1 1865 . 14 1 1 A 147 147 SER C C 147 174.721 173.439 1.282 1 1 1866 . 14 1 1 A 147 147 SER CA C 147 58.390 57.954 0.436 1 1 1867 . 14 1 1 A 147 147 SER CB C 147 63.803 65.024 -1.221 1 1 1868 . 14 1 1 A 147 147 SER N N 147 116.436 121.134 -4.698 1 1 1869 . 14 1 1 A 148 148 SER H H 148 8.348 9.043 -0.695 1 1 1870 . 14 1 1 A 148 148 SER C C 148 173.957 174.717 -0.760 1 1 1871 . 14 1 1 A 148 148 SER CA C 148 58.372 57.354 1.018 1 1 1872 . 14 1 1 A 148 148 SER CB C 148 64.008 66.192 -2.184 1 1 1 . 15 1 1 A 8 8 GLN HA H 8 4.221 4.821 -0.600 1 1 8 . 15 1 1 A 8 8 GLN CA C 8 56.851 55.697 1.154 1 1 9 . 15 1 1 A 8 8 GLN CB C 8 28.887 29.953 -1.066 1 1 12 . 15 1 1 A 9 9 GLU H H 9 8.480 8.759 -0.279 1 1 13 . 15 1 1 A 9 9 GLU HA H 9 4.166 4.463 -0.297 1 1 18 . 15 1 1 A 9 9 GLU CA C 9 58.333 56.662 1.671 1 1 19 . 15 1 1 A 9 9 GLU CB C 9 29.545 31.266 -1.721 1 1 21 . 15 1 1 A 9 9 GLU N N 9 121.149 122.701 -1.552 1 1 22 . 15 1 1 A 10 10 ARG H H 10 8.336 7.991 0.345 1 1 23 . 15 1 1 A 10 10 ARG HA H 10 4.131 4.038 0.093 1 1 30 . 15 1 1 A 10 10 ARG C C 10 177.350 175.537 1.813 1 1 31 . 15 1 1 A 10 10 ARG CA C 10 57.731 56.440 1.291 1 1 32 . 15 1 1 A 10 10 ARG CB C 10 30.061 29.104 0.957 1 1 35 . 15 1 1 A 10 10 ARG N N 10 120.177 116.624 3.553 1 1 36 . 15 1 1 A 11 11 LEU H H 11 7.741 8.352 -0.611 1 1 37 . 15 1 1 A 11 11 LEU HA H 11 4.219 4.419 -0.200 1 1 44 . 15 1 1 A 11 11 LEU CA C 11 56.781 54.392 2.389 1 1 45 . 15 1 1 A 11 11 LEU CB C 11 41.875 42.468 -0.593 1 1 49 . 15 1 1 A 11 11 LEU N N 11 120.410 123.681 -3.271 1 1 50 . 15 1 1 A 12 12 LYS H H 12 7.816 8.416 -0.600 1 1 51 . 15 1 1 A 12 12 LYS HA H 12 4.091 4.750 -0.659 1 1 60 . 15 1 1 A 12 12 LYS CA C 12 58.234 55.229 3.005 1 1 61 . 15 1 1 A 12 12 LYS CB C 12 32.530 32.598 -0.068 1 1 65 . 15 1 1 A 12 12 LYS N N 12 119.365 119.036 0.329 1 1 66 . 15 1 1 A 13 13 ILE H H 13 7.851 8.501 -0.650 1 1 67 . 15 1 1 A 13 13 ILE HA H 13 3.951 4.830 -0.879 1 1 77 . 15 1 1 A 13 13 ILE C C 13 176.914 175.003 1.911 1 1 78 . 15 1 1 A 13 13 ILE CA C 13 62.713 59.805 2.908 1 1 79 . 15 1 1 A 13 13 ILE CB C 13 38.264 41.290 -3.026 1 1 83 . 15 1 1 A 14 14 THR H H 14 7.750 8.689 -0.939 1 1 84 . 15 1 1 A 14 14 THR HA H 14 4.021 4.722 -0.701 1 1 88 . 15 1 1 A 14 14 THR C C 14 174.818 173.154 1.664 1 1 89 . 15 1 1 A 14 14 THR CA C 14 63.172 62.024 1.148 1 1 90 . 15 1 1 A 14 14 THR CB C 14 68.985 67.681 1.304 1 1 92 . 15 1 1 A 14 14 THR N N 14 110.999 123.094 -12.095 1 1 93 . 15 1 1 A 15 15 ALA H H 15 7.922 8.499 -0.577 1 1 94 . 15 1 1 A 15 15 ALA HA H 15 4.141 4.738 -0.597 1 1 98 . 15 1 1 A 15 15 ALA C C 15 177.593 176.321 1.272 1 1 99 . 15 1 1 A 15 15 ALA CA C 15 53.007 50.892 2.115 1 1 100 . 15 1 1 A 15 15 ALA CB C 15 18.747 23.129 -4.382 1 1 101 . 15 1 1 A 15 15 ALA N N 15 122.429 128.172 -5.743 1 1 102 . 15 1 1 A 16 16 LEU H H 16 7.442 8.496 -1.054 1 1 103 . 15 1 1 A 16 16 LEU HA H 16 4.653 4.298 0.355 1 1 112 . 15 1 1 A 16 16 LEU C C 16 173.182 174.824 -1.642 1 1 113 . 15 1 1 A 16 16 LEU CA C 16 51.524 53.907 -2.383 1 1 114 . 15 1 1 A 16 16 LEU CB C 16 45.831 41.548 4.283 1 1 118 . 15 1 1 A 16 16 LEU N N 16 120.226 121.196 -0.970 1 1 119 . 15 1 1 A 17 17 PRO HA H 17 4.140 4.628 -0.488 1 1 126 . 15 1 1 A 17 17 PRO C C 17 174.296 176.125 -1.829 1 1 127 . 15 1 1 A 17 17 PRO CA C 17 62.007 62.241 -0.234 1 1 128 . 15 1 1 A 17 17 PRO CB C 17 32.013 31.578 0.435 1 1 131 . 15 1 1 A 18 18 LEU H H 18 8.071 8.163 -0.092 1 1 132 . 15 1 1 A 18 18 LEU HA H 18 4.097 4.196 -0.099 1 1 142 . 15 1 1 A 18 18 LEU C C 18 176.974 175.313 1.661 1 1 143 . 15 1 1 A 18 18 LEU CA C 18 55.043 55.625 -0.582 1 1 144 . 15 1 1 A 18 18 LEU CB C 18 42.376 42.196 0.180 1 1 148 . 15 1 1 A 18 18 LEU N N 18 119.963 123.516 -3.553 1 1 149 . 15 1 1 A 19 19 TYR H H 19 9.108 8.914 0.194 1 1 150 . 15 1 1 A 19 19 TYR HA H 19 5.121 4.821 0.300 1 1 157 . 15 1 1 A 19 19 TYR C C 19 174.515 175.672 -1.157 1 1 158 . 15 1 1 A 19 19 TYR CA C 19 55.160 59.044 -3.884 1 1 159 . 15 1 1 A 19 19 TYR CB C 19 39.292 41.057 -1.765 1 1 164 . 15 1 1 A 19 19 TYR N N 19 127.955 124.038 3.917 1 1 165 . 15 1 1 A 20 20 PHE H H 20 7.560 6.935 0.625 1 1 166 . 15 1 1 A 20 20 PHE HA H 20 4.281 4.544 -0.263 1 1 174 . 15 1 1 A 20 20 PHE C C 20 171.170 173.023 -1.853 1 1 175 . 15 1 1 A 20 20 PHE CA C 20 57.031 57.763 -0.732 1 1 176 . 15 1 1 A 20 20 PHE CB C 20 40.937 41.271 -0.334 1 1 182 . 15 1 1 A 20 20 PHE N N 20 115.328 116.667 -1.339 1 1 183 . 15 1 1 A 21 21 GLU H H 21 5.556 7.976 -2.420 1 1 184 . 15 1 1 A 21 21 GLU HA H 21 5.191 4.732 0.459 1 1 189 . 15 1 1 A 21 21 GLU C C 21 173.024 174.033 -1.009 1 1 190 . 15 1 1 A 21 21 GLU CA C 21 53.025 53.736 -0.711 1 1 191 . 15 1 1 A 21 21 GLU CB C 21 31.760 33.531 -1.771 1 1 193 . 15 1 1 A 21 21 GLU N N 21 118.643 121.918 -3.275 1 1 194 . 15 1 1 A 22 22 GLY H H 22 7.721 7.377 0.344 1 1 195 . 15 1 1 A 22 22 GLY HA2 H 22 4.024 3.923 0.101 1 1 196 . 15 1 1 A 22 22 GLY HA3 H 22 3.107 4.006 -0.899 1 1 197 . 15 1 1 A 22 22 GLY C C 22 171.994 172.335 -0.341 1 1 198 . 15 1 1 A 22 22 GLY CA C 22 45.013 45.544 -0.531 1 1 199 . 15 1 1 A 22 22 GLY N N 22 106.155 106.099 0.056 1 1 200 . 15 1 1 A 23 23 PHE H H 23 8.881 8.627 0.254 1 1 201 . 15 1 1 A 23 23 PHE HA H 23 5.303 4.510 0.793 1 1 209 . 15 1 1 A 23 23 PHE C C 23 176.926 175.324 1.602 1 1 210 . 15 1 1 A 23 23 PHE CA C 23 60.013 59.922 0.091 1 1 211 . 15 1 1 A 23 23 PHE CB C 23 40.937 39.649 1.288 1 1 217 . 15 1 1 A 23 23 PHE N N 23 119.442 121.242 -1.800 1 1 218 . 15 1 1 A 24 24 LEU H H 24 9.072 8.743 0.329 1 1 219 . 15 1 1 A 24 24 LEU HA H 24 4.562 5.189 -0.627 1 1 229 . 15 1 1 A 24 24 LEU C C 24 174.406 174.787 -0.381 1 1 230 . 15 1 1 A 24 24 LEU CA C 24 54.437 53.527 0.910 1 1 231 . 15 1 1 A 24 24 LEU CB C 24 48.381 45.792 2.589 1 1 235 . 15 1 1 A 24 24 LEU N N 24 122.488 125.990 -3.502 1 1 236 . 15 1 1 A 25 25 LEU H H 25 8.120 8.311 -0.191 1 1 237 . 15 1 1 A 25 25 LEU HA H 25 5.480 5.407 0.073 1 1 247 . 15 1 1 A 25 25 LEU C C 25 176.175 175.927 0.248 1 1 248 . 15 1 1 A 25 25 LEU CA C 25 54.242 53.111 1.131 1 1 249 . 15 1 1 A 25 25 LEU CB C 25 42.576 42.585 -0.009 1 1 253 . 15 1 1 A 25 25 LEU N N 25 120.790 125.326 -4.536 1 1 254 . 15 1 1 A 26 26 ILE H H 26 9.110 8.705 0.405 1 1 255 . 15 1 1 A 26 26 ILE HA H 26 5.232 4.738 0.494 1 1 265 . 15 1 1 A 26 26 ILE C C 26 174.757 174.177 0.580 1 1 266 . 15 1 1 A 26 26 ILE CA C 26 57.613 59.559 -1.946 1 1 267 . 15 1 1 A 26 26 ILE CB C 26 41.343 40.277 1.066 1 1 271 . 15 1 1 A 26 26 ILE N N 26 120.679 124.499 -3.820 1 1 272 . 15 1 1 A 27 27 LYS H H 27 9.150 8.533 0.617 1 1 273 . 15 1 1 A 27 27 LYS HA H 27 4.425 4.595 -0.170 1 1 282 . 15 1 1 A 27 27 LYS C C 27 175.557 174.410 1.147 1 1 283 . 15 1 1 A 27 27 LYS CA C 27 56.095 54.356 1.739 1 1 284 . 15 1 1 A 27 27 LYS CB C 27 35.056 34.836 0.220 1 1 288 . 15 1 1 A 27 27 LYS N N 27 127.778 127.783 -0.005 1 1 289 . 15 1 1 A 28 28 ARG H H 28 5.868 8.116 -2.248 1 1 290 . 15 1 1 A 28 28 ARG HA H 28 4.429 4.684 -0.255 1 1 298 . 15 1 1 A 28 28 ARG C C 28 176.078 176.122 -0.044 1 1 299 . 15 1 1 A 28 28 ARG CA C 28 54.542 53.764 0.778 1 1 300 . 15 1 1 A 28 28 ARG CB C 28 31.602 33.839 -2.237 1 1 303 . 15 1 1 A 28 28 ARG N N 28 124.548 125.198 -0.650 1 1 305 . 15 1 1 A 29 29 SER H H 29 9.067 8.676 0.391 1 1 306 . 15 1 1 A 29 29 SER HA H 29 4.181 4.183 -0.002 1 1 309 . 15 1 1 A 29 29 SER C C 29 176.066 175.165 0.901 1 1 310 . 15 1 1 A 29 29 SER CA C 29 61.019 60.252 0.767 1 1 311 . 15 1 1 A 29 29 SER CB C 29 63.057 62.632 0.425 1 1 312 . 15 1 1 A 29 29 SER N N 29 116.823 118.052 -1.229 1 1 313 . 15 1 1 A 30 30 GLY HA2 H 30 3.810 3.959 -0.149 1 1 314 . 15 1 1 A 30 30 GLY HA3 H 30 4.172 3.964 0.208 1 1 315 . 15 1 1 A 30 30 GLY CA C 30 45.171 45.444 -0.273 1 1 316 . 15 1 1 A 31 31 TYR H H 31 8.001 8.200 -0.199 1 1 317 . 15 1 1 A 31 31 TYR HA H 31 4.729 4.230 0.499 1 1 324 . 15 1 1 A 31 31 TYR CB C 31 37.249 38.510 -1.261 1 1 329 . 15 1 1 A 31 31 TYR N N 31 121.120 121.198 -0.078 1 1 330 . 15 1 1 A 32 32 ARG HA H 32 4.204 4.021 0.183 1 1 337 . 15 1 1 A 32 32 ARG C C 32 176.066 174.817 1.249 1 1 338 . 15 1 1 A 32 32 ARG CA C 32 57.631 57.846 -0.215 1 1 339 . 15 1 1 A 32 32 ARG CB C 32 30.861 29.749 1.112 1 1 342 . 15 1 1 A 33 33 GLU H H 33 7.700 7.857 -0.157 1 1 343 . 15 1 1 A 33 33 GLU HA H 33 4.600 4.761 -0.161 1 1 348 . 15 1 1 A 33 33 GLU C C 33 175.569 174.703 0.866 1 1 349 . 15 1 1 A 33 33 GLU CA C 33 53.695 54.766 -1.071 1 1 350 . 15 1 1 A 33 33 GLU CB C 33 33.000 32.612 0.388 1 1 352 . 15 1 1 A 33 33 GLU N N 33 115.988 114.190 1.798 1 1 353 . 15 1 1 A 34 34 TYR H H 34 8.755 8.488 0.267 1 1 354 . 15 1 1 A 34 34 TYR HA H 34 4.311 4.415 -0.104 1 1 361 . 15 1 1 A 34 34 TYR C C 34 176.999 176.067 0.932 1 1 362 . 15 1 1 A 34 34 TYR CA C 34 59.537 59.649 -0.112 1 1 363 . 15 1 1 A 34 34 TYR CB C 34 39.744 39.239 0.505 1 1 368 . 15 1 1 A 34 34 TYR N N 34 118.663 122.876 -4.213 1 1 369 . 15 1 1 A 35 35 GLU H H 35 9.024 8.761 0.263 1 1 370 . 15 1 1 A 35 35 GLU HA H 35 4.401 4.809 -0.408 1 1 375 . 15 1 1 A 35 35 GLU C C 35 174.406 175.516 -1.110 1 1 376 . 15 1 1 A 35 35 GLU CA C 35 54.330 55.028 -0.698 1 1 377 . 15 1 1 A 35 35 GLU CB C 35 31.972 32.781 -0.809 1 1 379 . 15 1 1 A 35 35 GLU N N 35 122.488 123.013 -0.525 1 1 380 . 15 1 1 A 36 36 HIS H H 36 8.639 8.998 -0.359 1 1 381 . 15 1 1 A 36 36 HIS HA H 36 4.980 5.003 -0.023 1 1 386 . 15 1 1 A 36 36 HIS C C 36 174.127 174.457 -0.330 1 1 387 . 15 1 1 A 36 36 HIS CA C 36 55.607 55.182 0.425 1 1 388 . 15 1 1 A 36 36 HIS CB C 36 31.396 29.585 1.811 1 1 391 . 15 1 1 A 36 36 HIS N N 36 123.767 120.809 2.958 1 1 392 . 15 1 1 A 37 37 TYR H H 37 8.931 8.972 -0.041 1 1 393 . 15 1 1 A 37 37 TYR HA H 37 5.668 5.027 0.641 1 1 400 . 15 1 1 A 37 37 TYR C C 37 177.969 175.166 2.803 1 1 401 . 15 1 1 A 37 37 TYR CA C 37 55.407 56.570 -1.163 1 1 402 . 15 1 1 A 37 37 TYR CB C 37 42.089 42.121 -0.032 1 1 407 . 15 1 1 A 37 37 TYR N N 37 124.075 122.884 1.191 1 1 408 . 15 1 1 A 38 38 TRP H H 38 8.931 9.126 -0.195 1 1 409 . 15 1 1 A 38 38 TRP HA H 38 4.329 5.081 -0.752 1 1 418 . 15 1 1 A 38 38 TRP C C 38 174.345 175.601 -1.256 1 1 419 . 15 1 1 A 38 38 TRP CA C 38 58.230 56.630 1.600 1 1 420 . 15 1 1 A 38 38 TRP CB C 38 28.846 29.423 -0.577 1 1 426 . 15 1 1 A 38 38 TRP N N 38 125.317 127.169 -1.852 1 1 428 . 15 1 1 A 39 39 THR H H 39 8.366 8.720 -0.354 1 1 429 . 15 1 1 A 39 39 THR HA H 39 5.535 5.112 0.423 1 1 434 . 15 1 1 A 39 39 THR C C 39 173.303 174.236 -0.933 1 1 435 . 15 1 1 A 39 39 THR CA C 39 62.037 62.235 -0.198 1 1 436 . 15 1 1 A 39 39 THR CB C 39 70.295 70.407 -0.112 1 1 438 . 15 1 1 A 39 39 THR N N 39 127.024 122.737 4.287 1 1 439 . 15 1 1 A 40 40 GLU H H 40 8.902 9.939 -1.037 1 1 440 . 15 1 1 A 40 40 GLU HA H 40 4.816 4.882 -0.066 1 1 445 . 15 1 1 A 40 40 GLU C C 40 175.351 174.719 0.632 1 1 446 . 15 1 1 A 40 40 GLU CA C 40 53.607 54.936 -1.329 1 1 447 . 15 1 1 A 40 40 GLU CB C 40 34.639 32.943 1.696 1 1 449 . 15 1 1 A 40 40 GLU N N 40 120.613 123.944 -3.331 1 1 450 . 15 1 1 A 41 41 LEU H H 41 8.910 8.611 0.299 1 1 451 . 15 1 1 A 41 41 LEU HA H 41 5.168 5.185 -0.017 1 1 461 . 15 1 1 A 41 41 LEU C C 41 174.806 175.005 -0.199 1 1 462 . 15 1 1 A 41 41 LEU CA C 41 53.872 54.549 -0.677 1 1 463 . 15 1 1 A 41 41 LEU CB C 41 43.610 43.238 0.372 1 1 467 . 15 1 1 A 41 41 LEU N N 41 123.682 127.981 -4.299 1 1 468 . 15 1 1 A 42 42 ARG H H 42 9.150 8.401 0.749 1 1 469 . 15 1 1 A 42 42 ARG HA H 42 5.182 4.691 0.491 1 1 474 . 15 1 1 A 42 42 ARG C C 42 176.272 176.436 -0.164 1 1 475 . 15 1 1 A 42 42 ARG CA C 42 53.643 54.764 -1.121 1 1 476 . 15 1 1 A 42 42 ARG CB C 42 33.205 33.202 0.003 1 1 479 . 15 1 1 A 42 42 ARG N N 42 127.645 125.698 1.947 1 1 480 . 15 1 1 A 43 43 GLY H H 43 6.304 8.524 -2.220 1 1 481 . 15 1 1 A 43 43 GLY HA2 H 43 3.917 3.942 -0.025 1 1 482 . 15 1 1 A 43 43 GLY HA3 H 43 3.812 4.114 -0.302 1 1 483 . 15 1 1 A 43 43 GLY C C 43 171.630 174.769 -3.139 1 1 484 . 15 1 1 A 43 43 GLY CA C 43 47.025 47.422 -0.397 1 1 485 . 15 1 1 A 43 43 GLY N N 43 112.565 113.334 -0.769 1 1 486 . 15 1 1 A 44 44 THR H H 44 7.841 8.552 -0.711 1 1 487 . 15 1 1 A 44 44 THR HA H 44 4.313 4.755 -0.442 1 1 492 . 15 1 1 A 44 44 THR C C 44 172.515 173.683 -1.168 1 1 493 . 15 1 1 A 44 44 THR CA C 44 60.207 60.821 -0.614 1 1 494 . 15 1 1 A 44 44 THR CB C 44 68.320 69.345 -1.025 1 1 496 . 15 1 1 A 44 44 THR N N 44 111.769 118.513 -6.744 1 1 497 . 15 1 1 A 45 45 THR H H 45 8.500 7.799 0.701 1 1 498 . 15 1 1 A 45 45 THR HA H 45 4.664 4.977 -0.313 1 1 503 . 15 1 1 A 45 45 THR C C 45 172.224 173.354 -1.130 1 1 504 . 15 1 1 A 45 45 THR CA C 45 62.413 61.764 0.649 1 1 505 . 15 1 1 A 45 45 THR CB C 45 69.848 71.526 -1.678 1 1 507 . 15 1 1 A 45 45 THR N N 45 118.681 117.024 1.657 1 1 508 . 15 1 1 A 46 46 LEU H H 46 8.391 8.777 -0.386 1 1 509 . 15 1 1 A 46 46 LEU HA H 46 4.892 4.596 0.296 1 1 519 . 15 1 1 A 46 46 LEU C C 46 174.260 175.738 -1.478 1 1 520 . 15 1 1 A 46 46 LEU CA C 46 52.654 54.680 -2.026 1 1 521 . 15 1 1 A 46 46 LEU CB C 46 42.911 41.661 1.250 1 1 525 . 15 1 1 A 46 46 LEU N N 46 125.559 128.154 -2.595 1 1 526 . 15 1 1 A 47 47 PHE H H 47 9.131 9.285 -0.154 1 1 527 . 15 1 1 A 47 47 PHE HA H 47 3.940 4.880 -0.940 1 1 535 . 15 1 1 A 47 47 PHE C C 47 173.363 174.432 -1.069 1 1 536 . 15 1 1 A 47 47 PHE CA C 47 57.454 55.936 1.518 1 1 537 . 15 1 1 A 47 47 PHE CB C 47 42.747 41.242 1.505 1 1 543 . 15 1 1 A 47 47 PHE N N 47 121.095 124.000 -2.905 1 1 544 . 15 1 1 A 48 48 PHE H H 48 7.881 9.097 -1.216 1 1 545 . 15 1 1 A 48 48 PHE HA H 48 5.021 5.403 -0.382 1 1 553 . 15 1 1 A 48 48 PHE C C 48 173.727 174.431 -0.704 1 1 554 . 15 1 1 A 48 48 PHE CA C 48 56.166 56.323 -0.157 1 1 555 . 15 1 1 A 48 48 PHE CB C 48 39.169 41.903 -2.734 1 1 561 . 15 1 1 A 48 48 PHE N N 48 120.063 121.863 -1.800 1 1 562 . 15 1 1 A 49 49 TYR H H 49 9.972 9.816 0.156 1 1 563 . 15 1 1 A 49 49 TYR HA H 49 5.190 5.214 -0.024 1 1 570 . 15 1 1 A 49 49 TYR C C 49 176.587 176.828 -0.241 1 1 571 . 15 1 1 A 49 49 TYR CA C 49 56.254 57.095 -0.841 1 1 572 . 15 1 1 A 49 49 TYR CB C 49 41.842 42.276 -0.434 1 1 577 . 15 1 1 A 49 49 TYR N N 49 121.415 121.986 -0.571 1 1 578 . 15 1 1 A 50 50 THR H H 50 9.511 8.986 0.525 1 1 579 . 15 1 1 A 50 50 THR HA H 50 4.571 4.432 0.139 1 1 584 . 15 1 1 A 50 50 THR C C 50 174.793 175.136 -0.343 1 1 585 . 15 1 1 A 50 50 THR CA C 50 65.361 65.994 -0.633 1 1 586 . 15 1 1 A 50 50 THR CB C 50 69.043 68.659 0.384 1 1 588 . 15 1 1 A 50 50 THR N N 50 114.446 117.167 -2.721 1 1 589 . 15 1 1 A 51 51 ASP H H 51 7.828 8.581 -0.753 1 1 590 . 15 1 1 A 51 51 ASP HA H 51 4.803 5.244 -0.441 1 1 593 . 15 1 1 A 51 51 ASP C C 51 174.685 176.102 -1.417 1 1 594 . 15 1 1 A 51 51 ASP CA C 51 53.254 55.859 -2.605 1 1 595 . 15 1 1 A 51 51 ASP CB C 51 43.586 43.522 0.064 1 1 596 . 15 1 1 A 51 51 ASP N N 51 115.656 120.264 -4.608 1 1 597 . 15 1 1 A 52 52 LYS H H 52 8.271 7.795 0.476 1 1 598 . 15 1 1 A 52 52 LYS HA H 52 2.800 4.309 -1.509 1 1 607 . 15 1 1 A 52 52 LYS C C 52 176.671 177.205 -0.534 1 1 608 . 15 1 1 A 52 52 LYS CA C 52 58.372 57.007 1.365 1 1 609 . 15 1 1 A 52 52 LYS CB C 52 32.178 35.183 -3.005 1 1 613 . 15 1 1 A 52 52 LYS N N 52 119.009 118.211 0.798 1 1 614 . 15 1 1 A 53 53 LYS H H 53 8.068 8.273 -0.205 1 1 615 . 15 1 1 A 53 53 LYS HA H 53 4.109 4.316 -0.207 1 1 624 . 15 1 1 A 53 53 LYS C C 53 176.950 178.208 -1.258 1 1 625 . 15 1 1 A 53 53 LYS CA C 53 55.830 57.361 -1.531 1 1 626 . 15 1 1 A 53 53 LYS CB C 53 32.301 32.304 -0.003 1 1 630 . 15 1 1 A 53 53 LYS N N 53 116.395 119.913 -3.518 1 1 631 . 15 1 1 A 54 54 SER H H 54 7.549 7.875 -0.326 1 1 632 . 15 1 1 A 54 54 SER HA H 54 4.316 4.411 -0.095 1 1 635 . 15 1 1 A 54 54 SER C C 54 174.394 175.444 -1.050 1 1 636 . 15 1 1 A 54 54 SER CA C 54 59.395 60.723 -1.328 1 1 637 . 15 1 1 A 54 54 SER CB C 54 64.337 64.626 -0.289 1 1 638 . 15 1 1 A 54 54 SER N N 54 116.653 114.366 2.287 1 1 639 . 15 1 1 A 55 55 ILE H H 55 8.424 8.013 0.411 1 1 640 . 15 1 1 A 55 55 ILE HA H 55 4.267 3.849 0.418 1 1 650 . 15 1 1 A 55 55 ILE C C 55 174.999 176.438 -1.439 1 1 651 . 15 1 1 A 55 55 ILE CA C 55 62.213 64.233 -2.020 1 1 652 . 15 1 1 A 55 55 ILE CB C 55 38.728 36.287 2.441 1 1 656 . 15 1 1 A 55 55 ILE N N 55 118.660 116.207 2.453 1 1 657 . 15 1 1 A 56 56 ILE H H 56 7.771 9.019 -1.248 1 1 658 . 15 1 1 A 56 56 ILE HA H 56 4.561 4.374 0.187 1 1 668 . 15 1 1 A 56 56 ILE C C 56 175.266 175.767 -0.501 1 1 669 . 15 1 1 A 56 56 ILE CA C 56 59.342 62.082 -2.740 1 1 670 . 15 1 1 A 56 56 ILE CB C 56 39.506 38.151 1.355 1 1 674 . 15 1 1 A 56 56 ILE N N 56 119.568 119.996 -0.428 1 1 675 . 15 1 1 A 57 57 TYR H H 57 7.251 8.494 -1.243 1 1 676 . 15 1 1 A 57 57 TYR HA H 57 4.261 4.421 -0.160 1 1 683 . 15 1 1 A 57 57 TYR C C 57 174.902 174.953 -0.051 1 1 684 . 15 1 1 A 57 57 TYR CA C 57 56.201 56.570 -0.369 1 1 685 . 15 1 1 A 57 57 TYR CB C 57 37.230 40.302 -3.072 1 1 690 . 15 1 1 A 58 58 VAL H H 58 9.157 8.422 0.735 1 1 691 . 15 1 1 A 58 58 VAL HA H 58 4.251 3.822 0.429 1 1 699 . 15 1 1 A 58 58 VAL C C 58 175.812 174.474 1.338 1 1 700 . 15 1 1 A 58 58 VAL CA C 58 62.360 63.519 -1.159 1 1 701 . 15 1 1 A 58 58 VAL CB C 58 33.123 32.691 0.432 1 1 704 . 15 1 1 A 58 58 VAL N N 58 116.888 119.561 -2.673 1 1 705 . 15 1 1 A 59 59 ASP H H 59 7.990 6.912 1.078 1 1 706 . 15 1 1 A 59 59 ASP HA H 59 4.970 4.462 0.508 1 1 709 . 15 1 1 A 59 59 ASP C C 59 172.346 173.810 -1.464 1 1 710 . 15 1 1 A 59 59 ASP CA C 59 52.601 53.452 -0.851 1 1 711 . 15 1 1 A 59 59 ASP CB C 59 42.952 43.654 -0.702 1 1 712 . 15 1 1 A 59 59 ASP N N 59 117.301 118.576 -1.275 1 1 713 . 15 1 1 A 60 60 LYS H H 60 8.991 8.814 0.177 1 1 714 . 15 1 1 A 60 60 LYS HA H 60 4.761 5.003 -0.242 1 1 723 . 15 1 1 A 60 60 LYS C C 60 173.666 174.542 -0.876 1 1 724 . 15 1 1 A 60 60 LYS CA C 60 54.718 54.028 0.690 1 1 725 . 15 1 1 A 60 60 LYS CB C 60 35.097 36.794 -1.697 1 1 729 . 15 1 1 A 60 60 LYS N N 60 118.648 118.275 0.373 1 1 730 . 15 1 1 A 61 61 LEU H H 61 8.702 8.542 0.160 1 1 731 . 15 1 1 A 61 61 LEU HA H 61 4.462 4.907 -0.445 1 1 741 . 15 1 1 A 61 61 LEU C C 61 173.630 174.968 -1.338 1 1 742 . 15 1 1 A 61 61 LEU CA C 61 54.065 53.469 0.596 1 1 743 . 15 1 1 A 61 61 LEU CB C 61 47.032 46.370 0.662 1 1 747 . 15 1 1 A 61 61 LEU N N 61 121.890 119.927 1.963 1 1 748 . 15 1 1 A 62 62 ASP H H 62 8.868 8.969 -0.101 1 1 749 . 15 1 1 A 62 62 ASP HA H 62 4.841 5.254 -0.413 1 1 752 . 15 1 1 A 62 62 ASP C C 62 178.029 175.827 2.202 1 1 753 . 15 1 1 A 62 62 ASP CA C 62 53.819 52.620 1.199 1 1 754 . 15 1 1 A 62 62 ASP CB C 62 40.772 44.096 -3.324 1 1 755 . 15 1 1 A 62 62 ASP N N 62 128.697 120.966 7.731 1 1 756 . 15 1 1 A 63 63 ILE H H 63 9.261 8.051 1.210 1 1 757 . 15 1 1 A 63 63 ILE HA H 63 4.554 4.609 -0.055 1 1 767 . 15 1 1 A 63 63 ILE C C 63 175.617 177.017 -1.400 1 1 768 . 15 1 1 A 63 63 ILE CA C 63 60.736 60.411 0.325 1 1 769 . 15 1 1 A 63 63 ILE CB C 63 38.364 37.794 0.570 1 1 773 . 15 1 1 A 63 63 ILE N N 63 120.253 120.761 -0.508 1 1 774 . 15 1 1 A 64 64 VAL H H 64 8.010 7.724 0.286 1 1 775 . 15 1 1 A 64 64 VAL HA H 64 3.781 3.898 -0.117 1 1 783 . 15 1 1 A 64 64 VAL C C 64 174.878 176.689 -1.811 1 1 784 . 15 1 1 A 64 64 VAL CA C 64 65.572 64.904 0.668 1 1 785 . 15 1 1 A 64 64 VAL CB C 64 30.532 31.616 -1.084 1 1 788 . 15 1 1 A 64 64 VAL N N 64 122.413 122.709 -0.296 1 1 789 . 15 1 1 A 65 65 ASP H H 65 8.391 7.706 0.685 1 1 790 . 15 1 1 A 65 65 ASP HA H 65 4.841 4.788 0.053 1 1 793 . 15 1 1 A 65 65 ASP C C 65 174.854 175.749 -0.895 1 1 794 . 15 1 1 A 65 65 ASP CA C 65 53.483 53.511 -0.028 1 1 795 . 15 1 1 A 65 65 ASP CB C 65 40.114 41.354 -1.240 1 1 796 . 15 1 1 A 65 65 ASP N N 65 119.308 119.494 -0.186 1 1 797 . 15 1 1 A 66 66 LEU H H 66 7.517 7.273 0.244 1 1 798 . 15 1 1 A 66 66 LEU HA H 66 3.962 4.167 -0.205 1 1 808 . 15 1 1 A 66 66 LEU C C 66 176.708 177.343 -0.635 1 1 809 . 15 1 1 A 66 66 LEU CA C 66 57.471 56.393 1.078 1 1 810 . 15 1 1 A 66 66 LEU CB C 66 43.322 42.884 0.438 1 1 814 . 15 1 1 A 66 66 LEU N N 66 120.009 123.302 -3.293 1 1 815 . 15 1 1 A 67 67 THR H H 67 9.329 9.896 -0.567 1 1 816 . 15 1 1 A 67 67 THR HA H 67 4.363 4.240 0.123 1 1 821 . 15 1 1 A 67 67 THR C C 67 175.145 174.331 0.814 1 1 822 . 15 1 1 A 67 67 THR CA C 67 64.019 64.011 0.008 1 1 823 . 15 1 1 A 67 67 THR CB C 67 69.107 69.194 -0.087 1 1 825 . 15 1 1 A 67 67 THR N N 67 123.534 121.233 2.301 1 1 826 . 15 1 1 A 68 68 CYS H H 68 7.584 7.146 0.438 1 1 827 . 15 1 1 A 68 68 CYS HA H 68 4.604 4.730 -0.126 1 1 830 . 15 1 1 A 68 68 CYS C C 68 170.528 172.512 -1.984 1 1 831 . 15 1 1 A 68 68 CYS CA C 68 57.402 58.526 -1.124 1 1 832 . 15 1 1 A 68 68 CYS CB C 68 29.175 31.032 -1.857 1 1 833 . 15 1 1 A 68 68 CYS N N 68 115.015 115.841 -0.826 1 1 834 . 15 1 1 A 69 69 LEU H H 69 8.730 8.675 0.055 1 1 835 . 15 1 1 A 69 69 LEU HA H 69 5.411 5.154 0.257 1 1 845 . 15 1 1 A 69 69 LEU C C 69 176.356 175.875 0.481 1 1 846 . 15 1 1 A 69 69 LEU CA C 69 54.242 54.127 0.115 1 1 847 . 15 1 1 A 69 69 LEU CB C 69 44.885 45.635 -0.750 1 1 851 . 15 1 1 A 69 69 LEU N N 69 125.633 122.779 2.854 1 1 852 . 15 1 1 A 70 70 THR H H 70 9.197 8.747 0.450 1 1 853 . 15 1 1 A 70 70 THR HA H 70 4.702 5.130 -0.428 1 1 858 . 15 1 1 A 70 70 THR C C 70 173.582 173.650 -0.068 1 1 859 . 15 1 1 A 70 70 THR CA C 70 60.384 59.995 0.389 1 1 860 . 15 1 1 A 70 70 THR CB C 70 70.870 71.471 -0.601 1 1 862 . 15 1 1 A 70 70 THR N N 70 120.391 118.382 2.009 1 1 863 . 15 1 1 A 71 71 GLU H H 71 8.965 8.860 0.105 1 1 864 . 15 1 1 A 71 71 GLU HA H 71 4.685 5.421 -0.736 1 1 869 . 15 1 1 A 71 71 GLU C C 71 175.957 175.635 0.322 1 1 870 . 15 1 1 A 71 71 GLU CA C 71 56.254 54.670 1.584 1 1 871 . 15 1 1 A 71 71 GLU CB C 71 31.396 32.312 -0.916 1 1 873 . 15 1 1 A 71 71 GLU N N 71 124.718 120.211 4.507 1 1 874 . 15 1 1 A 72 72 GLN H H 72 8.318 8.564 -0.246 1 1 875 . 15 1 1 A 72 72 GLN HA H 72 4.629 4.547 0.082 1 1 882 . 15 1 1 A 72 72 GLN C C 72 175.254 176.278 -1.024 1 1 883 . 15 1 1 A 72 72 GLN CA C 72 55.336 55.879 -0.543 1 1 884 . 15 1 1 A 72 72 GLN CB C 72 30.533 29.362 1.171 1 1 886 . 15 1 1 A 72 72 GLN N N 72 123.543 124.222 -0.679 1 1 888 . 15 1 1 A 73 73 ASN H H 73 8.670 8.489 0.181 1 1 889 . 15 1 1 A 73 73 ASN HA H 73 4.688 4.605 0.083 1 1 894 . 15 1 1 A 73 73 ASN C C 73 175.229 175.116 0.113 1 1 895 . 15 1 1 A 73 73 ASN CA C 73 53.607 54.252 -0.645 1 1 896 . 15 1 1 A 73 73 ASN CB C 73 39.169 38.872 0.297 1 1 897 . 15 1 1 A 73 73 ASN N N 73 120.534 122.047 -1.513 1 1 899 . 15 1 1 A 74 74 SER H H 74 8.641 8.587 0.054 1 1 900 . 15 1 1 A 74 74 SER HA H 74 4.652 4.903 -0.251 1 1 903 . 15 1 1 A 74 74 SER C C 74 175.121 174.968 0.153 1 1 904 . 15 1 1 A 74 74 SER CA C 74 58.409 57.560 0.849 1 1 905 . 15 1 1 A 74 74 SER CB C 74 64.401 67.141 -2.740 1 1 906 . 15 1 1 A 74 74 SER N N 74 117.448 115.569 1.879 1 1 907 . 15 1 1 A 75 75 THR HA H 75 4.282 4.130 0.152 1 1 912 . 15 1 1 A 75 75 THR C C 75 174.878 174.528 0.350 1 1 913 . 15 1 1 A 75 75 THR CA C 75 62.819 64.648 -1.829 1 1 914 . 15 1 1 A 75 75 THR CB C 75 69.061 68.694 0.367 1 1 916 . 15 1 1 A 76 76 GLU H H 76 8.156 7.903 0.253 1 1 917 . 15 1 1 A 76 76 GLU HA H 76 4.350 4.497 -0.147 1 1 922 . 15 1 1 A 76 76 GLU C C 76 176.138 175.552 0.586 1 1 923 . 15 1 1 A 76 76 GLU CA C 76 56.202 56.127 0.075 1 1 924 . 15 1 1 A 76 76 GLU CB C 76 30.532 29.976 0.556 1 1 926 . 15 1 1 A 76 76 GLU N N 76 122.220 120.064 2.156 1 1 927 . 15 1 1 A 77 77 LYS H H 77 8.443 8.549 -0.106 1 1 928 . 15 1 1 A 77 77 LYS HA H 77 4.221 3.981 0.240 1 1 937 . 15 1 1 A 77 77 LYS C C 77 176.465 176.597 -0.132 1 1 938 . 15 1 1 A 77 77 LYS CA C 77 56.730 57.179 -0.449 1 1 939 . 15 1 1 A 77 77 LYS CB C 77 32.301 30.964 1.337 1 1 943 . 15 1 1 A 77 77 LYS N N 77 122.162 126.399 -4.237 1 1 944 . 15 1 1 A 78 78 ASN H H 78 8.621 8.213 0.408 1 1 945 . 15 1 1 A 78 78 ASN HA H 78 4.641 4.970 -0.329 1 1 950 . 15 1 1 A 78 78 ASN C C 78 173.485 174.810 -1.325 1 1 951 . 15 1 1 A 78 78 ASN CA C 78 53.748 54.790 -1.042 1 1 952 . 15 1 1 A 78 78 ASN CB C 78 38.058 41.654 -3.596 1 1 953 . 15 1 1 A 78 78 ASN N N 78 116.583 120.966 -4.383 1 1 955 . 15 1 1 A 79 79 CYS H H 79 7.551 7.757 -0.206 1 1 956 . 15 1 1 A 79 79 CYS HA H 79 4.371 5.079 -0.708 1 1 959 . 15 1 1 A 79 79 CYS C C 79 172.515 172.845 -0.330 1 1 960 . 15 1 1 A 79 79 CYS CA C 79 57.295 56.617 0.678 1 1 961 . 15 1 1 A 79 79 CYS CB C 79 29.628 30.880 -1.252 1 1 962 . 15 1 1 A 79 79 CYS N N 79 112.640 114.986 -2.346 1 1 963 . 15 1 1 A 80 80 ALA H H 80 7.642 8.434 -0.792 1 1 964 . 15 1 1 A 80 80 ALA HA H 80 4.727 4.992 -0.265 1 1 968 . 15 1 1 A 80 80 ALA C C 80 175.314 176.870 -1.556 1 1 969 . 15 1 1 A 80 80 ALA CA C 80 51.330 50.838 0.492 1 1 970 . 15 1 1 A 80 80 ALA CB C 80 21.896 20.467 1.429 1 1 971 . 15 1 1 A 80 80 ALA N N 80 124.099 124.541 -0.442 1 1 972 . 15 1 1 A 81 81 LYS H H 81 8.459 8.599 -0.140 1 1 973 . 15 1 1 A 81 81 LYS HA H 81 5.112 4.809 0.303 1 1 982 . 15 1 1 A 81 81 LYS C C 81 174.781 175.003 -0.222 1 1 983 . 15 1 1 A 81 81 LYS CA C 81 55.283 54.745 0.538 1 1 984 . 15 1 1 A 81 81 LYS CB C 81 36.133 34.827 1.306 1 1 988 . 15 1 1 A 81 81 LYS N N 81 119.796 122.585 -2.789 1 1 989 . 15 1 1 A 82 82 PHE H H 82 8.748 8.226 0.522 1 1 990 . 15 1 1 A 82 82 PHE HA H 82 5.513 5.838 -0.325 1 1 998 . 15 1 1 A 82 82 PHE C C 82 174.357 172.661 1.696 1 1 999 . 15 1 1 A 82 82 PHE CA C 82 55.643 56.098 -0.455 1 1 1000 . 15 1 1 A 82 82 PHE CB C 82 42.089 42.400 -0.311 1 1 1006 . 15 1 1 A 82 82 PHE N N 82 119.073 120.153 -1.080 1 1 1007 . 15 1 1 A 83 83 THR H H 83 9.290 8.481 0.809 1 1 1008 . 15 1 1 A 83 83 THR HA H 83 5.032 5.095 -0.063 1 1 1013 . 15 1 1 A 83 83 THR C C 83 173.472 174.052 -0.580 1 1 1014 . 15 1 1 A 83 83 THR CA C 83 62.113 61.354 0.759 1 1 1015 . 15 1 1 A 83 83 THR CB C 83 71.076 71.059 0.017 1 1 1017 . 15 1 1 A 83 83 THR N N 83 116.845 116.042 0.803 1 1 1018 . 15 1 1 A 84 84 LEU H H 84 9.502 9.250 0.252 1 1 1019 . 15 1 1 A 84 84 LEU HA H 84 4.691 4.819 -0.128 1 1 1029 . 15 1 1 A 84 84 LEU C C 84 174.308 176.058 -1.750 1 1 1030 . 15 1 1 A 84 84 LEU CA C 84 54.224 53.662 0.562 1 1 1031 . 15 1 1 A 84 84 LEU CB C 84 41.636 41.258 0.378 1 1 1035 . 15 1 1 A 84 84 LEU N N 84 125.923 127.784 -1.861 1 1 1036 . 15 1 1 A 85 85 VAL H H 85 8.620 8.756 -0.136 1 1 1037 . 15 1 1 A 85 85 VAL HA H 85 4.151 4.500 -0.349 1 1 1045 . 15 1 1 A 85 85 VAL C C 85 174.188 175.381 -1.193 1 1 1046 . 15 1 1 A 85 85 VAL CA C 85 63.649 62.066 1.583 1 1 1047 . 15 1 1 A 85 85 VAL CB C 85 30.861 31.921 -1.060 1 1 1050 . 15 1 1 A 85 85 VAL N N 85 126.007 125.301 0.706 1 1 1051 . 15 1 1 A 86 86 LEU H H 86 8.534 8.694 -0.160 1 1 1052 . 15 1 1 A 86 86 LEU HA H 86 4.853 4.829 0.024 1 1 1062 . 15 1 1 A 86 86 LEU C C 86 174.878 176.652 -1.774 1 1 1063 . 15 1 1 A 86 86 LEU CA C 86 53.183 51.724 1.459 1 1 1064 . 15 1 1 A 86 86 LEU CB C 86 40.485 44.711 -4.226 1 1 1068 . 15 1 1 A 86 86 LEU N N 86 129.551 128.257 1.294 1 1 1069 . 15 1 1 A 87 87 PRO HA H 87 4.221 4.544 -0.323 1 1 1076 . 15 1 1 A 87 87 PRO C C 87 178.223 177.084 1.139 1 1 1077 . 15 1 1 A 87 87 PRO CA C 87 66.455 64.174 2.281 1 1 1078 . 15 1 1 A 87 87 PRO CB C 87 32.260 31.698 0.562 1 1 1081 . 15 1 1 A 88 88 LYS H H 88 8.414 8.239 0.175 1 1 1082 . 15 1 1 A 88 88 LYS HA H 88 4.548 4.405 0.143 1 1 1091 . 15 1 1 A 88 88 LYS C C 88 176.187 176.513 -0.326 1 1 1092 . 15 1 1 A 88 88 LYS CA C 88 55.071 56.965 -1.894 1 1 1093 . 15 1 1 A 88 88 LYS CB C 88 33.534 34.137 -0.603 1 1 1097 . 15 1 1 A 88 88 LYS N N 88 110.404 116.786 -6.382 1 1 1098 . 15 1 1 A 89 89 GLU H H 89 7.208 7.779 -0.571 1 1 1099 . 15 1 1 A 89 89 GLU HA H 89 4.561 4.711 -0.150 1 1 1104 . 15 1 1 A 89 89 GLU C C 89 172.527 174.031 -1.504 1 1 1105 . 15 1 1 A 89 89 GLU CA C 89 56.007 55.770 0.237 1 1 1106 . 15 1 1 A 89 89 GLU CB C 89 33.082 33.484 -0.402 1 1 1108 . 15 1 1 A 89 89 GLU N N 89 116.828 115.011 1.817 1 1 1109 . 15 1 1 A 90 90 GLU H H 90 8.321 8.634 -0.313 1 1 1110 . 15 1 1 A 90 90 GLU HA H 90 5.249 5.372 -0.123 1 1 1115 . 15 1 1 A 90 90 GLU C C 90 176.296 175.718 0.578 1 1 1116 . 15 1 1 A 90 90 GLU CA C 90 54.860 55.231 -0.371 1 1 1117 . 15 1 1 A 90 90 GLU CB C 90 31.972 31.832 0.140 1 1 1119 . 15 1 1 A 90 90 GLU N N 90 119.609 124.676 -5.067 1 1 1120 . 15 1 1 A 91 91 VAL H H 91 8.972 8.751 0.221 1 1 1121 . 15 1 1 A 91 91 VAL HA H 91 4.352 4.714 -0.362 1 1 1129 . 15 1 1 A 91 91 VAL C C 91 174.284 174.653 -0.369 1 1 1130 . 15 1 1 A 91 91 VAL CA C 91 61.284 60.246 1.038 1 1 1131 . 15 1 1 A 91 91 VAL CB C 91 34.891 35.527 -0.636 1 1 1134 . 15 1 1 A 91 91 VAL N N 91 123.947 123.043 0.904 1 1 1135 . 15 1 1 A 92 92 GLN H H 92 8.241 8.277 -0.036 1 1 1136 . 15 1 1 A 92 92 GLN HA H 92 4.930 5.045 -0.115 1 1 1143 . 15 1 1 A 92 92 GLN C C 92 174.115 174.849 -0.734 1 1 1144 . 15 1 1 A 92 92 GLN CA C 92 55.583 54.940 0.643 1 1 1145 . 15 1 1 A 92 92 GLN CB C 92 30.121 30.233 -0.112 1 1 1147 . 15 1 1 A 92 92 GLN N N 92 125.869 125.247 0.622 1 1 1149 . 15 1 1 A 93 93 LEU H H 93 9.145 8.781 0.364 1 1 1150 . 15 1 1 A 93 93 LEU HA H 93 5.456 5.031 0.425 1 1 1160 . 15 1 1 A 93 93 LEU C C 93 176.256 175.214 1.042 1 1 1161 . 15 1 1 A 93 93 LEU CA C 93 53.801 53.453 0.348 1 1 1162 . 15 1 1 A 93 93 LEU CB C 93 45.913 46.044 -0.131 1 1 1166 . 15 1 1 A 93 93 LEU N N 93 123.952 125.174 -1.222 1 1 1167 . 15 1 1 A 94 94 LYS H H 94 9.255 8.074 1.181 1 1 1168 . 15 1 1 A 94 94 LYS HA H 94 5.452 4.283 1.169 1 1 1177 . 15 1 1 A 94 94 LYS C C 94 174.563 174.376 0.187 1 1 1178 . 15 1 1 A 94 94 LYS CA C 94 54.718 55.280 -0.562 1 1 1179 . 15 1 1 A 94 94 LYS CB C 94 36.571 35.816 0.755 1 1 1183 . 15 1 1 A 94 94 LYS N N 94 124.618 121.683 2.935 1 1 1184 . 15 1 1 A 95 95 THR H H 95 8.582 7.809 0.773 1 1 1185 . 15 1 1 A 95 95 THR HA H 95 4.946 4.819 0.127 1 1 1190 . 15 1 1 A 95 95 THR C C 95 175.278 175.421 -0.143 1 1 1191 . 15 1 1 A 95 95 THR CA C 95 59.908 59.211 0.697 1 1 1192 . 15 1 1 A 95 95 THR CB C 95 70.917 71.847 -0.930 1 1 1194 . 15 1 1 A 95 95 THR N N 95 112.788 115.688 -2.900 1 1 1195 . 15 1 1 A 96 96 GLU H H 96 9.033 8.761 0.272 1 1 1196 . 15 1 1 A 96 96 GLU HA H 96 4.321 4.371 -0.050 1 1 1201 . 15 1 1 A 96 96 GLU C C 96 175.435 177.077 -1.642 1 1 1202 . 15 1 1 A 96 96 GLU CA C 96 57.595 58.362 -0.767 1 1 1203 . 15 1 1 A 96 96 GLU CB C 96 30.656 30.611 0.045 1 1 1205 . 15 1 1 A 96 96 GLU N N 96 117.745 121.131 -3.386 1 1 1206 . 15 1 1 A 97 97 ASN H H 97 7.562 8.225 -0.663 1 1 1207 . 15 1 1 A 97 97 ASN HA H 97 5.074 5.070 0.004 1 1 1212 . 15 1 1 A 97 97 ASN C C 97 176.575 176.301 0.274 1 1 1213 . 15 1 1 A 97 97 ASN CA C 97 52.195 52.696 -0.501 1 1 1214 . 15 1 1 A 97 97 ASN CB C 97 40.485 39.725 0.760 1 1 1215 . 15 1 1 A 97 97 ASN N N 97 110.462 117.443 -6.981 1 1 1217 . 15 1 1 A 98 98 THR HA H 98 3.916 3.863 0.053 1 1 1222 . 15 1 1 A 98 98 THR C C 98 176.938 175.982 0.956 1 1 1223 . 15 1 1 A 98 98 THR CA C 98 66.349 66.201 0.148 1 1 1224 . 15 1 1 A 98 98 THR CB C 98 68.638 69.054 -0.416 1 1 1226 . 15 1 1 A 99 99 GLU H H 99 9.316 8.548 0.768 1 1 1227 . 15 1 1 A 99 99 GLU HA H 99 4.221 4.058 0.163 1 1 1232 . 15 1 1 A 99 99 GLU C C 99 179.241 179.062 0.179 1 1 1233 . 15 1 1 A 99 99 GLU CA C 99 60.754 59.592 1.162 1 1 1234 . 15 1 1 A 99 99 GLU CB C 99 28.764 29.565 -0.801 1 1 1236 . 15 1 1 A 99 99 GLU N N 99 125.868 120.247 5.621 1 1 1237 . 15 1 1 A 100 100 SER H H 100 8.739 8.424 0.315 1 1 1238 . 15 1 1 A 100 100 SER HA H 100 4.863 4.421 0.442 1 1 1241 . 15 1 1 A 100 100 SER C C 100 177.411 177.342 0.069 1 1 1242 . 15 1 1 A 100 100 SER CA C 100 61.037 62.858 -1.821 1 1 1243 . 15 1 1 A 100 100 SER CB C 100 63.879 63.226 0.653 1 1 1244 . 15 1 1 A 100 100 SER N N 100 114.755 117.291 -2.536 1 1 1245 . 15 1 1 A 101 101 GLY H H 101 7.879 8.347 -0.468 1 1 1246 . 15 1 1 A 101 101 GLY HA2 H 101 4.139 3.966 0.173 1 1 1247 . 15 1 1 A 101 101 GLY HA3 H 101 4.012 4.106 -0.094 1 1 1248 . 15 1 1 A 101 101 GLY C C 101 174.611 176.093 -1.482 1 1 1249 . 15 1 1 A 101 101 GLY CA C 101 48.948 47.622 1.326 1 1 1250 . 15 1 1 A 101 101 GLY N N 101 108.940 109.684 -0.744 1 1 1251 . 15 1 1 A 102 102 GLU H H 102 7.801 7.764 0.037 1 1 1252 . 15 1 1 A 102 102 GLU HA H 102 4.171 4.038 0.133 1 1 1257 . 15 1 1 A 102 102 GLU C C 102 179.084 179.191 -0.107 1 1 1258 . 15 1 1 A 102 102 GLU CA C 102 58.601 59.336 -0.735 1 1 1259 . 15 1 1 A 102 102 GLU CB C 102 29.627 29.362 0.265 1 1 1261 . 15 1 1 A 102 102 GLU N N 102 120.720 121.308 -0.588 1 1 1262 . 15 1 1 A 103 103 GLU H H 103 7.781 8.167 -0.386 1 1 1263 . 15 1 1 A 103 103 GLU HA H 103 3.739 3.894 -0.155 1 1 1268 . 15 1 1 A 103 103 GLU C C 103 178.235 179.461 -1.226 1 1 1269 . 15 1 1 A 103 103 GLU CA C 103 60.366 59.103 1.263 1 1 1270 . 15 1 1 A 103 103 GLU CB C 103 30.491 29.194 1.297 1 1 1272 . 15 1 1 A 103 103 GLU N N 103 119.068 119.619 -0.551 1 1 1273 . 15 1 1 A 104 104 TRP H H 104 8.761 8.805 -0.044 1 1 1274 . 15 1 1 A 104 104 TRP HA H 104 4.171 4.590 -0.419 1 1 1283 . 15 1 1 A 104 104 TRP C C 104 178.817 178.859 -0.042 1 1 1284 . 15 1 1 A 104 104 TRP CA C 104 62.290 60.749 1.541 1 1 1285 . 15 1 1 A 104 104 TRP CB C 104 29.340 29.537 -0.197 1 1 1291 . 15 1 1 A 104 104 TRP N N 104 118.358 121.456 -3.098 1 1 1293 . 15 1 1 A 105 105 ARG H H 105 8.400 8.814 -0.414 1 1 1294 . 15 1 1 A 105 105 ARG HA H 105 3.481 3.708 -0.227 1 1 1302 . 15 1 1 A 105 105 ARG C C 105 177.666 179.337 -1.671 1 1 1303 . 15 1 1 A 105 105 ARG CA C 105 60.666 59.619 1.047 1 1 1304 . 15 1 1 A 105 105 ARG CB C 105 30.162 29.960 0.202 1 1 1307 . 15 1 1 A 105 105 ARG N N 105 117.098 119.359 -2.261 1 1 1309 . 15 1 1 A 106 106 GLY H H 106 8.202 8.512 -0.310 1 1 1310 . 15 1 1 A 106 106 GLY HA2 H 106 3.470 3.477 -0.007 1 1 1311 . 15 1 1 A 106 106 GLY HA3 H 106 3.382 3.529 -0.147 1 1 1312 . 15 1 1 A 106 106 GLY C C 106 176.162 176.131 0.031 1 1 1313 . 15 1 1 A 106 106 GLY CA C 106 47.554 47.189 0.365 1 1 1314 . 15 1 1 A 106 106 GLY N N 106 104.212 106.672 -2.460 1 1 1315 . 15 1 1 A 107 107 PHE H H 107 8.491 9.156 -0.665 1 1 1316 . 15 1 1 A 107 107 PHE HA H 107 3.722 4.279 -0.557 1 1 1324 . 15 1 1 A 107 107 PHE C C 107 177.265 178.042 -0.777 1 1 1325 . 15 1 1 A 107 107 PHE CA C 107 64.284 59.865 4.419 1 1 1326 . 15 1 1 A 107 107 PHE CB C 107 39.209 38.702 0.507 1 1 1332 . 15 1 1 A 107 107 PHE N N 107 122.710 120.560 2.150 1 1 1333 . 15 1 1 A 108 108 ILE H H 108 8.674 9.446 -0.772 1 1 1334 . 15 1 1 A 108 108 ILE HA H 108 3.523 3.733 -0.210 1 1 1344 . 15 1 1 A 108 108 ILE C C 108 178.623 178.018 0.605 1 1 1345 . 15 1 1 A 108 108 ILE CA C 108 66.384 65.046 1.338 1 1 1346 . 15 1 1 A 108 108 ILE CB C 108 37.852 37.896 -0.044 1 1 1350 . 15 1 1 A 108 108 ILE N N 108 117.395 119.764 -2.369 1 1 1351 . 15 1 1 A 109 109 LEU H H 109 8.378 8.194 0.184 1 1 1352 . 15 1 1 A 109 109 LEU HA H 109 4.032 4.285 -0.253 1 1 1362 . 15 1 1 A 109 109 LEU C C 109 178.635 179.665 -1.030 1 1 1363 . 15 1 1 A 109 109 LEU CA C 109 57.878 57.652 0.226 1 1 1364 . 15 1 1 A 109 109 LEU CB C 109 40.854 41.591 -0.737 1 1 1368 . 15 1 1 A 109 109 LEU N N 109 118.573 119.427 -0.854 1 1 1369 . 15 1 1 A 110 110 THR H H 110 7.600 7.815 -0.215 1 1 1370 . 15 1 1 A 110 110 THR HA H 110 4.110 4.580 -0.470 1 1 1375 . 15 1 1 A 110 110 THR C C 110 177.265 175.989 1.276 1 1 1376 . 15 1 1 A 110 110 THR CA C 110 68.325 66.059 2.266 1 1 1377 . 15 1 1 A 110 110 THR CB C 110 68.230 69.255 -1.025 1 1 1379 . 15 1 1 A 110 110 THR N N 110 115.926 115.033 0.893 1 1 1380 . 15 1 1 A 111 111 VAL H H 111 7.490 7.864 -0.374 1 1 1381 . 15 1 1 A 111 111 VAL HA H 111 3.912 4.137 -0.225 1 1 1389 . 15 1 1 A 111 111 VAL C C 111 174.793 176.715 -1.922 1 1 1390 . 15 1 1 A 111 111 VAL CA C 111 64.601 61.212 3.389 1 1 1391 . 15 1 1 A 111 111 VAL CB C 111 32.007 31.639 0.368 1 1 1394 . 15 1 1 A 111 111 VAL N N 111 109.123 115.651 -6.528 1 1 1395 . 15 1 1 A 112 112 THR H H 112 7.410 7.671 -0.261 1 1 1396 . 15 1 1 A 112 112 THR HA H 112 4.494 4.572 -0.078 1 1 1401 . 15 1 1 A 112 112 THR C C 112 177.265 175.396 1.869 1 1 1402 . 15 1 1 A 112 112 THR CA C 112 62.784 62.160 0.624 1 1 1403 . 15 1 1 A 112 112 THR CB C 112 69.290 70.518 -1.228 1 1 1405 . 15 1 1 A 112 112 THR N N 112 107.046 112.234 -5.188 1 1 1406 . 15 1 1 A 113 113 GLU H H 113 8.541 8.290 0.251 1 1 1407 . 15 1 1 A 113 113 GLU HA H 113 4.280 4.413 -0.133 1 1 1412 . 15 1 1 A 113 113 GLU C C 113 176.745 175.274 1.471 1 1 1413 . 15 1 1 A 113 113 GLU CA C 113 57.048 55.929 1.119 1 1 1414 . 15 1 1 A 113 113 GLU CB C 113 29.422 29.445 -0.023 1 1 1416 . 15 1 1 A 113 113 GLU N N 113 120.888 119.284 1.604 1 1 1417 . 15 1 1 A 114 114 LEU H H 114 7.561 7.802 -0.241 1 1 1418 . 15 1 1 A 114 114 LEU HA H 114 4.042 4.067 -0.025 1 1 1428 . 15 1 1 A 114 114 LEU C C 114 175.569 175.152 0.417 1 1 1429 . 15 1 1 A 114 114 LEU CA C 114 55.213 56.300 -1.087 1 1 1430 . 15 1 1 A 114 114 LEU CB C 114 38.182 40.288 -2.106 1 1 1434 . 15 1 1 A 114 114 LEU N N 114 114.453 118.940 -4.487 1 1 1435 . 15 1 1 A 115 115 SER H H 115 7.113 7.742 -0.629 1 1 1436 . 15 1 1 A 115 115 SER HA H 115 4.315 4.772 -0.457 1 1 1439 . 15 1 1 A 115 115 SER C C 115 173.521 172.449 1.072 1 1 1440 . 15 1 1 A 115 115 SER CA C 115 57.454 56.351 1.103 1 1 1441 . 15 1 1 A 115 115 SER CB C 115 64.505 65.984 -1.479 1 1 1442 . 15 1 1 A 115 115 SER N N 115 110.010 113.137 -3.127 1 1 1443 . 15 1 1 A 116 116 VAL H H 116 8.635 8.618 0.017 1 1 1444 . 15 1 1 A 116 116 VAL HA H 116 4.210 4.311 -0.101 1 1 1452 . 15 1 1 A 116 116 VAL C C 116 175.024 174.413 0.611 1 1 1453 . 15 1 1 A 116 116 VAL CA C 116 60.948 58.929 2.019 1 1 1454 . 15 1 1 A 116 116 VAL CB C 116 32.177 32.885 -0.708 1 1 1457 . 15 1 1 A 116 116 VAL N N 116 129.442 122.808 6.634 1 1 1458 . 15 1 1 A 117 117 PRO HA H 117 4.381 4.689 -0.308 1 1 1465 . 15 1 1 A 117 117 PRO C C 117 176.478 177.335 -0.857 1 1 1466 . 15 1 1 A 117 117 PRO CA C 117 62.678 62.462 0.216 1 1 1467 . 15 1 1 A 117 117 PRO CB C 117 31.931 31.829 0.102 1 1 1470 . 15 1 1 A 118 118 GLN H H 118 8.576 8.764 -0.188 1 1 1471 . 15 1 1 A 118 118 GLN HA H 118 4.282 4.202 0.080 1 1 1478 . 15 1 1 A 118 118 GLN C C 118 176.575 177.078 -0.503 1 1 1479 . 15 1 1 A 118 118 GLN CA C 118 55.866 56.873 -1.007 1 1 1480 . 15 1 1 A 118 118 GLN CB C 118 29.704 28.982 0.722 1 1 1482 . 15 1 1 A 118 118 GLN N N 118 118.498 121.461 -2.963 1 1 1484 . 15 1 1 A 119 119 ASN H H 119 8.444 7.947 0.497 1 1 1485 . 15 1 1 A 119 119 ASN HA H 119 4.727 4.836 -0.109 1 1 1490 . 15 1 1 A 119 119 ASN C C 119 174.842 173.862 0.980 1 1 1491 . 15 1 1 A 119 119 ASN CA C 119 52.812 52.842 -0.030 1 1 1492 . 15 1 1 A 119 119 ASN CB C 119 37.071 36.995 0.076 1 1 1493 . 15 1 1 A 119 119 ASN N N 119 117.223 116.173 1.050 1 1 1495 . 15 1 1 A 120 120 VAL H H 120 7.182 7.628 -0.446 1 1 1496 . 15 1 1 A 120 120 VAL HA H 120 4.381 4.894 -0.513 1 1 1504 . 15 1 1 A 120 120 VAL C C 120 175.484 175.029 0.455 1 1 1505 . 15 1 1 A 120 120 VAL CA C 120 60.048 59.515 0.533 1 1 1506 . 15 1 1 A 120 120 VAL CB C 120 34.028 35.007 -0.979 1 1 1509 . 15 1 1 A 120 120 VAL N N 120 114.038 116.703 -2.665 1 1 1510 . 15 1 1 A 121 121 SER H H 121 9.313 8.529 0.784 1 1 1511 . 15 1 1 A 121 121 SER HA H 121 4.552 4.619 -0.067 1 1 1514 . 15 1 1 A 121 121 SER C C 121 173.096 174.783 -1.687 1 1 1515 . 15 1 1 A 121 121 SER CA C 121 57.119 57.885 -0.766 1 1 1516 . 15 1 1 A 121 121 SER CB C 121 62.528 64.788 -2.260 1 1 1517 . 15 1 1 A 121 121 SER N N 121 122.117 115.865 6.252 1 1 1518 . 15 1 1 A 122 122 LEU H H 122 7.470 7.261 0.209 1 1 1519 . 15 1 1 A 122 122 LEU HA H 122 4.618 4.206 0.412 1 1 1529 . 15 1 1 A 122 122 LEU C C 122 176.526 176.706 -0.180 1 1 1530 . 15 1 1 A 122 122 LEU CA C 122 52.795 55.397 -2.602 1 1 1531 . 15 1 1 A 122 122 LEU CB C 122 45.790 42.477 3.313 1 1 1535 . 15 1 1 A 122 122 LEU N N 122 122.878 124.302 -1.424 1 1 1536 . 15 1 1 A 123 123 LEU H H 123 8.765 8.361 0.404 1 1 1537 . 15 1 1 A 123 123 LEU HA H 123 4.574 4.707 -0.133 1 1 1547 . 15 1 1 A 123 123 LEU C C 123 176.769 176.972 -0.203 1 1 1548 . 15 1 1 A 123 123 LEU CA C 123 53.748 52.756 0.992 1 1 1549 . 15 1 1 A 123 123 LEU CB C 123 40.649 42.784 -2.135 1 1 1553 . 15 1 1 A 123 123 LEU N N 123 122.054 122.417 -0.363 1 1 1554 . 15 1 1 A 124 124 PRO HA H 124 4.232 4.481 -0.249 1 1 1561 . 15 1 1 A 124 124 PRO CA C 124 66.281 64.043 2.238 1 1 1562 . 15 1 1 A 124 124 PRO CB C 124 31.945 31.779 0.166 1 1 1565 . 15 1 1 A 125 125 GLY HA2 H 125 3.901 3.907 -0.006 1 1 1566 . 15 1 1 A 125 125 GLY HA3 H 125 3.901 3.910 -0.009 1 1 1567 . 15 1 1 A 125 125 GLY C C 125 176.696 175.844 0.852 1 1 1568 . 15 1 1 A 125 125 GLY CA C 125 46.724 46.295 0.429 1 1 1569 . 15 1 1 A 126 126 GLN H H 126 7.495 7.875 -0.380 1 1 1570 . 15 1 1 A 126 126 GLN HA H 126 4.261 4.091 0.170 1 1 1577 . 15 1 1 A 126 126 GLN C C 126 178.235 178.063 0.172 1 1 1578 . 15 1 1 A 126 126 GLN CA C 126 57.807 58.703 -0.896 1 1 1579 . 15 1 1 A 126 126 GLN CB C 126 30.039 28.887 1.152 1 1 1581 . 15 1 1 A 126 126 GLN N N 126 120.404 121.687 -1.283 1 1 1583 . 15 1 1 A 127 127 VAL H H 127 7.839 7.850 -0.011 1 1 1584 . 15 1 1 A 127 127 VAL HA H 127 3.360 3.402 -0.042 1 1 1592 . 15 1 1 A 127 127 VAL C C 127 178.441 177.883 0.558 1 1 1593 . 15 1 1 A 127 127 VAL CA C 127 67.231 66.547 0.684 1 1 1594 . 15 1 1 A 127 127 VAL CB C 127 31.948 31.472 0.476 1 1 1597 . 15 1 1 A 127 127 VAL N N 127 121.180 119.653 1.527 1 1 1598 . 15 1 1 A 128 128 ILE H H 128 7.725 8.059 -0.334 1 1 1599 . 15 1 1 A 128 128 ILE HA H 128 3.820 3.648 0.172 1 1 1609 . 15 1 1 A 128 128 ILE C C 128 178.599 177.964 0.635 1 1 1610 . 15 1 1 A 128 128 ILE CA C 128 64.978 65.576 -0.598 1 1 1611 . 15 1 1 A 128 128 ILE CB C 128 37.976 37.584 0.392 1 1 1615 . 15 1 1 A 128 128 ILE N N 128 119.369 119.729 -0.360 1 1 1616 . 15 1 1 A 129 129 LYS H H 129 7.204 8.340 -1.136 1 1 1617 . 15 1 1 A 129 129 LYS HA H 129 4.241 3.912 0.329 1 1 1626 . 15 1 1 A 129 129 LYS C C 129 178.902 178.932 -0.030 1 1 1627 . 15 1 1 A 129 129 LYS CA C 129 58.690 59.386 -0.696 1 1 1628 . 15 1 1 A 129 129 LYS CB C 129 31.725 32.287 -0.562 1 1 1632 . 15 1 1 A 129 129 LYS N N 129 119.356 118.650 0.706 1 1 1633 . 15 1 1 A 130 130 LEU H H 130 7.750 7.462 0.288 1 1 1634 . 15 1 1 A 130 130 LEU HA H 130 3.649 3.632 0.017 1 1 1644 . 15 1 1 A 130 130 LEU C C 130 178.756 179.060 -0.304 1 1 1645 . 15 1 1 A 130 130 LEU CA C 130 57.913 57.912 0.001 1 1 1646 . 15 1 1 A 130 130 LEU CB C 130 40.197 41.418 -1.221 1 1 1650 . 15 1 1 A 130 130 LEU N N 130 118.271 119.616 -1.345 1 1 1651 . 15 1 1 A 131 131 HIS H H 131 7.732 8.200 -0.468 1 1 1652 . 15 1 1 A 131 131 HIS HA H 131 3.918 4.249 -0.331 1 1 1657 . 15 1 1 A 131 131 HIS C C 131 178.392 177.514 0.878 1 1 1658 . 15 1 1 A 131 131 HIS CA C 131 61.019 59.557 1.462 1 1 1659 . 15 1 1 A 131 131 HIS CB C 131 29.951 29.950 0.001 1 1 1662 . 15 1 1 A 131 131 HIS N N 131 117.308 117.160 0.148 1 1 1663 . 15 1 1 A 132 132 GLU H H 132 8.030 8.708 -0.678 1 1 1664 . 15 1 1 A 132 132 GLU HA H 132 4.097 3.857 0.240 1 1 1669 . 15 1 1 A 132 132 GLU C C 132 179.907 179.275 0.632 1 1 1670 . 15 1 1 A 132 132 GLU CA C 132 59.660 59.521 0.139 1 1 1671 . 15 1 1 A 132 132 GLU CB C 132 29.627 29.299 0.328 1 1 1673 . 15 1 1 A 132 132 GLU N N 132 121.443 118.994 2.449 1 1 1674 . 15 1 1 A 133 133 VAL H H 133 8.250 8.956 -0.706 1 1 1675 . 15 1 1 A 133 133 VAL HA H 133 3.352 3.231 0.121 1 1 1683 . 15 1 1 A 133 133 VAL C C 133 176.575 178.093 -1.518 1 1 1684 . 15 1 1 A 133 133 VAL CA C 133 66.367 66.354 0.013 1 1 1685 . 15 1 1 A 133 133 VAL CB C 133 31.203 31.337 -0.134 1 1 1688 . 15 1 1 A 133 133 VAL N N 133 121.281 120.208 1.073 1 1 1689 . 15 1 1 A 134 134 LEU H H 134 8.259 8.544 -0.285 1 1 1690 . 15 1 1 A 134 134 LEU HA H 134 3.645 3.822 -0.177 1 1 1700 . 15 1 1 A 134 134 LEU C C 134 177.980 178.212 -0.232 1 1 1701 . 15 1 1 A 134 134 LEU CA C 134 58.154 58.625 -0.471 1 1 1702 . 15 1 1 A 134 134 LEU CB C 134 40.320 42.038 -1.718 1 1 1706 . 15 1 1 A 134 134 LEU N N 134 120.134 120.481 -0.347 1 1 1707 . 15 1 1 A 135 135 GLU H H 135 7.611 8.456 -0.845 1 1 1708 . 15 1 1 A 135 135 GLU HA H 135 3.972 3.961 0.011 1 1 1713 . 15 1 1 A 135 135 GLU C C 135 179.834 179.395 0.439 1 1 1714 . 15 1 1 A 135 135 GLU CA C 135 59.325 59.601 -0.276 1 1 1715 . 15 1 1 A 135 135 GLU CB C 135 29.134 29.249 -0.115 1 1 1717 . 15 1 1 A 135 135 GLU N N 135 116.026 117.495 -1.469 1 1 1718 . 15 1 1 A 136 136 ARG H H 136 7.789 8.477 -0.688 1 1 1719 . 15 1 1 A 136 136 ARG HA H 136 4.140 4.099 0.041 1 1 1726 . 15 1 1 A 136 136 ARG C C 136 179.083 179.122 -0.039 1 1 1727 . 15 1 1 A 136 136 ARG CA C 136 59.131 59.523 -0.392 1 1 1728 . 15 1 1 A 136 136 ARG CB C 136 30.368 30.152 0.216 1 1 1731 . 15 1 1 A 136 136 ARG N N 136 119.681 120.696 -1.015 1 1 1732 . 15 1 1 A 137 137 GLU H H 137 9.238 8.420 0.818 1 1 1733 . 15 1 1 A 137 137 GLU HA H 137 4.637 4.205 0.432 1 1 1738 . 15 1 1 A 137 137 GLU C C 137 178.817 179.289 -0.472 1 1 1739 . 15 1 1 A 137 137 GLU CA C 137 58.036 59.461 -1.425 1 1 1740 . 15 1 1 A 137 137 GLU CB C 137 28.147 29.116 -0.969 1 1 1742 . 15 1 1 A 137 137 GLU N N 137 124.333 118.425 5.908 1 1 1743 . 15 1 1 A 138 138 LYS H H 138 8.788 8.652 0.136 1 1 1744 . 15 1 1 A 138 138 LYS HA H 138 3.899 3.924 -0.025 1 1 1753 . 15 1 1 A 138 138 LYS C C 138 179.944 179.420 0.524 1 1 1754 . 15 1 1 A 138 138 LYS CA C 138 60.754 59.559 1.195 1 1 1755 . 15 1 1 A 138 138 LYS CB C 138 32.789 32.357 0.432 1 1 1759 . 15 1 1 A 138 138 LYS N N 138 119.622 119.671 -0.049 1 1 1760 . 15 1 1 A 139 139 LYS H H 139 7.313 7.586 -0.273 1 1 1761 . 15 1 1 A 139 139 LYS HA H 139 4.070 3.975 0.095 1 1 1770 . 15 1 1 A 139 139 LYS C C 139 178.235 178.740 -0.505 1 1 1771 . 15 1 1 A 139 139 LYS CA C 139 59.166 60.084 -0.918 1 1 1772 . 15 1 1 A 139 139 LYS CB C 139 32.424 32.288 0.136 1 1 1776 . 15 1 1 A 139 139 LYS N N 139 117.326 119.514 -2.188 1 1 1777 . 15 1 1 A 140 140 ARG H H 140 8.344 8.005 0.339 1 1 1778 . 15 1 1 A 140 140 ARG HA H 140 4.080 4.018 0.062 1 1 1786 . 15 1 1 A 140 140 ARG C C 140 179.531 178.838 0.693 1 1 1787 . 15 1 1 A 140 140 ARG CA C 140 59.184 59.421 -0.237 1 1 1788 . 15 1 1 A 140 140 ARG CB C 140 31.190 29.972 1.218 1 1 1791 . 15 1 1 A 140 140 ARG N N 140 121.404 119.671 1.733 1 1 1793 . 15 1 1 A 141 141 ARG H H 141 8.171 7.831 0.340 1 1 1794 . 15 1 1 A 141 141 ARG HA H 141 4.034 4.374 -0.340 1 1 1802 . 15 1 1 A 141 141 ARG C C 141 178.671 178.958 -0.287 1 1 1803 . 15 1 1 A 141 141 ARG CA C 141 58.337 58.910 -0.573 1 1 1804 . 15 1 1 A 141 141 ARG CB C 141 30.327 29.843 0.484 1 1 1807 . 15 1 1 A 141 141 ARG N N 141 115.667 118.391 -2.724 1 1 1809 . 15 1 1 A 142 142 ILE H H 142 7.521 8.643 -1.122 1 1 1810 . 15 1 1 A 142 142 ILE HA H 142 4.074 3.700 0.374 1 1 1820 . 15 1 1 A 142 142 ILE C C 142 177.787 177.973 -0.186 1 1 1821 . 15 1 1 A 142 142 ILE CA C 142 63.178 64.893 -1.715 1 1 1822 . 15 1 1 A 142 142 ILE CB C 142 38.346 37.902 0.444 1 1 1826 . 15 1 1 A 142 142 ILE N N 142 118.031 120.876 -2.845 1 1 1827 . 15 1 1 A 143 143 GLU H H 143 8.041 8.134 -0.093 1 1 1828 . 15 1 1 A 143 143 GLU HA H 143 4.251 4.110 0.141 1 1 1833 . 15 1 1 A 143 143 GLU C C 143 177.217 176.549 0.668 1 1 1834 . 15 1 1 A 143 143 GLU CA C 143 57.595 59.697 -2.102 1 1 1835 . 15 1 1 A 143 143 GLU CB C 143 29.998 29.477 0.521 1 1 1837 . 15 1 1 A 143 143 GLU N N 143 120.963 120.561 0.402 1 1 1838 . 15 1 1 A 144 144 SER H H 144 8.041 7.799 0.242 1 1 1839 . 15 1 1 A 144 144 SER HA H 144 4.538 4.867 -0.329 1 1 1842 . 15 1 1 A 144 144 SER C C 144 174.721 173.000 1.721 1 1 1843 . 15 1 1 A 144 144 SER CA C 144 58.801 56.757 2.044 1 1 1844 . 15 1 1 A 144 144 SER CB C 144 64.126 66.488 -2.362 1 1 1845 . 15 1 1 A 144 144 SER N N 144 114.646 111.627 3.019 1 1 1846 . 15 1 1 A 145 145 GLY H H 145 7.982 8.407 -0.425 1 1 1847 . 15 1 1 A 145 145 GLY HA2 H 145 4.102 4.142 -0.040 1 1 1848 . 15 1 1 A 145 145 GLY HA3 H 145 4.231 4.144 0.087 1 1 1849 . 15 1 1 A 145 145 GLY C C 145 171.800 172.461 -0.661 1 1 1850 . 15 1 1 A 145 145 GLY CA C 145 44.854 44.475 0.379 1 1 1851 . 15 1 1 A 145 145 GLY N N 145 110.299 112.421 -2.122 1 1 1852 . 15 1 1 A 146 146 PRO HA H 146 4.510 4.681 -0.171 1 1 1859 . 15 1 1 A 146 146 PRO C C 146 177.496 175.061 2.435 1 1 1860 . 15 1 1 A 146 146 PRO CA C 146 63.313 62.614 0.699 1 1 1861 . 15 1 1 A 146 146 PRO CB C 146 32.177 33.464 -1.287 1 1 1864 . 15 1 1 A 147 147 SER H H 147 8.530 8.490 0.040 1 1 1865 . 15 1 1 A 147 147 SER C C 147 174.721 173.668 1.053 1 1 1866 . 15 1 1 A 147 147 SER CA C 147 58.390 57.983 0.407 1 1 1867 . 15 1 1 A 147 147 SER CB C 147 63.803 65.906 -2.103 1 1 1868 . 15 1 1 A 147 147 SER N N 147 116.436 116.030 0.406 1 1 1869 . 15 1 1 A 148 148 SER H H 148 8.348 8.719 -0.371 1 1 1870 . 15 1 1 A 148 148 SER C C 148 173.957 174.986 -1.029 1 1 1871 . 15 1 1 A 148 148 SER CA C 148 58.372 59.775 -1.403 1 1 1872 . 15 1 1 A 148 148 SER CB C 148 64.008 65.547 -1.539 1 1 1 . 16 1 1 A 8 8 GLN HA H 8 4.221 3.861 0.360 1 1 8 . 16 1 1 A 8 8 GLN CA C 8 56.851 56.681 0.170 1 1 9 . 16 1 1 A 8 8 GLN CB C 8 28.887 27.301 1.586 1 1 12 . 16 1 1 A 9 9 GLU H H 9 8.480 8.151 0.329 1 1 13 . 16 1 1 A 9 9 GLU HA H 9 4.166 4.663 -0.497 1 1 18 . 16 1 1 A 9 9 GLU CA C 9 58.333 55.866 2.467 1 1 19 . 16 1 1 A 9 9 GLU CB C 9 29.545 31.113 -1.568 1 1 21 . 16 1 1 A 9 9 GLU N N 9 121.149 119.796 1.353 1 1 22 . 16 1 1 A 10 10 ARG H H 10 8.336 8.760 -0.424 1 1 23 . 16 1 1 A 10 10 ARG HA H 10 4.131 4.752 -0.621 1 1 30 . 16 1 1 A 10 10 ARG C C 10 177.350 175.155 2.195 1 1 31 . 16 1 1 A 10 10 ARG CA C 10 57.731 54.782 2.949 1 1 32 . 16 1 1 A 10 10 ARG CB C 10 30.061 31.049 -0.988 1 1 35 . 16 1 1 A 10 10 ARG N N 10 120.177 123.209 -3.032 1 1 36 . 16 1 1 A 11 11 LEU H H 11 7.741 8.514 -0.773 1 1 37 . 16 1 1 A 11 11 LEU HA H 11 4.219 4.572 -0.353 1 1 44 . 16 1 1 A 11 11 LEU CA C 11 56.781 54.086 2.695 1 1 45 . 16 1 1 A 11 11 LEU CB C 11 41.875 42.270 -0.395 1 1 49 . 16 1 1 A 11 11 LEU N N 11 120.410 126.002 -5.592 1 1 50 . 16 1 1 A 12 12 LYS H H 12 7.816 8.769 -0.953 1 1 51 . 16 1 1 A 12 12 LYS HA H 12 4.091 4.366 -0.275 1 1 60 . 16 1 1 A 12 12 LYS CA C 12 58.234 58.171 0.063 1 1 61 . 16 1 1 A 12 12 LYS CB C 12 32.530 32.850 -0.320 1 1 65 . 16 1 1 A 12 12 LYS N N 12 119.365 121.445 -2.080 1 1 66 . 16 1 1 A 13 13 ILE H H 13 7.851 7.736 0.115 1 1 67 . 16 1 1 A 13 13 ILE HA H 13 3.951 4.166 -0.215 1 1 77 . 16 1 1 A 13 13 ILE C C 13 176.914 175.902 1.012 1 1 78 . 16 1 1 A 13 13 ILE CA C 13 62.713 60.910 1.803 1 1 79 . 16 1 1 A 13 13 ILE CB C 13 38.264 38.912 -0.648 1 1 83 . 16 1 1 A 14 14 THR H H 14 7.750 8.568 -0.818 1 1 84 . 16 1 1 A 14 14 THR HA H 14 4.021 4.786 -0.765 1 1 88 . 16 1 1 A 14 14 THR C C 14 174.818 172.451 2.367 1 1 89 . 16 1 1 A 14 14 THR CA C 14 63.172 61.150 2.022 1 1 90 . 16 1 1 A 14 14 THR CB C 14 68.985 70.352 -1.367 1 1 92 . 16 1 1 A 14 14 THR N N 14 110.999 119.068 -8.069 1 1 93 . 16 1 1 A 15 15 ALA H H 15 7.922 8.434 -0.512 1 1 94 . 16 1 1 A 15 15 ALA HA H 15 4.141 4.353 -0.212 1 1 98 . 16 1 1 A 15 15 ALA C C 15 177.593 176.948 0.645 1 1 99 . 16 1 1 A 15 15 ALA CA C 15 53.007 52.952 0.055 1 1 100 . 16 1 1 A 15 15 ALA CB C 15 18.747 19.671 -0.924 1 1 101 . 16 1 1 A 15 15 ALA N N 15 122.429 126.483 -4.054 1 1 102 . 16 1 1 A 16 16 LEU H H 16 7.442 7.850 -0.408 1 1 103 . 16 1 1 A 16 16 LEU HA H 16 4.653 4.410 0.243 1 1 112 . 16 1 1 A 16 16 LEU C C 16 173.182 174.868 -1.686 1 1 113 . 16 1 1 A 16 16 LEU CA C 16 51.524 53.802 -2.278 1 1 114 . 16 1 1 A 16 16 LEU CB C 16 45.831 41.661 4.170 1 1 118 . 16 1 1 A 16 16 LEU N N 16 120.226 118.940 1.286 1 1 119 . 16 1 1 A 17 17 PRO HA H 17 4.140 4.600 -0.460 1 1 126 . 16 1 1 A 17 17 PRO C C 17 174.296 176.165 -1.869 1 1 127 . 16 1 1 A 17 17 PRO CA C 17 62.007 62.139 -0.132 1 1 128 . 16 1 1 A 17 17 PRO CB C 17 32.013 31.693 0.320 1 1 131 . 16 1 1 A 18 18 LEU H H 18 8.071 8.097 -0.026 1 1 132 . 16 1 1 A 18 18 LEU HA H 18 4.097 4.111 -0.014 1 1 142 . 16 1 1 A 18 18 LEU C C 18 176.974 175.296 1.678 1 1 143 . 16 1 1 A 18 18 LEU CA C 18 55.043 55.647 -0.604 1 1 144 . 16 1 1 A 18 18 LEU CB C 18 42.376 42.263 0.113 1 1 148 . 16 1 1 A 18 18 LEU N N 18 119.963 123.755 -3.792 1 1 149 . 16 1 1 A 19 19 TYR H H 19 9.108 8.879 0.229 1 1 150 . 16 1 1 A 19 19 TYR HA H 19 5.121 4.631 0.490 1 1 157 . 16 1 1 A 19 19 TYR C C 19 174.515 175.372 -0.857 1 1 158 . 16 1 1 A 19 19 TYR CA C 19 55.160 58.828 -3.668 1 1 159 . 16 1 1 A 19 19 TYR CB C 19 39.292 40.797 -1.505 1 1 164 . 16 1 1 A 19 19 TYR N N 19 127.955 123.779 4.176 1 1 165 . 16 1 1 A 20 20 PHE H H 20 7.560 6.940 0.620 1 1 166 . 16 1 1 A 20 20 PHE HA H 20 4.281 4.608 -0.327 1 1 174 . 16 1 1 A 20 20 PHE C C 20 171.170 173.170 -2.000 1 1 175 . 16 1 1 A 20 20 PHE CA C 20 57.031 57.834 -0.803 1 1 176 . 16 1 1 A 20 20 PHE CB C 20 40.937 41.910 -0.973 1 1 182 . 16 1 1 A 20 20 PHE N N 20 115.328 116.677 -1.349 1 1 183 . 16 1 1 A 21 21 GLU H H 21 5.556 8.651 -3.095 1 1 184 . 16 1 1 A 21 21 GLU HA H 21 5.191 4.883 0.308 1 1 189 . 16 1 1 A 21 21 GLU C C 21 173.024 174.465 -1.441 1 1 190 . 16 1 1 A 21 21 GLU CA C 21 53.025 53.904 -0.879 1 1 191 . 16 1 1 A 21 21 GLU CB C 21 31.760 33.285 -1.525 1 1 193 . 16 1 1 A 21 21 GLU N N 21 118.643 122.755 -4.112 1 1 194 . 16 1 1 A 22 22 GLY H H 22 7.721 7.702 0.019 1 1 195 . 16 1 1 A 22 22 GLY HA2 H 22 4.024 3.937 0.087 1 1 196 . 16 1 1 A 22 22 GLY HA3 H 22 3.107 4.017 -0.910 1 1 197 . 16 1 1 A 22 22 GLY C C 22 171.994 171.881 0.113 1 1 198 . 16 1 1 A 22 22 GLY CA C 22 45.013 45.742 -0.729 1 1 199 . 16 1 1 A 22 22 GLY N N 22 106.155 106.973 -0.818 1 1 200 . 16 1 1 A 23 23 PHE H H 23 8.881 8.740 0.141 1 1 201 . 16 1 1 A 23 23 PHE HA H 23 5.303 4.808 0.495 1 1 209 . 16 1 1 A 23 23 PHE C C 23 176.926 175.175 1.751 1 1 210 . 16 1 1 A 23 23 PHE CA C 23 60.013 59.492 0.521 1 1 211 . 16 1 1 A 23 23 PHE CB C 23 40.937 39.098 1.839 1 1 217 . 16 1 1 A 23 23 PHE N N 23 119.442 121.007 -1.565 1 1 218 . 16 1 1 A 24 24 LEU H H 24 9.072 8.829 0.243 1 1 219 . 16 1 1 A 24 24 LEU HA H 24 4.562 4.948 -0.386 1 1 229 . 16 1 1 A 24 24 LEU C C 24 174.406 174.411 -0.005 1 1 230 . 16 1 1 A 24 24 LEU CA C 24 54.437 53.595 0.842 1 1 231 . 16 1 1 A 24 24 LEU CB C 24 48.381 44.783 3.598 1 1 235 . 16 1 1 A 24 24 LEU N N 24 122.488 125.975 -3.487 1 1 236 . 16 1 1 A 25 25 LEU H H 25 8.120 8.258 -0.138 1 1 237 . 16 1 1 A 25 25 LEU HA H 25 5.480 5.288 0.192 1 1 247 . 16 1 1 A 25 25 LEU C C 25 176.175 175.751 0.424 1 1 248 . 16 1 1 A 25 25 LEU CA C 25 54.242 53.282 0.960 1 1 249 . 16 1 1 A 25 25 LEU CB C 25 42.576 42.546 0.030 1 1 253 . 16 1 1 A 25 25 LEU N N 25 120.790 125.664 -4.874 1 1 254 . 16 1 1 A 26 26 ILE H H 26 9.110 8.501 0.609 1 1 255 . 16 1 1 A 26 26 ILE HA H 26 5.232 4.552 0.680 1 1 265 . 16 1 1 A 26 26 ILE C C 26 174.757 174.465 0.292 1 1 266 . 16 1 1 A 26 26 ILE CA C 26 57.613 59.902 -2.289 1 1 267 . 16 1 1 A 26 26 ILE CB C 26 41.343 40.060 1.283 1 1 271 . 16 1 1 A 26 26 ILE N N 26 120.679 125.119 -4.440 1 1 272 . 16 1 1 A 27 27 LYS H H 27 9.150 8.401 0.749 1 1 273 . 16 1 1 A 27 27 LYS HA H 27 4.425 4.142 0.283 1 1 282 . 16 1 1 A 27 27 LYS C C 27 175.557 175.302 0.255 1 1 283 . 16 1 1 A 27 27 LYS CA C 27 56.095 54.788 1.307 1 1 284 . 16 1 1 A 27 27 LYS CB C 27 35.056 32.088 2.968 1 1 288 . 16 1 1 A 27 27 LYS N N 27 127.778 129.004 -1.226 1 1 289 . 16 1 1 A 28 28 ARG H H 28 5.868 7.533 -1.665 1 1 290 . 16 1 1 A 28 28 ARG HA H 28 4.429 4.344 0.085 1 1 298 . 16 1 1 A 28 28 ARG C C 28 176.078 175.762 0.316 1 1 299 . 16 1 1 A 28 28 ARG CA C 28 54.542 56.312 -1.770 1 1 300 . 16 1 1 A 28 28 ARG CB C 28 31.602 31.414 0.188 1 1 303 . 16 1 1 A 28 28 ARG N N 28 124.548 123.524 1.024 1 1 305 . 16 1 1 A 29 29 SER H H 29 9.067 8.674 0.393 1 1 306 . 16 1 1 A 29 29 SER HA H 29 4.181 4.490 -0.309 1 1 309 . 16 1 1 A 29 29 SER C C 29 176.066 174.646 1.420 1 1 310 . 16 1 1 A 29 29 SER CA C 29 61.019 58.822 2.197 1 1 311 . 16 1 1 A 29 29 SER CB C 29 63.057 62.259 0.798 1 1 312 . 16 1 1 A 29 29 SER N N 29 116.823 115.863 0.960 1 1 313 . 16 1 1 A 30 30 GLY HA2 H 30 3.810 4.036 -0.226 1 1 314 . 16 1 1 A 30 30 GLY HA3 H 30 4.172 4.069 0.103 1 1 315 . 16 1 1 A 30 30 GLY CA C 30 45.171 45.563 -0.392 1 1 316 . 16 1 1 A 31 31 TYR H H 31 8.001 8.454 -0.453 1 1 317 . 16 1 1 A 31 31 TYR HA H 31 4.729 4.747 -0.018 1 1 324 . 16 1 1 A 31 31 TYR CB C 31 37.249 40.381 -3.132 1 1 329 . 16 1 1 A 31 31 TYR N N 31 121.120 118.639 2.481 1 1 330 . 16 1 1 A 32 32 ARG HA H 32 4.204 4.135 0.069 1 1 337 . 16 1 1 A 32 32 ARG C C 32 176.066 174.644 1.422 1 1 338 . 16 1 1 A 32 32 ARG CA C 32 57.631 57.770 -0.139 1 1 339 . 16 1 1 A 32 32 ARG CB C 32 30.861 30.119 0.742 1 1 342 . 16 1 1 A 33 33 GLU H H 33 7.700 7.973 -0.273 1 1 343 . 16 1 1 A 33 33 GLU HA H 33 4.600 4.722 -0.122 1 1 348 . 16 1 1 A 33 33 GLU C C 33 175.569 174.977 0.592 1 1 349 . 16 1 1 A 33 33 GLU CA C 33 53.695 54.800 -1.105 1 1 350 . 16 1 1 A 33 33 GLU CB C 33 33.000 32.273 0.727 1 1 352 . 16 1 1 A 33 33 GLU N N 33 115.988 118.021 -2.033 1 1 353 . 16 1 1 A 34 34 TYR H H 34 8.755 8.599 0.156 1 1 354 . 16 1 1 A 34 34 TYR HA H 34 4.311 4.281 0.030 1 1 361 . 16 1 1 A 34 34 TYR C C 34 176.999 176.044 0.955 1 1 362 . 16 1 1 A 34 34 TYR CA C 34 59.537 59.449 0.088 1 1 363 . 16 1 1 A 34 34 TYR CB C 34 39.744 39.125 0.619 1 1 368 . 16 1 1 A 34 34 TYR N N 34 118.663 122.984 -4.321 1 1 369 . 16 1 1 A 35 35 GLU H H 35 9.024 8.345 0.679 1 1 370 . 16 1 1 A 35 35 GLU HA H 35 4.401 4.849 -0.448 1 1 375 . 16 1 1 A 35 35 GLU C C 35 174.406 175.355 -0.949 1 1 376 . 16 1 1 A 35 35 GLU CA C 35 54.330 54.941 -0.611 1 1 377 . 16 1 1 A 35 35 GLU CB C 35 31.972 33.235 -1.263 1 1 379 . 16 1 1 A 35 35 GLU N N 35 122.488 122.800 -0.312 1 1 380 . 16 1 1 A 36 36 HIS H H 36 8.639 8.824 -0.185 1 1 381 . 16 1 1 A 36 36 HIS HA H 36 4.980 5.060 -0.080 1 1 386 . 16 1 1 A 36 36 HIS C C 36 174.127 174.436 -0.309 1 1 387 . 16 1 1 A 36 36 HIS CA C 36 55.607 54.754 0.853 1 1 388 . 16 1 1 A 36 36 HIS CB C 36 31.396 30.433 0.963 1 1 391 . 16 1 1 A 36 36 HIS N N 36 123.767 120.557 3.210 1 1 392 . 16 1 1 A 37 37 TYR H H 37 8.931 9.069 -0.138 1 1 393 . 16 1 1 A 37 37 TYR HA H 37 5.668 5.003 0.665 1 1 400 . 16 1 1 A 37 37 TYR C C 37 177.969 174.920 3.049 1 1 401 . 16 1 1 A 37 37 TYR CA C 37 55.407 56.623 -1.216 1 1 402 . 16 1 1 A 37 37 TYR CB C 37 42.089 42.265 -0.176 1 1 407 . 16 1 1 A 37 37 TYR N N 37 124.075 121.513 2.562 1 1 408 . 16 1 1 A 38 38 TRP H H 38 8.931 9.135 -0.204 1 1 409 . 16 1 1 A 38 38 TRP HA H 38 4.329 4.984 -0.655 1 1 418 . 16 1 1 A 38 38 TRP C C 38 174.345 175.433 -1.088 1 1 419 . 16 1 1 A 38 38 TRP CA C 38 58.230 56.220 2.010 1 1 420 . 16 1 1 A 38 38 TRP CB C 38 28.846 29.193 -0.347 1 1 426 . 16 1 1 A 38 38 TRP N N 38 125.317 127.153 -1.836 1 1 428 . 16 1 1 A 39 39 THR H H 39 8.366 8.968 -0.602 1 1 429 . 16 1 1 A 39 39 THR HA H 39 5.535 5.055 0.480 1 1 434 . 16 1 1 A 39 39 THR C C 39 173.303 174.229 -0.926 1 1 435 . 16 1 1 A 39 39 THR CA C 39 62.037 61.921 0.116 1 1 436 . 16 1 1 A 39 39 THR CB C 39 70.295 70.419 -0.124 1 1 438 . 16 1 1 A 39 39 THR N N 39 127.024 122.028 4.996 1 1 439 . 16 1 1 A 40 40 GLU H H 40 8.902 9.673 -0.771 1 1 440 . 16 1 1 A 40 40 GLU HA H 40 4.816 5.076 -0.260 1 1 445 . 16 1 1 A 40 40 GLU C C 40 175.351 174.865 0.486 1 1 446 . 16 1 1 A 40 40 GLU CA C 40 53.607 54.914 -1.307 1 1 447 . 16 1 1 A 40 40 GLU CB C 40 34.639 33.427 1.212 1 1 449 . 16 1 1 A 40 40 GLU N N 40 120.613 123.533 -2.920 1 1 450 . 16 1 1 A 41 41 LEU H H 41 8.910 8.966 -0.056 1 1 451 . 16 1 1 A 41 41 LEU HA H 41 5.168 5.198 -0.030 1 1 461 . 16 1 1 A 41 41 LEU C C 41 174.806 175.226 -0.420 1 1 462 . 16 1 1 A 41 41 LEU CA C 41 53.872 54.563 -0.691 1 1 463 . 16 1 1 A 41 41 LEU CB C 41 43.610 43.548 0.062 1 1 467 . 16 1 1 A 41 41 LEU N N 41 123.682 127.700 -4.018 1 1 468 . 16 1 1 A 42 42 ARG H H 42 9.150 8.877 0.273 1 1 469 . 16 1 1 A 42 42 ARG HA H 42 5.182 4.721 0.461 1 1 474 . 16 1 1 A 42 42 ARG C C 42 176.272 176.405 -0.133 1 1 475 . 16 1 1 A 42 42 ARG CA C 42 53.643 54.842 -1.199 1 1 476 . 16 1 1 A 42 42 ARG CB C 42 33.205 33.426 -0.221 1 1 479 . 16 1 1 A 42 42 ARG N N 42 127.645 125.594 2.051 1 1 480 . 16 1 1 A 43 43 GLY H H 43 6.304 8.312 -2.008 1 1 481 . 16 1 1 A 43 43 GLY HA2 H 43 3.917 3.917 0.000 1 1 482 . 16 1 1 A 43 43 GLY HA3 H 43 3.812 4.067 -0.255 1 1 483 . 16 1 1 A 43 43 GLY C C 43 171.630 174.708 -3.078 1 1 484 . 16 1 1 A 43 43 GLY CA C 43 47.025 47.402 -0.377 1 1 485 . 16 1 1 A 43 43 GLY N N 43 112.565 113.271 -0.706 1 1 486 . 16 1 1 A 44 44 THR H H 44 7.841 8.411 -0.570 1 1 487 . 16 1 1 A 44 44 THR HA H 44 4.313 4.746 -0.433 1 1 492 . 16 1 1 A 44 44 THR C C 44 172.515 173.460 -0.945 1 1 493 . 16 1 1 A 44 44 THR CA C 44 60.207 60.802 -0.595 1 1 494 . 16 1 1 A 44 44 THR CB C 44 68.320 69.611 -1.291 1 1 496 . 16 1 1 A 44 44 THR N N 44 111.769 117.926 -6.157 1 1 497 . 16 1 1 A 45 45 THR H H 45 8.500 7.881 0.619 1 1 498 . 16 1 1 A 45 45 THR HA H 45 4.664 4.703 -0.039 1 1 503 . 16 1 1 A 45 45 THR C C 45 172.224 173.481 -1.257 1 1 504 . 16 1 1 A 45 45 THR CA C 45 62.413 61.666 0.747 1 1 505 . 16 1 1 A 45 45 THR CB C 45 69.848 70.600 -0.752 1 1 507 . 16 1 1 A 45 45 THR N N 45 118.681 116.755 1.926 1 1 508 . 16 1 1 A 46 46 LEU H H 46 8.391 8.442 -0.051 1 1 509 . 16 1 1 A 46 46 LEU HA H 46 4.892 4.534 0.358 1 1 519 . 16 1 1 A 46 46 LEU C C 46 174.260 175.625 -1.365 1 1 520 . 16 1 1 A 46 46 LEU CA C 46 52.654 55.041 -2.387 1 1 521 . 16 1 1 A 46 46 LEU CB C 46 42.911 41.595 1.316 1 1 525 . 16 1 1 A 46 46 LEU N N 46 125.559 128.114 -2.555 1 1 526 . 16 1 1 A 47 47 PHE H H 47 9.131 9.113 0.018 1 1 527 . 16 1 1 A 47 47 PHE HA H 47 3.940 4.774 -0.834 1 1 535 . 16 1 1 A 47 47 PHE C C 47 173.363 174.585 -1.222 1 1 536 . 16 1 1 A 47 47 PHE CA C 47 57.454 55.862 1.592 1 1 537 . 16 1 1 A 47 47 PHE CB C 47 42.747 41.261 1.486 1 1 543 . 16 1 1 A 47 47 PHE N N 47 121.095 124.029 -2.934 1 1 544 . 16 1 1 A 48 48 PHE H H 48 7.881 8.826 -0.945 1 1 545 . 16 1 1 A 48 48 PHE HA H 48 5.021 5.139 -0.118 1 1 553 . 16 1 1 A 48 48 PHE C C 48 173.727 174.300 -0.573 1 1 554 . 16 1 1 A 48 48 PHE CA C 48 56.166 56.049 0.117 1 1 555 . 16 1 1 A 48 48 PHE CB C 48 39.169 42.051 -2.882 1 1 561 . 16 1 1 A 48 48 PHE N N 48 120.063 121.264 -1.201 1 1 562 . 16 1 1 A 49 49 TYR H H 49 9.972 8.700 1.272 1 1 563 . 16 1 1 A 49 49 TYR HA H 49 5.190 5.072 0.118 1 1 570 . 16 1 1 A 49 49 TYR C C 49 176.587 176.533 0.054 1 1 571 . 16 1 1 A 49 49 TYR CA C 49 56.254 56.988 -0.734 1 1 572 . 16 1 1 A 49 49 TYR CB C 49 41.842 42.426 -0.584 1 1 577 . 16 1 1 A 49 49 TYR N N 49 121.415 120.317 1.098 1 1 578 . 16 1 1 A 50 50 THR H H 50 9.511 8.795 0.716 1 1 579 . 16 1 1 A 50 50 THR HA H 50 4.571 4.411 0.160 1 1 584 . 16 1 1 A 50 50 THR C C 50 174.793 174.135 0.658 1 1 585 . 16 1 1 A 50 50 THR CA C 50 65.361 65.067 0.294 1 1 586 . 16 1 1 A 50 50 THR CB C 50 69.043 68.988 0.055 1 1 588 . 16 1 1 A 50 50 THR N N 50 114.446 117.466 -3.020 1 1 589 . 16 1 1 A 51 51 ASP H H 51 7.828 7.884 -0.056 1 1 590 . 16 1 1 A 51 51 ASP HA H 51 4.803 5.092 -0.289 1 1 593 . 16 1 1 A 51 51 ASP C C 51 174.685 175.611 -0.926 1 1 594 . 16 1 1 A 51 51 ASP CA C 51 53.254 53.371 -0.117 1 1 595 . 16 1 1 A 51 51 ASP CB C 51 43.586 43.626 -0.040 1 1 596 . 16 1 1 A 51 51 ASP N N 51 115.656 119.715 -4.059 1 1 597 . 16 1 1 A 52 52 LYS H H 52 8.271 8.499 -0.228 1 1 598 . 16 1 1 A 52 52 LYS HA H 52 2.800 3.790 -0.990 1 1 607 . 16 1 1 A 52 52 LYS C C 52 176.671 178.318 -1.647 1 1 608 . 16 1 1 A 52 52 LYS CA C 52 58.372 59.815 -1.443 1 1 609 . 16 1 1 A 52 52 LYS CB C 52 32.178 31.992 0.186 1 1 613 . 16 1 1 A 52 52 LYS N N 52 119.009 123.210 -4.201 1 1 614 . 16 1 1 A 53 53 LYS H H 53 8.068 8.042 0.026 1 1 615 . 16 1 1 A 53 53 LYS HA H 53 4.109 4.122 -0.013 1 1 624 . 16 1 1 A 53 53 LYS C C 53 176.950 176.736 0.214 1 1 625 . 16 1 1 A 53 53 LYS CA C 53 55.830 58.988 -3.158 1 1 626 . 16 1 1 A 53 53 LYS CB C 53 32.301 32.208 0.093 1 1 630 . 16 1 1 A 53 53 LYS N N 53 116.395 119.900 -3.505 1 1 631 . 16 1 1 A 54 54 SER H H 54 7.549 7.454 0.095 1 1 632 . 16 1 1 A 54 54 SER HA H 54 4.316 4.456 -0.140 1 1 635 . 16 1 1 A 54 54 SER C C 54 174.394 174.284 0.110 1 1 636 . 16 1 1 A 54 54 SER CA C 54 59.395 59.262 0.133 1 1 637 . 16 1 1 A 54 54 SER CB C 54 64.337 63.818 0.519 1 1 638 . 16 1 1 A 54 54 SER N N 54 116.653 114.102 2.551 1 1 639 . 16 1 1 A 55 55 ILE H H 55 8.424 8.719 -0.295 1 1 640 . 16 1 1 A 55 55 ILE HA H 55 4.267 4.017 0.250 1 1 650 . 16 1 1 A 55 55 ILE C C 55 174.999 176.915 -1.916 1 1 651 . 16 1 1 A 55 55 ILE CA C 55 62.213 64.385 -2.172 1 1 652 . 16 1 1 A 55 55 ILE CB C 55 38.728 38.725 0.003 1 1 656 . 16 1 1 A 55 55 ILE N N 55 118.660 125.536 -6.876 1 1 657 . 16 1 1 A 56 56 ILE H H 56 7.771 8.096 -0.325 1 1 658 . 16 1 1 A 56 56 ILE HA H 56 4.561 4.283 0.278 1 1 668 . 16 1 1 A 56 56 ILE C C 56 175.266 176.130 -0.864 1 1 669 . 16 1 1 A 56 56 ILE CA C 56 59.342 63.062 -3.720 1 1 670 . 16 1 1 A 56 56 ILE CB C 56 39.506 38.544 0.962 1 1 674 . 16 1 1 A 56 56 ILE N N 56 119.568 118.880 0.688 1 1 675 . 16 1 1 A 57 57 TYR H H 57 7.251 8.267 -1.016 1 1 676 . 16 1 1 A 57 57 TYR HA H 57 4.261 4.988 -0.727 1 1 683 . 16 1 1 A 57 57 TYR C C 57 174.902 175.013 -0.111 1 1 684 . 16 1 1 A 57 57 TYR CA C 57 56.201 57.070 -0.869 1 1 685 . 16 1 1 A 57 57 TYR CB C 57 37.230 40.025 -2.795 1 1 690 . 16 1 1 A 58 58 VAL H H 58 9.157 8.229 0.928 1 1 691 . 16 1 1 A 58 58 VAL HA H 58 4.251 3.880 0.371 1 1 699 . 16 1 1 A 58 58 VAL C C 58 175.812 174.580 1.232 1 1 700 . 16 1 1 A 58 58 VAL CA C 58 62.360 63.618 -1.258 1 1 701 . 16 1 1 A 58 58 VAL CB C 58 33.123 33.053 0.070 1 1 704 . 16 1 1 A 58 58 VAL N N 58 116.888 119.904 -3.016 1 1 705 . 16 1 1 A 59 59 ASP H H 59 7.990 6.699 1.291 1 1 706 . 16 1 1 A 59 59 ASP HA H 59 4.970 4.410 0.560 1 1 709 . 16 1 1 A 59 59 ASP C C 59 172.346 173.984 -1.638 1 1 710 . 16 1 1 A 59 59 ASP CA C 59 52.601 53.312 -0.711 1 1 711 . 16 1 1 A 59 59 ASP CB C 59 42.952 43.849 -0.897 1 1 712 . 16 1 1 A 59 59 ASP N N 59 117.301 119.208 -1.907 1 1 713 . 16 1 1 A 60 60 LYS H H 60 8.991 8.813 0.178 1 1 714 . 16 1 1 A 60 60 LYS HA H 60 4.761 4.365 0.396 1 1 723 . 16 1 1 A 60 60 LYS C C 60 173.666 174.111 -0.445 1 1 724 . 16 1 1 A 60 60 LYS CA C 60 54.718 54.127 0.591 1 1 725 . 16 1 1 A 60 60 LYS CB C 60 35.097 36.641 -1.544 1 1 729 . 16 1 1 A 60 60 LYS N N 60 118.648 118.059 0.589 1 1 730 . 16 1 1 A 61 61 LEU H H 61 8.702 8.846 -0.144 1 1 731 . 16 1 1 A 61 61 LEU HA H 61 4.462 4.930 -0.468 1 1 741 . 16 1 1 A 61 61 LEU C C 61 173.630 174.686 -1.056 1 1 742 . 16 1 1 A 61 61 LEU CA C 61 54.065 53.246 0.819 1 1 743 . 16 1 1 A 61 61 LEU CB C 61 47.032 46.684 0.348 1 1 747 . 16 1 1 A 61 61 LEU N N 61 121.890 120.335 1.555 1 1 748 . 16 1 1 A 62 62 ASP H H 62 8.868 8.576 0.292 1 1 749 . 16 1 1 A 62 62 ASP HA H 62 4.841 5.047 -0.206 1 1 752 . 16 1 1 A 62 62 ASP C C 62 178.029 175.072 2.957 1 1 753 . 16 1 1 A 62 62 ASP CA C 62 53.819 52.887 0.932 1 1 754 . 16 1 1 A 62 62 ASP CB C 62 40.772 44.331 -3.559 1 1 755 . 16 1 1 A 62 62 ASP N N 62 128.697 119.691 9.006 1 1 756 . 16 1 1 A 63 63 ILE H H 63 9.261 7.939 1.322 1 1 757 . 16 1 1 A 63 63 ILE HA H 63 4.554 4.608 -0.054 1 1 767 . 16 1 1 A 63 63 ILE C C 63 175.617 176.840 -1.223 1 1 768 . 16 1 1 A 63 63 ILE CA C 63 60.736 60.419 0.317 1 1 769 . 16 1 1 A 63 63 ILE CB C 63 38.364 38.010 0.354 1 1 773 . 16 1 1 A 63 63 ILE N N 63 120.253 121.216 -0.963 1 1 774 . 16 1 1 A 64 64 VAL H H 64 8.010 7.722 0.288 1 1 775 . 16 1 1 A 64 64 VAL HA H 64 3.781 3.843 -0.062 1 1 783 . 16 1 1 A 64 64 VAL C C 64 174.878 176.961 -2.083 1 1 784 . 16 1 1 A 64 64 VAL CA C 64 65.572 64.904 0.668 1 1 785 . 16 1 1 A 64 64 VAL CB C 64 30.532 31.686 -1.154 1 1 788 . 16 1 1 A 64 64 VAL N N 64 122.413 122.765 -0.352 1 1 789 . 16 1 1 A 65 65 ASP H H 65 8.391 7.659 0.732 1 1 790 . 16 1 1 A 65 65 ASP HA H 65 4.841 4.791 0.050 1 1 793 . 16 1 1 A 65 65 ASP C C 65 174.854 175.856 -1.002 1 1 794 . 16 1 1 A 65 65 ASP CA C 65 53.483 53.615 -0.132 1 1 795 . 16 1 1 A 65 65 ASP CB C 65 40.114 41.148 -1.034 1 1 796 . 16 1 1 A 65 65 ASP N N 65 119.308 119.469 -0.161 1 1 797 . 16 1 1 A 66 66 LEU H H 66 7.517 7.167 0.350 1 1 798 . 16 1 1 A 66 66 LEU HA H 66 3.962 4.257 -0.295 1 1 808 . 16 1 1 A 66 66 LEU C C 66 176.708 177.476 -0.768 1 1 809 . 16 1 1 A 66 66 LEU CA C 66 57.471 56.333 1.138 1 1 810 . 16 1 1 A 66 66 LEU CB C 66 43.322 42.994 0.328 1 1 814 . 16 1 1 A 66 66 LEU N N 66 120.009 123.632 -3.623 1 1 815 . 16 1 1 A 67 67 THR H H 67 9.329 10.213 -0.884 1 1 816 . 16 1 1 A 67 67 THR HA H 67 4.363 4.291 0.072 1 1 821 . 16 1 1 A 67 67 THR C C 67 175.145 174.202 0.943 1 1 822 . 16 1 1 A 67 67 THR CA C 67 64.019 63.667 0.352 1 1 823 . 16 1 1 A 67 67 THR CB C 67 69.107 69.136 -0.029 1 1 825 . 16 1 1 A 67 67 THR N N 67 123.534 121.026 2.508 1 1 826 . 16 1 1 A 68 68 CYS H H 68 7.584 7.021 0.563 1 1 827 . 16 1 1 A 68 68 CYS HA H 68 4.604 4.732 -0.128 1 1 830 . 16 1 1 A 68 68 CYS C C 68 170.528 172.319 -1.791 1 1 831 . 16 1 1 A 68 68 CYS CA C 68 57.402 58.661 -1.259 1 1 832 . 16 1 1 A 68 68 CYS CB C 68 29.175 31.162 -1.987 1 1 833 . 16 1 1 A 68 68 CYS N N 68 115.015 116.070 -1.055 1 1 834 . 16 1 1 A 69 69 LEU H H 69 8.730 8.643 0.087 1 1 835 . 16 1 1 A 69 69 LEU HA H 69 5.411 5.101 0.310 1 1 845 . 16 1 1 A 69 69 LEU C C 69 176.356 174.430 1.926 1 1 846 . 16 1 1 A 69 69 LEU CA C 69 54.242 54.420 -0.178 1 1 847 . 16 1 1 A 69 69 LEU CB C 69 44.885 45.413 -0.528 1 1 851 . 16 1 1 A 69 69 LEU N N 69 125.633 122.484 3.149 1 1 852 . 16 1 1 A 70 70 THR H H 70 9.197 8.748 0.449 1 1 853 . 16 1 1 A 70 70 THR HA H 70 4.702 4.852 -0.150 1 1 858 . 16 1 1 A 70 70 THR C C 70 173.582 172.763 0.819 1 1 859 . 16 1 1 A 70 70 THR CA C 70 60.384 59.250 1.134 1 1 860 . 16 1 1 A 70 70 THR CB C 70 70.870 71.030 -0.160 1 1 862 . 16 1 1 A 70 70 THR N N 70 120.391 119.045 1.346 1 1 863 . 16 1 1 A 71 71 GLU H H 71 8.965 8.832 0.133 1 1 864 . 16 1 1 A 71 71 GLU HA H 71 4.685 5.392 -0.707 1 1 869 . 16 1 1 A 71 71 GLU C C 71 175.957 175.361 0.596 1 1 870 . 16 1 1 A 71 71 GLU CA C 71 56.254 54.844 1.410 1 1 871 . 16 1 1 A 71 71 GLU CB C 71 31.396 31.831 -0.435 1 1 873 . 16 1 1 A 71 71 GLU N N 71 124.718 121.542 3.176 1 1 874 . 16 1 1 A 72 72 GLN H H 72 8.318 8.928 -0.610 1 1 875 . 16 1 1 A 72 72 GLN HA H 72 4.629 4.832 -0.203 1 1 882 . 16 1 1 A 72 72 GLN C C 72 175.254 175.265 -0.011 1 1 883 . 16 1 1 A 72 72 GLN CA C 72 55.336 54.122 1.214 1 1 884 . 16 1 1 A 72 72 GLN CB C 72 30.533 31.614 -1.081 1 1 886 . 16 1 1 A 72 72 GLN N N 72 123.543 123.402 0.141 1 1 888 . 16 1 1 A 73 73 ASN H H 73 8.670 8.678 -0.008 1 1 889 . 16 1 1 A 73 73 ASN HA H 73 4.688 4.971 -0.283 1 1 894 . 16 1 1 A 73 73 ASN C C 73 175.229 174.983 0.246 1 1 895 . 16 1 1 A 73 73 ASN CA C 73 53.607 53.156 0.451 1 1 896 . 16 1 1 A 73 73 ASN CB C 73 39.169 39.578 -0.409 1 1 897 . 16 1 1 A 73 73 ASN N N 73 120.534 124.345 -3.811 1 1 899 . 16 1 1 A 74 74 SER H H 74 8.641 8.743 -0.102 1 1 900 . 16 1 1 A 74 74 SER HA H 74 4.652 4.778 -0.126 1 1 903 . 16 1 1 A 74 74 SER C C 74 175.121 173.339 1.782 1 1 904 . 16 1 1 A 74 74 SER CA C 74 58.409 59.376 -0.967 1 1 905 . 16 1 1 A 74 74 SER CB C 74 64.401 65.585 -1.184 1 1 906 . 16 1 1 A 74 74 SER N N 74 117.448 114.078 3.370 1 1 907 . 16 1 1 A 75 75 THR HA H 75 4.282 4.387 -0.105 1 1 912 . 16 1 1 A 75 75 THR C C 75 174.878 174.804 0.074 1 1 913 . 16 1 1 A 75 75 THR CA C 75 62.819 62.204 0.615 1 1 914 . 16 1 1 A 75 75 THR CB C 75 69.061 69.594 -0.533 1 1 916 . 16 1 1 A 76 76 GLU H H 76 8.156 8.845 -0.689 1 1 917 . 16 1 1 A 76 76 GLU HA H 76 4.350 4.217 0.133 1 1 922 . 16 1 1 A 76 76 GLU C C 76 176.138 176.302 -0.164 1 1 923 . 16 1 1 A 76 76 GLU CA C 76 56.202 56.445 -0.243 1 1 924 . 16 1 1 A 76 76 GLU CB C 76 30.532 30.760 -0.228 1 1 926 . 16 1 1 A 76 76 GLU N N 76 122.220 124.671 -2.451 1 1 927 . 16 1 1 A 77 77 LYS H H 77 8.443 8.799 -0.356 1 1 928 . 16 1 1 A 77 77 LYS HA H 77 4.221 4.249 -0.028 1 1 937 . 16 1 1 A 77 77 LYS C C 77 176.465 175.333 1.132 1 1 938 . 16 1 1 A 77 77 LYS CA C 77 56.730 57.110 -0.380 1 1 939 . 16 1 1 A 77 77 LYS CB C 77 32.301 31.546 0.755 1 1 943 . 16 1 1 A 77 77 LYS N N 77 122.162 121.676 0.486 1 1 944 . 16 1 1 A 78 78 ASN H H 78 8.621 8.389 0.232 1 1 945 . 16 1 1 A 78 78 ASN HA H 78 4.641 4.758 -0.117 1 1 950 . 16 1 1 A 78 78 ASN C C 78 173.485 175.168 -1.683 1 1 951 . 16 1 1 A 78 78 ASN CA C 78 53.748 53.384 0.364 1 1 952 . 16 1 1 A 78 78 ASN CB C 78 38.058 38.440 -0.382 1 1 953 . 16 1 1 A 78 78 ASN N N 78 116.583 122.709 -6.126 1 1 955 . 16 1 1 A 79 79 CYS H H 79 7.551 8.607 -1.056 1 1 956 . 16 1 1 A 79 79 CYS HA H 79 4.371 4.999 -0.628 1 1 959 . 16 1 1 A 79 79 CYS C C 79 172.515 172.884 -0.369 1 1 960 . 16 1 1 A 79 79 CYS CA C 79 57.295 57.351 -0.056 1 1 961 . 16 1 1 A 79 79 CYS CB C 79 29.628 33.142 -3.514 1 1 962 . 16 1 1 A 79 79 CYS N N 79 112.640 121.577 -8.937 1 1 963 . 16 1 1 A 80 80 ALA H H 80 7.642 8.301 -0.659 1 1 964 . 16 1 1 A 80 80 ALA HA H 80 4.727 4.579 0.148 1 1 968 . 16 1 1 A 80 80 ALA C C 80 175.314 176.609 -1.295 1 1 969 . 16 1 1 A 80 80 ALA CA C 80 51.330 52.102 -0.772 1 1 970 . 16 1 1 A 80 80 ALA CB C 80 21.896 19.256 2.640 1 1 971 . 16 1 1 A 80 80 ALA N N 80 124.099 124.732 -0.633 1 1 972 . 16 1 1 A 81 81 LYS H H 81 8.459 8.549 -0.090 1 1 973 . 16 1 1 A 81 81 LYS HA H 81 5.112 4.764 0.348 1 1 982 . 16 1 1 A 81 81 LYS C C 81 174.781 175.024 -0.243 1 1 983 . 16 1 1 A 81 81 LYS CA C 81 55.283 54.554 0.729 1 1 984 . 16 1 1 A 81 81 LYS CB C 81 36.133 34.758 1.375 1 1 988 . 16 1 1 A 81 81 LYS N N 81 119.796 123.647 -3.851 1 1 989 . 16 1 1 A 82 82 PHE H H 82 8.748 7.714 1.034 1 1 990 . 16 1 1 A 82 82 PHE HA H 82 5.513 5.437 0.076 1 1 998 . 16 1 1 A 82 82 PHE C C 82 174.357 172.671 1.686 1 1 999 . 16 1 1 A 82 82 PHE CA C 82 55.643 56.206 -0.563 1 1 1000 . 16 1 1 A 82 82 PHE CB C 82 42.089 42.476 -0.387 1 1 1006 . 16 1 1 A 82 82 PHE N N 82 119.073 119.898 -0.825 1 1 1007 . 16 1 1 A 83 83 THR H H 83 9.290 8.830 0.460 1 1 1008 . 16 1 1 A 83 83 THR HA H 83 5.032 5.079 -0.047 1 1 1013 . 16 1 1 A 83 83 THR C C 83 173.472 173.916 -0.444 1 1 1014 . 16 1 1 A 83 83 THR CA C 83 62.113 61.340 0.773 1 1 1015 . 16 1 1 A 83 83 THR CB C 83 71.076 71.300 -0.224 1 1 1017 . 16 1 1 A 83 83 THR N N 83 116.845 115.513 1.332 1 1 1018 . 16 1 1 A 84 84 LEU H H 84 9.502 9.571 -0.069 1 1 1019 . 16 1 1 A 84 84 LEU HA H 84 4.691 4.874 -0.183 1 1 1029 . 16 1 1 A 84 84 LEU C C 84 174.308 175.944 -1.636 1 1 1030 . 16 1 1 A 84 84 LEU CA C 84 54.224 53.505 0.719 1 1 1031 . 16 1 1 A 84 84 LEU CB C 84 41.636 41.501 0.135 1 1 1035 . 16 1 1 A 84 84 LEU N N 84 125.923 127.772 -1.849 1 1 1036 . 16 1 1 A 85 85 VAL H H 85 8.620 8.589 0.031 1 1 1037 . 16 1 1 A 85 85 VAL HA H 85 4.151 4.413 -0.262 1 1 1045 . 16 1 1 A 85 85 VAL C C 85 174.188 175.411 -1.223 1 1 1046 . 16 1 1 A 85 85 VAL CA C 85 63.649 62.238 1.411 1 1 1047 . 16 1 1 A 85 85 VAL CB C 85 30.861 31.730 -0.869 1 1 1050 . 16 1 1 A 85 85 VAL N N 85 126.007 125.350 0.657 1 1 1051 . 16 1 1 A 86 86 LEU H H 86 8.534 8.708 -0.174 1 1 1052 . 16 1 1 A 86 86 LEU HA H 86 4.853 4.827 0.026 1 1 1062 . 16 1 1 A 86 86 LEU C C 86 174.878 176.681 -1.803 1 1 1063 . 16 1 1 A 86 86 LEU CA C 86 53.183 51.771 1.412 1 1 1064 . 16 1 1 A 86 86 LEU CB C 86 40.485 44.658 -4.173 1 1 1068 . 16 1 1 A 86 86 LEU N N 86 129.551 128.337 1.214 1 1 1069 . 16 1 1 A 87 87 PRO HA H 87 4.221 4.545 -0.324 1 1 1076 . 16 1 1 A 87 87 PRO C C 87 178.223 177.082 1.141 1 1 1077 . 16 1 1 A 87 87 PRO CA C 87 66.455 64.173 2.282 1 1 1078 . 16 1 1 A 87 87 PRO CB C 87 32.260 31.697 0.563 1 1 1081 . 16 1 1 A 88 88 LYS H H 88 8.414 8.223 0.191 1 1 1082 . 16 1 1 A 88 88 LYS HA H 88 4.548 4.377 0.171 1 1 1091 . 16 1 1 A 88 88 LYS C C 88 176.187 176.609 -0.422 1 1 1092 . 16 1 1 A 88 88 LYS CA C 88 55.071 57.014 -1.943 1 1 1093 . 16 1 1 A 88 88 LYS CB C 88 33.534 34.123 -0.589 1 1 1097 . 16 1 1 A 88 88 LYS N N 88 110.404 116.791 -6.387 1 1 1098 . 16 1 1 A 89 89 GLU H H 89 7.208 7.760 -0.552 1 1 1099 . 16 1 1 A 89 89 GLU HA H 89 4.561 4.729 -0.168 1 1 1104 . 16 1 1 A 89 89 GLU C C 89 172.527 174.327 -1.800 1 1 1105 . 16 1 1 A 89 89 GLU CA C 89 56.007 55.723 0.284 1 1 1106 . 16 1 1 A 89 89 GLU CB C 89 33.082 33.536 -0.454 1 1 1108 . 16 1 1 A 89 89 GLU N N 89 116.828 115.339 1.489 1 1 1109 . 16 1 1 A 90 90 GLU H H 90 8.321 8.718 -0.397 1 1 1110 . 16 1 1 A 90 90 GLU HA H 90 5.249 5.129 0.120 1 1 1115 . 16 1 1 A 90 90 GLU C C 90 176.296 175.974 0.322 1 1 1116 . 16 1 1 A 90 90 GLU CA C 90 54.860 56.007 -1.147 1 1 1117 . 16 1 1 A 90 90 GLU CB C 90 31.972 30.720 1.252 1 1 1119 . 16 1 1 A 90 90 GLU N N 90 119.609 124.671 -5.062 1 1 1120 . 16 1 1 A 91 91 VAL H H 91 8.972 8.926 0.046 1 1 1121 . 16 1 1 A 91 91 VAL HA H 91 4.352 4.901 -0.549 1 1 1129 . 16 1 1 A 91 91 VAL C C 91 174.284 174.740 -0.456 1 1 1130 . 16 1 1 A 91 91 VAL CA C 91 61.284 60.959 0.325 1 1 1131 . 16 1 1 A 91 91 VAL CB C 91 34.891 35.155 -0.264 1 1 1134 . 16 1 1 A 91 91 VAL N N 91 123.947 124.523 -0.576 1 1 1135 . 16 1 1 A 92 92 GLN H H 92 8.241 8.657 -0.416 1 1 1136 . 16 1 1 A 92 92 GLN HA H 92 4.930 5.094 -0.164 1 1 1143 . 16 1 1 A 92 92 GLN C C 92 174.115 175.033 -0.918 1 1 1144 . 16 1 1 A 92 92 GLN CA C 92 55.583 54.620 0.963 1 1 1145 . 16 1 1 A 92 92 GLN CB C 92 30.121 31.399 -1.278 1 1 1147 . 16 1 1 A 92 92 GLN N N 92 125.869 125.788 0.081 1 1 1149 . 16 1 1 A 93 93 LEU H H 93 9.145 8.692 0.453 1 1 1150 . 16 1 1 A 93 93 LEU HA H 93 5.456 5.109 0.347 1 1 1160 . 16 1 1 A 93 93 LEU C C 93 176.256 175.130 1.126 1 1 1161 . 16 1 1 A 93 93 LEU CA C 93 53.801 53.304 0.497 1 1 1162 . 16 1 1 A 93 93 LEU CB C 93 45.913 46.001 -0.088 1 1 1166 . 16 1 1 A 93 93 LEU N N 93 123.952 124.319 -0.367 1 1 1167 . 16 1 1 A 94 94 LYS H H 94 9.255 8.199 1.056 1 1 1168 . 16 1 1 A 94 94 LYS HA H 94 5.452 4.602 0.850 1 1 1177 . 16 1 1 A 94 94 LYS C C 94 174.563 174.488 0.075 1 1 1178 . 16 1 1 A 94 94 LYS CA C 94 54.718 55.034 -0.316 1 1 1179 . 16 1 1 A 94 94 LYS CB C 94 36.571 35.871 0.700 1 1 1183 . 16 1 1 A 94 94 LYS N N 94 124.618 121.985 2.633 1 1 1184 . 16 1 1 A 95 95 THR H H 95 8.582 8.533 0.049 1 1 1185 . 16 1 1 A 95 95 THR HA H 95 4.946 4.997 -0.051 1 1 1190 . 16 1 1 A 95 95 THR C C 95 175.278 173.954 1.324 1 1 1191 . 16 1 1 A 95 95 THR CA C 95 59.908 59.411 0.497 1 1 1192 . 16 1 1 A 95 95 THR CB C 95 70.917 71.821 -0.904 1 1 1194 . 16 1 1 A 95 95 THR N N 95 112.788 114.751 -1.963 1 1 1195 . 16 1 1 A 96 96 GLU H H 96 9.033 8.822 0.211 1 1 1196 . 16 1 1 A 96 96 GLU HA H 96 4.321 4.524 -0.203 1 1 1201 . 16 1 1 A 96 96 GLU C C 96 175.435 174.653 0.782 1 1 1202 . 16 1 1 A 96 96 GLU CA C 96 57.595 56.272 1.323 1 1 1203 . 16 1 1 A 96 96 GLU CB C 96 30.656 29.765 0.891 1 1 1205 . 16 1 1 A 96 96 GLU N N 96 117.745 119.974 -2.229 1 1 1206 . 16 1 1 A 97 97 ASN H H 97 7.562 7.799 -0.237 1 1 1207 . 16 1 1 A 97 97 ASN HA H 97 5.074 4.987 0.087 1 1 1212 . 16 1 1 A 97 97 ASN C C 97 176.575 174.093 2.482 1 1 1213 . 16 1 1 A 97 97 ASN CA C 97 52.195 52.882 -0.687 1 1 1214 . 16 1 1 A 97 97 ASN CB C 97 40.485 42.144 -1.659 1 1 1215 . 16 1 1 A 97 97 ASN N N 97 110.462 118.991 -8.529 1 1 1217 . 16 1 1 A 98 98 THR HA H 98 3.916 4.159 -0.243 1 1 1222 . 16 1 1 A 98 98 THR C C 98 176.938 176.357 0.581 1 1 1223 . 16 1 1 A 98 98 THR CA C 98 66.349 65.258 1.091 1 1 1224 . 16 1 1 A 98 98 THR CB C 98 68.638 68.961 -0.323 1 1 1226 . 16 1 1 A 99 99 GLU H H 99 9.316 8.248 1.068 1 1 1227 . 16 1 1 A 99 99 GLU HA H 99 4.221 4.118 0.103 1 1 1232 . 16 1 1 A 99 99 GLU C C 99 179.241 178.975 0.266 1 1 1233 . 16 1 1 A 99 99 GLU CA C 99 60.754 59.083 1.671 1 1 1234 . 16 1 1 A 99 99 GLU CB C 99 28.764 29.495 -0.731 1 1 1236 . 16 1 1 A 99 99 GLU N N 99 125.868 121.893 3.975 1 1 1237 . 16 1 1 A 100 100 SER H H 100 8.739 8.479 0.260 1 1 1238 . 16 1 1 A 100 100 SER HA H 100 4.863 4.488 0.375 1 1 1241 . 16 1 1 A 100 100 SER C C 100 177.411 177.212 0.199 1 1 1242 . 16 1 1 A 100 100 SER CA C 100 61.037 62.773 -1.736 1 1 1243 . 16 1 1 A 100 100 SER CB C 100 63.879 62.931 0.948 1 1 1244 . 16 1 1 A 100 100 SER N N 100 114.755 116.560 -1.805 1 1 1245 . 16 1 1 A 101 101 GLY H H 101 7.879 8.064 -0.185 1 1 1246 . 16 1 1 A 101 101 GLY HA2 H 101 4.139 3.904 0.235 1 1 1247 . 16 1 1 A 101 101 GLY HA3 H 101 4.012 4.011 0.001 1 1 1248 . 16 1 1 A 101 101 GLY C C 101 174.611 176.186 -1.575 1 1 1249 . 16 1 1 A 101 101 GLY CA C 101 48.948 47.494 1.454 1 1 1250 . 16 1 1 A 101 101 GLY N N 101 108.940 109.295 -0.355 1 1 1251 . 16 1 1 A 102 102 GLU H H 102 7.801 8.051 -0.250 1 1 1252 . 16 1 1 A 102 102 GLU HA H 102 4.171 4.056 0.115 1 1 1257 . 16 1 1 A 102 102 GLU C C 102 179.084 179.114 -0.030 1 1 1258 . 16 1 1 A 102 102 GLU CA C 102 58.601 59.576 -0.975 1 1 1259 . 16 1 1 A 102 102 GLU CB C 102 29.627 29.523 0.104 1 1 1261 . 16 1 1 A 102 102 GLU N N 102 120.720 121.328 -0.608 1 1 1262 . 16 1 1 A 103 103 GLU H H 103 7.781 8.112 -0.331 1 1 1263 . 16 1 1 A 103 103 GLU HA H 103 3.739 3.812 -0.073 1 1 1268 . 16 1 1 A 103 103 GLU C C 103 178.235 178.885 -0.650 1 1 1269 . 16 1 1 A 103 103 GLU CA C 103 60.366 59.264 1.102 1 1 1270 . 16 1 1 A 103 103 GLU CB C 103 30.491 29.228 1.263 1 1 1272 . 16 1 1 A 103 103 GLU N N 103 119.068 119.895 -0.827 1 1 1273 . 16 1 1 A 104 104 TRP H H 104 8.761 8.702 0.059 1 1 1274 . 16 1 1 A 104 104 TRP HA H 104 4.171 4.707 -0.536 1 1 1283 . 16 1 1 A 104 104 TRP C C 104 178.817 178.825 -0.008 1 1 1284 . 16 1 1 A 104 104 TRP CA C 104 62.290 60.422 1.868 1 1 1285 . 16 1 1 A 104 104 TRP CB C 104 29.340 29.602 -0.262 1 1 1291 . 16 1 1 A 104 104 TRP N N 104 118.358 121.165 -2.807 1 1 1293 . 16 1 1 A 105 105 ARG H H 105 8.400 8.299 0.101 1 1 1294 . 16 1 1 A 105 105 ARG HA H 105 3.481 3.741 -0.260 1 1 1302 . 16 1 1 A 105 105 ARG C C 105 177.666 178.894 -1.228 1 1 1303 . 16 1 1 A 105 105 ARG CA C 105 60.666 59.679 0.987 1 1 1304 . 16 1 1 A 105 105 ARG CB C 105 30.162 29.877 0.285 1 1 1307 . 16 1 1 A 105 105 ARG N N 105 117.098 119.872 -2.774 1 1 1309 . 16 1 1 A 106 106 GLY H H 106 8.202 8.612 -0.410 1 1 1310 . 16 1 1 A 106 106 GLY HA2 H 106 3.470 3.482 -0.012 1 1 1311 . 16 1 1 A 106 106 GLY HA3 H 106 3.382 3.546 -0.164 1 1 1312 . 16 1 1 A 106 106 GLY C C 106 176.162 176.023 0.139 1 1 1313 . 16 1 1 A 106 106 GLY CA C 106 47.554 47.214 0.340 1 1 1314 . 16 1 1 A 106 106 GLY N N 106 104.212 106.727 -2.515 1 1 1315 . 16 1 1 A 107 107 PHE H H 107 8.491 8.481 0.010 1 1 1316 . 16 1 1 A 107 107 PHE HA H 107 3.722 4.279 -0.557 1 1 1324 . 16 1 1 A 107 107 PHE C C 107 177.265 178.054 -0.789 1 1 1325 . 16 1 1 A 107 107 PHE CA C 107 64.284 59.868 4.416 1 1 1326 . 16 1 1 A 107 107 PHE CB C 107 39.209 38.495 0.714 1 1 1332 . 16 1 1 A 107 107 PHE N N 107 122.710 120.533 2.177 1 1 1333 . 16 1 1 A 108 108 ILE H H 108 8.674 9.236 -0.562 1 1 1334 . 16 1 1 A 108 108 ILE HA H 108 3.523 3.726 -0.203 1 1 1344 . 16 1 1 A 108 108 ILE C C 108 178.623 178.065 0.558 1 1 1345 . 16 1 1 A 108 108 ILE CA C 108 66.384 65.081 1.303 1 1 1346 . 16 1 1 A 108 108 ILE CB C 108 37.852 37.996 -0.144 1 1 1350 . 16 1 1 A 108 108 ILE N N 108 117.395 120.042 -2.647 1 1 1351 . 16 1 1 A 109 109 LEU H H 109 8.378 8.199 0.179 1 1 1352 . 16 1 1 A 109 109 LEU HA H 109 4.032 4.359 -0.327 1 1 1362 . 16 1 1 A 109 109 LEU C C 109 178.635 179.543 -0.908 1 1 1363 . 16 1 1 A 109 109 LEU CA C 109 57.878 57.784 0.094 1 1 1364 . 16 1 1 A 109 109 LEU CB C 109 40.854 41.687 -0.833 1 1 1368 . 16 1 1 A 109 109 LEU N N 109 118.573 119.524 -0.951 1 1 1369 . 16 1 1 A 110 110 THR H H 110 7.600 7.667 -0.067 1 1 1370 . 16 1 1 A 110 110 THR HA H 110 4.110 4.517 -0.407 1 1 1375 . 16 1 1 A 110 110 THR C C 110 177.265 176.064 1.201 1 1 1376 . 16 1 1 A 110 110 THR CA C 110 68.325 66.096 2.229 1 1 1377 . 16 1 1 A 110 110 THR CB C 110 68.230 69.073 -0.843 1 1 1379 . 16 1 1 A 110 110 THR N N 110 115.926 114.830 1.096 1 1 1380 . 16 1 1 A 111 111 VAL H H 111 7.490 7.788 -0.298 1 1 1381 . 16 1 1 A 111 111 VAL HA H 111 3.912 4.477 -0.565 1 1 1389 . 16 1 1 A 111 111 VAL C C 111 174.793 176.719 -1.926 1 1 1390 . 16 1 1 A 111 111 VAL CA C 111 64.601 61.250 3.351 1 1 1391 . 16 1 1 A 111 111 VAL CB C 111 32.007 31.582 0.425 1 1 1394 . 16 1 1 A 111 111 VAL N N 111 109.123 115.229 -6.106 1 1 1395 . 16 1 1 A 112 112 THR H H 112 7.410 7.716 -0.306 1 1 1396 . 16 1 1 A 112 112 THR HA H 112 4.494 4.595 -0.101 1 1 1401 . 16 1 1 A 112 112 THR C C 112 177.265 175.533 1.732 1 1 1402 . 16 1 1 A 112 112 THR CA C 112 62.784 62.137 0.647 1 1 1403 . 16 1 1 A 112 112 THR CB C 112 69.290 70.365 -1.075 1 1 1405 . 16 1 1 A 112 112 THR N N 112 107.046 112.018 -4.972 1 1 1406 . 16 1 1 A 113 113 GLU H H 113 8.541 8.244 0.297 1 1 1407 . 16 1 1 A 113 113 GLU HA H 113 4.280 4.323 -0.043 1 1 1412 . 16 1 1 A 113 113 GLU C C 113 176.745 176.005 0.740 1 1 1413 . 16 1 1 A 113 113 GLU CA C 113 57.048 56.349 0.699 1 1 1414 . 16 1 1 A 113 113 GLU CB C 113 29.422 30.424 -1.002 1 1 1416 . 16 1 1 A 113 113 GLU N N 113 120.888 119.718 1.170 1 1 1417 . 16 1 1 A 114 114 LEU H H 114 7.561 7.694 -0.133 1 1 1418 . 16 1 1 A 114 114 LEU HA H 114 4.042 3.835 0.207 1 1 1428 . 16 1 1 A 114 114 LEU C C 114 175.569 175.306 0.263 1 1 1429 . 16 1 1 A 114 114 LEU CA C 114 55.213 56.413 -1.200 1 1 1430 . 16 1 1 A 114 114 LEU CB C 114 38.182 40.166 -1.984 1 1 1434 . 16 1 1 A 114 114 LEU N N 114 114.453 118.906 -4.453 1 1 1435 . 16 1 1 A 115 115 SER H H 115 7.113 7.712 -0.599 1 1 1436 . 16 1 1 A 115 115 SER HA H 115 4.315 4.695 -0.380 1 1 1439 . 16 1 1 A 115 115 SER C C 115 173.521 172.231 1.290 1 1 1440 . 16 1 1 A 115 115 SER CA C 115 57.454 55.792 1.662 1 1 1441 . 16 1 1 A 115 115 SER CB C 115 64.505 65.114 -0.609 1 1 1442 . 16 1 1 A 115 115 SER N N 115 110.010 112.358 -2.348 1 1 1443 . 16 1 1 A 116 116 VAL H H 116 8.635 8.356 0.279 1 1 1444 . 16 1 1 A 116 116 VAL HA H 116 4.210 4.471 -0.261 1 1 1452 . 16 1 1 A 116 116 VAL C C 116 175.024 173.930 1.094 1 1 1453 . 16 1 1 A 116 116 VAL CA C 116 60.948 58.778 2.170 1 1 1454 . 16 1 1 A 116 116 VAL CB C 116 32.177 35.033 -2.856 1 1 1457 . 16 1 1 A 116 116 VAL N N 116 129.442 121.339 8.103 1 1 1458 . 16 1 1 A 117 117 PRO HA H 117 4.381 4.691 -0.310 1 1 1465 . 16 1 1 A 117 117 PRO C C 117 176.478 177.331 -0.853 1 1 1466 . 16 1 1 A 117 117 PRO CA C 117 62.678 62.455 0.223 1 1 1467 . 16 1 1 A 117 117 PRO CB C 117 31.931 31.706 0.225 1 1 1470 . 16 1 1 A 118 118 GLN H H 118 8.576 8.721 -0.145 1 1 1471 . 16 1 1 A 118 118 GLN HA H 118 4.282 4.183 0.099 1 1 1478 . 16 1 1 A 118 118 GLN C C 118 176.575 177.028 -0.453 1 1 1479 . 16 1 1 A 118 118 GLN CA C 118 55.866 57.159 -1.293 1 1 1480 . 16 1 1 A 118 118 GLN CB C 118 29.704 29.035 0.669 1 1 1482 . 16 1 1 A 118 118 GLN N N 118 118.498 121.578 -3.080 1 1 1484 . 16 1 1 A 119 119 ASN H H 119 8.444 7.879 0.565 1 1 1485 . 16 1 1 A 119 119 ASN HA H 119 4.727 4.913 -0.186 1 1 1490 . 16 1 1 A 119 119 ASN C C 119 174.842 174.719 0.123 1 1 1491 . 16 1 1 A 119 119 ASN CA C 119 52.812 52.881 -0.069 1 1 1492 . 16 1 1 A 119 119 ASN CB C 119 37.071 38.794 -1.723 1 1 1493 . 16 1 1 A 119 119 ASN N N 119 117.223 116.041 1.182 1 1 1495 . 16 1 1 A 120 120 VAL H H 120 7.182 7.436 -0.254 1 1 1496 . 16 1 1 A 120 120 VAL HA H 120 4.381 4.134 0.247 1 1 1504 . 16 1 1 A 120 120 VAL C C 120 175.484 175.384 0.100 1 1 1505 . 16 1 1 A 120 120 VAL CA C 120 60.048 60.963 -0.915 1 1 1506 . 16 1 1 A 120 120 VAL CB C 120 34.028 33.522 0.506 1 1 1509 . 16 1 1 A 120 120 VAL N N 120 114.038 121.862 -7.824 1 1 1510 . 16 1 1 A 121 121 SER H H 121 9.313 8.282 1.031 1 1 1511 . 16 1 1 A 121 121 SER HA H 121 4.552 4.554 -0.002 1 1 1514 . 16 1 1 A 121 121 SER C C 121 173.096 174.917 -1.821 1 1 1515 . 16 1 1 A 121 121 SER CA C 121 57.119 58.861 -1.742 1 1 1516 . 16 1 1 A 121 121 SER CB C 121 62.528 65.255 -2.727 1 1 1517 . 16 1 1 A 121 121 SER N N 121 122.117 118.795 3.322 1 1 1518 . 16 1 1 A 122 122 LEU H H 122 7.470 7.598 -0.128 1 1 1519 . 16 1 1 A 122 122 LEU HA H 122 4.618 4.077 0.541 1 1 1529 . 16 1 1 A 122 122 LEU C C 122 176.526 177.203 -0.677 1 1 1530 . 16 1 1 A 122 122 LEU CA C 122 52.795 55.418 -2.623 1 1 1531 . 16 1 1 A 122 122 LEU CB C 122 45.790 42.965 2.825 1 1 1535 . 16 1 1 A 122 122 LEU N N 122 122.878 123.834 -0.956 1 1 1536 . 16 1 1 A 123 123 LEU H H 123 8.765 8.388 0.377 1 1 1537 . 16 1 1 A 123 123 LEU HA H 123 4.574 4.351 0.223 1 1 1547 . 16 1 1 A 123 123 LEU C C 123 176.769 176.788 -0.019 1 1 1548 . 16 1 1 A 123 123 LEU CA C 123 53.748 53.314 0.434 1 1 1549 . 16 1 1 A 123 123 LEU CB C 123 40.649 41.456 -0.807 1 1 1553 . 16 1 1 A 123 123 LEU N N 123 122.054 123.632 -1.578 1 1 1554 . 16 1 1 A 124 124 PRO HA H 124 4.232 4.485 -0.253 1 1 1561 . 16 1 1 A 124 124 PRO CA C 124 66.281 64.035 2.246 1 1 1562 . 16 1 1 A 124 124 PRO CB C 124 31.945 31.732 0.213 1 1 1565 . 16 1 1 A 125 125 GLY HA2 H 125 3.901 3.886 0.015 1 1 1566 . 16 1 1 A 125 125 GLY HA3 H 125 3.901 3.889 0.012 1 1 1567 . 16 1 1 A 125 125 GLY C C 125 176.696 176.039 0.657 1 1 1568 . 16 1 1 A 125 125 GLY CA C 125 46.724 46.304 0.420 1 1 1569 . 16 1 1 A 126 126 GLN H H 126 7.495 7.841 -0.346 1 1 1570 . 16 1 1 A 126 126 GLN HA H 126 4.261 3.959 0.302 1 1 1577 . 16 1 1 A 126 126 GLN C C 126 178.235 178.059 0.176 1 1 1578 . 16 1 1 A 126 126 GLN CA C 126 57.807 58.629 -0.822 1 1 1579 . 16 1 1 A 126 126 GLN CB C 126 30.039 28.469 1.570 1 1 1581 . 16 1 1 A 126 126 GLN N N 126 120.404 122.158 -1.754 1 1 1583 . 16 1 1 A 127 127 VAL H H 127 7.839 7.730 0.109 1 1 1584 . 16 1 1 A 127 127 VAL HA H 127 3.360 3.493 -0.133 1 1 1592 . 16 1 1 A 127 127 VAL C C 127 178.441 178.296 0.145 1 1 1593 . 16 1 1 A 127 127 VAL CA C 127 67.231 65.998 1.233 1 1 1594 . 16 1 1 A 127 127 VAL CB C 127 31.948 31.640 0.308 1 1 1597 . 16 1 1 A 127 127 VAL N N 127 121.180 119.763 1.417 1 1 1598 . 16 1 1 A 128 128 ILE H H 128 7.725 8.411 -0.686 1 1 1599 . 16 1 1 A 128 128 ILE HA H 128 3.820 3.604 0.216 1 1 1609 . 16 1 1 A 128 128 ILE C C 128 178.599 178.111 0.488 1 1 1610 . 16 1 1 A 128 128 ILE CA C 128 64.978 65.806 -0.828 1 1 1611 . 16 1 1 A 128 128 ILE CB C 128 37.976 37.799 0.177 1 1 1615 . 16 1 1 A 128 128 ILE N N 128 119.369 120.941 -1.572 1 1 1616 . 16 1 1 A 129 129 LYS H H 129 7.204 8.344 -1.140 1 1 1617 . 16 1 1 A 129 129 LYS HA H 129 4.241 3.997 0.244 1 1 1626 . 16 1 1 A 129 129 LYS C C 129 178.902 179.373 -0.471 1 1 1627 . 16 1 1 A 129 129 LYS CA C 129 58.690 59.409 -0.719 1 1 1628 . 16 1 1 A 129 129 LYS CB C 129 31.725 32.289 -0.564 1 1 1632 . 16 1 1 A 129 129 LYS N N 129 119.356 119.007 0.349 1 1 1633 . 16 1 1 A 130 130 LEU H H 130 7.750 7.926 -0.176 1 1 1634 . 16 1 1 A 130 130 LEU HA H 130 3.649 3.898 -0.249 1 1 1644 . 16 1 1 A 130 130 LEU C C 130 178.756 178.860 -0.104 1 1 1645 . 16 1 1 A 130 130 LEU CA C 130 57.913 57.866 0.047 1 1 1646 . 16 1 1 A 130 130 LEU CB C 130 40.197 41.237 -1.040 1 1 1650 . 16 1 1 A 130 130 LEU N N 130 118.271 119.579 -1.308 1 1 1651 . 16 1 1 A 131 131 HIS H H 131 7.732 8.003 -0.271 1 1 1652 . 16 1 1 A 131 131 HIS HA H 131 3.918 4.165 -0.247 1 1 1657 . 16 1 1 A 131 131 HIS C C 131 178.392 177.600 0.792 1 1 1658 . 16 1 1 A 131 131 HIS CA C 131 61.019 59.251 1.768 1 1 1659 . 16 1 1 A 131 131 HIS CB C 131 29.951 29.924 0.027 1 1 1662 . 16 1 1 A 131 131 HIS N N 131 117.308 117.203 0.105 1 1 1663 . 16 1 1 A 132 132 GLU H H 132 8.030 8.548 -0.518 1 1 1664 . 16 1 1 A 132 132 GLU HA H 132 4.097 3.983 0.114 1 1 1669 . 16 1 1 A 132 132 GLU C C 132 179.907 179.245 0.662 1 1 1670 . 16 1 1 A 132 132 GLU CA C 132 59.660 59.327 0.333 1 1 1671 . 16 1 1 A 132 132 GLU CB C 132 29.627 29.504 0.123 1 1 1673 . 16 1 1 A 132 132 GLU N N 132 121.443 119.037 2.406 1 1 1674 . 16 1 1 A 133 133 VAL H H 133 8.250 9.167 -0.917 1 1 1675 . 16 1 1 A 133 133 VAL HA H 133 3.352 3.450 -0.098 1 1 1683 . 16 1 1 A 133 133 VAL C C 133 176.575 177.944 -1.369 1 1 1684 . 16 1 1 A 133 133 VAL CA C 133 66.367 65.932 0.435 1 1 1685 . 16 1 1 A 133 133 VAL CB C 133 31.203 31.231 -0.028 1 1 1688 . 16 1 1 A 133 133 VAL N N 133 121.281 120.262 1.019 1 1 1689 . 16 1 1 A 134 134 LEU H H 134 8.259 8.617 -0.358 1 1 1690 . 16 1 1 A 134 134 LEU HA H 134 3.645 3.847 -0.202 1 1 1700 . 16 1 1 A 134 134 LEU C C 134 177.980 178.419 -0.439 1 1 1701 . 16 1 1 A 134 134 LEU CA C 134 58.154 58.582 -0.428 1 1 1702 . 16 1 1 A 134 134 LEU CB C 134 40.320 42.062 -1.742 1 1 1706 . 16 1 1 A 134 134 LEU N N 134 120.134 120.577 -0.443 1 1 1707 . 16 1 1 A 135 135 GLU H H 135 7.611 8.069 -0.458 1 1 1708 . 16 1 1 A 135 135 GLU HA H 135 3.972 4.072 -0.100 1 1 1713 . 16 1 1 A 135 135 GLU C C 135 179.834 178.692 1.142 1 1 1714 . 16 1 1 A 135 135 GLU CA C 135 59.325 59.387 -0.062 1 1 1715 . 16 1 1 A 135 135 GLU CB C 135 29.134 29.170 -0.036 1 1 1717 . 16 1 1 A 135 135 GLU N N 135 116.026 117.852 -1.826 1 1 1718 . 16 1 1 A 136 136 ARG H H 136 7.789 8.280 -0.491 1 1 1719 . 16 1 1 A 136 136 ARG HA H 136 4.140 4.145 -0.005 1 1 1726 . 16 1 1 A 136 136 ARG C C 136 179.083 179.361 -0.278 1 1 1727 . 16 1 1 A 136 136 ARG CA C 136 59.131 59.555 -0.424 1 1 1728 . 16 1 1 A 136 136 ARG CB C 136 30.368 30.096 0.272 1 1 1731 . 16 1 1 A 136 136 ARG N N 136 119.681 119.570 0.111 1 1 1732 . 16 1 1 A 137 137 GLU H H 137 9.238 8.532 0.706 1 1 1733 . 16 1 1 A 137 137 GLU HA H 137 4.637 4.203 0.434 1 1 1738 . 16 1 1 A 137 137 GLU C C 137 178.817 179.100 -0.283 1 1 1739 . 16 1 1 A 137 137 GLU CA C 137 58.036 59.180 -1.144 1 1 1740 . 16 1 1 A 137 137 GLU CB C 137 28.147 28.469 -0.322 1 1 1742 . 16 1 1 A 137 137 GLU N N 137 124.333 118.125 6.208 1 1 1743 . 16 1 1 A 138 138 LYS H H 138 8.788 8.408 0.380 1 1 1744 . 16 1 1 A 138 138 LYS HA H 138 3.899 4.011 -0.112 1 1 1753 . 16 1 1 A 138 138 LYS C C 138 179.944 179.171 0.773 1 1 1754 . 16 1 1 A 138 138 LYS CA C 138 60.754 59.750 1.004 1 1 1755 . 16 1 1 A 138 138 LYS CB C 138 32.789 32.232 0.557 1 1 1759 . 16 1 1 A 138 138 LYS N N 138 119.622 119.737 -0.115 1 1 1760 . 16 1 1 A 139 139 LYS H H 139 7.313 7.927 -0.614 1 1 1761 . 16 1 1 A 139 139 LYS HA H 139 4.070 3.914 0.156 1 1 1770 . 16 1 1 A 139 139 LYS C C 139 178.235 178.856 -0.621 1 1 1771 . 16 1 1 A 139 139 LYS CA C 139 59.166 59.859 -0.693 1 1 1772 . 16 1 1 A 139 139 LYS CB C 139 32.424 32.344 0.080 1 1 1776 . 16 1 1 A 139 139 LYS N N 139 117.326 119.432 -2.106 1 1 1777 . 16 1 1 A 140 140 ARG H H 140 8.344 8.005 0.339 1 1 1778 . 16 1 1 A 140 140 ARG HA H 140 4.080 4.092 -0.012 1 1 1786 . 16 1 1 A 140 140 ARG C C 140 179.531 179.153 0.378 1 1 1787 . 16 1 1 A 140 140 ARG CA C 140 59.184 59.155 0.029 1 1 1788 . 16 1 1 A 140 140 ARG CB C 140 31.190 29.783 1.407 1 1 1791 . 16 1 1 A 140 140 ARG N N 140 121.404 119.485 1.919 1 1 1793 . 16 1 1 A 141 141 ARG H H 141 8.171 9.051 -0.880 1 1 1794 . 16 1 1 A 141 141 ARG HA H 141 4.034 4.316 -0.282 1 1 1802 . 16 1 1 A 141 141 ARG C C 141 178.671 178.764 -0.093 1 1 1803 . 16 1 1 A 141 141 ARG CA C 141 58.337 58.767 -0.430 1 1 1804 . 16 1 1 A 141 141 ARG CB C 141 30.327 29.400 0.927 1 1 1807 . 16 1 1 A 141 141 ARG N N 141 115.667 118.046 -2.379 1 1 1809 . 16 1 1 A 142 142 ILE H H 142 7.521 8.149 -0.628 1 1 1810 . 16 1 1 A 142 142 ILE HA H 142 4.074 3.665 0.409 1 1 1820 . 16 1 1 A 142 142 ILE C C 142 177.787 177.884 -0.097 1 1 1821 . 16 1 1 A 142 142 ILE CA C 142 63.178 64.986 -1.808 1 1 1822 . 16 1 1 A 142 142 ILE CB C 142 38.346 37.673 0.673 1 1 1826 . 16 1 1 A 142 142 ILE N N 142 118.031 121.494 -3.463 1 1 1827 . 16 1 1 A 143 143 GLU H H 143 8.041 8.190 -0.149 1 1 1828 . 16 1 1 A 143 143 GLU HA H 143 4.251 4.035 0.216 1 1 1833 . 16 1 1 A 143 143 GLU C C 143 177.217 176.490 0.727 1 1 1834 . 16 1 1 A 143 143 GLU CA C 143 57.595 59.683 -2.088 1 1 1835 . 16 1 1 A 143 143 GLU CB C 143 29.998 29.555 0.443 1 1 1837 . 16 1 1 A 143 143 GLU N N 143 120.963 120.344 0.619 1 1 1838 . 16 1 1 A 144 144 SER H H 144 8.041 7.511 0.530 1 1 1839 . 16 1 1 A 144 144 SER HA H 144 4.538 4.954 -0.416 1 1 1842 . 16 1 1 A 144 144 SER C C 144 174.721 173.507 1.214 1 1 1843 . 16 1 1 A 144 144 SER CA C 144 58.801 56.646 2.155 1 1 1844 . 16 1 1 A 144 144 SER CB C 144 64.126 64.879 -0.753 1 1 1845 . 16 1 1 A 144 144 SER N N 144 114.646 113.444 1.202 1 1 1846 . 16 1 1 A 145 145 GLY H H 145 7.982 8.625 -0.643 1 1 1847 . 16 1 1 A 145 145 GLY HA2 H 145 4.102 4.197 -0.095 1 1 1848 . 16 1 1 A 145 145 GLY HA3 H 145 4.231 4.199 0.032 1 1 1849 . 16 1 1 A 145 145 GLY C C 145 171.800 171.365 0.435 1 1 1850 . 16 1 1 A 145 145 GLY CA C 145 44.854 45.252 -0.398 1 1 1851 . 16 1 1 A 145 145 GLY N N 145 110.299 113.798 -3.499 1 1 1852 . 16 1 1 A 146 146 PRO HA H 146 4.510 4.580 -0.070 1 1 1859 . 16 1 1 A 146 146 PRO C C 146 177.496 176.405 1.091 1 1 1860 . 16 1 1 A 146 146 PRO CA C 146 63.313 62.567 0.746 1 1 1861 . 16 1 1 A 146 146 PRO CB C 146 32.177 32.550 -0.373 1 1 1864 . 16 1 1 A 147 147 SER H H 147 8.530 8.380 0.150 1 1 1865 . 16 1 1 A 147 147 SER C C 147 174.721 174.200 0.521 1 1 1866 . 16 1 1 A 147 147 SER CA C 147 58.390 56.899 1.491 1 1 1867 . 16 1 1 A 147 147 SER CB C 147 63.803 65.212 -1.409 1 1 1868 . 16 1 1 A 147 147 SER N N 147 116.436 114.533 1.903 1 1 1869 . 16 1 1 A 148 148 SER H H 148 8.348 8.636 -0.288 1 1 1870 . 16 1 1 A 148 148 SER C C 148 173.957 174.763 -0.806 1 1 1871 . 16 1 1 A 148 148 SER CA C 148 58.372 59.557 -1.185 1 1 1872 . 16 1 1 A 148 148 SER CB C 148 64.008 62.990 1.018 1 1 1 . 17 1 1 A 8 8 GLN HA H 8 4.221 4.623 -0.402 1 1 8 . 17 1 1 A 8 8 GLN CA C 8 56.851 56.983 -0.132 1 1 9 . 17 1 1 A 8 8 GLN CB C 8 28.887 31.008 -2.121 1 1 12 . 17 1 1 A 9 9 GLU H H 9 8.480 7.844 0.636 1 1 13 . 17 1 1 A 9 9 GLU HA H 9 4.166 4.322 -0.156 1 1 18 . 17 1 1 A 9 9 GLU CA C 9 58.333 56.603 1.730 1 1 19 . 17 1 1 A 9 9 GLU CB C 9 29.545 30.213 -0.668 1 1 21 . 17 1 1 A 9 9 GLU N N 9 121.149 120.136 1.013 1 1 22 . 17 1 1 A 10 10 ARG H H 10 8.336 8.783 -0.447 1 1 23 . 17 1 1 A 10 10 ARG HA H 10 4.131 3.936 0.195 1 1 30 . 17 1 1 A 10 10 ARG C C 10 177.350 176.708 0.642 1 1 31 . 17 1 1 A 10 10 ARG CA C 10 57.731 59.386 -1.655 1 1 32 . 17 1 1 A 10 10 ARG CB C 10 30.061 30.607 -0.546 1 1 35 . 17 1 1 A 10 10 ARG N N 10 120.177 125.846 -5.669 1 1 36 . 17 1 1 A 11 11 LEU H H 11 7.741 7.817 -0.076 1 1 37 . 17 1 1 A 11 11 LEU HA H 11 4.219 3.931 0.288 1 1 44 . 17 1 1 A 11 11 LEU CA C 11 56.781 57.469 -0.688 1 1 45 . 17 1 1 A 11 11 LEU CB C 11 41.875 40.576 1.299 1 1 49 . 17 1 1 A 11 11 LEU N N 11 120.410 117.427 2.983 1 1 50 . 17 1 1 A 12 12 LYS H H 12 7.816 8.797 -0.981 1 1 51 . 17 1 1 A 12 12 LYS HA H 12 4.091 3.990 0.101 1 1 60 . 17 1 1 A 12 12 LYS CA C 12 58.234 60.027 -1.793 1 1 61 . 17 1 1 A 12 12 LYS CB C 12 32.530 32.399 0.131 1 1 65 . 17 1 1 A 12 12 LYS N N 12 119.365 119.318 0.047 1 1 66 . 17 1 1 A 13 13 ILE H H 13 7.851 7.901 -0.050 1 1 67 . 17 1 1 A 13 13 ILE HA H 13 3.951 3.778 0.173 1 1 77 . 17 1 1 A 13 13 ILE C C 13 176.914 175.559 1.355 1 1 78 . 17 1 1 A 13 13 ILE CA C 13 62.713 63.845 -1.132 1 1 79 . 17 1 1 A 13 13 ILE CB C 13 38.264 36.511 1.753 1 1 83 . 17 1 1 A 14 14 THR H H 14 7.750 8.366 -0.616 1 1 84 . 17 1 1 A 14 14 THR HA H 14 4.021 4.018 0.003 1 1 88 . 17 1 1 A 14 14 THR C C 14 174.818 173.569 1.249 1 1 89 . 17 1 1 A 14 14 THR CA C 14 63.172 62.296 0.876 1 1 90 . 17 1 1 A 14 14 THR CB C 14 68.985 67.441 1.544 1 1 92 . 17 1 1 A 14 14 THR N N 14 110.999 112.893 -1.894 1 1 93 . 17 1 1 A 15 15 ALA H H 15 7.922 8.174 -0.252 1 1 94 . 17 1 1 A 15 15 ALA HA H 15 4.141 4.653 -0.512 1 1 98 . 17 1 1 A 15 15 ALA C C 15 177.593 175.672 1.921 1 1 99 . 17 1 1 A 15 15 ALA CA C 15 53.007 50.575 2.432 1 1 100 . 17 1 1 A 15 15 ALA CB C 15 18.747 19.444 -0.697 1 1 101 . 17 1 1 A 15 15 ALA N N 15 122.429 125.826 -3.397 1 1 102 . 17 1 1 A 16 16 LEU H H 16 7.442 8.194 -0.752 1 1 103 . 17 1 1 A 16 16 LEU HA H 16 4.653 4.750 -0.097 1 1 112 . 17 1 1 A 16 16 LEU C C 16 173.182 175.270 -2.088 1 1 113 . 17 1 1 A 16 16 LEU CA C 16 51.524 50.869 0.655 1 1 114 . 17 1 1 A 16 16 LEU CB C 16 45.831 43.642 2.189 1 1 118 . 17 1 1 A 16 16 LEU N N 16 120.226 123.431 -3.205 1 1 119 . 17 1 1 A 17 17 PRO HA H 17 4.140 4.624 -0.484 1 1 126 . 17 1 1 A 17 17 PRO C C 17 174.296 176.319 -2.023 1 1 127 . 17 1 1 A 17 17 PRO CA C 17 62.007 62.224 -0.217 1 1 128 . 17 1 1 A 17 17 PRO CB C 17 32.013 31.865 0.148 1 1 131 . 17 1 1 A 18 18 LEU H H 18 8.071 8.080 -0.009 1 1 132 . 17 1 1 A 18 18 LEU HA H 18 4.097 4.095 0.002 1 1 142 . 17 1 1 A 18 18 LEU C C 18 176.974 175.578 1.396 1 1 143 . 17 1 1 A 18 18 LEU CA C 18 55.043 55.713 -0.670 1 1 144 . 17 1 1 A 18 18 LEU CB C 18 42.376 42.854 -0.478 1 1 148 . 17 1 1 A 18 18 LEU N N 18 119.963 123.797 -3.834 1 1 149 . 17 1 1 A 19 19 TYR H H 19 9.108 8.785 0.323 1 1 150 . 17 1 1 A 19 19 TYR HA H 19 5.121 4.680 0.441 1 1 157 . 17 1 1 A 19 19 TYR C C 19 174.515 175.591 -1.076 1 1 158 . 17 1 1 A 19 19 TYR CA C 19 55.160 59.042 -3.882 1 1 159 . 17 1 1 A 19 19 TYR CB C 19 39.292 40.599 -1.307 1 1 164 . 17 1 1 A 19 19 TYR N N 19 127.955 122.880 5.075 1 1 165 . 17 1 1 A 20 20 PHE H H 20 7.560 7.460 0.100 1 1 166 . 17 1 1 A 20 20 PHE HA H 20 4.281 4.464 -0.183 1 1 174 . 17 1 1 A 20 20 PHE C C 20 171.170 173.014 -1.844 1 1 175 . 17 1 1 A 20 20 PHE CA C 20 57.031 57.282 -0.251 1 1 176 . 17 1 1 A 20 20 PHE CB C 20 40.937 41.666 -0.729 1 1 182 . 17 1 1 A 20 20 PHE N N 20 115.328 116.185 -0.857 1 1 183 . 17 1 1 A 21 21 GLU H H 21 5.556 8.418 -2.862 1 1 184 . 17 1 1 A 21 21 GLU HA H 21 5.191 4.941 0.250 1 1 189 . 17 1 1 A 21 21 GLU C C 21 173.024 174.339 -1.315 1 1 190 . 17 1 1 A 21 21 GLU CA C 21 53.025 54.151 -1.126 1 1 191 . 17 1 1 A 21 21 GLU CB C 21 31.760 33.557 -1.797 1 1 193 . 17 1 1 A 21 21 GLU N N 21 118.643 122.642 -3.999 1 1 194 . 17 1 1 A 22 22 GLY H H 22 7.721 7.664 0.057 1 1 195 . 17 1 1 A 22 22 GLY HA2 H 22 4.024 3.770 0.254 1 1 196 . 17 1 1 A 22 22 GLY HA3 H 22 3.107 3.991 -0.884 1 1 197 . 17 1 1 A 22 22 GLY C C 22 171.994 171.885 0.109 1 1 198 . 17 1 1 A 22 22 GLY CA C 22 45.013 45.502 -0.489 1 1 199 . 17 1 1 A 22 22 GLY N N 22 106.155 106.566 -0.411 1 1 200 . 17 1 1 A 23 23 PHE H H 23 8.881 8.394 0.487 1 1 201 . 17 1 1 A 23 23 PHE HA H 23 5.303 4.435 0.868 1 1 209 . 17 1 1 A 23 23 PHE C C 23 176.926 175.129 1.797 1 1 210 . 17 1 1 A 23 23 PHE CA C 23 60.013 59.738 0.275 1 1 211 . 17 1 1 A 23 23 PHE CB C 23 40.937 39.345 1.592 1 1 217 . 17 1 1 A 23 23 PHE N N 23 119.442 121.136 -1.694 1 1 218 . 17 1 1 A 24 24 LEU H H 24 9.072 8.583 0.489 1 1 219 . 17 1 1 A 24 24 LEU HA H 24 4.562 5.005 -0.443 1 1 229 . 17 1 1 A 24 24 LEU C C 24 174.406 174.659 -0.253 1 1 230 . 17 1 1 A 24 24 LEU CA C 24 54.437 53.493 0.944 1 1 231 . 17 1 1 A 24 24 LEU CB C 24 48.381 45.100 3.281 1 1 235 . 17 1 1 A 24 24 LEU N N 24 122.488 125.981 -3.493 1 1 236 . 17 1 1 A 25 25 LEU H H 25 8.120 8.616 -0.496 1 1 237 . 17 1 1 A 25 25 LEU HA H 25 5.480 5.339 0.141 1 1 247 . 17 1 1 A 25 25 LEU C C 25 176.175 175.925 0.250 1 1 248 . 17 1 1 A 25 25 LEU CA C 25 54.242 53.266 0.976 1 1 249 . 17 1 1 A 25 25 LEU CB C 25 42.576 42.832 -0.256 1 1 253 . 17 1 1 A 25 25 LEU N N 25 120.790 126.201 -5.411 1 1 254 . 17 1 1 A 26 26 ILE H H 26 9.110 8.886 0.224 1 1 255 . 17 1 1 A 26 26 ILE HA H 26 5.232 4.671 0.561 1 1 265 . 17 1 1 A 26 26 ILE C C 26 174.757 174.607 0.150 1 1 266 . 17 1 1 A 26 26 ILE CA C 26 57.613 60.073 -2.460 1 1 267 . 17 1 1 A 26 26 ILE CB C 26 41.343 40.082 1.261 1 1 271 . 17 1 1 A 26 26 ILE N N 26 120.679 124.740 -4.061 1 1 272 . 17 1 1 A 27 27 LYS H H 27 9.150 8.531 0.619 1 1 273 . 17 1 1 A 27 27 LYS HA H 27 4.425 4.710 -0.285 1 1 282 . 17 1 1 A 27 27 LYS C C 27 175.557 175.396 0.161 1 1 283 . 17 1 1 A 27 27 LYS CA C 27 56.095 54.623 1.472 1 1 284 . 17 1 1 A 27 27 LYS CB C 27 35.056 32.435 2.621 1 1 288 . 17 1 1 A 27 27 LYS N N 27 127.778 129.013 -1.235 1 1 289 . 17 1 1 A 28 28 ARG H H 28 5.868 7.232 -1.364 1 1 290 . 17 1 1 A 28 28 ARG HA H 28 4.429 3.991 0.438 1 1 298 . 17 1 1 A 28 28 ARG C C 28 176.078 177.323 -1.245 1 1 299 . 17 1 1 A 28 28 ARG CA C 28 54.542 56.216 -1.674 1 1 300 . 17 1 1 A 28 28 ARG CB C 28 31.602 30.609 0.993 1 1 303 . 17 1 1 A 28 28 ARG N N 28 124.548 126.446 -1.898 1 1 305 . 17 1 1 A 29 29 SER H H 29 9.067 8.608 0.459 1 1 306 . 17 1 1 A 29 29 SER HA H 29 4.181 4.087 0.094 1 1 309 . 17 1 1 A 29 29 SER C C 29 176.066 175.655 0.411 1 1 310 . 17 1 1 A 29 29 SER CA C 29 61.019 62.297 -1.278 1 1 311 . 17 1 1 A 29 29 SER CB C 29 63.057 62.552 0.505 1 1 312 . 17 1 1 A 29 29 SER N N 29 116.823 115.679 1.144 1 1 313 . 17 1 1 A 30 30 GLY HA2 H 30 3.810 3.998 -0.188 1 1 314 . 17 1 1 A 30 30 GLY HA3 H 30 4.172 4.014 0.158 1 1 315 . 17 1 1 A 30 30 GLY CA C 30 45.171 46.674 -1.503 1 1 316 . 17 1 1 A 31 31 TYR H H 31 8.001 8.417 -0.416 1 1 317 . 17 1 1 A 31 31 TYR HA H 31 4.729 4.980 -0.251 1 1 324 . 17 1 1 A 31 31 TYR CB C 31 37.249 40.034 -2.785 1 1 329 . 17 1 1 A 31 31 TYR N N 31 121.120 122.909 -1.789 1 1 330 . 17 1 1 A 32 32 ARG HA H 32 4.204 4.032 0.172 1 1 337 . 17 1 1 A 32 32 ARG C C 32 176.066 175.851 0.215 1 1 338 . 17 1 1 A 32 32 ARG CA C 32 57.631 58.281 -0.650 1 1 339 . 17 1 1 A 32 32 ARG CB C 32 30.861 30.401 0.460 1 1 342 . 17 1 1 A 33 33 GLU H H 33 7.700 7.584 0.116 1 1 343 . 17 1 1 A 33 33 GLU HA H 33 4.600 4.393 0.207 1 1 348 . 17 1 1 A 33 33 GLU C C 33 175.569 174.568 1.001 1 1 349 . 17 1 1 A 33 33 GLU CA C 33 53.695 55.312 -1.617 1 1 350 . 17 1 1 A 33 33 GLU CB C 33 33.000 31.257 1.743 1 1 352 . 17 1 1 A 33 33 GLU N N 33 115.988 113.439 2.549 1 1 353 . 17 1 1 A 34 34 TYR H H 34 8.755 8.434 0.321 1 1 354 . 17 1 1 A 34 34 TYR HA H 34 4.311 4.542 -0.231 1 1 361 . 17 1 1 A 34 34 TYR C C 34 176.999 175.513 1.486 1 1 362 . 17 1 1 A 34 34 TYR CA C 34 59.537 59.624 -0.087 1 1 363 . 17 1 1 A 34 34 TYR CB C 34 39.744 38.854 0.890 1 1 368 . 17 1 1 A 34 34 TYR N N 34 118.663 121.447 -2.784 1 1 369 . 17 1 1 A 35 35 GLU H H 35 9.024 8.836 0.188 1 1 370 . 17 1 1 A 35 35 GLU HA H 35 4.401 4.667 -0.266 1 1 375 . 17 1 1 A 35 35 GLU C C 35 174.406 175.454 -1.048 1 1 376 . 17 1 1 A 35 35 GLU CA C 35 54.330 55.110 -0.780 1 1 377 . 17 1 1 A 35 35 GLU CB C 35 31.972 31.830 0.142 1 1 379 . 17 1 1 A 35 35 GLU N N 35 122.488 124.213 -1.725 1 1 380 . 17 1 1 A 36 36 HIS H H 36 8.639 8.849 -0.210 1 1 381 . 17 1 1 A 36 36 HIS HA H 36 4.980 5.025 -0.045 1 1 386 . 17 1 1 A 36 36 HIS C C 36 174.127 174.277 -0.150 1 1 387 . 17 1 1 A 36 36 HIS CA C 36 55.607 54.810 0.797 1 1 388 . 17 1 1 A 36 36 HIS CB C 36 31.396 30.352 1.044 1 1 391 . 17 1 1 A 36 36 HIS N N 36 123.767 120.811 2.956 1 1 392 . 17 1 1 A 37 37 TYR H H 37 8.931 8.640 0.291 1 1 393 . 17 1 1 A 37 37 TYR HA H 37 5.668 5.046 0.622 1 1 400 . 17 1 1 A 37 37 TYR C C 37 177.969 174.789 3.180 1 1 401 . 17 1 1 A 37 37 TYR CA C 37 55.407 56.999 -1.592 1 1 402 . 17 1 1 A 37 37 TYR CB C 37 42.089 42.563 -0.474 1 1 407 . 17 1 1 A 37 37 TYR N N 37 124.075 120.794 3.281 1 1 408 . 17 1 1 A 38 38 TRP H H 38 8.931 9.543 -0.612 1 1 409 . 17 1 1 A 38 38 TRP HA H 38 4.329 5.054 -0.725 1 1 418 . 17 1 1 A 38 38 TRP C C 38 174.345 175.481 -1.136 1 1 419 . 17 1 1 A 38 38 TRP CA C 38 58.230 56.547 1.683 1 1 420 . 17 1 1 A 38 38 TRP CB C 38 28.846 29.296 -0.450 1 1 426 . 17 1 1 A 38 38 TRP N N 38 125.317 127.199 -1.882 1 1 428 . 17 1 1 A 39 39 THR H H 39 8.366 8.815 -0.449 1 1 429 . 17 1 1 A 39 39 THR HA H 39 5.535 5.096 0.439 1 1 434 . 17 1 1 A 39 39 THR C C 39 173.303 174.469 -1.166 1 1 435 . 17 1 1 A 39 39 THR CA C 39 62.037 63.029 -0.992 1 1 436 . 17 1 1 A 39 39 THR CB C 39 70.295 70.203 0.092 1 1 438 . 17 1 1 A 39 39 THR N N 39 127.024 122.515 4.509 1 1 439 . 17 1 1 A 40 40 GLU H H 40 8.902 10.029 -1.127 1 1 440 . 17 1 1 A 40 40 GLU HA H 40 4.816 4.866 -0.050 1 1 445 . 17 1 1 A 40 40 GLU C C 40 175.351 174.804 0.547 1 1 446 . 17 1 1 A 40 40 GLU CA C 40 53.607 54.914 -1.307 1 1 447 . 17 1 1 A 40 40 GLU CB C 40 34.639 32.973 1.666 1 1 449 . 17 1 1 A 40 40 GLU N N 40 120.613 125.079 -4.466 1 1 450 . 17 1 1 A 41 41 LEU H H 41 8.910 8.933 -0.023 1 1 451 . 17 1 1 A 41 41 LEU HA H 41 5.168 5.176 -0.008 1 1 461 . 17 1 1 A 41 41 LEU C C 41 174.806 174.948 -0.142 1 1 462 . 17 1 1 A 41 41 LEU CA C 41 53.872 54.517 -0.645 1 1 463 . 17 1 1 A 41 41 LEU CB C 41 43.610 43.261 0.349 1 1 467 . 17 1 1 A 41 41 LEU N N 41 123.682 127.720 -4.038 1 1 468 . 17 1 1 A 42 42 ARG H H 42 9.150 8.324 0.826 1 1 469 . 17 1 1 A 42 42 ARG HA H 42 5.182 4.349 0.833 1 1 474 . 17 1 1 A 42 42 ARG C C 42 176.272 176.386 -0.114 1 1 475 . 17 1 1 A 42 42 ARG CA C 42 53.643 54.721 -1.078 1 1 476 . 17 1 1 A 42 42 ARG CB C 42 33.205 33.209 -0.004 1 1 479 . 17 1 1 A 42 42 ARG N N 42 127.645 125.631 2.014 1 1 480 . 17 1 1 A 43 43 GLY H H 43 6.304 7.954 -1.650 1 1 481 . 17 1 1 A 43 43 GLY HA2 H 43 3.917 3.884 0.033 1 1 482 . 17 1 1 A 43 43 GLY HA3 H 43 3.812 4.057 -0.245 1 1 483 . 17 1 1 A 43 43 GLY C C 43 171.630 174.688 -3.058 1 1 484 . 17 1 1 A 43 43 GLY CA C 43 47.025 47.353 -0.328 1 1 485 . 17 1 1 A 43 43 GLY N N 43 112.565 113.180 -0.615 1 1 486 . 17 1 1 A 44 44 THR H H 44 7.841 8.398 -0.557 1 1 487 . 17 1 1 A 44 44 THR HA H 44 4.313 4.728 -0.415 1 1 492 . 17 1 1 A 44 44 THR C C 44 172.515 173.458 -0.943 1 1 493 . 17 1 1 A 44 44 THR CA C 44 60.207 60.818 -0.611 1 1 494 . 17 1 1 A 44 44 THR CB C 44 68.320 69.432 -1.112 1 1 496 . 17 1 1 A 44 44 THR N N 44 111.769 117.915 -6.146 1 1 497 . 17 1 1 A 45 45 THR H H 45 8.500 8.093 0.407 1 1 498 . 17 1 1 A 45 45 THR HA H 45 4.664 4.758 -0.094 1 1 503 . 17 1 1 A 45 45 THR C C 45 172.224 173.315 -1.091 1 1 504 . 17 1 1 A 45 45 THR CA C 45 62.413 61.723 0.690 1 1 505 . 17 1 1 A 45 45 THR CB C 45 69.848 71.214 -1.366 1 1 507 . 17 1 1 A 45 45 THR N N 45 118.681 117.196 1.485 1 1 508 . 17 1 1 A 46 46 LEU H H 46 8.391 9.304 -0.913 1 1 509 . 17 1 1 A 46 46 LEU HA H 46 4.892 4.583 0.309 1 1 519 . 17 1 1 A 46 46 LEU C C 46 174.260 175.447 -1.187 1 1 520 . 17 1 1 A 46 46 LEU CA C 46 52.654 54.616 -1.962 1 1 521 . 17 1 1 A 46 46 LEU CB C 46 42.911 41.724 1.187 1 1 525 . 17 1 1 A 46 46 LEU N N 46 125.559 128.329 -2.770 1 1 526 . 17 1 1 A 47 47 PHE H H 47 9.131 9.126 0.005 1 1 527 . 17 1 1 A 47 47 PHE HA H 47 3.940 4.819 -0.879 1 1 535 . 17 1 1 A 47 47 PHE C C 47 173.363 174.311 -0.948 1 1 536 . 17 1 1 A 47 47 PHE CA C 47 57.454 55.941 1.513 1 1 537 . 17 1 1 A 47 47 PHE CB C 47 42.747 40.765 1.982 1 1 543 . 17 1 1 A 47 47 PHE N N 47 121.095 123.787 -2.692 1 1 544 . 17 1 1 A 48 48 PHE H H 48 7.881 9.541 -1.660 1 1 545 . 17 1 1 A 48 48 PHE HA H 48 5.021 5.469 -0.448 1 1 553 . 17 1 1 A 48 48 PHE C C 48 173.727 174.563 -0.836 1 1 554 . 17 1 1 A 48 48 PHE CA C 48 56.166 55.231 0.935 1 1 555 . 17 1 1 A 48 48 PHE CB C 48 39.169 41.154 -1.985 1 1 561 . 17 1 1 A 48 48 PHE N N 48 120.063 122.447 -2.384 1 1 562 . 17 1 1 A 49 49 TYR H H 49 9.972 9.307 0.665 1 1 563 . 17 1 1 A 49 49 TYR HA H 49 5.190 5.213 -0.023 1 1 570 . 17 1 1 A 49 49 TYR C C 49 176.587 176.468 0.119 1 1 571 . 17 1 1 A 49 49 TYR CA C 49 56.254 57.031 -0.777 1 1 572 . 17 1 1 A 49 49 TYR CB C 49 41.842 43.386 -1.544 1 1 577 . 17 1 1 A 49 49 TYR N N 49 121.415 120.743 0.672 1 1 578 . 17 1 1 A 50 50 THR H H 50 9.511 8.946 0.565 1 1 579 . 17 1 1 A 50 50 THR HA H 50 4.571 4.536 0.035 1 1 584 . 17 1 1 A 50 50 THR C C 50 174.793 175.346 -0.553 1 1 585 . 17 1 1 A 50 50 THR CA C 50 65.361 64.996 0.365 1 1 586 . 17 1 1 A 50 50 THR CB C 50 69.043 69.202 -0.159 1 1 588 . 17 1 1 A 50 50 THR N N 50 114.446 115.938 -1.492 1 1 589 . 17 1 1 A 51 51 ASP H H 51 7.828 8.284 -0.456 1 1 590 . 17 1 1 A 51 51 ASP HA H 51 4.803 5.197 -0.394 1 1 593 . 17 1 1 A 51 51 ASP C C 51 174.685 176.229 -1.544 1 1 594 . 17 1 1 A 51 51 ASP CA C 51 53.254 55.990 -2.736 1 1 595 . 17 1 1 A 51 51 ASP CB C 51 43.586 42.933 0.653 1 1 596 . 17 1 1 A 51 51 ASP N N 51 115.656 120.162 -4.506 1 1 597 . 17 1 1 A 52 52 LYS H H 52 8.271 7.757 0.514 1 1 598 . 17 1 1 A 52 52 LYS HA H 52 2.800 4.204 -1.404 1 1 607 . 17 1 1 A 52 52 LYS C C 52 176.671 177.627 -0.956 1 1 608 . 17 1 1 A 52 52 LYS CA C 52 58.372 57.323 1.049 1 1 609 . 17 1 1 A 52 52 LYS CB C 52 32.178 34.147 -1.969 1 1 613 . 17 1 1 A 52 52 LYS N N 52 119.009 116.390 2.619 1 1 614 . 17 1 1 A 53 53 LYS H H 53 8.068 8.599 -0.531 1 1 615 . 17 1 1 A 53 53 LYS HA H 53 4.109 3.978 0.131 1 1 624 . 17 1 1 A 53 53 LYS C C 53 176.950 177.375 -0.425 1 1 625 . 17 1 1 A 53 53 LYS CA C 53 55.830 59.500 -3.670 1 1 626 . 17 1 1 A 53 53 LYS CB C 53 32.301 32.203 0.098 1 1 630 . 17 1 1 A 53 53 LYS N N 53 116.395 121.002 -4.607 1 1 631 . 17 1 1 A 54 54 SER H H 54 7.549 7.732 -0.183 1 1 632 . 17 1 1 A 54 54 SER HA H 54 4.316 4.350 -0.034 1 1 635 . 17 1 1 A 54 54 SER C C 54 174.394 174.987 -0.593 1 1 636 . 17 1 1 A 54 54 SER CA C 54 59.395 58.774 0.621 1 1 637 . 17 1 1 A 54 54 SER CB C 54 64.337 64.062 0.275 1 1 638 . 17 1 1 A 54 54 SER N N 54 116.653 114.109 2.544 1 1 639 . 17 1 1 A 55 55 ILE H H 55 8.424 8.955 -0.531 1 1 640 . 17 1 1 A 55 55 ILE HA H 55 4.267 4.260 0.007 1 1 650 . 17 1 1 A 55 55 ILE C C 55 174.999 176.309 -1.310 1 1 651 . 17 1 1 A 55 55 ILE CA C 55 62.213 63.653 -1.440 1 1 652 . 17 1 1 A 55 55 ILE CB C 55 38.728 38.896 -0.168 1 1 656 . 17 1 1 A 55 55 ILE N N 55 118.660 128.585 -9.925 1 1 657 . 17 1 1 A 56 56 ILE H H 56 7.771 7.941 -0.170 1 1 658 . 17 1 1 A 56 56 ILE HA H 56 4.561 4.280 0.281 1 1 668 . 17 1 1 A 56 56 ILE C C 56 175.266 175.115 0.151 1 1 669 . 17 1 1 A 56 56 ILE CA C 56 59.342 60.706 -1.364 1 1 670 . 17 1 1 A 56 56 ILE CB C 56 39.506 37.017 2.489 1 1 674 . 17 1 1 A 56 56 ILE N N 56 119.568 121.665 -2.097 1 1 675 . 17 1 1 A 57 57 TYR H H 57 7.251 8.987 -1.736 1 1 676 . 17 1 1 A 57 57 TYR HA H 57 4.261 3.891 0.370 1 1 683 . 17 1 1 A 57 57 TYR C C 57 174.902 176.450 -1.548 1 1 684 . 17 1 1 A 57 57 TYR CA C 57 56.201 57.759 -1.558 1 1 685 . 17 1 1 A 57 57 TYR CB C 57 37.230 38.544 -1.314 1 1 690 . 17 1 1 A 58 58 VAL H H 58 9.157 8.365 0.792 1 1 691 . 17 1 1 A 58 58 VAL HA H 58 4.251 3.850 0.401 1 1 699 . 17 1 1 A 58 58 VAL C C 58 175.812 174.958 0.854 1 1 700 . 17 1 1 A 58 58 VAL CA C 58 62.360 64.834 -2.474 1 1 701 . 17 1 1 A 58 58 VAL CB C 58 33.123 32.146 0.977 1 1 704 . 17 1 1 A 58 58 VAL N N 58 116.888 120.550 -3.662 1 1 705 . 17 1 1 A 59 59 ASP H H 59 7.990 7.595 0.395 1 1 706 . 17 1 1 A 59 59 ASP HA H 59 4.970 5.241 -0.271 1 1 709 . 17 1 1 A 59 59 ASP C C 59 172.346 173.922 -1.576 1 1 710 . 17 1 1 A 59 59 ASP CA C 59 52.601 53.281 -0.680 1 1 711 . 17 1 1 A 59 59 ASP CB C 59 42.952 44.937 -1.985 1 1 712 . 17 1 1 A 59 59 ASP N N 59 117.301 119.136 -1.835 1 1 713 . 17 1 1 A 60 60 LYS H H 60 8.991 8.825 0.166 1 1 714 . 17 1 1 A 60 60 LYS HA H 60 4.761 4.604 0.157 1 1 723 . 17 1 1 A 60 60 LYS C C 60 173.666 174.225 -0.559 1 1 724 . 17 1 1 A 60 60 LYS CA C 60 54.718 53.878 0.840 1 1 725 . 17 1 1 A 60 60 LYS CB C 60 35.097 36.545 -1.448 1 1 729 . 17 1 1 A 60 60 LYS N N 60 118.648 117.406 1.242 1 1 730 . 17 1 1 A 61 61 LEU H H 61 8.702 8.894 -0.192 1 1 731 . 17 1 1 A 61 61 LEU HA H 61 4.462 4.770 -0.308 1 1 741 . 17 1 1 A 61 61 LEU C C 61 173.630 174.665 -1.035 1 1 742 . 17 1 1 A 61 61 LEU CA C 61 54.065 53.368 0.697 1 1 743 . 17 1 1 A 61 61 LEU CB C 61 47.032 46.354 0.678 1 1 747 . 17 1 1 A 61 61 LEU N N 61 121.890 120.147 1.743 1 1 748 . 17 1 1 A 62 62 ASP H H 62 8.868 8.795 0.073 1 1 749 . 17 1 1 A 62 62 ASP HA H 62 4.841 5.102 -0.261 1 1 752 . 17 1 1 A 62 62 ASP C C 62 178.029 175.656 2.373 1 1 753 . 17 1 1 A 62 62 ASP CA C 62 53.819 52.754 1.065 1 1 754 . 17 1 1 A 62 62 ASP CB C 62 40.772 44.222 -3.450 1 1 755 . 17 1 1 A 62 62 ASP N N 62 128.697 121.502 7.195 1 1 756 . 17 1 1 A 63 63 ILE H H 63 9.261 7.939 1.322 1 1 757 . 17 1 1 A 63 63 ILE HA H 63 4.554 4.599 -0.045 1 1 767 . 17 1 1 A 63 63 ILE C C 63 175.617 176.984 -1.367 1 1 768 . 17 1 1 A 63 63 ILE CA C 63 60.736 60.318 0.418 1 1 769 . 17 1 1 A 63 63 ILE CB C 63 38.364 37.870 0.494 1 1 773 . 17 1 1 A 63 63 ILE N N 63 120.253 120.812 -0.559 1 1 774 . 17 1 1 A 64 64 VAL H H 64 8.010 7.332 0.678 1 1 775 . 17 1 1 A 64 64 VAL HA H 64 3.781 3.823 -0.042 1 1 783 . 17 1 1 A 64 64 VAL C C 64 174.878 177.103 -2.225 1 1 784 . 17 1 1 A 64 64 VAL CA C 64 65.572 64.898 0.674 1 1 785 . 17 1 1 A 64 64 VAL CB C 64 30.532 31.690 -1.158 1 1 788 . 17 1 1 A 64 64 VAL N N 64 122.413 122.756 -0.343 1 1 789 . 17 1 1 A 65 65 ASP H H 65 8.391 7.693 0.698 1 1 790 . 17 1 1 A 65 65 ASP HA H 65 4.841 4.753 0.088 1 1 793 . 17 1 1 A 65 65 ASP C C 65 174.854 175.586 -0.732 1 1 794 . 17 1 1 A 65 65 ASP CA C 65 53.483 54.016 -0.533 1 1 795 . 17 1 1 A 65 65 ASP CB C 65 40.114 40.986 -0.872 1 1 796 . 17 1 1 A 65 65 ASP N N 65 119.308 119.261 0.047 1 1 797 . 17 1 1 A 66 66 LEU H H 66 7.517 7.137 0.380 1 1 798 . 17 1 1 A 66 66 LEU HA H 66 3.962 4.163 -0.201 1 1 808 . 17 1 1 A 66 66 LEU C C 66 176.708 177.570 -0.862 1 1 809 . 17 1 1 A 66 66 LEU CA C 66 57.471 56.375 1.096 1 1 810 . 17 1 1 A 66 66 LEU CB C 66 43.322 42.954 0.368 1 1 814 . 17 1 1 A 66 66 LEU N N 66 120.009 122.601 -2.592 1 1 815 . 17 1 1 A 67 67 THR H H 67 9.329 10.026 -0.697 1 1 816 . 17 1 1 A 67 67 THR HA H 67 4.363 4.287 0.076 1 1 821 . 17 1 1 A 67 67 THR C C 67 175.145 174.118 1.027 1 1 822 . 17 1 1 A 67 67 THR CA C 67 64.019 63.659 0.360 1 1 823 . 17 1 1 A 67 67 THR CB C 67 69.107 69.119 -0.012 1 1 825 . 17 1 1 A 67 67 THR N N 67 123.534 121.052 2.482 1 1 826 . 17 1 1 A 68 68 CYS H H 68 7.584 7.088 0.496 1 1 827 . 17 1 1 A 68 68 CYS HA H 68 4.604 4.726 -0.122 1 1 830 . 17 1 1 A 68 68 CYS C C 68 170.528 172.324 -1.796 1 1 831 . 17 1 1 A 68 68 CYS CA C 68 57.402 58.520 -1.118 1 1 832 . 17 1 1 A 68 68 CYS CB C 68 29.175 31.118 -1.943 1 1 833 . 17 1 1 A 68 68 CYS N N 68 115.015 115.957 -0.942 1 1 834 . 17 1 1 A 69 69 LEU H H 69 8.730 8.678 0.052 1 1 835 . 17 1 1 A 69 69 LEU HA H 69 5.411 5.243 0.168 1 1 845 . 17 1 1 A 69 69 LEU C C 69 176.356 175.767 0.589 1 1 846 . 17 1 1 A 69 69 LEU CA C 69 54.242 54.109 0.133 1 1 847 . 17 1 1 A 69 69 LEU CB C 69 44.885 45.719 -0.834 1 1 851 . 17 1 1 A 69 69 LEU N N 69 125.633 122.588 3.045 1 1 852 . 17 1 1 A 70 70 THR H H 70 9.197 8.853 0.344 1 1 853 . 17 1 1 A 70 70 THR HA H 70 4.702 5.290 -0.588 1 1 858 . 17 1 1 A 70 70 THR C C 70 173.582 173.406 0.176 1 1 859 . 17 1 1 A 70 70 THR CA C 70 60.384 59.691 0.693 1 1 860 . 17 1 1 A 70 70 THR CB C 70 70.870 71.477 -0.607 1 1 862 . 17 1 1 A 70 70 THR N N 70 120.391 117.384 3.007 1 1 863 . 17 1 1 A 71 71 GLU H H 71 8.965 8.878 0.087 1 1 864 . 17 1 1 A 71 71 GLU HA H 71 4.685 5.248 -0.563 1 1 869 . 17 1 1 A 71 71 GLU C C 71 175.957 175.620 0.337 1 1 870 . 17 1 1 A 71 71 GLU CA C 71 56.254 54.728 1.526 1 1 871 . 17 1 1 A 71 71 GLU CB C 71 31.396 32.161 -0.765 1 1 873 . 17 1 1 A 71 71 GLU N N 71 124.718 120.204 4.514 1 1 874 . 17 1 1 A 72 72 GLN H H 72 8.318 8.430 -0.112 1 1 875 . 17 1 1 A 72 72 GLN HA H 72 4.629 4.518 0.111 1 1 882 . 17 1 1 A 72 72 GLN C C 72 175.254 175.783 -0.529 1 1 883 . 17 1 1 A 72 72 GLN CA C 72 55.336 56.363 -1.027 1 1 884 . 17 1 1 A 72 72 GLN CB C 72 30.533 29.038 1.495 1 1 886 . 17 1 1 A 72 72 GLN N N 72 123.543 124.333 -0.790 1 1 888 . 17 1 1 A 73 73 ASN H H 73 8.670 8.475 0.195 1 1 889 . 17 1 1 A 73 73 ASN HA H 73 4.688 5.576 -0.888 1 1 894 . 17 1 1 A 73 73 ASN C C 73 175.229 174.436 0.793 1 1 895 . 17 1 1 A 73 73 ASN CA C 73 53.607 52.441 1.166 1 1 896 . 17 1 1 A 73 73 ASN CB C 73 39.169 42.593 -3.424 1 1 897 . 17 1 1 A 73 73 ASN N N 73 120.534 123.854 -3.320 1 1 899 . 17 1 1 A 74 74 SER H H 74 8.641 8.753 -0.112 1 1 900 . 17 1 1 A 74 74 SER HA H 74 4.652 4.613 0.039 1 1 903 . 17 1 1 A 74 74 SER C C 74 175.121 173.299 1.822 1 1 904 . 17 1 1 A 74 74 SER CA C 74 58.409 59.548 -1.139 1 1 905 . 17 1 1 A 74 74 SER CB C 74 64.401 65.546 -1.145 1 1 906 . 17 1 1 A 74 74 SER N N 74 117.448 116.567 0.881 1 1 907 . 17 1 1 A 75 75 THR HA H 75 4.282 4.679 -0.397 1 1 912 . 17 1 1 A 75 75 THR C C 75 174.878 174.023 0.855 1 1 913 . 17 1 1 A 75 75 THR CA C 75 62.819 60.996 1.823 1 1 914 . 17 1 1 A 75 75 THR CB C 75 69.061 70.867 -1.806 1 1 916 . 17 1 1 A 76 76 GLU H H 76 8.156 8.429 -0.273 1 1 917 . 17 1 1 A 76 76 GLU HA H 76 4.350 4.248 0.102 1 1 922 . 17 1 1 A 76 76 GLU C C 76 176.138 175.763 0.375 1 1 923 . 17 1 1 A 76 76 GLU CA C 76 56.202 57.104 -0.902 1 1 924 . 17 1 1 A 76 76 GLU CB C 76 30.532 29.810 0.722 1 1 926 . 17 1 1 A 76 76 GLU N N 76 122.220 124.744 -2.524 1 1 927 . 17 1 1 A 77 77 LYS H H 77 8.443 8.574 -0.131 1 1 928 . 17 1 1 A 77 77 LYS HA H 77 4.221 4.855 -0.634 1 1 937 . 17 1 1 A 77 77 LYS C C 77 176.465 174.835 1.630 1 1 938 . 17 1 1 A 77 77 LYS CA C 77 56.730 54.345 2.385 1 1 939 . 17 1 1 A 77 77 LYS CB C 77 32.301 36.129 -3.828 1 1 943 . 17 1 1 A 77 77 LYS N N 77 122.162 127.410 -5.248 1 1 944 . 17 1 1 A 78 78 ASN H H 78 8.621 8.707 -0.086 1 1 945 . 17 1 1 A 78 78 ASN HA H 78 4.641 5.031 -0.390 1 1 950 . 17 1 1 A 78 78 ASN C C 78 173.485 173.815 -0.330 1 1 951 . 17 1 1 A 78 78 ASN CA C 78 53.748 52.153 1.595 1 1 952 . 17 1 1 A 78 78 ASN CB C 78 38.058 42.260 -4.202 1 1 953 . 17 1 1 A 78 78 ASN N N 78 116.583 118.086 -1.503 1 1 955 . 17 1 1 A 79 79 CYS H H 79 7.551 8.690 -1.139 1 1 956 . 17 1 1 A 79 79 CYS HA H 79 4.371 4.465 -0.094 1 1 959 . 17 1 1 A 79 79 CYS C C 79 172.515 174.160 -1.645 1 1 960 . 17 1 1 A 79 79 CYS CA C 79 57.295 61.276 -3.981 1 1 961 . 17 1 1 A 79 79 CYS CB C 79 29.628 26.677 2.951 1 1 962 . 17 1 1 A 79 79 CYS N N 79 112.640 119.793 -7.153 1 1 963 . 17 1 1 A 80 80 ALA H H 80 7.642 8.520 -0.878 1 1 964 . 17 1 1 A 80 80 ALA HA H 80 4.727 4.487 0.240 1 1 968 . 17 1 1 A 80 80 ALA C C 80 175.314 177.349 -2.035 1 1 969 . 17 1 1 A 80 80 ALA CA C 80 51.330 52.100 -0.770 1 1 970 . 17 1 1 A 80 80 ALA CB C 80 21.896 19.557 2.339 1 1 971 . 17 1 1 A 80 80 ALA N N 80 124.099 126.457 -2.358 1 1 972 . 17 1 1 A 81 81 LYS H H 81 8.459 8.651 -0.192 1 1 973 . 17 1 1 A 81 81 LYS HA H 81 5.112 4.832 0.280 1 1 982 . 17 1 1 A 81 81 LYS C C 81 174.781 175.117 -0.336 1 1 983 . 17 1 1 A 81 81 LYS CA C 81 55.283 54.645 0.638 1 1 984 . 17 1 1 A 81 81 LYS CB C 81 36.133 34.882 1.251 1 1 988 . 17 1 1 A 81 81 LYS N N 81 119.796 123.208 -3.412 1 1 989 . 17 1 1 A 82 82 PHE H H 82 8.748 7.801 0.947 1 1 990 . 17 1 1 A 82 82 PHE HA H 82 5.513 5.887 -0.374 1 1 998 . 17 1 1 A 82 82 PHE C C 82 174.357 172.786 1.571 1 1 999 . 17 1 1 A 82 82 PHE CA C 82 55.643 55.980 -0.337 1 1 1000 . 17 1 1 A 82 82 PHE CB C 82 42.089 42.604 -0.515 1 1 1006 . 17 1 1 A 82 82 PHE N N 82 119.073 119.929 -0.856 1 1 1007 . 17 1 1 A 83 83 THR H H 83 9.290 8.619 0.671 1 1 1008 . 17 1 1 A 83 83 THR HA H 83 5.032 5.313 -0.281 1 1 1013 . 17 1 1 A 83 83 THR C C 83 173.472 173.674 -0.202 1 1 1014 . 17 1 1 A 83 83 THR CA C 83 62.113 61.193 0.920 1 1 1015 . 17 1 1 A 83 83 THR CB C 83 71.076 71.617 -0.541 1 1 1017 . 17 1 1 A 83 83 THR N N 83 116.845 115.386 1.459 1 1 1018 . 17 1 1 A 84 84 LEU H H 84 9.502 10.235 -0.733 1 1 1019 . 17 1 1 A 84 84 LEU HA H 84 4.691 4.878 -0.187 1 1 1029 . 17 1 1 A 84 84 LEU C C 84 174.308 175.963 -1.655 1 1 1030 . 17 1 1 A 84 84 LEU CA C 84 54.224 53.773 0.451 1 1 1031 . 17 1 1 A 84 84 LEU CB C 84 41.636 41.892 -0.256 1 1 1035 . 17 1 1 A 84 84 LEU N N 84 125.923 126.703 -0.780 1 1 1036 . 17 1 1 A 85 85 VAL H H 85 8.620 8.388 0.232 1 1 1037 . 17 1 1 A 85 85 VAL HA H 85 4.151 4.296 -0.145 1 1 1045 . 17 1 1 A 85 85 VAL C C 85 174.188 175.333 -1.145 1 1 1046 . 17 1 1 A 85 85 VAL CA C 85 63.649 62.697 0.952 1 1 1047 . 17 1 1 A 85 85 VAL CB C 85 30.861 31.123 -0.262 1 1 1050 . 17 1 1 A 85 85 VAL N N 85 126.007 125.265 0.742 1 1 1051 . 17 1 1 A 86 86 LEU H H 86 8.534 8.768 -0.234 1 1 1052 . 17 1 1 A 86 86 LEU HA H 86 4.853 4.756 0.097 1 1 1062 . 17 1 1 A 86 86 LEU C C 86 174.878 176.692 -1.814 1 1 1063 . 17 1 1 A 86 86 LEU CA C 86 53.183 52.222 0.961 1 1 1064 . 17 1 1 A 86 86 LEU CB C 86 40.485 42.977 -2.492 1 1 1068 . 17 1 1 A 86 86 LEU N N 86 129.551 128.289 1.262 1 1 1069 . 17 1 1 A 87 87 PRO HA H 87 4.221 4.542 -0.321 1 1 1076 . 17 1 1 A 87 87 PRO C C 87 178.223 177.074 1.149 1 1 1077 . 17 1 1 A 87 87 PRO CA C 87 66.455 64.143 2.312 1 1 1078 . 17 1 1 A 87 87 PRO CB C 87 32.260 31.704 0.556 1 1 1081 . 17 1 1 A 88 88 LYS H H 88 8.414 8.210 0.204 1 1 1082 . 17 1 1 A 88 88 LYS HA H 88 4.548 4.370 0.178 1 1 1091 . 17 1 1 A 88 88 LYS C C 88 176.187 176.537 -0.350 1 1 1092 . 17 1 1 A 88 88 LYS CA C 88 55.071 57.004 -1.933 1 1 1093 . 17 1 1 A 88 88 LYS CB C 88 33.534 33.986 -0.452 1 1 1097 . 17 1 1 A 88 88 LYS N N 88 110.404 116.788 -6.384 1 1 1098 . 17 1 1 A 89 89 GLU H H 89 7.208 7.754 -0.546 1 1 1099 . 17 1 1 A 89 89 GLU HA H 89 4.561 4.716 -0.155 1 1 1104 . 17 1 1 A 89 89 GLU C C 89 172.527 174.260 -1.733 1 1 1105 . 17 1 1 A 89 89 GLU CA C 89 56.007 55.637 0.370 1 1 1106 . 17 1 1 A 89 89 GLU CB C 89 33.082 33.658 -0.576 1 1 1108 . 17 1 1 A 89 89 GLU N N 89 116.828 115.390 1.438 1 1 1109 . 17 1 1 A 90 90 GLU H H 90 8.321 8.595 -0.274 1 1 1110 . 17 1 1 A 90 90 GLU HA H 90 5.249 5.299 -0.050 1 1 1115 . 17 1 1 A 90 90 GLU C C 90 176.296 176.141 0.155 1 1 1116 . 17 1 1 A 90 90 GLU CA C 90 54.860 55.894 -1.034 1 1 1117 . 17 1 1 A 90 90 GLU CB C 90 31.972 31.347 0.625 1 1 1119 . 17 1 1 A 90 90 GLU N N 90 119.609 124.452 -4.843 1 1 1120 . 17 1 1 A 91 91 VAL H H 91 8.972 8.453 0.519 1 1 1121 . 17 1 1 A 91 91 VAL HA H 91 4.352 4.718 -0.366 1 1 1129 . 17 1 1 A 91 91 VAL C C 91 174.284 174.612 -0.328 1 1 1130 . 17 1 1 A 91 91 VAL CA C 91 61.284 60.293 0.991 1 1 1131 . 17 1 1 A 91 91 VAL CB C 91 34.891 35.638 -0.747 1 1 1134 . 17 1 1 A 91 91 VAL N N 91 123.947 122.979 0.968 1 1 1135 . 17 1 1 A 92 92 GLN H H 92 8.241 8.417 -0.176 1 1 1136 . 17 1 1 A 92 92 GLN HA H 92 4.930 4.958 -0.028 1 1 1143 . 17 1 1 A 92 92 GLN C C 92 174.115 175.053 -0.938 1 1 1144 . 17 1 1 A 92 92 GLN CA C 92 55.583 55.463 0.120 1 1 1145 . 17 1 1 A 92 92 GLN CB C 92 30.121 30.888 -0.767 1 1 1147 . 17 1 1 A 92 92 GLN N N 92 125.869 126.357 -0.488 1 1 1149 . 17 1 1 A 93 93 LEU H H 93 9.145 8.479 0.666 1 1 1150 . 17 1 1 A 93 93 LEU HA H 93 5.456 5.135 0.321 1 1 1160 . 17 1 1 A 93 93 LEU C C 93 176.256 174.816 1.440 1 1 1161 . 17 1 1 A 93 93 LEU CA C 93 53.801 53.355 0.446 1 1 1162 . 17 1 1 A 93 93 LEU CB C 93 45.913 46.084 -0.171 1 1 1166 . 17 1 1 A 93 93 LEU N N 93 123.952 123.206 0.746 1 1 1167 . 17 1 1 A 94 94 LYS H H 94 9.255 8.396 0.859 1 1 1168 . 17 1 1 A 94 94 LYS HA H 94 5.452 4.711 0.741 1 1 1177 . 17 1 1 A 94 94 LYS C C 94 174.563 174.475 0.088 1 1 1178 . 17 1 1 A 94 94 LYS CA C 94 54.718 55.020 -0.302 1 1 1179 . 17 1 1 A 94 94 LYS CB C 94 36.571 35.740 0.831 1 1 1183 . 17 1 1 A 94 94 LYS N N 94 124.618 123.599 1.019 1 1 1184 . 17 1 1 A 95 95 THR H H 95 8.582 8.390 0.192 1 1 1185 . 17 1 1 A 95 95 THR HA H 95 4.946 4.771 0.175 1 1 1190 . 17 1 1 A 95 95 THR C C 95 175.278 174.933 0.345 1 1 1191 . 17 1 1 A 95 95 THR CA C 95 59.908 60.107 -0.199 1 1 1192 . 17 1 1 A 95 95 THR CB C 95 70.917 70.427 0.490 1 1 1194 . 17 1 1 A 95 95 THR N N 95 112.788 116.247 -3.459 1 1 1195 . 17 1 1 A 96 96 GLU H H 96 9.033 8.834 0.199 1 1 1196 . 17 1 1 A 96 96 GLU HA H 96 4.321 4.399 -0.078 1 1 1201 . 17 1 1 A 96 96 GLU C C 96 175.435 176.776 -1.341 1 1 1202 . 17 1 1 A 96 96 GLU CA C 96 57.595 58.226 -0.631 1 1 1203 . 17 1 1 A 96 96 GLU CB C 96 30.656 30.437 0.219 1 1 1205 . 17 1 1 A 96 96 GLU N N 96 117.745 118.662 -0.917 1 1 1206 . 17 1 1 A 97 97 ASN H H 97 7.562 8.016 -0.454 1 1 1207 . 17 1 1 A 97 97 ASN HA H 97 5.074 4.933 0.141 1 1 1212 . 17 1 1 A 97 97 ASN C C 97 176.575 175.984 0.591 1 1 1213 . 17 1 1 A 97 97 ASN CA C 97 52.195 52.294 -0.099 1 1 1214 . 17 1 1 A 97 97 ASN CB C 97 40.485 39.024 1.461 1 1 1215 . 17 1 1 A 97 97 ASN N N 97 110.462 117.496 -7.034 1 1 1217 . 17 1 1 A 98 98 THR HA H 98 3.916 3.946 -0.030 1 1 1222 . 17 1 1 A 98 98 THR C C 98 176.938 176.202 0.736 1 1 1223 . 17 1 1 A 98 98 THR CA C 98 66.349 67.427 -1.078 1 1 1224 . 17 1 1 A 98 98 THR CB C 98 68.638 68.783 -0.145 1 1 1226 . 17 1 1 A 99 99 GLU H H 99 9.316 8.273 1.043 1 1 1227 . 17 1 1 A 99 99 GLU HA H 99 4.221 4.038 0.183 1 1 1232 . 17 1 1 A 99 99 GLU C C 99 179.241 178.887 0.354 1 1 1233 . 17 1 1 A 99 99 GLU CA C 99 60.754 59.336 1.418 1 1 1234 . 17 1 1 A 99 99 GLU CB C 99 28.764 29.399 -0.635 1 1 1236 . 17 1 1 A 99 99 GLU N N 99 125.868 121.663 4.205 1 1 1237 . 17 1 1 A 100 100 SER H H 100 8.739 8.413 0.326 1 1 1238 . 17 1 1 A 100 100 SER HA H 100 4.863 4.489 0.374 1 1 1241 . 17 1 1 A 100 100 SER C C 100 177.411 177.446 -0.035 1 1 1242 . 17 1 1 A 100 100 SER CA C 100 61.037 62.750 -1.713 1 1 1243 . 17 1 1 A 100 100 SER CB C 100 63.879 63.178 0.701 1 1 1244 . 17 1 1 A 100 100 SER N N 100 114.755 115.829 -1.074 1 1 1245 . 17 1 1 A 101 101 GLY H H 101 7.879 8.328 -0.449 1 1 1246 . 17 1 1 A 101 101 GLY HA2 H 101 4.139 3.933 0.206 1 1 1247 . 17 1 1 A 101 101 GLY HA3 H 101 4.012 4.036 -0.024 1 1 1248 . 17 1 1 A 101 101 GLY C C 101 174.611 176.009 -1.398 1 1 1249 . 17 1 1 A 101 101 GLY CA C 101 48.948 47.606 1.342 1 1 1250 . 17 1 1 A 101 101 GLY N N 101 108.940 109.499 -0.559 1 1 1251 . 17 1 1 A 102 102 GLU H H 102 7.801 7.826 -0.025 1 1 1252 . 17 1 1 A 102 102 GLU HA H 102 4.171 4.080 0.091 1 1 1257 . 17 1 1 A 102 102 GLU C C 102 179.084 179.424 -0.340 1 1 1258 . 17 1 1 A 102 102 GLU CA C 102 58.601 59.369 -0.768 1 1 1259 . 17 1 1 A 102 102 GLU CB C 102 29.627 29.201 0.426 1 1 1261 . 17 1 1 A 102 102 GLU N N 102 120.720 121.334 -0.614 1 1 1262 . 17 1 1 A 103 103 GLU H H 103 7.781 8.075 -0.294 1 1 1263 . 17 1 1 A 103 103 GLU HA H 103 3.739 3.817 -0.078 1 1 1268 . 17 1 1 A 103 103 GLU C C 103 178.235 178.852 -0.617 1 1 1269 . 17 1 1 A 103 103 GLU CA C 103 60.366 59.226 1.140 1 1 1270 . 17 1 1 A 103 103 GLU CB C 103 30.491 28.909 1.582 1 1 1272 . 17 1 1 A 103 103 GLU N N 103 119.068 119.318 -0.250 1 1 1273 . 17 1 1 A 104 104 TRP H H 104 8.761 8.366 0.395 1 1 1274 . 17 1 1 A 104 104 TRP HA H 104 4.171 4.708 -0.537 1 1 1283 . 17 1 1 A 104 104 TRP C C 104 178.817 178.890 -0.073 1 1 1284 . 17 1 1 A 104 104 TRP CA C 104 62.290 60.406 1.884 1 1 1285 . 17 1 1 A 104 104 TRP CB C 104 29.340 29.653 -0.313 1 1 1291 . 17 1 1 A 104 104 TRP N N 104 118.358 121.281 -2.923 1 1 1293 . 17 1 1 A 105 105 ARG H H 105 8.400 8.283 0.117 1 1 1294 . 17 1 1 A 105 105 ARG HA H 105 3.481 3.679 -0.198 1 1 1302 . 17 1 1 A 105 105 ARG C C 105 177.666 179.307 -1.641 1 1 1303 . 17 1 1 A 105 105 ARG CA C 105 60.666 59.459 1.207 1 1 1304 . 17 1 1 A 105 105 ARG CB C 105 30.162 29.867 0.295 1 1 1307 . 17 1 1 A 105 105 ARG N N 105 117.098 119.209 -2.111 1 1 1309 . 17 1 1 A 106 106 GLY H H 106 8.202 8.721 -0.519 1 1 1310 . 17 1 1 A 106 106 GLY HA2 H 106 3.470 3.414 0.056 1 1 1311 . 17 1 1 A 106 106 GLY HA3 H 106 3.382 3.493 -0.111 1 1 1312 . 17 1 1 A 106 106 GLY C C 106 176.162 176.061 0.101 1 1 1313 . 17 1 1 A 106 106 GLY CA C 106 47.554 47.228 0.326 1 1 1314 . 17 1 1 A 106 106 GLY N N 106 104.212 106.373 -2.161 1 1 1315 . 17 1 1 A 107 107 PHE H H 107 8.491 8.230 0.261 1 1 1316 . 17 1 1 A 107 107 PHE HA H 107 3.722 4.458 -0.736 1 1 1324 . 17 1 1 A 107 107 PHE C C 107 177.265 178.130 -0.865 1 1 1325 . 17 1 1 A 107 107 PHE CA C 107 64.284 59.611 4.673 1 1 1326 . 17 1 1 A 107 107 PHE CB C 107 39.209 38.235 0.974 1 1 1332 . 17 1 1 A 107 107 PHE N N 107 122.710 120.622 2.088 1 1 1333 . 17 1 1 A 108 108 ILE H H 108 8.674 9.168 -0.494 1 1 1334 . 17 1 1 A 108 108 ILE HA H 108 3.523 3.728 -0.205 1 1 1344 . 17 1 1 A 108 108 ILE C C 108 178.623 178.095 0.528 1 1 1345 . 17 1 1 A 108 108 ILE CA C 108 66.384 65.041 1.343 1 1 1346 . 17 1 1 A 108 108 ILE CB C 108 37.852 37.874 -0.022 1 1 1350 . 17 1 1 A 108 108 ILE N N 108 117.395 120.268 -2.873 1 1 1351 . 17 1 1 A 109 109 LEU H H 109 8.378 8.474 -0.096 1 1 1352 . 17 1 1 A 109 109 LEU HA H 109 4.032 4.335 -0.303 1 1 1362 . 17 1 1 A 109 109 LEU C C 109 178.635 179.537 -0.902 1 1 1363 . 17 1 1 A 109 109 LEU CA C 109 57.878 57.780 0.098 1 1 1364 . 17 1 1 A 109 109 LEU CB C 109 40.854 41.676 -0.822 1 1 1368 . 17 1 1 A 109 109 LEU N N 109 118.573 119.454 -0.881 1 1 1369 . 17 1 1 A 110 110 THR H H 110 7.600 7.600 0.000 1 1 1370 . 17 1 1 A 110 110 THR HA H 110 4.110 4.560 -0.450 1 1 1375 . 17 1 1 A 110 110 THR C C 110 177.265 176.066 1.199 1 1 1376 . 17 1 1 A 110 110 THR CA C 110 68.325 66.248 2.077 1 1 1377 . 17 1 1 A 110 110 THR CB C 110 68.230 69.030 -0.800 1 1 1379 . 17 1 1 A 110 110 THR N N 110 115.926 114.837 1.089 1 1 1380 . 17 1 1 A 111 111 VAL H H 111 7.490 7.787 -0.297 1 1 1381 . 17 1 1 A 111 111 VAL HA H 111 3.912 4.362 -0.450 1 1 1389 . 17 1 1 A 111 111 VAL C C 111 174.793 176.715 -1.922 1 1 1390 . 17 1 1 A 111 111 VAL CA C 111 64.601 61.288 3.313 1 1 1391 . 17 1 1 A 111 111 VAL CB C 111 32.007 31.514 0.493 1 1 1394 . 17 1 1 A 111 111 VAL N N 111 109.123 115.393 -6.270 1 1 1395 . 17 1 1 A 112 112 THR H H 112 7.410 7.714 -0.304 1 1 1396 . 17 1 1 A 112 112 THR HA H 112 4.494 4.600 -0.106 1 1 1401 . 17 1 1 A 112 112 THR C C 112 177.265 175.508 1.757 1 1 1402 . 17 1 1 A 112 112 THR CA C 112 62.784 62.162 0.622 1 1 1403 . 17 1 1 A 112 112 THR CB C 112 69.290 70.480 -1.190 1 1 1405 . 17 1 1 A 112 112 THR N N 112 107.046 112.342 -5.296 1 1 1406 . 17 1 1 A 113 113 GLU H H 113 8.541 8.409 0.132 1 1 1407 . 17 1 1 A 113 113 GLU HA H 113 4.280 4.309 -0.029 1 1 1412 . 17 1 1 A 113 113 GLU C C 113 176.745 175.874 0.871 1 1 1413 . 17 1 1 A 113 113 GLU CA C 113 57.048 56.388 0.660 1 1 1414 . 17 1 1 A 113 113 GLU CB C 113 29.422 30.392 -0.970 1 1 1416 . 17 1 1 A 113 113 GLU N N 113 120.888 120.070 0.818 1 1 1417 . 17 1 1 A 114 114 LEU H H 114 7.561 7.680 -0.119 1 1 1418 . 17 1 1 A 114 114 LEU HA H 114 4.042 3.859 0.183 1 1 1428 . 17 1 1 A 114 114 LEU C C 114 175.569 175.249 0.320 1 1 1429 . 17 1 1 A 114 114 LEU CA C 114 55.213 56.367 -1.154 1 1 1430 . 17 1 1 A 114 114 LEU CB C 114 38.182 40.177 -1.995 1 1 1434 . 17 1 1 A 114 114 LEU N N 114 114.453 118.979 -4.526 1 1 1435 . 17 1 1 A 115 115 SER H H 115 7.113 7.624 -0.511 1 1 1436 . 17 1 1 A 115 115 SER HA H 115 4.315 4.732 -0.417 1 1 1439 . 17 1 1 A 115 115 SER C C 115 173.521 172.238 1.283 1 1 1440 . 17 1 1 A 115 115 SER CA C 115 57.454 56.393 1.061 1 1 1441 . 17 1 1 A 115 115 SER CB C 115 64.505 65.038 -0.533 1 1 1442 . 17 1 1 A 115 115 SER N N 115 110.010 112.772 -2.762 1 1 1443 . 17 1 1 A 116 116 VAL H H 116 8.635 8.427 0.208 1 1 1444 . 17 1 1 A 116 116 VAL HA H 116 4.210 4.335 -0.125 1 1 1452 . 17 1 1 A 116 116 VAL C C 116 175.024 174.376 0.648 1 1 1453 . 17 1 1 A 116 116 VAL CA C 116 60.948 58.725 2.223 1 1 1454 . 17 1 1 A 116 116 VAL CB C 116 32.177 32.844 -0.667 1 1 1457 . 17 1 1 A 116 116 VAL N N 116 129.442 122.156 7.286 1 1 1458 . 17 1 1 A 117 117 PRO HA H 117 4.381 4.711 -0.330 1 1 1465 . 17 1 1 A 117 117 PRO C C 117 176.478 177.289 -0.811 1 1 1466 . 17 1 1 A 117 117 PRO CA C 117 62.678 62.464 0.214 1 1 1467 . 17 1 1 A 117 117 PRO CB C 117 31.931 31.737 0.194 1 1 1470 . 17 1 1 A 118 118 GLN H H 118 8.576 8.714 -0.138 1 1 1471 . 17 1 1 A 118 118 GLN HA H 118 4.282 4.185 0.097 1 1 1478 . 17 1 1 A 118 118 GLN C C 118 176.575 176.655 -0.080 1 1 1479 . 17 1 1 A 118 118 GLN CA C 118 55.866 57.091 -1.225 1 1 1480 . 17 1 1 A 118 118 GLN CB C 118 29.704 29.030 0.674 1 1 1482 . 17 1 1 A 118 118 GLN N N 118 118.498 121.576 -3.078 1 1 1484 . 17 1 1 A 119 119 ASN H H 119 8.444 8.225 0.219 1 1 1485 . 17 1 1 A 119 119 ASN HA H 119 4.727 4.718 0.009 1 1 1490 . 17 1 1 A 119 119 ASN C C 119 174.842 174.797 0.045 1 1 1491 . 17 1 1 A 119 119 ASN CA C 119 52.812 52.447 0.365 1 1 1492 . 17 1 1 A 119 119 ASN CB C 119 37.071 37.376 -0.305 1 1 1493 . 17 1 1 A 119 119 ASN N N 119 117.223 114.743 2.480 1 1 1495 . 17 1 1 A 120 120 VAL H H 120 7.182 7.449 -0.267 1 1 1496 . 17 1 1 A 120 120 VAL HA H 120 4.381 4.060 0.321 1 1 1504 . 17 1 1 A 120 120 VAL C C 120 175.484 175.314 0.170 1 1 1505 . 17 1 1 A 120 120 VAL CA C 120 60.048 61.068 -1.020 1 1 1506 . 17 1 1 A 120 120 VAL CB C 120 34.028 33.358 0.670 1 1 1509 . 17 1 1 A 120 120 VAL N N 120 114.038 119.952 -5.914 1 1 1510 . 17 1 1 A 121 121 SER H H 121 9.313 8.804 0.509 1 1 1511 . 17 1 1 A 121 121 SER HA H 121 4.552 4.599 -0.047 1 1 1514 . 17 1 1 A 121 121 SER C C 121 173.096 174.549 -1.453 1 1 1515 . 17 1 1 A 121 121 SER CA C 121 57.119 58.459 -1.340 1 1 1516 . 17 1 1 A 121 121 SER CB C 121 62.528 65.258 -2.730 1 1 1517 . 17 1 1 A 121 121 SER N N 121 122.117 119.827 2.290 1 1 1518 . 17 1 1 A 122 122 LEU H H 122 7.470 7.544 -0.074 1 1 1519 . 17 1 1 A 122 122 LEU HA H 122 4.618 4.086 0.532 1 1 1529 . 17 1 1 A 122 122 LEU C C 122 176.526 177.165 -0.639 1 1 1530 . 17 1 1 A 122 122 LEU CA C 122 52.795 55.427 -2.632 1 1 1531 . 17 1 1 A 122 122 LEU CB C 122 45.790 42.679 3.111 1 1 1535 . 17 1 1 A 122 122 LEU N N 122 122.878 123.279 -0.401 1 1 1536 . 17 1 1 A 123 123 LEU H H 123 8.765 8.378 0.387 1 1 1537 . 17 1 1 A 123 123 LEU HA H 123 4.574 4.370 0.204 1 1 1547 . 17 1 1 A 123 123 LEU C C 123 176.769 176.780 -0.011 1 1 1548 . 17 1 1 A 123 123 LEU CA C 123 53.748 53.316 0.432 1 1 1549 . 17 1 1 A 123 123 LEU CB C 123 40.649 41.450 -0.801 1 1 1553 . 17 1 1 A 123 123 LEU N N 123 122.054 123.472 -1.418 1 1 1554 . 17 1 1 A 124 124 PRO HA H 124 4.232 4.486 -0.254 1 1 1561 . 17 1 1 A 124 124 PRO CA C 124 66.281 64.040 2.241 1 1 1562 . 17 1 1 A 124 124 PRO CB C 124 31.945 31.729 0.216 1 1 1565 . 17 1 1 A 125 125 GLY HA2 H 125 3.901 3.889 0.012 1 1 1566 . 17 1 1 A 125 125 GLY HA3 H 125 3.901 3.890 0.011 1 1 1567 . 17 1 1 A 125 125 GLY C C 125 176.696 175.872 0.824 1 1 1568 . 17 1 1 A 125 125 GLY CA C 125 46.724 46.427 0.297 1 1 1569 . 17 1 1 A 126 126 GLN H H 126 7.495 7.844 -0.349 1 1 1570 . 17 1 1 A 126 126 GLN HA H 126 4.261 3.982 0.279 1 1 1577 . 17 1 1 A 126 126 GLN C C 126 178.235 177.950 0.285 1 1 1578 . 17 1 1 A 126 126 GLN CA C 126 57.807 58.599 -0.792 1 1 1579 . 17 1 1 A 126 126 GLN CB C 126 30.039 28.357 1.682 1 1 1581 . 17 1 1 A 126 126 GLN N N 126 120.404 122.163 -1.759 1 1 1583 . 17 1 1 A 127 127 VAL H H 127 7.839 7.758 0.081 1 1 1584 . 17 1 1 A 127 127 VAL HA H 127 3.360 3.480 -0.120 1 1 1592 . 17 1 1 A 127 127 VAL C C 127 178.441 178.115 0.326 1 1 1593 . 17 1 1 A 127 127 VAL CA C 127 67.231 66.016 1.215 1 1 1594 . 17 1 1 A 127 127 VAL CB C 127 31.948 31.559 0.389 1 1 1597 . 17 1 1 A 127 127 VAL N N 127 121.180 119.938 1.242 1 1 1598 . 17 1 1 A 128 128 ILE H H 128 7.725 8.273 -0.548 1 1 1599 . 17 1 1 A 128 128 ILE HA H 128 3.820 3.635 0.185 1 1 1609 . 17 1 1 A 128 128 ILE C C 128 178.599 178.180 0.419 1 1 1610 . 17 1 1 A 128 128 ILE CA C 128 64.978 65.786 -0.808 1 1 1611 . 17 1 1 A 128 128 ILE CB C 128 37.976 37.722 0.254 1 1 1615 . 17 1 1 A 128 128 ILE N N 128 119.369 120.525 -1.156 1 1 1616 . 17 1 1 A 129 129 LYS H H 129 7.204 8.232 -1.028 1 1 1617 . 17 1 1 A 129 129 LYS HA H 129 4.241 4.029 0.212 1 1 1626 . 17 1 1 A 129 129 LYS C C 129 178.902 179.336 -0.434 1 1 1627 . 17 1 1 A 129 129 LYS CA C 129 58.690 59.584 -0.894 1 1 1628 . 17 1 1 A 129 129 LYS CB C 129 31.725 32.309 -0.584 1 1 1632 . 17 1 1 A 129 129 LYS N N 129 119.356 119.379 -0.023 1 1 1633 . 17 1 1 A 130 130 LEU H H 130 7.750 7.930 -0.180 1 1 1634 . 17 1 1 A 130 130 LEU HA H 130 3.649 3.889 -0.240 1 1 1644 . 17 1 1 A 130 130 LEU C C 130 178.756 178.926 -0.170 1 1 1645 . 17 1 1 A 130 130 LEU CA C 130 57.913 57.853 0.060 1 1 1646 . 17 1 1 A 130 130 LEU CB C 130 40.197 41.129 -0.932 1 1 1650 . 17 1 1 A 130 130 LEU N N 130 118.271 119.623 -1.352 1 1 1651 . 17 1 1 A 131 131 HIS H H 131 7.732 7.968 -0.236 1 1 1652 . 17 1 1 A 131 131 HIS HA H 131 3.918 4.165 -0.247 1 1 1657 . 17 1 1 A 131 131 HIS C C 131 178.392 177.695 0.697 1 1 1658 . 17 1 1 A 131 131 HIS CA C 131 61.019 59.242 1.777 1 1 1659 . 17 1 1 A 131 131 HIS CB C 131 29.951 29.944 0.007 1 1 1662 . 17 1 1 A 131 131 HIS N N 131 117.308 117.153 0.155 1 1 1663 . 17 1 1 A 132 132 GLU H H 132 8.030 8.408 -0.378 1 1 1664 . 17 1 1 A 132 132 GLU HA H 132 4.097 3.962 0.135 1 1 1669 . 17 1 1 A 132 132 GLU C C 132 179.907 179.314 0.593 1 1 1670 . 17 1 1 A 132 132 GLU CA C 132 59.660 59.338 0.322 1 1 1671 . 17 1 1 A 132 132 GLU CB C 132 29.627 29.404 0.223 1 1 1673 . 17 1 1 A 132 132 GLU N N 132 121.443 118.985 2.458 1 1 1674 . 17 1 1 A 133 133 VAL H H 133 8.250 9.188 -0.938 1 1 1675 . 17 1 1 A 133 133 VAL HA H 133 3.352 3.349 0.003 1 1 1683 . 17 1 1 A 133 133 VAL C C 133 176.575 178.049 -1.474 1 1 1684 . 17 1 1 A 133 133 VAL CA C 133 66.367 65.771 0.596 1 1 1685 . 17 1 1 A 133 133 VAL CB C 133 31.203 31.406 -0.203 1 1 1688 . 17 1 1 A 133 133 VAL N N 133 121.281 119.965 1.316 1 1 1689 . 17 1 1 A 134 134 LEU H H 134 8.259 9.006 -0.747 1 1 1690 . 17 1 1 A 134 134 LEU HA H 134 3.645 3.846 -0.201 1 1 1700 . 17 1 1 A 134 134 LEU C C 134 177.980 178.427 -0.447 1 1 1701 . 17 1 1 A 134 134 LEU CA C 134 58.154 58.564 -0.410 1 1 1702 . 17 1 1 A 134 134 LEU CB C 134 40.320 41.993 -1.673 1 1 1706 . 17 1 1 A 134 134 LEU N N 134 120.134 120.645 -0.511 1 1 1707 . 17 1 1 A 135 135 GLU H H 135 7.611 8.167 -0.556 1 1 1708 . 17 1 1 A 135 135 GLU HA H 135 3.972 3.953 0.019 1 1 1713 . 17 1 1 A 135 135 GLU C C 135 179.834 179.587 0.247 1 1 1714 . 17 1 1 A 135 135 GLU CA C 135 59.325 59.575 -0.250 1 1 1715 . 17 1 1 A 135 135 GLU CB C 135 29.134 29.342 -0.208 1 1 1717 . 17 1 1 A 135 135 GLU N N 135 116.026 117.772 -1.746 1 1 1718 . 17 1 1 A 136 136 ARG H H 136 7.789 8.134 -0.345 1 1 1719 . 17 1 1 A 136 136 ARG HA H 136 4.140 4.175 -0.035 1 1 1726 . 17 1 1 A 136 136 ARG C C 136 179.083 178.382 0.701 1 1 1727 . 17 1 1 A 136 136 ARG CA C 136 59.131 59.479 -0.348 1 1 1728 . 17 1 1 A 136 136 ARG CB C 136 30.368 29.937 0.431 1 1 1731 . 17 1 1 A 136 136 ARG N N 136 119.681 119.719 -0.038 1 1 1732 . 17 1 1 A 137 137 GLU H H 137 9.238 8.968 0.270 1 1 1733 . 17 1 1 A 137 137 GLU HA H 137 4.637 4.266 0.371 1 1 1738 . 17 1 1 A 137 137 GLU C C 137 178.817 178.696 0.121 1 1 1739 . 17 1 1 A 137 137 GLU CA C 137 58.036 59.069 -1.033 1 1 1740 . 17 1 1 A 137 137 GLU CB C 137 28.147 29.873 -1.726 1 1 1742 . 17 1 1 A 137 137 GLU N N 137 124.333 118.662 5.671 1 1 1743 . 17 1 1 A 138 138 LYS H H 138 8.788 8.147 0.641 1 1 1744 . 17 1 1 A 138 138 LYS HA H 138 3.899 4.071 -0.172 1 1 1753 . 17 1 1 A 138 138 LYS C C 138 179.944 179.527 0.417 1 1 1754 . 17 1 1 A 138 138 LYS CA C 138 60.754 59.671 1.083 1 1 1755 . 17 1 1 A 138 138 LYS CB C 138 32.789 32.274 0.515 1 1 1759 . 17 1 1 A 138 138 LYS N N 138 119.622 119.909 -0.287 1 1 1760 . 17 1 1 A 139 139 LYS H H 139 7.313 7.519 -0.206 1 1 1761 . 17 1 1 A 139 139 LYS HA H 139 4.070 4.075 -0.005 1 1 1770 . 17 1 1 A 139 139 LYS C C 139 178.235 179.902 -1.667 1 1 1771 . 17 1 1 A 139 139 LYS CA C 139 59.166 60.029 -0.863 1 1 1772 . 17 1 1 A 139 139 LYS CB C 139 32.424 32.337 0.087 1 1 1776 . 17 1 1 A 139 139 LYS N N 139 117.326 120.085 -2.759 1 1 1777 . 17 1 1 A 140 140 ARG H H 140 8.344 8.250 0.094 1 1 1778 . 17 1 1 A 140 140 ARG HA H 140 4.080 3.963 0.117 1 1 1786 . 17 1 1 A 140 140 ARG C C 140 179.531 179.075 0.456 1 1 1787 . 17 1 1 A 140 140 ARG CA C 140 59.184 60.094 -0.910 1 1 1788 . 17 1 1 A 140 140 ARG CB C 140 31.190 29.925 1.265 1 1 1791 . 17 1 1 A 140 140 ARG N N 140 121.404 119.225 2.179 1 1 1793 . 17 1 1 A 141 141 ARG H H 141 8.171 7.523 0.648 1 1 1794 . 17 1 1 A 141 141 ARG HA H 141 4.034 4.319 -0.285 1 1 1802 . 17 1 1 A 141 141 ARG C C 141 178.671 178.988 -0.317 1 1 1803 . 17 1 1 A 141 141 ARG CA C 141 58.337 59.017 -0.680 1 1 1804 . 17 1 1 A 141 141 ARG CB C 141 30.327 30.044 0.283 1 1 1807 . 17 1 1 A 141 141 ARG N N 141 115.667 119.387 -3.720 1 1 1809 . 17 1 1 A 142 142 ILE H H 142 7.521 8.542 -1.021 1 1 1810 . 17 1 1 A 142 142 ILE HA H 142 4.074 3.683 0.391 1 1 1820 . 17 1 1 A 142 142 ILE C C 142 177.787 177.852 -0.065 1 1 1821 . 17 1 1 A 142 142 ILE CA C 142 63.178 64.895 -1.717 1 1 1822 . 17 1 1 A 142 142 ILE CB C 142 38.346 37.900 0.446 1 1 1826 . 17 1 1 A 142 142 ILE N N 142 118.031 120.832 -2.801 1 1 1827 . 17 1 1 A 143 143 GLU H H 143 8.041 8.409 -0.368 1 1 1828 . 17 1 1 A 143 143 GLU HA H 143 4.251 4.040 0.211 1 1 1833 . 17 1 1 A 143 143 GLU C C 143 177.217 177.519 -0.302 1 1 1834 . 17 1 1 A 143 143 GLU CA C 143 57.595 59.562 -1.967 1 1 1835 . 17 1 1 A 143 143 GLU CB C 143 29.998 29.501 0.497 1 1 1837 . 17 1 1 A 143 143 GLU N N 143 120.963 120.439 0.524 1 1 1838 . 17 1 1 A 144 144 SER H H 144 8.041 7.838 0.203 1 1 1839 . 17 1 1 A 144 144 SER HA H 144 4.538 4.606 -0.068 1 1 1842 . 17 1 1 A 144 144 SER C C 144 174.721 173.583 1.138 1 1 1843 . 17 1 1 A 144 144 SER CA C 144 58.801 57.304 1.497 1 1 1844 . 17 1 1 A 144 144 SER CB C 144 64.126 62.857 1.269 1 1 1845 . 17 1 1 A 144 144 SER N N 144 114.646 113.779 0.867 1 1 1846 . 17 1 1 A 145 145 GLY H H 145 7.982 8.359 -0.377 1 1 1847 . 17 1 1 A 145 145 GLY HA2 H 145 4.102 4.159 -0.057 1 1 1848 . 17 1 1 A 145 145 GLY HA3 H 145 4.231 4.160 0.071 1 1 1849 . 17 1 1 A 145 145 GLY C C 145 171.800 170.776 1.024 1 1 1850 . 17 1 1 A 145 145 GLY CA C 145 44.854 45.276 -0.422 1 1 1851 . 17 1 1 A 145 145 GLY N N 145 110.299 114.134 -3.835 1 1 1852 . 17 1 1 A 146 146 PRO HA H 146 4.510 4.689 -0.179 1 1 1859 . 17 1 1 A 146 146 PRO C C 146 177.496 175.981 1.515 1 1 1860 . 17 1 1 A 146 146 PRO CA C 146 63.313 62.632 0.681 1 1 1861 . 17 1 1 A 146 146 PRO CB C 146 32.177 32.481 -0.304 1 1 1864 . 17 1 1 A 147 147 SER H H 147 8.530 8.500 0.030 1 1 1865 . 17 1 1 A 147 147 SER C C 147 174.721 174.035 0.686 1 1 1866 . 17 1 1 A 147 147 SER CA C 147 58.390 58.622 -0.232 1 1 1867 . 17 1 1 A 147 147 SER CB C 147 63.803 64.412 -0.609 1 1 1868 . 17 1 1 A 147 147 SER N N 147 116.436 118.519 -2.083 1 1 1869 . 17 1 1 A 148 148 SER H H 148 8.348 8.763 -0.415 1 1 1870 . 17 1 1 A 148 148 SER C C 148 173.957 175.337 -1.380 1 1 1871 . 17 1 1 A 148 148 SER CA C 148 58.372 59.693 -1.321 1 1 1872 . 17 1 1 A 148 148 SER CB C 148 64.008 65.422 -1.414 1 1 1 . 18 1 1 A 8 8 GLN HA H 8 4.221 4.616 -0.395 1 1 8 . 18 1 1 A 8 8 GLN CA C 8 56.851 55.508 1.343 1 1 9 . 18 1 1 A 8 8 GLN CB C 8 28.887 30.050 -1.163 1 1 12 . 18 1 1 A 9 9 GLU H H 9 8.480 9.015 -0.535 1 1 13 . 18 1 1 A 9 9 GLU HA H 9 4.166 3.873 0.293 1 1 18 . 18 1 1 A 9 9 GLU CA C 9 58.333 57.126 1.207 1 1 19 . 18 1 1 A 9 9 GLU CB C 9 29.545 28.131 1.414 1 1 21 . 18 1 1 A 9 9 GLU N N 9 121.149 125.997 -4.848 1 1 22 . 18 1 1 A 10 10 ARG H H 10 8.336 7.894 0.442 1 1 23 . 18 1 1 A 10 10 ARG HA H 10 4.131 4.377 -0.246 1 1 30 . 18 1 1 A 10 10 ARG C C 10 177.350 175.876 1.474 1 1 31 . 18 1 1 A 10 10 ARG CA C 10 57.731 56.268 1.463 1 1 32 . 18 1 1 A 10 10 ARG CB C 10 30.061 30.977 -0.916 1 1 35 . 18 1 1 A 10 10 ARG N N 10 120.177 119.787 0.390 1 1 36 . 18 1 1 A 11 11 LEU H H 11 7.741 8.156 -0.415 1 1 37 . 18 1 1 A 11 11 LEU HA H 11 4.219 4.198 0.021 1 1 44 . 18 1 1 A 11 11 LEU CA C 11 56.781 55.351 1.430 1 1 45 . 18 1 1 A 11 11 LEU CB C 11 41.875 42.600 -0.725 1 1 49 . 18 1 1 A 11 11 LEU N N 11 120.410 126.337 -5.927 1 1 50 . 18 1 1 A 12 12 LYS H H 12 7.816 8.469 -0.653 1 1 51 . 18 1 1 A 12 12 LYS HA H 12 4.091 4.591 -0.500 1 1 60 . 18 1 1 A 12 12 LYS CA C 12 58.234 55.644 2.590 1 1 61 . 18 1 1 A 12 12 LYS CB C 12 32.530 32.796 -0.266 1 1 65 . 18 1 1 A 12 12 LYS N N 12 119.365 122.426 -3.061 1 1 66 . 18 1 1 A 13 13 ILE H H 13 7.851 8.894 -1.043 1 1 67 . 18 1 1 A 13 13 ILE HA H 13 3.951 5.018 -1.067 1 1 77 . 18 1 1 A 13 13 ILE C C 13 176.914 175.136 1.778 1 1 78 . 18 1 1 A 13 13 ILE CA C 13 62.713 59.836 2.877 1 1 79 . 18 1 1 A 13 13 ILE CB C 13 38.264 40.184 -1.920 1 1 83 . 18 1 1 A 14 14 THR H H 14 7.750 8.714 -0.964 1 1 84 . 18 1 1 A 14 14 THR HA H 14 4.021 4.620 -0.599 1 1 88 . 18 1 1 A 14 14 THR C C 14 174.818 173.726 1.092 1 1 89 . 18 1 1 A 14 14 THR CA C 14 63.172 60.591 2.581 1 1 90 . 18 1 1 A 14 14 THR CB C 14 68.985 71.413 -2.428 1 1 92 . 18 1 1 A 14 14 THR N N 14 110.999 119.014 -8.015 1 1 93 . 18 1 1 A 15 15 ALA H H 15 7.922 8.717 -0.795 1 1 94 . 18 1 1 A 15 15 ALA HA H 15 4.141 3.853 0.288 1 1 98 . 18 1 1 A 15 15 ALA C C 15 177.593 176.237 1.356 1 1 99 . 18 1 1 A 15 15 ALA CA C 15 53.007 55.062 -2.055 1 1 100 . 18 1 1 A 15 15 ALA CB C 15 18.747 17.824 0.923 1 1 101 . 18 1 1 A 15 15 ALA N N 15 122.429 126.196 -3.767 1 1 102 . 18 1 1 A 16 16 LEU H H 16 7.442 7.836 -0.394 1 1 103 . 18 1 1 A 16 16 LEU HA H 16 4.653 4.630 0.023 1 1 112 . 18 1 1 A 16 16 LEU C C 16 173.182 174.746 -1.564 1 1 113 . 18 1 1 A 16 16 LEU CA C 16 51.524 51.389 0.135 1 1 114 . 18 1 1 A 16 16 LEU CB C 16 45.831 43.482 2.349 1 1 118 . 18 1 1 A 16 16 LEU N N 16 120.226 119.128 1.098 1 1 119 . 18 1 1 A 17 17 PRO HA H 17 4.140 4.697 -0.557 1 1 126 . 18 1 1 A 17 17 PRO C C 17 174.296 176.279 -1.983 1 1 127 . 18 1 1 A 17 17 PRO CA C 17 62.007 62.578 -0.571 1 1 128 . 18 1 1 A 17 17 PRO CB C 17 32.013 32.556 -0.543 1 1 131 . 18 1 1 A 18 18 LEU H H 18 8.071 8.302 -0.231 1 1 132 . 18 1 1 A 18 18 LEU HA H 18 4.097 4.118 -0.021 1 1 142 . 18 1 1 A 18 18 LEU C C 18 176.974 175.855 1.119 1 1 143 . 18 1 1 A 18 18 LEU CA C 18 55.043 55.383 -0.340 1 1 144 . 18 1 1 A 18 18 LEU CB C 18 42.376 42.520 -0.144 1 1 148 . 18 1 1 A 18 18 LEU N N 18 119.963 123.289 -3.326 1 1 149 . 18 1 1 A 19 19 TYR H H 19 9.108 8.709 0.399 1 1 150 . 18 1 1 A 19 19 TYR HA H 19 5.121 4.824 0.297 1 1 157 . 18 1 1 A 19 19 TYR C C 19 174.515 175.691 -1.176 1 1 158 . 18 1 1 A 19 19 TYR CA C 19 55.160 59.103 -3.943 1 1 159 . 18 1 1 A 19 19 TYR CB C 19 39.292 41.030 -1.738 1 1 164 . 18 1 1 A 19 19 TYR N N 19 127.955 122.562 5.393 1 1 165 . 18 1 1 A 20 20 PHE H H 20 7.560 7.100 0.460 1 1 166 . 18 1 1 A 20 20 PHE HA H 20 4.281 4.382 -0.101 1 1 174 . 18 1 1 A 20 20 PHE C C 20 171.170 172.935 -1.765 1 1 175 . 18 1 1 A 20 20 PHE CA C 20 57.031 57.533 -0.502 1 1 176 . 18 1 1 A 20 20 PHE CB C 20 40.937 41.141 -0.204 1 1 182 . 18 1 1 A 20 20 PHE N N 20 115.328 116.588 -1.260 1 1 183 . 18 1 1 A 21 21 GLU H H 21 5.556 7.822 -2.266 1 1 184 . 18 1 1 A 21 21 GLU HA H 21 5.191 4.772 0.419 1 1 189 . 18 1 1 A 21 21 GLU C C 21 173.024 174.048 -1.024 1 1 190 . 18 1 1 A 21 21 GLU CA C 21 53.025 54.035 -1.010 1 1 191 . 18 1 1 A 21 21 GLU CB C 21 31.760 32.835 -1.075 1 1 193 . 18 1 1 A 21 21 GLU N N 21 118.643 121.772 -3.129 1 1 194 . 18 1 1 A 22 22 GLY H H 22 7.721 7.599 0.122 1 1 195 . 18 1 1 A 22 22 GLY HA2 H 22 4.024 3.941 0.083 1 1 196 . 18 1 1 A 22 22 GLY HA3 H 22 3.107 4.041 -0.934 1 1 197 . 18 1 1 A 22 22 GLY C C 22 171.994 171.501 0.493 1 1 198 . 18 1 1 A 22 22 GLY CA C 22 45.013 45.397 -0.384 1 1 199 . 18 1 1 A 22 22 GLY N N 22 106.155 106.924 -0.769 1 1 200 . 18 1 1 A 23 23 PHE H H 23 8.881 8.963 -0.082 1 1 201 . 18 1 1 A 23 23 PHE HA H 23 5.303 4.751 0.552 1 1 209 . 18 1 1 A 23 23 PHE C C 23 176.926 175.118 1.808 1 1 210 . 18 1 1 A 23 23 PHE CA C 23 60.013 58.590 1.423 1 1 211 . 18 1 1 A 23 23 PHE CB C 23 40.937 38.558 2.379 1 1 217 . 18 1 1 A 23 23 PHE N N 23 119.442 120.453 -1.011 1 1 218 . 18 1 1 A 24 24 LEU H H 24 9.072 8.486 0.586 1 1 219 . 18 1 1 A 24 24 LEU HA H 24 4.562 4.982 -0.420 1 1 229 . 18 1 1 A 24 24 LEU C C 24 174.406 174.412 -0.006 1 1 230 . 18 1 1 A 24 24 LEU CA C 24 54.437 53.577 0.860 1 1 231 . 18 1 1 A 24 24 LEU CB C 24 48.381 44.679 3.702 1 1 235 . 18 1 1 A 24 24 LEU N N 24 122.488 126.104 -3.616 1 1 236 . 18 1 1 A 25 25 LEU H H 25 8.120 8.139 -0.019 1 1 237 . 18 1 1 A 25 25 LEU HA H 25 5.480 5.037 0.443 1 1 247 . 18 1 1 A 25 25 LEU C C 25 176.175 175.868 0.307 1 1 248 . 18 1 1 A 25 25 LEU CA C 25 54.242 53.322 0.920 1 1 249 . 18 1 1 A 25 25 LEU CB C 25 42.576 42.930 -0.354 1 1 253 . 18 1 1 A 25 25 LEU N N 25 120.790 125.772 -4.982 1 1 254 . 18 1 1 A 26 26 ILE H H 26 9.110 8.580 0.530 1 1 255 . 18 1 1 A 26 26 ILE HA H 26 5.232 4.793 0.439 1 1 265 . 18 1 1 A 26 26 ILE C C 26 174.757 175.000 -0.243 1 1 266 . 18 1 1 A 26 26 ILE CA C 26 57.613 59.417 -1.804 1 1 267 . 18 1 1 A 26 26 ILE CB C 26 41.343 40.224 1.119 1 1 271 . 18 1 1 A 26 26 ILE N N 26 120.679 124.786 -4.107 1 1 272 . 18 1 1 A 27 27 LYS H H 27 9.150 7.940 1.210 1 1 273 . 18 1 1 A 27 27 LYS HA H 27 4.425 4.042 0.383 1 1 282 . 18 1 1 A 27 27 LYS C C 27 175.557 175.281 0.276 1 1 283 . 18 1 1 A 27 27 LYS CA C 27 56.095 54.859 1.236 1 1 284 . 18 1 1 A 27 27 LYS CB C 27 35.056 31.675 3.381 1 1 288 . 18 1 1 A 27 27 LYS N N 27 127.778 126.428 1.350 1 1 289 . 18 1 1 A 28 28 ARG H H 28 5.868 7.787 -1.919 1 1 290 . 18 1 1 A 28 28 ARG HA H 28 4.429 4.455 -0.026 1 1 298 . 18 1 1 A 28 28 ARG C C 28 176.078 175.617 0.461 1 1 299 . 18 1 1 A 28 28 ARG CA C 28 54.542 55.763 -1.221 1 1 300 . 18 1 1 A 28 28 ARG CB C 28 31.602 32.122 -0.520 1 1 303 . 18 1 1 A 28 28 ARG N N 28 124.548 125.750 -1.202 1 1 305 . 18 1 1 A 29 29 SER H H 29 9.067 8.399 0.668 1 1 306 . 18 1 1 A 29 29 SER HA H 29 4.181 4.766 -0.585 1 1 309 . 18 1 1 A 29 29 SER C C 29 176.066 174.905 1.161 1 1 310 . 18 1 1 A 29 29 SER CA C 29 61.019 58.471 2.548 1 1 311 . 18 1 1 A 29 29 SER CB C 29 63.057 63.359 -0.302 1 1 312 . 18 1 1 A 29 29 SER N N 29 116.823 113.623 3.200 1 1 313 . 18 1 1 A 30 30 GLY HA2 H 30 3.810 4.023 -0.213 1 1 314 . 18 1 1 A 30 30 GLY HA3 H 30 4.172 4.062 0.110 1 1 315 . 18 1 1 A 30 30 GLY CA C 30 45.171 45.381 -0.210 1 1 316 . 18 1 1 A 31 31 TYR H H 31 8.001 8.257 -0.256 1 1 317 . 18 1 1 A 31 31 TYR HA H 31 4.729 4.633 0.096 1 1 324 . 18 1 1 A 31 31 TYR CB C 31 37.249 39.879 -2.630 1 1 329 . 18 1 1 A 31 31 TYR N N 31 121.120 118.589 2.531 1 1 330 . 18 1 1 A 32 32 ARG HA H 32 4.204 3.890 0.314 1 1 337 . 18 1 1 A 32 32 ARG C C 32 176.066 174.689 1.377 1 1 338 . 18 1 1 A 32 32 ARG CA C 32 57.631 58.548 -0.917 1 1 339 . 18 1 1 A 32 32 ARG CB C 32 30.861 28.334 2.527 1 1 342 . 18 1 1 A 33 33 GLU H H 33 7.700 8.949 -1.249 1 1 343 . 18 1 1 A 33 33 GLU HA H 33 4.600 4.716 -0.116 1 1 348 . 18 1 1 A 33 33 GLU C C 33 175.569 175.179 0.390 1 1 349 . 18 1 1 A 33 33 GLU CA C 33 53.695 54.946 -1.251 1 1 350 . 18 1 1 A 33 33 GLU CB C 33 33.000 32.307 0.693 1 1 352 . 18 1 1 A 33 33 GLU N N 33 115.988 117.817 -1.829 1 1 353 . 18 1 1 A 34 34 TYR H H 34 8.755 8.696 0.059 1 1 354 . 18 1 1 A 34 34 TYR HA H 34 4.311 4.642 -0.331 1 1 361 . 18 1 1 A 34 34 TYR C C 34 176.999 175.905 1.094 1 1 362 . 18 1 1 A 34 34 TYR CA C 34 59.537 59.607 -0.070 1 1 363 . 18 1 1 A 34 34 TYR CB C 34 39.744 39.277 0.467 1 1 368 . 18 1 1 A 34 34 TYR N N 34 118.663 123.241 -4.578 1 1 369 . 18 1 1 A 35 35 GLU H H 35 9.024 8.645 0.379 1 1 370 . 18 1 1 A 35 35 GLU HA H 35 4.401 4.775 -0.374 1 1 375 . 18 1 1 A 35 35 GLU C C 35 174.406 175.459 -1.053 1 1 376 . 18 1 1 A 35 35 GLU CA C 35 54.330 55.174 -0.844 1 1 377 . 18 1 1 A 35 35 GLU CB C 35 31.972 32.205 -0.233 1 1 379 . 18 1 1 A 35 35 GLU N N 35 122.488 122.801 -0.313 1 1 380 . 18 1 1 A 36 36 HIS H H 36 8.639 8.804 -0.165 1 1 381 . 18 1 1 A 36 36 HIS HA H 36 4.980 4.674 0.306 1 1 386 . 18 1 1 A 36 36 HIS C C 36 174.127 173.698 0.429 1 1 387 . 18 1 1 A 36 36 HIS CA C 36 55.607 56.894 -1.287 1 1 388 . 18 1 1 A 36 36 HIS CB C 36 31.396 30.008 1.388 1 1 391 . 18 1 1 A 36 36 HIS N N 36 123.767 124.684 -0.917 1 1 392 . 18 1 1 A 37 37 TYR H H 37 8.931 8.434 0.497 1 1 393 . 18 1 1 A 37 37 TYR HA H 37 5.668 4.823 0.845 1 1 400 . 18 1 1 A 37 37 TYR C C 37 177.969 174.565 3.404 1 1 401 . 18 1 1 A 37 37 TYR CA C 37 55.407 56.953 -1.546 1 1 402 . 18 1 1 A 37 37 TYR CB C 37 42.089 42.479 -0.390 1 1 407 . 18 1 1 A 37 37 TYR N N 37 124.075 124.909 -0.834 1 1 408 . 18 1 1 A 38 38 TRP H H 38 8.931 9.300 -0.369 1 1 409 . 18 1 1 A 38 38 TRP HA H 38 4.329 4.746 -0.417 1 1 418 . 18 1 1 A 38 38 TRP C C 38 174.345 175.145 -0.800 1 1 419 . 18 1 1 A 38 38 TRP CA C 38 58.230 56.133 2.097 1 1 420 . 18 1 1 A 38 38 TRP CB C 38 28.846 29.110 -0.264 1 1 426 . 18 1 1 A 38 38 TRP N N 38 125.317 126.298 -0.981 1 1 428 . 18 1 1 A 39 39 THR H H 39 8.366 8.805 -0.439 1 1 429 . 18 1 1 A 39 39 THR HA H 39 5.535 5.023 0.512 1 1 434 . 18 1 1 A 39 39 THR C C 39 173.303 173.891 -0.588 1 1 435 . 18 1 1 A 39 39 THR CA C 39 62.037 63.306 -1.269 1 1 436 . 18 1 1 A 39 39 THR CB C 39 70.295 69.328 0.967 1 1 438 . 18 1 1 A 39 39 THR N N 39 127.024 122.466 4.558 1 1 439 . 18 1 1 A 40 40 GLU H H 40 8.902 10.194 -1.292 1 1 440 . 18 1 1 A 40 40 GLU HA H 40 4.816 4.644 0.172 1 1 445 . 18 1 1 A 40 40 GLU C C 40 175.351 174.803 0.548 1 1 446 . 18 1 1 A 40 40 GLU CA C 40 53.607 54.747 -1.140 1 1 447 . 18 1 1 A 40 40 GLU CB C 40 34.639 33.113 1.526 1 1 449 . 18 1 1 A 40 40 GLU N N 40 120.613 126.417 -5.804 1 1 450 . 18 1 1 A 41 41 LEU H H 41 8.910 8.977 -0.067 1 1 451 . 18 1 1 A 41 41 LEU HA H 41 5.168 5.127 0.041 1 1 461 . 18 1 1 A 41 41 LEU C C 41 174.806 175.234 -0.428 1 1 462 . 18 1 1 A 41 41 LEU CA C 41 53.872 54.593 -0.721 1 1 463 . 18 1 1 A 41 41 LEU CB C 41 43.610 43.587 0.023 1 1 467 . 18 1 1 A 41 41 LEU N N 41 123.682 127.494 -3.812 1 1 468 . 18 1 1 A 42 42 ARG H H 42 9.150 8.457 0.693 1 1 469 . 18 1 1 A 42 42 ARG HA H 42 5.182 4.311 0.871 1 1 474 . 18 1 1 A 42 42 ARG C C 42 176.272 176.472 -0.200 1 1 475 . 18 1 1 A 42 42 ARG CA C 42 53.643 54.825 -1.182 1 1 476 . 18 1 1 A 42 42 ARG CB C 42 33.205 33.572 -0.367 1 1 479 . 18 1 1 A 42 42 ARG N N 42 127.645 124.624 3.021 1 1 480 . 18 1 1 A 43 43 GLY H H 43 6.304 8.645 -2.341 1 1 481 . 18 1 1 A 43 43 GLY HA2 H 43 3.917 3.815 0.102 1 1 482 . 18 1 1 A 43 43 GLY HA3 H 43 3.812 4.006 -0.194 1 1 483 . 18 1 1 A 43 43 GLY C C 43 171.630 174.539 -2.909 1 1 484 . 18 1 1 A 43 43 GLY CA C 43 47.025 47.286 -0.261 1 1 485 . 18 1 1 A 43 43 GLY N N 43 112.565 113.320 -0.755 1 1 486 . 18 1 1 A 44 44 THR H H 44 7.841 8.848 -1.007 1 1 487 . 18 1 1 A 44 44 THR HA H 44 4.313 4.152 0.161 1 1 492 . 18 1 1 A 44 44 THR C C 44 172.515 173.518 -1.003 1 1 493 . 18 1 1 A 44 44 THR CA C 44 60.207 62.978 -2.771 1 1 494 . 18 1 1 A 44 44 THR CB C 44 68.320 66.700 1.620 1 1 496 . 18 1 1 A 44 44 THR N N 44 111.769 110.574 1.195 1 1 497 . 18 1 1 A 45 45 THR H H 45 8.500 7.706 0.794 1 1 498 . 18 1 1 A 45 45 THR HA H 45 4.664 4.701 -0.037 1 1 503 . 18 1 1 A 45 45 THR C C 45 172.224 172.837 -0.613 1 1 504 . 18 1 1 A 45 45 THR CA C 45 62.413 61.508 0.905 1 1 505 . 18 1 1 A 45 45 THR CB C 45 69.848 70.663 -0.815 1 1 507 . 18 1 1 A 45 45 THR N N 45 118.681 115.685 2.996 1 1 508 . 18 1 1 A 46 46 LEU H H 46 8.391 8.395 -0.004 1 1 509 . 18 1 1 A 46 46 LEU HA H 46 4.892 4.571 0.321 1 1 519 . 18 1 1 A 46 46 LEU C C 46 174.260 175.610 -1.350 1 1 520 . 18 1 1 A 46 46 LEU CA C 46 52.654 54.834 -2.180 1 1 521 . 18 1 1 A 46 46 LEU CB C 46 42.911 40.956 1.955 1 1 525 . 18 1 1 A 46 46 LEU N N 46 125.559 128.115 -2.556 1 1 526 . 18 1 1 A 47 47 PHE H H 47 9.131 9.622 -0.491 1 1 527 . 18 1 1 A 47 47 PHE HA H 47 3.940 4.527 -0.587 1 1 535 . 18 1 1 A 47 47 PHE C C 47 173.363 174.509 -1.146 1 1 536 . 18 1 1 A 47 47 PHE CA C 47 57.454 55.943 1.511 1 1 537 . 18 1 1 A 47 47 PHE CB C 47 42.747 40.057 2.690 1 1 543 . 18 1 1 A 47 47 PHE N N 47 121.095 124.240 -3.145 1 1 544 . 18 1 1 A 48 48 PHE H H 48 7.881 9.303 -1.422 1 1 545 . 18 1 1 A 48 48 PHE HA H 48 5.021 5.330 -0.309 1 1 553 . 18 1 1 A 48 48 PHE C C 48 173.727 174.768 -1.041 1 1 554 . 18 1 1 A 48 48 PHE CA C 48 56.166 55.400 0.766 1 1 555 . 18 1 1 A 48 48 PHE CB C 48 39.169 40.635 -1.466 1 1 561 . 18 1 1 A 48 48 PHE N N 48 120.063 122.805 -2.742 1 1 562 . 18 1 1 A 49 49 TYR H H 49 9.972 9.181 0.791 1 1 563 . 18 1 1 A 49 49 TYR HA H 49 5.190 5.216 -0.026 1 1 570 . 18 1 1 A 49 49 TYR C C 49 176.587 176.534 0.053 1 1 571 . 18 1 1 A 49 49 TYR CA C 49 56.254 57.013 -0.759 1 1 572 . 18 1 1 A 49 49 TYR CB C 49 41.842 43.312 -1.470 1 1 577 . 18 1 1 A 49 49 TYR N N 49 121.415 121.231 0.184 1 1 578 . 18 1 1 A 50 50 THR H H 50 9.511 8.986 0.525 1 1 579 . 18 1 1 A 50 50 THR HA H 50 4.571 4.403 0.168 1 1 584 . 18 1 1 A 50 50 THR C C 50 174.793 175.068 -0.275 1 1 585 . 18 1 1 A 50 50 THR CA C 50 65.361 65.049 0.312 1 1 586 . 18 1 1 A 50 50 THR CB C 50 69.043 69.248 -0.205 1 1 588 . 18 1 1 A 50 50 THR N N 50 114.446 116.482 -2.036 1 1 589 . 18 1 1 A 51 51 ASP H H 51 7.828 8.567 -0.739 1 1 590 . 18 1 1 A 51 51 ASP HA H 51 4.803 5.129 -0.326 1 1 593 . 18 1 1 A 51 51 ASP C C 51 174.685 176.247 -1.562 1 1 594 . 18 1 1 A 51 51 ASP CA C 51 53.254 55.193 -1.939 1 1 595 . 18 1 1 A 51 51 ASP CB C 51 43.586 43.219 0.367 1 1 596 . 18 1 1 A 51 51 ASP N N 51 115.656 120.638 -4.982 1 1 597 . 18 1 1 A 52 52 LYS H H 52 8.271 7.835 0.436 1 1 598 . 18 1 1 A 52 52 LYS HA H 52 2.800 4.429 -1.629 1 1 607 . 18 1 1 A 52 52 LYS C C 52 176.671 177.793 -1.122 1 1 608 . 18 1 1 A 52 52 LYS CA C 52 58.372 57.548 0.824 1 1 609 . 18 1 1 A 52 52 LYS CB C 52 32.178 34.168 -1.990 1 1 613 . 18 1 1 A 52 52 LYS N N 52 119.009 115.377 3.632 1 1 614 . 18 1 1 A 53 53 LYS H H 53 8.068 8.604 -0.536 1 1 615 . 18 1 1 A 53 53 LYS HA H 53 4.109 3.958 0.151 1 1 624 . 18 1 1 A 53 53 LYS C C 53 176.950 177.331 -0.381 1 1 625 . 18 1 1 A 53 53 LYS CA C 53 55.830 59.647 -3.817 1 1 626 . 18 1 1 A 53 53 LYS CB C 53 32.301 32.177 0.124 1 1 630 . 18 1 1 A 53 53 LYS N N 53 116.395 120.882 -4.487 1 1 631 . 18 1 1 A 54 54 SER H H 54 7.549 7.670 -0.121 1 1 632 . 18 1 1 A 54 54 SER HA H 54 4.316 4.380 -0.064 1 1 635 . 18 1 1 A 54 54 SER C C 54 174.394 175.009 -0.615 1 1 636 . 18 1 1 A 54 54 SER CA C 54 59.395 58.870 0.525 1 1 637 . 18 1 1 A 54 54 SER CB C 54 64.337 64.197 0.140 1 1 638 . 18 1 1 A 54 54 SER N N 54 116.653 113.954 2.699 1 1 639 . 18 1 1 A 55 55 ILE H H 55 8.424 8.811 -0.387 1 1 640 . 18 1 1 A 55 55 ILE HA H 55 4.267 4.243 0.024 1 1 650 . 18 1 1 A 55 55 ILE C C 55 174.999 176.599 -1.600 1 1 651 . 18 1 1 A 55 55 ILE CA C 55 62.213 63.994 -1.781 1 1 652 . 18 1 1 A 55 55 ILE CB C 55 38.728 38.866 -0.138 1 1 656 . 18 1 1 A 55 55 ILE N N 55 118.660 128.381 -9.721 1 1 657 . 18 1 1 A 56 56 ILE H H 56 7.771 7.928 -0.157 1 1 658 . 18 1 1 A 56 56 ILE HA H 56 4.561 4.125 0.436 1 1 668 . 18 1 1 A 56 56 ILE C C 56 175.266 175.141 0.125 1 1 669 . 18 1 1 A 56 56 ILE CA C 56 59.342 60.705 -1.363 1 1 670 . 18 1 1 A 56 56 ILE CB C 56 39.506 36.962 2.544 1 1 674 . 18 1 1 A 56 56 ILE N N 56 119.568 121.656 -2.088 1 1 675 . 18 1 1 A 57 57 TYR H H 57 7.251 8.857 -1.606 1 1 676 . 18 1 1 A 57 57 TYR HA H 57 4.261 4.056 0.205 1 1 683 . 18 1 1 A 57 57 TYR C C 57 174.902 176.645 -1.743 1 1 684 . 18 1 1 A 57 57 TYR CA C 57 56.201 57.751 -1.550 1 1 685 . 18 1 1 A 57 57 TYR CB C 57 37.230 38.519 -1.289 1 1 690 . 18 1 1 A 58 58 VAL H H 58 9.157 8.036 1.121 1 1 691 . 18 1 1 A 58 58 VAL HA H 58 4.251 3.923 0.328 1 1 699 . 18 1 1 A 58 58 VAL C C 58 175.812 175.151 0.661 1 1 700 . 18 1 1 A 58 58 VAL CA C 58 62.360 64.649 -2.289 1 1 701 . 18 1 1 A 58 58 VAL CB C 58 33.123 32.403 0.720 1 1 704 . 18 1 1 A 58 58 VAL N N 58 116.888 120.387 -3.499 1 1 705 . 18 1 1 A 59 59 ASP H H 59 7.990 7.528 0.462 1 1 706 . 18 1 1 A 59 59 ASP HA H 59 4.970 5.168 -0.198 1 1 709 . 18 1 1 A 59 59 ASP C C 59 172.346 173.750 -1.404 1 1 710 . 18 1 1 A 59 59 ASP CA C 59 52.601 53.700 -1.099 1 1 711 . 18 1 1 A 59 59 ASP CB C 59 42.952 44.301 -1.349 1 1 712 . 18 1 1 A 59 59 ASP N N 59 117.301 118.918 -1.617 1 1 713 . 18 1 1 A 60 60 LYS H H 60 8.991 8.690 0.301 1 1 714 . 18 1 1 A 60 60 LYS HA H 60 4.761 4.515 0.246 1 1 723 . 18 1 1 A 60 60 LYS C C 60 173.666 174.397 -0.731 1 1 724 . 18 1 1 A 60 60 LYS CA C 60 54.718 53.724 0.994 1 1 725 . 18 1 1 A 60 60 LYS CB C 60 35.097 35.774 -0.677 1 1 729 . 18 1 1 A 60 60 LYS N N 60 118.648 117.721 0.927 1 1 730 . 18 1 1 A 61 61 LEU H H 61 8.702 8.829 -0.127 1 1 731 . 18 1 1 A 61 61 LEU HA H 61 4.462 4.982 -0.520 1 1 741 . 18 1 1 A 61 61 LEU C C 61 173.630 175.051 -1.421 1 1 742 . 18 1 1 A 61 61 LEU CA C 61 54.065 53.240 0.825 1 1 743 . 18 1 1 A 61 61 LEU CB C 61 47.032 46.242 0.790 1 1 747 . 18 1 1 A 61 61 LEU N N 61 121.890 121.119 0.771 1 1 748 . 18 1 1 A 62 62 ASP H H 62 8.868 8.771 0.097 1 1 749 . 18 1 1 A 62 62 ASP HA H 62 4.841 5.191 -0.350 1 1 752 . 18 1 1 A 62 62 ASP C C 62 178.029 174.807 3.222 1 1 753 . 18 1 1 A 62 62 ASP CA C 62 53.819 52.670 1.149 1 1 754 . 18 1 1 A 62 62 ASP CB C 62 40.772 44.241 -3.469 1 1 755 . 18 1 1 A 62 62 ASP N N 62 128.697 120.493 8.204 1 1 756 . 18 1 1 A 63 63 ILE H H 63 9.261 8.435 0.826 1 1 757 . 18 1 1 A 63 63 ILE HA H 63 4.554 4.551 0.003 1 1 767 . 18 1 1 A 63 63 ILE C C 63 175.617 176.359 -0.742 1 1 768 . 18 1 1 A 63 63 ILE CA C 63 60.736 59.626 1.110 1 1 769 . 18 1 1 A 63 63 ILE CB C 63 38.364 37.736 0.628 1 1 773 . 18 1 1 A 63 63 ILE N N 63 120.253 120.517 -0.264 1 1 774 . 18 1 1 A 64 64 VAL H H 64 8.010 7.989 0.021 1 1 775 . 18 1 1 A 64 64 VAL HA H 64 3.781 4.294 -0.513 1 1 783 . 18 1 1 A 64 64 VAL C C 64 174.878 177.331 -2.453 1 1 784 . 18 1 1 A 64 64 VAL CA C 64 65.572 63.707 1.865 1 1 785 . 18 1 1 A 64 64 VAL CB C 64 30.532 32.850 -2.318 1 1 788 . 18 1 1 A 64 64 VAL N N 64 122.413 122.310 0.103 1 1 789 . 18 1 1 A 65 65 ASP H H 65 8.391 7.628 0.763 1 1 790 . 18 1 1 A 65 65 ASP HA H 65 4.841 4.715 0.126 1 1 793 . 18 1 1 A 65 65 ASP C C 65 174.854 176.001 -1.147 1 1 794 . 18 1 1 A 65 65 ASP CA C 65 53.483 53.536 -0.053 1 1 795 . 18 1 1 A 65 65 ASP CB C 65 40.114 41.216 -1.102 1 1 796 . 18 1 1 A 65 65 ASP N N 65 119.308 119.684 -0.376 1 1 797 . 18 1 1 A 66 66 LEU H H 66 7.517 7.284 0.233 1 1 798 . 18 1 1 A 66 66 LEU HA H 66 3.962 4.225 -0.263 1 1 808 . 18 1 1 A 66 66 LEU C C 66 176.708 177.676 -0.968 1 1 809 . 18 1 1 A 66 66 LEU CA C 66 57.471 56.451 1.020 1 1 810 . 18 1 1 A 66 66 LEU CB C 66 43.322 42.806 0.516 1 1 814 . 18 1 1 A 66 66 LEU N N 66 120.009 123.334 -3.325 1 1 815 . 18 1 1 A 67 67 THR H H 67 9.329 10.403 -1.074 1 1 816 . 18 1 1 A 67 67 THR HA H 67 4.363 4.352 0.011 1 1 821 . 18 1 1 A 67 67 THR C C 67 175.145 174.090 1.055 1 1 822 . 18 1 1 A 67 67 THR CA C 67 64.019 63.547 0.472 1 1 823 . 18 1 1 A 67 67 THR CB C 67 69.107 69.088 0.019 1 1 825 . 18 1 1 A 67 67 THR N N 67 123.534 120.868 2.666 1 1 826 . 18 1 1 A 68 68 CYS H H 68 7.584 7.003 0.581 1 1 827 . 18 1 1 A 68 68 CYS HA H 68 4.604 4.707 -0.103 1 1 830 . 18 1 1 A 68 68 CYS C C 68 170.528 172.308 -1.780 1 1 831 . 18 1 1 A 68 68 CYS CA C 68 57.402 58.463 -1.061 1 1 832 . 18 1 1 A 68 68 CYS CB C 68 29.175 31.183 -2.008 1 1 833 . 18 1 1 A 68 68 CYS N N 68 115.015 116.130 -1.115 1 1 834 . 18 1 1 A 69 69 LEU H H 69 8.730 8.644 0.086 1 1 835 . 18 1 1 A 69 69 LEU HA H 69 5.411 5.008 0.403 1 1 845 . 18 1 1 A 69 69 LEU C C 69 176.356 175.636 0.720 1 1 846 . 18 1 1 A 69 69 LEU CA C 69 54.242 54.378 -0.136 1 1 847 . 18 1 1 A 69 69 LEU CB C 69 44.885 45.535 -0.650 1 1 851 . 18 1 1 A 69 69 LEU N N 69 125.633 122.382 3.251 1 1 852 . 18 1 1 A 70 70 THR H H 70 9.197 8.634 0.563 1 1 853 . 18 1 1 A 70 70 THR HA H 70 4.702 5.176 -0.474 1 1 858 . 18 1 1 A 70 70 THR C C 70 173.582 173.897 -0.315 1 1 859 . 18 1 1 A 70 70 THR CA C 70 60.384 59.880 0.504 1 1 860 . 18 1 1 A 70 70 THR CB C 70 70.870 71.561 -0.691 1 1 862 . 18 1 1 A 70 70 THR N N 70 120.391 117.968 2.423 1 1 863 . 18 1 1 A 71 71 GLU H H 71 8.965 8.783 0.182 1 1 864 . 18 1 1 A 71 71 GLU HA H 71 4.685 5.287 -0.602 1 1 869 . 18 1 1 A 71 71 GLU C C 71 175.957 175.369 0.588 1 1 870 . 18 1 1 A 71 71 GLU CA C 71 56.254 54.447 1.807 1 1 871 . 18 1 1 A 71 71 GLU CB C 71 31.396 33.633 -2.237 1 1 873 . 18 1 1 A 71 71 GLU N N 71 124.718 119.730 4.988 1 1 874 . 18 1 1 A 72 72 GLN H H 72 8.318 8.572 -0.254 1 1 875 . 18 1 1 A 72 72 GLN HA H 72 4.629 4.675 -0.046 1 1 882 . 18 1 1 A 72 72 GLN C C 72 175.254 175.416 -0.162 1 1 883 . 18 1 1 A 72 72 GLN CA C 72 55.336 54.805 0.531 1 1 884 . 18 1 1 A 72 72 GLN CB C 72 30.533 30.768 -0.235 1 1 886 . 18 1 1 A 72 72 GLN N N 72 123.543 121.981 1.562 1 1 888 . 18 1 1 A 73 73 ASN H H 73 8.670 8.793 -0.123 1 1 889 . 18 1 1 A 73 73 ASN HA H 73 4.688 4.660 0.028 1 1 894 . 18 1 1 A 73 73 ASN C C 73 175.229 174.922 0.307 1 1 895 . 18 1 1 A 73 73 ASN CA C 73 53.607 54.050 -0.443 1 1 896 . 18 1 1 A 73 73 ASN CB C 73 39.169 38.634 0.535 1 1 897 . 18 1 1 A 73 73 ASN N N 73 120.534 122.924 -2.390 1 1 899 . 18 1 1 A 74 74 SER H H 74 8.641 8.729 -0.088 1 1 900 . 18 1 1 A 74 74 SER HA H 74 4.652 4.721 -0.069 1 1 903 . 18 1 1 A 74 74 SER C C 74 175.121 174.772 0.349 1 1 904 . 18 1 1 A 74 74 SER CA C 74 58.409 59.378 -0.969 1 1 905 . 18 1 1 A 74 74 SER CB C 74 64.401 66.030 -1.629 1 1 906 . 18 1 1 A 74 74 SER N N 74 117.448 116.893 0.555 1 1 907 . 18 1 1 A 75 75 THR HA H 75 4.282 4.473 -0.191 1 1 912 . 18 1 1 A 75 75 THR C C 75 174.878 174.122 0.756 1 1 913 . 18 1 1 A 75 75 THR CA C 75 62.819 63.352 -0.533 1 1 914 . 18 1 1 A 75 75 THR CB C 75 69.061 67.739 1.322 1 1 916 . 18 1 1 A 76 76 GLU H H 76 8.156 8.780 -0.624 1 1 917 . 18 1 1 A 76 76 GLU HA H 76 4.350 4.297 0.053 1 1 922 . 18 1 1 A 76 76 GLU C C 76 176.138 175.660 0.478 1 1 923 . 18 1 1 A 76 76 GLU CA C 76 56.202 58.713 -2.511 1 1 924 . 18 1 1 A 76 76 GLU CB C 76 30.532 28.752 1.780 1 1 926 . 18 1 1 A 76 76 GLU N N 76 122.220 120.563 1.657 1 1 927 . 18 1 1 A 77 77 LYS H H 77 8.443 8.510 -0.067 1 1 928 . 18 1 1 A 77 77 LYS HA H 77 4.221 4.146 0.075 1 1 937 . 18 1 1 A 77 77 LYS C C 77 176.465 176.588 -0.123 1 1 938 . 18 1 1 A 77 77 LYS CA C 77 56.730 57.535 -0.805 1 1 939 . 18 1 1 A 77 77 LYS CB C 77 32.301 32.697 -0.396 1 1 943 . 18 1 1 A 77 77 LYS N N 77 122.162 123.263 -1.101 1 1 944 . 18 1 1 A 78 78 ASN H H 78 8.621 8.865 -0.244 1 1 945 . 18 1 1 A 78 78 ASN HA H 78 4.641 5.211 -0.570 1 1 950 . 18 1 1 A 78 78 ASN C C 78 173.485 174.021 -0.536 1 1 951 . 18 1 1 A 78 78 ASN CA C 78 53.748 52.165 1.583 1 1 952 . 18 1 1 A 78 78 ASN CB C 78 38.058 41.459 -3.401 1 1 953 . 18 1 1 A 78 78 ASN N N 78 116.583 120.251 -3.668 1 1 955 . 18 1 1 A 79 79 CYS H H 79 7.551 8.411 -0.860 1 1 956 . 18 1 1 A 79 79 CYS HA H 79 4.371 4.330 0.041 1 1 959 . 18 1 1 A 79 79 CYS C C 79 172.515 174.226 -1.711 1 1 960 . 18 1 1 A 79 79 CYS CA C 79 57.295 59.662 -2.367 1 1 961 . 18 1 1 A 79 79 CYS CB C 79 29.628 28.476 1.152 1 1 962 . 18 1 1 A 79 79 CYS N N 79 112.640 119.143 -6.503 1 1 963 . 18 1 1 A 80 80 ALA H H 80 7.642 8.558 -0.916 1 1 964 . 18 1 1 A 80 80 ALA HA H 80 4.727 4.944 -0.217 1 1 968 . 18 1 1 A 80 80 ALA C C 80 175.314 176.007 -0.693 1 1 969 . 18 1 1 A 80 80 ALA CA C 80 51.330 50.699 0.631 1 1 970 . 18 1 1 A 80 80 ALA CB C 80 21.896 20.468 1.428 1 1 971 . 18 1 1 A 80 80 ALA N N 80 124.099 125.083 -0.984 1 1 972 . 18 1 1 A 81 81 LYS H H 81 8.459 8.676 -0.217 1 1 973 . 18 1 1 A 81 81 LYS HA H 81 5.112 4.708 0.404 1 1 982 . 18 1 1 A 81 81 LYS C C 81 174.781 175.078 -0.297 1 1 983 . 18 1 1 A 81 81 LYS CA C 81 55.283 54.574 0.709 1 1 984 . 18 1 1 A 81 81 LYS CB C 81 36.133 34.512 1.621 1 1 988 . 18 1 1 A 81 81 LYS N N 81 119.796 123.602 -3.806 1 1 989 . 18 1 1 A 82 82 PHE H H 82 8.748 7.875 0.873 1 1 990 . 18 1 1 A 82 82 PHE HA H 82 5.513 5.444 0.069 1 1 998 . 18 1 1 A 82 82 PHE C C 82 174.357 172.662 1.695 1 1 999 . 18 1 1 A 82 82 PHE CA C 82 55.643 56.181 -0.538 1 1 1000 . 18 1 1 A 82 82 PHE CB C 82 42.089 42.247 -0.158 1 1 1006 . 18 1 1 A 82 82 PHE N N 82 119.073 119.928 -0.855 1 1 1007 . 18 1 1 A 83 83 THR H H 83 9.290 8.448 0.842 1 1 1008 . 18 1 1 A 83 83 THR HA H 83 5.032 5.032 0.000 1 1 1013 . 18 1 1 A 83 83 THR C C 83 173.472 174.033 -0.561 1 1 1014 . 18 1 1 A 83 83 THR CA C 83 62.113 61.416 0.697 1 1 1015 . 18 1 1 A 83 83 THR CB C 83 71.076 70.614 0.462 1 1 1017 . 18 1 1 A 83 83 THR N N 83 116.845 116.159 0.686 1 1 1018 . 18 1 1 A 84 84 LEU H H 84 9.502 9.363 0.139 1 1 1019 . 18 1 1 A 84 84 LEU HA H 84 4.691 4.833 -0.142 1 1 1029 . 18 1 1 A 84 84 LEU C C 84 174.308 176.108 -1.800 1 1 1030 . 18 1 1 A 84 84 LEU CA C 84 54.224 53.859 0.365 1 1 1031 . 18 1 1 A 84 84 LEU CB C 84 41.636 41.573 0.063 1 1 1035 . 18 1 1 A 84 84 LEU N N 84 125.923 128.022 -2.099 1 1 1036 . 18 1 1 A 85 85 VAL H H 85 8.620 8.328 0.292 1 1 1037 . 18 1 1 A 85 85 VAL HA H 85 4.151 4.316 -0.165 1 1 1045 . 18 1 1 A 85 85 VAL C C 85 174.188 175.414 -1.226 1 1 1046 . 18 1 1 A 85 85 VAL CA C 85 63.649 62.646 1.003 1 1 1047 . 18 1 1 A 85 85 VAL CB C 85 30.861 31.532 -0.671 1 1 1050 . 18 1 1 A 85 85 VAL N N 85 126.007 125.388 0.619 1 1 1051 . 18 1 1 A 86 86 LEU H H 86 8.534 8.687 -0.153 1 1 1052 . 18 1 1 A 86 86 LEU HA H 86 4.853 4.812 0.041 1 1 1062 . 18 1 1 A 86 86 LEU C C 86 174.878 176.684 -1.806 1 1 1063 . 18 1 1 A 86 86 LEU CA C 86 53.183 51.793 1.390 1 1 1064 . 18 1 1 A 86 86 LEU CB C 86 40.485 44.632 -4.147 1 1 1068 . 18 1 1 A 86 86 LEU N N 86 129.551 128.345 1.206 1 1 1069 . 18 1 1 A 87 87 PRO HA H 87 4.221 4.563 -0.342 1 1 1076 . 18 1 1 A 87 87 PRO C C 87 178.223 177.082 1.141 1 1 1077 . 18 1 1 A 87 87 PRO CA C 87 66.455 64.141 2.314 1 1 1078 . 18 1 1 A 87 87 PRO CB C 87 32.260 31.763 0.497 1 1 1081 . 18 1 1 A 88 88 LYS H H 88 8.414 8.187 0.227 1 1 1082 . 18 1 1 A 88 88 LYS HA H 88 4.548 4.379 0.169 1 1 1091 . 18 1 1 A 88 88 LYS C C 88 176.187 176.549 -0.362 1 1 1092 . 18 1 1 A 88 88 LYS CA C 88 55.071 57.008 -1.937 1 1 1093 . 18 1 1 A 88 88 LYS CB C 88 33.534 34.143 -0.609 1 1 1097 . 18 1 1 A 88 88 LYS N N 88 110.404 116.705 -6.301 1 1 1098 . 18 1 1 A 89 89 GLU H H 89 7.208 7.798 -0.590 1 1 1099 . 18 1 1 A 89 89 GLU HA H 89 4.561 4.776 -0.215 1 1 1104 . 18 1 1 A 89 89 GLU C C 89 172.527 174.043 -1.516 1 1 1105 . 18 1 1 A 89 89 GLU CA C 89 56.007 55.435 0.572 1 1 1106 . 18 1 1 A 89 89 GLU CB C 89 33.082 33.505 -0.423 1 1 1108 . 18 1 1 A 89 89 GLU N N 89 116.828 115.529 1.299 1 1 1109 . 18 1 1 A 90 90 GLU H H 90 8.321 8.559 -0.238 1 1 1110 . 18 1 1 A 90 90 GLU HA H 90 5.249 5.051 0.198 1 1 1115 . 18 1 1 A 90 90 GLU C C 90 176.296 175.961 0.335 1 1 1116 . 18 1 1 A 90 90 GLU CA C 90 54.860 55.739 -0.879 1 1 1117 . 18 1 1 A 90 90 GLU CB C 90 31.972 31.102 0.870 1 1 1119 . 18 1 1 A 90 90 GLU N N 90 119.609 123.267 -3.658 1 1 1120 . 18 1 1 A 91 91 VAL H H 91 8.972 8.970 0.002 1 1 1121 . 18 1 1 A 91 91 VAL HA H 91 4.352 4.913 -0.561 1 1 1129 . 18 1 1 A 91 91 VAL C C 91 174.284 174.793 -0.509 1 1 1130 . 18 1 1 A 91 91 VAL CA C 91 61.284 60.920 0.364 1 1 1131 . 18 1 1 A 91 91 VAL CB C 91 34.891 35.105 -0.214 1 1 1134 . 18 1 1 A 91 91 VAL N N 91 123.947 124.470 -0.523 1 1 1135 . 18 1 1 A 92 92 GLN H H 92 8.241 8.547 -0.306 1 1 1136 . 18 1 1 A 92 92 GLN HA H 92 4.930 5.069 -0.139 1 1 1143 . 18 1 1 A 92 92 GLN C C 92 174.115 175.093 -0.978 1 1 1144 . 18 1 1 A 92 92 GLN CA C 92 55.583 54.894 0.689 1 1 1145 . 18 1 1 A 92 92 GLN CB C 92 30.121 31.021 -0.900 1 1 1147 . 18 1 1 A 92 92 GLN N N 92 125.869 125.725 0.144 1 1 1149 . 18 1 1 A 93 93 LEU H H 93 9.145 8.642 0.503 1 1 1150 . 18 1 1 A 93 93 LEU HA H 93 5.456 5.255 0.201 1 1 1160 . 18 1 1 A 93 93 LEU C C 93 176.256 174.996 1.260 1 1 1161 . 18 1 1 A 93 93 LEU CA C 93 53.801 53.334 0.467 1 1 1162 . 18 1 1 A 93 93 LEU CB C 93 45.913 46.037 -0.124 1 1 1166 . 18 1 1 A 93 93 LEU N N 93 123.952 124.336 -0.384 1 1 1167 . 18 1 1 A 94 94 LYS H H 94 9.255 8.474 0.781 1 1 1168 . 18 1 1 A 94 94 LYS HA H 94 5.452 4.798 0.654 1 1 1177 . 18 1 1 A 94 94 LYS C C 94 174.563 174.367 0.196 1 1 1178 . 18 1 1 A 94 94 LYS CA C 94 54.718 54.397 0.321 1 1 1179 . 18 1 1 A 94 94 LYS CB C 94 36.571 35.586 0.985 1 1 1183 . 18 1 1 A 94 94 LYS N N 94 124.618 124.608 0.010 1 1 1184 . 18 1 1 A 95 95 THR H H 95 8.582 8.326 0.256 1 1 1185 . 18 1 1 A 95 95 THR HA H 95 4.946 5.055 -0.109 1 1 1190 . 18 1 1 A 95 95 THR C C 95 175.278 174.194 1.084 1 1 1191 . 18 1 1 A 95 95 THR CA C 95 59.908 59.380 0.528 1 1 1192 . 18 1 1 A 95 95 THR CB C 95 70.917 71.990 -1.073 1 1 1194 . 18 1 1 A 95 95 THR N N 95 112.788 115.645 -2.857 1 1 1195 . 18 1 1 A 96 96 GLU H H 96 9.033 8.894 0.139 1 1 1196 . 18 1 1 A 96 96 GLU HA H 96 4.321 4.533 -0.212 1 1 1201 . 18 1 1 A 96 96 GLU C C 96 175.435 175.048 0.387 1 1 1202 . 18 1 1 A 96 96 GLU CA C 96 57.595 56.161 1.434 1 1 1203 . 18 1 1 A 96 96 GLU CB C 96 30.656 29.806 0.850 1 1 1205 . 18 1 1 A 96 96 GLU N N 96 117.745 120.879 -3.134 1 1 1206 . 18 1 1 A 97 97 ASN H H 97 7.562 7.740 -0.178 1 1 1207 . 18 1 1 A 97 97 ASN HA H 97 5.074 5.061 0.013 1 1 1212 . 18 1 1 A 97 97 ASN C C 97 176.575 174.276 2.299 1 1 1213 . 18 1 1 A 97 97 ASN CA C 97 52.195 52.748 -0.553 1 1 1214 . 18 1 1 A 97 97 ASN CB C 97 40.485 41.554 -1.069 1 1 1215 . 18 1 1 A 97 97 ASN N N 97 110.462 118.869 -8.407 1 1 1217 . 18 1 1 A 98 98 THR HA H 98 3.916 4.096 -0.180 1 1 1222 . 18 1 1 A 98 98 THR C C 98 176.938 176.238 0.700 1 1 1223 . 18 1 1 A 98 98 THR CA C 98 66.349 65.468 0.881 1 1 1224 . 18 1 1 A 98 98 THR CB C 98 68.638 68.816 -0.178 1 1 1226 . 18 1 1 A 99 99 GLU H H 99 9.316 8.010 1.306 1 1 1227 . 18 1 1 A 99 99 GLU HA H 99 4.221 4.030 0.191 1 1 1232 . 18 1 1 A 99 99 GLU C C 99 179.241 179.063 0.178 1 1 1233 . 18 1 1 A 99 99 GLU CA C 99 60.754 59.554 1.200 1 1 1234 . 18 1 1 A 99 99 GLU CB C 99 28.764 29.563 -0.799 1 1 1236 . 18 1 1 A 99 99 GLU N N 99 125.868 122.868 3.000 1 1 1237 . 18 1 1 A 100 100 SER H H 100 8.739 8.413 0.326 1 1 1238 . 18 1 1 A 100 100 SER HA H 100 4.863 4.629 0.234 1 1 1241 . 18 1 1 A 100 100 SER C C 100 177.411 177.346 0.065 1 1 1242 . 18 1 1 A 100 100 SER CA C 100 61.037 62.829 -1.792 1 1 1243 . 18 1 1 A 100 100 SER CB C 100 63.879 63.459 0.420 1 1 1244 . 18 1 1 A 100 100 SER N N 100 114.755 117.420 -2.665 1 1 1245 . 18 1 1 A 101 101 GLY H H 101 7.879 8.482 -0.603 1 1 1246 . 18 1 1 A 101 101 GLY HA2 H 101 4.139 3.905 0.234 1 1 1247 . 18 1 1 A 101 101 GLY HA3 H 101 4.012 4.028 -0.016 1 1 1248 . 18 1 1 A 101 101 GLY C C 101 174.611 175.993 -1.382 1 1 1249 . 18 1 1 A 101 101 GLY CA C 101 48.948 47.608 1.340 1 1 1250 . 18 1 1 A 101 101 GLY N N 101 108.940 109.505 -0.565 1 1 1251 . 18 1 1 A 102 102 GLU H H 102 7.801 8.026 -0.225 1 1 1252 . 18 1 1 A 102 102 GLU HA H 102 4.171 4.053 0.118 1 1 1257 . 18 1 1 A 102 102 GLU C C 102 179.084 179.165 -0.081 1 1 1258 . 18 1 1 A 102 102 GLU CA C 102 58.601 59.278 -0.677 1 1 1259 . 18 1 1 A 102 102 GLU CB C 102 29.627 29.260 0.367 1 1 1261 . 18 1 1 A 102 102 GLU N N 102 120.720 121.293 -0.573 1 1 1262 . 18 1 1 A 103 103 GLU H H 103 7.781 8.294 -0.513 1 1 1263 . 18 1 1 A 103 103 GLU HA H 103 3.739 3.896 -0.157 1 1 1268 . 18 1 1 A 103 103 GLU C C 103 178.235 179.205 -0.970 1 1 1269 . 18 1 1 A 103 103 GLU CA C 103 60.366 59.110 1.256 1 1 1270 . 18 1 1 A 103 103 GLU CB C 103 30.491 29.241 1.250 1 1 1272 . 18 1 1 A 103 103 GLU N N 103 119.068 119.839 -0.771 1 1 1273 . 18 1 1 A 104 104 TRP H H 104 8.761 8.360 0.401 1 1 1274 . 18 1 1 A 104 104 TRP HA H 104 4.171 4.465 -0.294 1 1 1283 . 18 1 1 A 104 104 TRP C C 104 178.817 178.791 0.026 1 1 1284 . 18 1 1 A 104 104 TRP CA C 104 62.290 60.385 1.905 1 1 1285 . 18 1 1 A 104 104 TRP CB C 104 29.340 29.500 -0.160 1 1 1291 . 18 1 1 A 104 104 TRP N N 104 118.358 121.002 -2.644 1 1 1293 . 18 1 1 A 105 105 ARG H H 105 8.400 8.689 -0.289 1 1 1294 . 18 1 1 A 105 105 ARG HA H 105 3.481 3.704 -0.223 1 1 1302 . 18 1 1 A 105 105 ARG C C 105 177.666 178.825 -1.159 1 1 1303 . 18 1 1 A 105 105 ARG CA C 105 60.666 59.676 0.990 1 1 1304 . 18 1 1 A 105 105 ARG CB C 105 30.162 29.995 0.167 1 1 1307 . 18 1 1 A 105 105 ARG N N 105 117.098 119.579 -2.481 1 1 1309 . 18 1 1 A 106 106 GLY H H 106 8.202 8.059 0.143 1 1 1310 . 18 1 1 A 106 106 GLY HA2 H 106 3.470 3.497 -0.027 1 1 1311 . 18 1 1 A 106 106 GLY HA3 H 106 3.382 3.548 -0.166 1 1 1312 . 18 1 1 A 106 106 GLY C C 106 176.162 175.830 0.332 1 1 1313 . 18 1 1 A 106 106 GLY CA C 106 47.554 47.161 0.393 1 1 1314 . 18 1 1 A 106 106 GLY N N 106 104.212 106.610 -2.398 1 1 1315 . 18 1 1 A 107 107 PHE H H 107 8.491 8.590 -0.099 1 1 1316 . 18 1 1 A 107 107 PHE HA H 107 3.722 4.170 -0.448 1 1 1324 . 18 1 1 A 107 107 PHE C C 107 177.265 177.995 -0.730 1 1 1325 . 18 1 1 A 107 107 PHE CA C 107 64.284 59.966 4.318 1 1 1326 . 18 1 1 A 107 107 PHE CB C 107 39.209 38.541 0.668 1 1 1332 . 18 1 1 A 107 107 PHE N N 107 122.710 120.497 2.213 1 1 1333 . 18 1 1 A 108 108 ILE H H 108 8.674 8.967 -0.293 1 1 1334 . 18 1 1 A 108 108 ILE HA H 108 3.523 3.705 -0.182 1 1 1344 . 18 1 1 A 108 108 ILE C C 108 178.623 177.974 0.649 1 1 1345 . 18 1 1 A 108 108 ILE CA C 108 66.384 65.040 1.344 1 1 1346 . 18 1 1 A 108 108 ILE CB C 108 37.852 37.715 0.137 1 1 1350 . 18 1 1 A 108 108 ILE N N 108 117.395 119.980 -2.585 1 1 1351 . 18 1 1 A 109 109 LEU H H 109 8.378 7.797 0.581 1 1 1352 . 18 1 1 A 109 109 LEU HA H 109 4.032 4.290 -0.258 1 1 1362 . 18 1 1 A 109 109 LEU C C 109 178.635 179.508 -0.873 1 1 1363 . 18 1 1 A 109 109 LEU CA C 109 57.878 57.758 0.120 1 1 1364 . 18 1 1 A 109 109 LEU CB C 109 40.854 41.700 -0.846 1 1 1368 . 18 1 1 A 109 109 LEU N N 109 118.573 119.624 -1.051 1 1 1369 . 18 1 1 A 110 110 THR H H 110 7.600 7.673 -0.073 1 1 1370 . 18 1 1 A 110 110 THR HA H 110 4.110 4.511 -0.401 1 1 1375 . 18 1 1 A 110 110 THR C C 110 177.265 176.041 1.224 1 1 1376 . 18 1 1 A 110 110 THR CA C 110 68.325 66.069 2.256 1 1 1377 . 18 1 1 A 110 110 THR CB C 110 68.230 69.002 -0.772 1 1 1379 . 18 1 1 A 110 110 THR N N 110 115.926 115.030 0.896 1 1 1380 . 18 1 1 A 111 111 VAL H H 111 7.490 7.840 -0.350 1 1 1381 . 18 1 1 A 111 111 VAL HA H 111 3.912 4.023 -0.111 1 1 1389 . 18 1 1 A 111 111 VAL C C 111 174.793 176.703 -1.910 1 1 1390 . 18 1 1 A 111 111 VAL CA C 111 64.601 61.270 3.331 1 1 1391 . 18 1 1 A 111 111 VAL CB C 111 32.007 31.507 0.500 1 1 1394 . 18 1 1 A 111 111 VAL N N 111 109.123 115.389 -6.266 1 1 1395 . 18 1 1 A 112 112 THR H H 112 7.410 7.714 -0.304 1 1 1396 . 18 1 1 A 112 112 THR HA H 112 4.494 4.597 -0.103 1 1 1401 . 18 1 1 A 112 112 THR C C 112 177.265 175.365 1.900 1 1 1402 . 18 1 1 A 112 112 THR CA C 112 62.784 62.070 0.714 1 1 1403 . 18 1 1 A 112 112 THR CB C 112 69.290 70.510 -1.220 1 1 1405 . 18 1 1 A 112 112 THR N N 112 107.046 111.733 -4.687 1 1 1406 . 18 1 1 A 113 113 GLU H H 113 8.541 8.186 0.355 1 1 1407 . 18 1 1 A 113 113 GLU HA H 113 4.280 4.425 -0.145 1 1 1412 . 18 1 1 A 113 113 GLU C C 113 176.745 175.480 1.265 1 1 1413 . 18 1 1 A 113 113 GLU CA C 113 57.048 55.944 1.104 1 1 1414 . 18 1 1 A 113 113 GLU CB C 113 29.422 29.474 -0.052 1 1 1416 . 18 1 1 A 113 113 GLU N N 113 120.888 119.061 1.827 1 1 1417 . 18 1 1 A 114 114 LEU H H 114 7.561 7.904 -0.343 1 1 1418 . 18 1 1 A 114 114 LEU HA H 114 4.042 3.976 0.066 1 1 1428 . 18 1 1 A 114 114 LEU C C 114 175.569 175.246 0.323 1 1 1429 . 18 1 1 A 114 114 LEU CA C 114 55.213 56.091 -0.878 1 1 1430 . 18 1 1 A 114 114 LEU CB C 114 38.182 40.895 -2.713 1 1 1434 . 18 1 1 A 114 114 LEU N N 114 114.453 120.325 -5.872 1 1 1435 . 18 1 1 A 115 115 SER H H 115 7.113 7.465 -0.352 1 1 1436 . 18 1 1 A 115 115 SER HA H 115 4.315 4.892 -0.577 1 1 1439 . 18 1 1 A 115 115 SER C C 115 173.521 172.199 1.322 1 1 1440 . 18 1 1 A 115 115 SER CA C 115 57.454 57.342 0.112 1 1 1441 . 18 1 1 A 115 115 SER CB C 115 64.505 66.961 -2.456 1 1 1442 . 18 1 1 A 115 115 SER N N 115 110.010 112.824 -2.814 1 1 1443 . 18 1 1 A 116 116 VAL H H 116 8.635 8.592 0.043 1 1 1444 . 18 1 1 A 116 116 VAL HA H 116 4.210 4.304 -0.094 1 1 1452 . 18 1 1 A 116 116 VAL C C 116 175.024 174.235 0.789 1 1 1453 . 18 1 1 A 116 116 VAL CA C 116 60.948 58.647 2.301 1 1 1454 . 18 1 1 A 116 116 VAL CB C 116 32.177 33.429 -1.252 1 1 1457 . 18 1 1 A 116 116 VAL N N 116 129.442 122.108 7.334 1 1 1458 . 18 1 1 A 117 117 PRO HA H 117 4.381 4.683 -0.302 1 1 1465 . 18 1 1 A 117 117 PRO C C 117 176.478 176.456 0.022 1 1 1466 . 18 1 1 A 117 117 PRO CA C 117 62.678 62.546 0.132 1 1 1467 . 18 1 1 A 117 117 PRO CB C 117 31.931 32.092 -0.161 1 1 1470 . 18 1 1 A 118 118 GLN H H 118 8.576 8.141 0.435 1 1 1471 . 18 1 1 A 118 118 GLN HA H 118 4.282 4.402 -0.120 1 1 1478 . 18 1 1 A 118 118 GLN C C 118 176.575 176.198 0.377 1 1 1479 . 18 1 1 A 118 118 GLN CA C 118 55.866 55.556 0.310 1 1 1480 . 18 1 1 A 118 118 GLN CB C 118 29.704 29.076 0.628 1 1 1482 . 18 1 1 A 118 118 GLN N N 118 118.498 118.274 0.224 1 1 1484 . 18 1 1 A 119 119 ASN H H 119 8.444 7.965 0.479 1 1 1485 . 18 1 1 A 119 119 ASN HA H 119 4.727 4.881 -0.154 1 1 1490 . 18 1 1 A 119 119 ASN C C 119 174.842 174.172 0.670 1 1 1491 . 18 1 1 A 119 119 ASN CA C 119 52.812 52.877 -0.065 1 1 1492 . 18 1 1 A 119 119 ASN CB C 119 37.071 38.907 -1.836 1 1 1493 . 18 1 1 A 119 119 ASN N N 119 117.223 117.076 0.147 1 1 1495 . 18 1 1 A 120 120 VAL H H 120 7.182 7.312 -0.130 1 1 1496 . 18 1 1 A 120 120 VAL HA H 120 4.381 4.528 -0.147 1 1 1504 . 18 1 1 A 120 120 VAL C C 120 175.484 175.605 -0.121 1 1 1505 . 18 1 1 A 120 120 VAL CA C 120 60.048 60.223 -0.175 1 1 1506 . 18 1 1 A 120 120 VAL CB C 120 34.028 33.706 0.322 1 1 1509 . 18 1 1 A 120 120 VAL N N 120 114.038 117.338 -3.300 1 1 1510 . 18 1 1 A 121 121 SER H H 121 9.313 8.641 0.672 1 1 1511 . 18 1 1 A 121 121 SER HA H 121 4.552 4.602 -0.050 1 1 1514 . 18 1 1 A 121 121 SER C C 121 173.096 174.618 -1.522 1 1 1515 . 18 1 1 A 121 121 SER CA C 121 57.119 58.472 -1.353 1 1 1516 . 18 1 1 A 121 121 SER CB C 121 62.528 63.792 -1.264 1 1 1517 . 18 1 1 A 121 121 SER N N 121 122.117 117.575 4.542 1 1 1518 . 18 1 1 A 122 122 LEU H H 122 7.470 7.348 0.122 1 1 1519 . 18 1 1 A 122 122 LEU HA H 122 4.618 4.251 0.367 1 1 1529 . 18 1 1 A 122 122 LEU C C 122 176.526 176.544 -0.018 1 1 1530 . 18 1 1 A 122 122 LEU CA C 122 52.795 55.206 -2.411 1 1 1531 . 18 1 1 A 122 122 LEU CB C 122 45.790 42.224 3.566 1 1 1535 . 18 1 1 A 122 122 LEU N N 122 122.878 123.754 -0.876 1 1 1536 . 18 1 1 A 123 123 LEU H H 123 8.765 8.390 0.375 1 1 1537 . 18 1 1 A 123 123 LEU HA H 123 4.574 4.747 -0.173 1 1 1547 . 18 1 1 A 123 123 LEU C C 123 176.769 177.188 -0.419 1 1 1548 . 18 1 1 A 123 123 LEU CA C 123 53.748 52.492 1.256 1 1 1549 . 18 1 1 A 123 123 LEU CB C 123 40.649 43.409 -2.760 1 1 1553 . 18 1 1 A 123 123 LEU N N 123 122.054 121.562 0.492 1 1 1554 . 18 1 1 A 124 124 PRO HA H 124 4.232 4.484 -0.252 1 1 1561 . 18 1 1 A 124 124 PRO CA C 124 66.281 64.345 1.936 1 1 1562 . 18 1 1 A 124 124 PRO CB C 124 31.945 31.798 0.147 1 1 1565 . 18 1 1 A 125 125 GLY HA2 H 125 3.901 3.875 0.026 1 1 1566 . 18 1 1 A 125 125 GLY HA3 H 125 3.901 3.882 0.019 1 1 1567 . 18 1 1 A 125 125 GLY C C 125 176.696 176.030 0.666 1 1 1568 . 18 1 1 A 125 125 GLY CA C 125 46.724 46.662 0.062 1 1 1569 . 18 1 1 A 126 126 GLN H H 126 7.495 7.854 -0.359 1 1 1570 . 18 1 1 A 126 126 GLN HA H 126 4.261 4.101 0.160 1 1 1577 . 18 1 1 A 126 126 GLN C C 126 178.235 178.342 -0.107 1 1 1578 . 18 1 1 A 126 126 GLN CA C 126 57.807 58.891 -1.084 1 1 1579 . 18 1 1 A 126 126 GLN CB C 126 30.039 29.010 1.029 1 1 1581 . 18 1 1 A 126 126 GLN N N 126 120.404 122.019 -1.615 1 1 1583 . 18 1 1 A 127 127 VAL H H 127 7.839 7.906 -0.067 1 1 1584 . 18 1 1 A 127 127 VAL HA H 127 3.360 3.435 -0.075 1 1 1592 . 18 1 1 A 127 127 VAL C C 127 178.441 177.835 0.606 1 1 1593 . 18 1 1 A 127 127 VAL CA C 127 67.231 66.351 0.880 1 1 1594 . 18 1 1 A 127 127 VAL CB C 127 31.948 31.407 0.541 1 1 1597 . 18 1 1 A 127 127 VAL N N 127 121.180 119.575 1.605 1 1 1598 . 18 1 1 A 128 128 ILE H H 128 7.725 8.045 -0.320 1 1 1599 . 18 1 1 A 128 128 ILE HA H 128 3.820 3.664 0.156 1 1 1609 . 18 1 1 A 128 128 ILE C C 128 178.599 177.957 0.642 1 1 1610 . 18 1 1 A 128 128 ILE CA C 128 64.978 65.500 -0.522 1 1 1611 . 18 1 1 A 128 128 ILE CB C 128 37.976 37.623 0.353 1 1 1615 . 18 1 1 A 128 128 ILE N N 128 119.369 119.534 -0.165 1 1 1616 . 18 1 1 A 129 129 LYS H H 129 7.204 8.268 -1.064 1 1 1617 . 18 1 1 A 129 129 LYS HA H 129 4.241 3.877 0.364 1 1 1626 . 18 1 1 A 129 129 LYS C C 129 178.902 178.858 0.044 1 1 1627 . 18 1 1 A 129 129 LYS CA C 129 58.690 59.309 -0.619 1 1 1628 . 18 1 1 A 129 129 LYS CB C 129 31.725 32.255 -0.530 1 1 1632 . 18 1 1 A 129 129 LYS N N 129 119.356 118.770 0.586 1 1 1633 . 18 1 1 A 130 130 LEU H H 130 7.750 7.572 0.178 1 1 1634 . 18 1 1 A 130 130 LEU HA H 130 3.649 3.580 0.069 1 1 1644 . 18 1 1 A 130 130 LEU C C 130 178.756 179.057 -0.301 1 1 1645 . 18 1 1 A 130 130 LEU CA C 130 57.913 57.831 0.082 1 1 1646 . 18 1 1 A 130 130 LEU CB C 130 40.197 41.103 -0.906 1 1 1650 . 18 1 1 A 130 130 LEU N N 130 118.271 119.699 -1.428 1 1 1651 . 18 1 1 A 131 131 HIS H H 131 7.732 8.252 -0.520 1 1 1652 . 18 1 1 A 131 131 HIS HA H 131 3.918 4.185 -0.267 1 1 1657 . 18 1 1 A 131 131 HIS C C 131 178.392 177.645 0.747 1 1 1658 . 18 1 1 A 131 131 HIS CA C 131 61.019 59.507 1.512 1 1 1659 . 18 1 1 A 131 131 HIS CB C 131 29.951 29.884 0.067 1 1 1662 . 18 1 1 A 131 131 HIS N N 131 117.308 117.216 0.092 1 1 1663 . 18 1 1 A 132 132 GLU H H 132 8.030 8.691 -0.661 1 1 1664 . 18 1 1 A 132 132 GLU HA H 132 4.097 3.871 0.226 1 1 1669 . 18 1 1 A 132 132 GLU C C 132 179.907 179.346 0.561 1 1 1670 . 18 1 1 A 132 132 GLU CA C 132 59.660 59.387 0.273 1 1 1671 . 18 1 1 A 132 132 GLU CB C 132 29.627 29.316 0.311 1 1 1673 . 18 1 1 A 132 132 GLU N N 132 121.443 119.163 2.280 1 1 1674 . 18 1 1 A 133 133 VAL H H 133 8.250 9.012 -0.762 1 1 1675 . 18 1 1 A 133 133 VAL HA H 133 3.352 3.171 0.181 1 1 1683 . 18 1 1 A 133 133 VAL C C 133 176.575 178.069 -1.494 1 1 1684 . 18 1 1 A 133 133 VAL CA C 133 66.367 66.509 -0.142 1 1 1685 . 18 1 1 A 133 133 VAL CB C 133 31.203 31.316 -0.113 1 1 1688 . 18 1 1 A 133 133 VAL N N 133 121.281 120.200 1.081 1 1 1689 . 18 1 1 A 134 134 LEU H H 134 8.259 8.344 -0.085 1 1 1690 . 18 1 1 A 134 134 LEU HA H 134 3.645 4.208 -0.563 1 1 1700 . 18 1 1 A 134 134 LEU C C 134 177.980 178.338 -0.358 1 1 1701 . 18 1 1 A 134 134 LEU CA C 134 58.154 58.630 -0.476 1 1 1702 . 18 1 1 A 134 134 LEU CB C 134 40.320 41.987 -1.667 1 1 1706 . 18 1 1 A 134 134 LEU N N 134 120.134 120.423 -0.289 1 1 1707 . 18 1 1 A 135 135 GLU H H 135 7.611 8.167 -0.556 1 1 1708 . 18 1 1 A 135 135 GLU HA H 135 3.972 4.040 -0.068 1 1 1713 . 18 1 1 A 135 135 GLU C C 135 179.834 178.553 1.281 1 1 1714 . 18 1 1 A 135 135 GLU CA C 135 59.325 59.275 0.050 1 1 1715 . 18 1 1 A 135 135 GLU CB C 135 29.134 29.260 -0.126 1 1 1717 . 18 1 1 A 135 135 GLU N N 135 116.026 117.151 -1.125 1 1 1718 . 18 1 1 A 136 136 ARG H H 136 7.789 8.561 -0.772 1 1 1719 . 18 1 1 A 136 136 ARG HA H 136 4.140 4.106 0.034 1 1 1726 . 18 1 1 A 136 136 ARG C C 136 179.083 179.134 -0.051 1 1 1727 . 18 1 1 A 136 136 ARG CA C 136 59.131 59.311 -0.180 1 1 1728 . 18 1 1 A 136 136 ARG CB C 136 30.368 29.970 0.398 1 1 1731 . 18 1 1 A 136 136 ARG N N 136 119.681 119.759 -0.078 1 1 1732 . 18 1 1 A 137 137 GLU H H 137 9.238 8.725 0.513 1 1 1733 . 18 1 1 A 137 137 GLU HA H 137 4.637 4.203 0.434 1 1 1738 . 18 1 1 A 137 137 GLU C C 137 178.817 178.891 -0.074 1 1 1739 . 18 1 1 A 137 137 GLU CA C 137 58.036 59.008 -0.972 1 1 1740 . 18 1 1 A 137 137 GLU CB C 137 28.147 28.486 -0.339 1 1 1742 . 18 1 1 A 137 137 GLU N N 137 124.333 117.927 6.406 1 1 1743 . 18 1 1 A 138 138 LYS H H 138 8.788 8.521 0.267 1 1 1744 . 18 1 1 A 138 138 LYS HA H 138 3.899 3.977 -0.078 1 1 1753 . 18 1 1 A 138 138 LYS C C 138 179.944 179.165 0.779 1 1 1754 . 18 1 1 A 138 138 LYS CA C 138 60.754 59.606 1.148 1 1 1755 . 18 1 1 A 138 138 LYS CB C 138 32.789 32.178 0.611 1 1 1759 . 18 1 1 A 138 138 LYS N N 138 119.622 119.618 0.004 1 1 1760 . 18 1 1 A 139 139 LYS H H 139 7.313 7.931 -0.618 1 1 1761 . 18 1 1 A 139 139 LYS HA H 139 4.070 3.911 0.159 1 1 1770 . 18 1 1 A 139 139 LYS C C 139 178.235 179.519 -1.284 1 1 1771 . 18 1 1 A 139 139 LYS CA C 139 59.166 59.948 -0.782 1 1 1772 . 18 1 1 A 139 139 LYS CB C 139 32.424 32.123 0.301 1 1 1776 . 18 1 1 A 139 139 LYS N N 139 117.326 119.385 -2.059 1 1 1777 . 18 1 1 A 140 140 ARG H H 140 8.344 7.932 0.412 1 1 1778 . 18 1 1 A 140 140 ARG HA H 140 4.080 3.971 0.109 1 1 1786 . 18 1 1 A 140 140 ARG C C 140 179.531 178.920 0.611 1 1 1787 . 18 1 1 A 140 140 ARG CA C 140 59.184 59.801 -0.617 1 1 1788 . 18 1 1 A 140 140 ARG CB C 140 31.190 30.052 1.138 1 1 1791 . 18 1 1 A 140 140 ARG N N 140 121.404 119.470 1.934 1 1 1793 . 18 1 1 A 141 141 ARG H H 141 8.171 8.651 -0.480 1 1 1794 . 18 1 1 A 141 141 ARG HA H 141 4.034 4.090 -0.056 1 1 1802 . 18 1 1 A 141 141 ARG C C 141 178.671 178.838 -0.167 1 1 1803 . 18 1 1 A 141 141 ARG CA C 141 58.337 59.178 -0.841 1 1 1804 . 18 1 1 A 141 141 ARG CB C 141 30.327 30.170 0.157 1 1 1807 . 18 1 1 A 141 141 ARG N N 141 115.667 119.163 -3.496 1 1 1809 . 18 1 1 A 142 142 ILE H H 142 7.521 8.656 -1.135 1 1 1810 . 18 1 1 A 142 142 ILE HA H 142 4.074 3.750 0.324 1 1 1820 . 18 1 1 A 142 142 ILE C C 142 177.787 177.039 0.748 1 1 1821 . 18 1 1 A 142 142 ILE CA C 142 63.178 64.944 -1.766 1 1 1822 . 18 1 1 A 142 142 ILE CB C 142 38.346 37.767 0.579 1 1 1826 . 18 1 1 A 142 142 ILE N N 142 118.031 120.529 -2.498 1 1 1827 . 18 1 1 A 143 143 GLU H H 143 8.041 7.998 0.043 1 1 1828 . 18 1 1 A 143 143 GLU HA H 143 4.251 4.405 -0.154 1 1 1833 . 18 1 1 A 143 143 GLU C C 143 177.217 175.034 2.183 1 1 1834 . 18 1 1 A 143 143 GLU CA C 143 57.595 56.215 1.380 1 1 1835 . 18 1 1 A 143 143 GLU CB C 143 29.998 27.980 2.018 1 1 1837 . 18 1 1 A 143 143 GLU N N 143 120.963 119.977 0.986 1 1 1838 . 18 1 1 A 144 144 SER H H 144 8.041 8.075 -0.034 1 1 1839 . 18 1 1 A 144 144 SER HA H 144 4.538 4.873 -0.335 1 1 1842 . 18 1 1 A 144 144 SER C C 144 174.721 172.928 1.793 1 1 1843 . 18 1 1 A 144 144 SER CA C 144 58.801 57.830 0.971 1 1 1844 . 18 1 1 A 144 144 SER CB C 144 64.126 65.717 -1.591 1 1 1845 . 18 1 1 A 144 144 SER N N 144 114.646 119.018 -4.372 1 1 1846 . 18 1 1 A 145 145 GLY H H 145 7.982 8.501 -0.519 1 1 1847 . 18 1 1 A 145 145 GLY HA2 H 145 4.102 4.175 -0.073 1 1 1848 . 18 1 1 A 145 145 GLY HA3 H 145 4.231 4.175 0.056 1 1 1849 . 18 1 1 A 145 145 GLY C C 145 171.800 173.115 -1.315 1 1 1850 . 18 1 1 A 145 145 GLY CA C 145 44.854 44.446 0.408 1 1 1851 . 18 1 1 A 145 145 GLY N N 145 110.299 112.840 -2.541 1 1 1852 . 18 1 1 A 146 146 PRO HA H 146 4.510 4.579 -0.069 1 1 1859 . 18 1 1 A 146 146 PRO C C 146 177.496 176.707 0.789 1 1 1860 . 18 1 1 A 146 146 PRO CA C 146 63.313 62.410 0.903 1 1 1861 . 18 1 1 A 146 146 PRO CB C 146 32.177 33.063 -0.886 1 1 1864 . 18 1 1 A 147 147 SER H H 147 8.530 8.463 0.067 1 1 1865 . 18 1 1 A 147 147 SER C C 147 174.721 174.537 0.184 1 1 1866 . 18 1 1 A 147 147 SER CA C 147 58.390 57.331 1.059 1 1 1867 . 18 1 1 A 147 147 SER CB C 147 63.803 64.039 -0.236 1 1 1868 . 18 1 1 A 147 147 SER N N 147 116.436 115.935 0.501 1 1 1869 . 18 1 1 A 148 148 SER H H 148 8.348 8.550 -0.202 1 1 1870 . 18 1 1 A 148 148 SER C C 148 173.957 174.826 -0.869 1 1 1871 . 18 1 1 A 148 148 SER CA C 148 58.372 59.934 -1.562 1 1 1872 . 18 1 1 A 148 148 SER CB C 148 64.008 63.853 0.155 1 1 1 . 19 1 1 A 8 8 GLN HA H 8 4.221 4.899 -0.678 1 1 8 . 19 1 1 A 8 8 GLN CA C 8 56.851 54.742 2.109 1 1 9 . 19 1 1 A 8 8 GLN CB C 8 28.887 29.549 -0.662 1 1 12 . 19 1 1 A 9 9 GLU H H 9 8.480 8.842 -0.362 1 1 13 . 19 1 1 A 9 9 GLU HA H 9 4.166 4.663 -0.497 1 1 18 . 19 1 1 A 9 9 GLU CA C 9 58.333 55.864 2.469 1 1 19 . 19 1 1 A 9 9 GLU CB C 9 29.545 30.206 -0.661 1 1 21 . 19 1 1 A 9 9 GLU N N 9 121.149 123.781 -2.632 1 1 22 . 19 1 1 A 10 10 ARG H H 10 8.336 8.887 -0.551 1 1 23 . 19 1 1 A 10 10 ARG HA H 10 4.131 4.702 -0.571 1 1 30 . 19 1 1 A 10 10 ARG C C 10 177.350 175.789 1.561 1 1 31 . 19 1 1 A 10 10 ARG CA C 10 57.731 55.247 2.484 1 1 32 . 19 1 1 A 10 10 ARG CB C 10 30.061 30.985 -0.924 1 1 35 . 19 1 1 A 10 10 ARG N N 10 120.177 124.978 -4.801 1 1 36 . 19 1 1 A 11 11 LEU H H 11 7.741 8.688 -0.947 1 1 37 . 19 1 1 A 11 11 LEU HA H 11 4.219 4.462 -0.243 1 1 44 . 19 1 1 A 11 11 LEU CA C 11 56.781 54.478 2.303 1 1 45 . 19 1 1 A 11 11 LEU CB C 11 41.875 42.367 -0.492 1 1 49 . 19 1 1 A 11 11 LEU N N 11 120.410 125.965 -5.555 1 1 50 . 19 1 1 A 12 12 LYS H H 12 7.816 8.472 -0.656 1 1 51 . 19 1 1 A 12 12 LYS HA H 12 4.091 4.765 -0.674 1 1 60 . 19 1 1 A 12 12 LYS CA C 12 58.234 54.084 4.150 1 1 61 . 19 1 1 A 12 12 LYS CB C 12 32.530 34.799 -2.269 1 1 65 . 19 1 1 A 12 12 LYS N N 12 119.365 118.959 0.406 1 1 66 . 19 1 1 A 13 13 ILE H H 13 7.851 8.422 -0.571 1 1 67 . 19 1 1 A 13 13 ILE HA H 13 3.951 3.945 0.006 1 1 77 . 19 1 1 A 13 13 ILE C C 13 176.914 176.600 0.314 1 1 78 . 19 1 1 A 13 13 ILE CA C 13 62.713 62.332 0.381 1 1 79 . 19 1 1 A 13 13 ILE CB C 13 38.264 38.137 0.127 1 1 83 . 19 1 1 A 14 14 THR H H 14 7.750 8.645 -0.895 1 1 84 . 19 1 1 A 14 14 THR HA H 14 4.021 3.863 0.158 1 1 88 . 19 1 1 A 14 14 THR C C 14 174.818 173.599 1.219 1 1 89 . 19 1 1 A 14 14 THR CA C 14 63.172 62.417 0.755 1 1 90 . 19 1 1 A 14 14 THR CB C 14 68.985 67.534 1.451 1 1 92 . 19 1 1 A 14 14 THR N N 14 110.999 116.886 -5.887 1 1 93 . 19 1 1 A 15 15 ALA H H 15 7.922 8.035 -0.113 1 1 94 . 19 1 1 A 15 15 ALA HA H 15 4.141 4.741 -0.600 1 1 98 . 19 1 1 A 15 15 ALA C C 15 177.593 176.775 0.818 1 1 99 . 19 1 1 A 15 15 ALA CA C 15 53.007 50.757 2.250 1 1 100 . 19 1 1 A 15 15 ALA CB C 15 18.747 20.109 -1.362 1 1 101 . 19 1 1 A 15 15 ALA N N 15 122.429 124.429 -2.000 1 1 102 . 19 1 1 A 16 16 LEU H H 16 7.442 8.592 -1.150 1 1 103 . 19 1 1 A 16 16 LEU HA H 16 4.653 4.314 0.339 1 1 112 . 19 1 1 A 16 16 LEU C C 16 173.182 174.901 -1.719 1 1 113 . 19 1 1 A 16 16 LEU CA C 16 51.524 53.773 -2.249 1 1 114 . 19 1 1 A 16 16 LEU CB C 16 45.831 41.456 4.375 1 1 118 . 19 1 1 A 16 16 LEU N N 16 120.226 124.596 -4.370 1 1 119 . 19 1 1 A 17 17 PRO HA H 17 4.140 4.666 -0.526 1 1 126 . 19 1 1 A 17 17 PRO C C 17 174.296 176.254 -1.958 1 1 127 . 19 1 1 A 17 17 PRO CA C 17 62.007 62.329 -0.322 1 1 128 . 19 1 1 A 17 17 PRO CB C 17 32.013 31.719 0.294 1 1 131 . 19 1 1 A 18 18 LEU H H 18 8.071 8.162 -0.091 1 1 132 . 19 1 1 A 18 18 LEU HA H 18 4.097 4.211 -0.114 1 1 142 . 19 1 1 A 18 18 LEU C C 18 176.974 175.422 1.552 1 1 143 . 19 1 1 A 18 18 LEU CA C 18 55.043 55.797 -0.754 1 1 144 . 19 1 1 A 18 18 LEU CB C 18 42.376 42.304 0.072 1 1 148 . 19 1 1 A 18 18 LEU N N 18 119.963 124.020 -4.057 1 1 149 . 19 1 1 A 19 19 TYR H H 19 9.108 9.184 -0.076 1 1 150 . 19 1 1 A 19 19 TYR HA H 19 5.121 4.582 0.539 1 1 157 . 19 1 1 A 19 19 TYR C C 19 174.515 175.444 -0.929 1 1 158 . 19 1 1 A 19 19 TYR CA C 19 55.160 58.826 -3.666 1 1 159 . 19 1 1 A 19 19 TYR CB C 19 39.292 40.743 -1.451 1 1 164 . 19 1 1 A 19 19 TYR N N 19 127.955 124.279 3.676 1 1 165 . 19 1 1 A 20 20 PHE H H 20 7.560 7.435 0.125 1 1 166 . 19 1 1 A 20 20 PHE HA H 20 4.281 4.505 -0.224 1 1 174 . 19 1 1 A 20 20 PHE C C 20 171.170 173.017 -1.847 1 1 175 . 19 1 1 A 20 20 PHE CA C 20 57.031 57.778 -0.747 1 1 176 . 19 1 1 A 20 20 PHE CB C 20 40.937 41.658 -0.721 1 1 182 . 19 1 1 A 20 20 PHE N N 20 115.328 116.564 -1.236 1 1 183 . 19 1 1 A 21 21 GLU H H 21 5.556 8.416 -2.860 1 1 184 . 19 1 1 A 21 21 GLU HA H 21 5.191 4.898 0.293 1 1 189 . 19 1 1 A 21 21 GLU C C 21 173.024 174.211 -1.187 1 1 190 . 19 1 1 A 21 21 GLU CA C 21 53.025 54.093 -1.068 1 1 191 . 19 1 1 A 21 21 GLU CB C 21 31.760 33.138 -1.378 1 1 193 . 19 1 1 A 21 21 GLU N N 21 118.643 122.393 -3.750 1 1 194 . 19 1 1 A 22 22 GLY H H 22 7.721 7.939 -0.218 1 1 195 . 19 1 1 A 22 22 GLY HA2 H 22 4.024 3.802 0.222 1 1 196 . 19 1 1 A 22 22 GLY HA3 H 22 3.107 3.960 -0.853 1 1 197 . 19 1 1 A 22 22 GLY C C 22 171.994 171.904 0.090 1 1 198 . 19 1 1 A 22 22 GLY CA C 22 45.013 45.584 -0.571 1 1 199 . 19 1 1 A 22 22 GLY N N 22 106.155 106.851 -0.696 1 1 200 . 19 1 1 A 23 23 PHE H H 23 8.881 8.458 0.423 1 1 201 . 19 1 1 A 23 23 PHE HA H 23 5.303 4.446 0.857 1 1 209 . 19 1 1 A 23 23 PHE C C 23 176.926 175.209 1.717 1 1 210 . 19 1 1 A 23 23 PHE CA C 23 60.013 59.527 0.486 1 1 211 . 19 1 1 A 23 23 PHE CB C 23 40.937 39.289 1.648 1 1 217 . 19 1 1 A 23 23 PHE N N 23 119.442 121.187 -1.745 1 1 218 . 19 1 1 A 24 24 LEU H H 24 9.072 8.484 0.588 1 1 219 . 19 1 1 A 24 24 LEU HA H 24 4.562 5.053 -0.491 1 1 229 . 19 1 1 A 24 24 LEU C C 24 174.406 174.603 -0.197 1 1 230 . 19 1 1 A 24 24 LEU CA C 24 54.437 53.642 0.795 1 1 231 . 19 1 1 A 24 24 LEU CB C 24 48.381 45.130 3.251 1 1 235 . 19 1 1 A 24 24 LEU N N 24 122.488 126.069 -3.581 1 1 236 . 19 1 1 A 25 25 LEU H H 25 8.120 8.280 -0.160 1 1 237 . 19 1 1 A 25 25 LEU HA H 25 5.480 4.945 0.535 1 1 247 . 19 1 1 A 25 25 LEU C C 25 176.175 175.751 0.424 1 1 248 . 19 1 1 A 25 25 LEU CA C 25 54.242 53.111 1.131 1 1 249 . 19 1 1 A 25 25 LEU CB C 25 42.576 43.461 -0.885 1 1 253 . 19 1 1 A 25 25 LEU N N 25 120.790 125.293 -4.503 1 1 254 . 19 1 1 A 26 26 ILE H H 26 9.110 8.341 0.769 1 1 255 . 19 1 1 A 26 26 ILE HA H 26 5.232 4.554 0.678 1 1 265 . 19 1 1 A 26 26 ILE C C 26 174.757 175.388 -0.631 1 1 266 . 19 1 1 A 26 26 ILE CA C 26 57.613 60.113 -2.500 1 1 267 . 19 1 1 A 26 26 ILE CB C 26 41.343 40.499 0.844 1 1 271 . 19 1 1 A 26 26 ILE N N 26 120.679 124.149 -3.470 1 1 272 . 19 1 1 A 27 27 LYS H H 27 9.150 7.949 1.201 1 1 273 . 19 1 1 A 27 27 LYS HA H 27 4.425 4.170 0.255 1 1 282 . 19 1 1 A 27 27 LYS C C 27 175.557 176.272 -0.715 1 1 283 . 19 1 1 A 27 27 LYS CA C 27 56.095 56.075 0.020 1 1 284 . 19 1 1 A 27 27 LYS CB C 27 35.056 32.923 2.133 1 1 288 . 19 1 1 A 27 27 LYS N N 27 127.778 127.259 0.519 1 1 289 . 19 1 1 A 28 28 ARG H H 28 5.868 7.900 -2.032 1 1 290 . 19 1 1 A 28 28 ARG HA H 28 4.429 3.919 0.510 1 1 298 . 19 1 1 A 28 28 ARG C C 28 176.078 175.868 0.210 1 1 299 . 19 1 1 A 28 28 ARG CA C 28 54.542 58.338 -3.796 1 1 300 . 19 1 1 A 28 28 ARG CB C 28 31.602 29.243 2.359 1 1 303 . 19 1 1 A 28 28 ARG N N 28 124.548 117.788 6.760 1 1 305 . 19 1 1 A 29 29 SER H H 29 9.067 7.764 1.303 1 1 306 . 19 1 1 A 29 29 SER HA H 29 4.181 4.671 -0.490 1 1 309 . 19 1 1 A 29 29 SER C C 29 176.066 173.821 2.245 1 1 310 . 19 1 1 A 29 29 SER CA C 29 61.019 57.600 3.419 1 1 311 . 19 1 1 A 29 29 SER CB C 29 63.057 63.739 -0.682 1 1 312 . 19 1 1 A 29 29 SER N N 29 116.823 112.039 4.784 1 1 313 . 19 1 1 A 30 30 GLY HA2 H 30 3.810 3.863 -0.053 1 1 314 . 19 1 1 A 30 30 GLY HA3 H 30 4.172 3.938 0.234 1 1 315 . 19 1 1 A 30 30 GLY CA C 30 45.171 45.414 -0.243 1 1 316 . 19 1 1 A 31 31 TYR H H 31 8.001 7.593 0.408 1 1 317 . 19 1 1 A 31 31 TYR HA H 31 4.729 4.468 0.261 1 1 324 . 19 1 1 A 31 31 TYR CB C 31 37.249 38.184 -0.935 1 1 329 . 19 1 1 A 31 31 TYR N N 31 121.120 121.340 -0.220 1 1 330 . 19 1 1 A 32 32 ARG HA H 32 4.204 4.102 0.102 1 1 337 . 19 1 1 A 32 32 ARG C C 32 176.066 176.257 -0.191 1 1 338 . 19 1 1 A 32 32 ARG CA C 32 57.631 58.051 -0.420 1 1 339 . 19 1 1 A 32 32 ARG CB C 32 30.861 29.272 1.589 1 1 342 . 19 1 1 A 33 33 GLU H H 33 7.700 8.744 -1.044 1 1 343 . 19 1 1 A 33 33 GLU HA H 33 4.600 4.538 0.062 1 1 348 . 19 1 1 A 33 33 GLU C C 33 175.569 176.344 -0.775 1 1 349 . 19 1 1 A 33 33 GLU CA C 33 53.695 56.302 -2.607 1 1 350 . 19 1 1 A 33 33 GLU CB C 33 33.000 29.639 3.361 1 1 352 . 19 1 1 A 33 33 GLU N N 33 115.988 115.877 0.111 1 1 353 . 19 1 1 A 34 34 TYR H H 34 8.755 8.099 0.656 1 1 354 . 19 1 1 A 34 34 TYR HA H 34 4.311 4.784 -0.473 1 1 361 . 19 1 1 A 34 34 TYR C C 34 176.999 173.820 3.179 1 1 362 . 19 1 1 A 34 34 TYR CA C 34 59.537 59.114 0.423 1 1 363 . 19 1 1 A 34 34 TYR CB C 34 39.744 37.173 2.571 1 1 368 . 19 1 1 A 34 34 TYR N N 34 118.663 116.542 2.121 1 1 369 . 19 1 1 A 35 35 GLU H H 35 9.024 8.583 0.441 1 1 370 . 19 1 1 A 35 35 GLU HA H 35 4.401 4.563 -0.162 1 1 375 . 19 1 1 A 35 35 GLU C C 35 174.406 175.102 -0.696 1 1 376 . 19 1 1 A 35 35 GLU CA C 35 54.330 54.575 -0.245 1 1 377 . 19 1 1 A 35 35 GLU CB C 35 31.972 32.006 -0.034 1 1 379 . 19 1 1 A 35 35 GLU N N 35 122.488 122.417 0.071 1 1 380 . 19 1 1 A 36 36 HIS H H 36 8.639 8.467 0.172 1 1 381 . 19 1 1 A 36 36 HIS HA H 36 4.980 4.646 0.334 1 1 386 . 19 1 1 A 36 36 HIS C C 36 174.127 174.520 -0.393 1 1 387 . 19 1 1 A 36 36 HIS CA C 36 55.607 56.640 -1.033 1 1 388 . 19 1 1 A 36 36 HIS CB C 36 31.396 30.769 0.627 1 1 391 . 19 1 1 A 36 36 HIS N N 36 123.767 121.863 1.904 1 1 392 . 19 1 1 A 37 37 TYR H H 37 8.931 8.554 0.377 1 1 393 . 19 1 1 A 37 37 TYR HA H 37 5.668 5.030 0.638 1 1 400 . 19 1 1 A 37 37 TYR C C 37 177.969 174.991 2.978 1 1 401 . 19 1 1 A 37 37 TYR CA C 37 55.407 57.040 -1.633 1 1 402 . 19 1 1 A 37 37 TYR CB C 37 42.089 42.645 -0.556 1 1 407 . 19 1 1 A 37 37 TYR N N 37 124.075 119.590 4.485 1 1 408 . 19 1 1 A 38 38 TRP H H 38 8.931 9.349 -0.418 1 1 409 . 19 1 1 A 38 38 TRP HA H 38 4.329 5.122 -0.793 1 1 418 . 19 1 1 A 38 38 TRP C C 38 174.345 175.478 -1.133 1 1 419 . 19 1 1 A 38 38 TRP CA C 38 58.230 56.446 1.784 1 1 420 . 19 1 1 A 38 38 TRP CB C 38 28.846 29.178 -0.332 1 1 426 . 19 1 1 A 38 38 TRP N N 38 125.317 127.401 -2.084 1 1 428 . 19 1 1 A 39 39 THR H H 39 8.366 8.888 -0.522 1 1 429 . 19 1 1 A 39 39 THR HA H 39 5.535 5.213 0.322 1 1 434 . 19 1 1 A 39 39 THR C C 39 173.303 174.335 -1.032 1 1 435 . 19 1 1 A 39 39 THR CA C 39 62.037 62.822 -0.785 1 1 436 . 19 1 1 A 39 39 THR CB C 39 70.295 70.428 -0.133 1 1 438 . 19 1 1 A 39 39 THR N N 39 127.024 122.135 4.889 1 1 439 . 19 1 1 A 40 40 GLU H H 40 8.902 9.307 -0.405 1 1 440 . 19 1 1 A 40 40 GLU HA H 40 4.816 5.190 -0.374 1 1 445 . 19 1 1 A 40 40 GLU C C 40 175.351 174.692 0.659 1 1 446 . 19 1 1 A 40 40 GLU CA C 40 53.607 54.613 -1.006 1 1 447 . 19 1 1 A 40 40 GLU CB C 40 34.639 33.625 1.014 1 1 449 . 19 1 1 A 40 40 GLU N N 40 120.613 123.407 -2.794 1 1 450 . 19 1 1 A 41 41 LEU H H 41 8.910 9.696 -0.786 1 1 451 . 19 1 1 A 41 41 LEU HA H 41 5.168 5.144 0.024 1 1 461 . 19 1 1 A 41 41 LEU C C 41 174.806 174.919 -0.113 1 1 462 . 19 1 1 A 41 41 LEU CA C 41 53.872 54.542 -0.670 1 1 463 . 19 1 1 A 41 41 LEU CB C 41 43.610 43.270 0.340 1 1 467 . 19 1 1 A 41 41 LEU N N 41 123.682 126.043 -2.361 1 1 468 . 19 1 1 A 42 42 ARG H H 42 9.150 8.824 0.326 1 1 469 . 19 1 1 A 42 42 ARG HA H 42 5.182 4.333 0.849 1 1 474 . 19 1 1 A 42 42 ARG C C 42 176.272 176.591 -0.319 1 1 475 . 19 1 1 A 42 42 ARG CA C 42 53.643 54.733 -1.090 1 1 476 . 19 1 1 A 42 42 ARG CB C 42 33.205 33.101 0.104 1 1 479 . 19 1 1 A 42 42 ARG N N 42 127.645 125.344 2.301 1 1 480 . 19 1 1 A 43 43 GLY H H 43 6.304 8.245 -1.941 1 1 481 . 19 1 1 A 43 43 GLY HA2 H 43 3.917 3.778 0.139 1 1 482 . 19 1 1 A 43 43 GLY HA3 H 43 3.812 3.909 -0.097 1 1 483 . 19 1 1 A 43 43 GLY C C 43 171.630 174.552 -2.922 1 1 484 . 19 1 1 A 43 43 GLY CA C 43 47.025 47.224 -0.199 1 1 485 . 19 1 1 A 43 43 GLY N N 43 112.565 112.911 -0.346 1 1 486 . 19 1 1 A 44 44 THR H H 44 7.841 8.785 -0.944 1 1 487 . 19 1 1 A 44 44 THR HA H 44 4.313 4.196 0.117 1 1 492 . 19 1 1 A 44 44 THR C C 44 172.515 173.530 -1.015 1 1 493 . 19 1 1 A 44 44 THR CA C 44 60.207 62.994 -2.787 1 1 494 . 19 1 1 A 44 44 THR CB C 44 68.320 66.714 1.606 1 1 496 . 19 1 1 A 44 44 THR N N 44 111.769 112.958 -1.189 1 1 497 . 19 1 1 A 45 45 THR H H 45 8.500 7.705 0.795 1 1 498 . 19 1 1 A 45 45 THR HA H 45 4.664 4.563 0.101 1 1 503 . 19 1 1 A 45 45 THR C C 45 172.224 173.112 -0.888 1 1 504 . 19 1 1 A 45 45 THR CA C 45 62.413 61.656 0.757 1 1 505 . 19 1 1 A 45 45 THR CB C 45 69.848 70.892 -1.044 1 1 507 . 19 1 1 A 45 45 THR N N 45 118.681 115.406 3.275 1 1 508 . 19 1 1 A 46 46 LEU H H 46 8.391 8.707 -0.316 1 1 509 . 19 1 1 A 46 46 LEU HA H 46 4.892 4.535 0.357 1 1 519 . 19 1 1 A 46 46 LEU C C 46 174.260 175.796 -1.536 1 1 520 . 19 1 1 A 46 46 LEU CA C 46 52.654 54.960 -2.306 1 1 521 . 19 1 1 A 46 46 LEU CB C 46 42.911 42.173 0.738 1 1 525 . 19 1 1 A 46 46 LEU N N 46 125.559 128.052 -2.493 1 1 526 . 19 1 1 A 47 47 PHE H H 47 9.131 9.322 -0.191 1 1 527 . 19 1 1 A 47 47 PHE HA H 47 3.940 4.489 -0.549 1 1 535 . 19 1 1 A 47 47 PHE C C 47 173.363 174.321 -0.958 1 1 536 . 19 1 1 A 47 47 PHE CA C 47 57.454 55.600 1.854 1 1 537 . 19 1 1 A 47 47 PHE CB C 47 42.747 40.653 2.094 1 1 543 . 19 1 1 A 47 47 PHE N N 47 121.095 122.928 -1.833 1 1 544 . 19 1 1 A 48 48 PHE H H 48 7.881 9.348 -1.467 1 1 545 . 19 1 1 A 48 48 PHE HA H 48 5.021 5.253 -0.232 1 1 553 . 19 1 1 A 48 48 PHE C C 48 173.727 174.684 -0.957 1 1 554 . 19 1 1 A 48 48 PHE CA C 48 56.166 56.327 -0.161 1 1 555 . 19 1 1 A 48 48 PHE CB C 48 39.169 39.952 -0.783 1 1 561 . 19 1 1 A 48 48 PHE N N 48 120.063 122.875 -2.812 1 1 562 . 19 1 1 A 49 49 TYR H H 49 9.972 9.565 0.407 1 1 563 . 19 1 1 A 49 49 TYR HA H 49 5.190 5.182 0.008 1 1 570 . 19 1 1 A 49 49 TYR C C 49 176.587 177.214 -0.627 1 1 571 . 19 1 1 A 49 49 TYR CA C 49 56.254 57.410 -1.156 1 1 572 . 19 1 1 A 49 49 TYR CB C 49 41.842 41.902 -0.060 1 1 577 . 19 1 1 A 49 49 TYR N N 49 121.415 123.457 -2.042 1 1 578 . 19 1 1 A 50 50 THR H H 50 9.511 9.074 0.437 1 1 579 . 19 1 1 A 50 50 THR HA H 50 4.571 4.669 -0.098 1 1 584 . 19 1 1 A 50 50 THR C C 50 174.793 174.522 0.271 1 1 585 . 19 1 1 A 50 50 THR CA C 50 65.361 63.749 1.612 1 1 586 . 19 1 1 A 50 50 THR CB C 50 69.043 69.513 -0.470 1 1 588 . 19 1 1 A 50 50 THR N N 50 114.446 115.063 -0.617 1 1 589 . 19 1 1 A 51 51 ASP H H 51 7.828 8.114 -0.286 1 1 590 . 19 1 1 A 51 51 ASP HA H 51 4.803 5.247 -0.444 1 1 593 . 19 1 1 A 51 51 ASP C C 51 174.685 176.092 -1.407 1 1 594 . 19 1 1 A 51 51 ASP CA C 51 53.254 54.616 -1.362 1 1 595 . 19 1 1 A 51 51 ASP CB C 51 43.586 43.112 0.474 1 1 596 . 19 1 1 A 51 51 ASP N N 51 115.656 120.601 -4.945 1 1 597 . 19 1 1 A 52 52 LYS H H 52 8.271 7.816 0.455 1 1 598 . 19 1 1 A 52 52 LYS HA H 52 2.800 4.231 -1.431 1 1 607 . 19 1 1 A 52 52 LYS C C 52 176.671 177.774 -1.103 1 1 608 . 19 1 1 A 52 52 LYS CA C 52 58.372 57.488 0.884 1 1 609 . 19 1 1 A 52 52 LYS CB C 52 32.178 34.185 -2.007 1 1 613 . 19 1 1 A 52 52 LYS N N 52 119.009 116.836 2.173 1 1 614 . 19 1 1 A 53 53 LYS H H 53 8.068 8.464 -0.396 1 1 615 . 19 1 1 A 53 53 LYS HA H 53 4.109 3.978 0.131 1 1 624 . 19 1 1 A 53 53 LYS C C 53 176.950 177.287 -0.337 1 1 625 . 19 1 1 A 53 53 LYS CA C 53 55.830 59.411 -3.581 1 1 626 . 19 1 1 A 53 53 LYS CB C 53 32.301 32.199 0.102 1 1 630 . 19 1 1 A 53 53 LYS N N 53 116.395 120.909 -4.514 1 1 631 . 19 1 1 A 54 54 SER H H 54 7.549 7.601 -0.052 1 1 632 . 19 1 1 A 54 54 SER HA H 54 4.316 4.350 -0.034 1 1 635 . 19 1 1 A 54 54 SER C C 54 174.394 175.271 -0.877 1 1 636 . 19 1 1 A 54 54 SER CA C 54 59.395 58.828 0.567 1 1 637 . 19 1 1 A 54 54 SER CB C 54 64.337 63.983 0.354 1 1 638 . 19 1 1 A 54 54 SER N N 54 116.653 114.090 2.563 1 1 639 . 19 1 1 A 55 55 ILE H H 55 8.424 8.900 -0.476 1 1 640 . 19 1 1 A 55 55 ILE HA H 55 4.267 4.137 0.130 1 1 650 . 19 1 1 A 55 55 ILE C C 55 174.999 176.178 -1.179 1 1 651 . 19 1 1 A 55 55 ILE CA C 55 62.213 63.322 -1.109 1 1 652 . 19 1 1 A 55 55 ILE CB C 55 38.728 38.867 -0.139 1 1 656 . 19 1 1 A 55 55 ILE N N 55 118.660 128.086 -9.426 1 1 657 . 19 1 1 A 56 56 ILE H H 56 7.771 7.553 0.218 1 1 658 . 19 1 1 A 56 56 ILE HA H 56 4.561 4.742 -0.181 1 1 668 . 19 1 1 A 56 56 ILE C C 56 175.266 175.075 0.191 1 1 669 . 19 1 1 A 56 56 ILE CA C 56 59.342 59.772 -0.430 1 1 670 . 19 1 1 A 56 56 ILE CB C 56 39.506 40.345 -0.839 1 1 674 . 19 1 1 A 56 56 ILE N N 56 119.568 117.332 2.236 1 1 675 . 19 1 1 A 57 57 TYR H H 57 7.251 8.868 -1.617 1 1 676 . 19 1 1 A 57 57 TYR HA H 57 4.261 4.397 -0.136 1 1 683 . 19 1 1 A 57 57 TYR C C 57 174.902 176.379 -1.477 1 1 684 . 19 1 1 A 57 57 TYR CA C 57 56.201 57.645 -1.444 1 1 685 . 19 1 1 A 57 57 TYR CB C 57 37.230 38.825 -1.595 1 1 690 . 19 1 1 A 58 58 VAL H H 58 9.157 8.224 0.933 1 1 691 . 19 1 1 A 58 58 VAL HA H 58 4.251 3.907 0.344 1 1 699 . 19 1 1 A 58 58 VAL C C 58 175.812 175.046 0.766 1 1 700 . 19 1 1 A 58 58 VAL CA C 58 62.360 64.562 -2.202 1 1 701 . 19 1 1 A 58 58 VAL CB C 58 33.123 32.259 0.864 1 1 704 . 19 1 1 A 58 58 VAL N N 58 116.888 120.197 -3.309 1 1 705 . 19 1 1 A 59 59 ASP H H 59 7.990 7.708 0.282 1 1 706 . 19 1 1 A 59 59 ASP HA H 59 4.970 5.191 -0.221 1 1 709 . 19 1 1 A 59 59 ASP C C 59 172.346 173.979 -1.633 1 1 710 . 19 1 1 A 59 59 ASP CA C 59 52.601 53.293 -0.692 1 1 711 . 19 1 1 A 59 59 ASP CB C 59 42.952 44.647 -1.695 1 1 712 . 19 1 1 A 59 59 ASP N N 59 117.301 119.307 -2.006 1 1 713 . 19 1 1 A 60 60 LYS H H 60 8.991 8.634 0.357 1 1 714 . 19 1 1 A 60 60 LYS HA H 60 4.761 4.420 0.341 1 1 723 . 19 1 1 A 60 60 LYS C C 60 173.666 174.371 -0.705 1 1 724 . 19 1 1 A 60 60 LYS CA C 60 54.718 53.653 1.065 1 1 725 . 19 1 1 A 60 60 LYS CB C 60 35.097 35.939 -0.842 1 1 729 . 19 1 1 A 60 60 LYS N N 60 118.648 117.771 0.877 1 1 730 . 19 1 1 A 61 61 LEU H H 61 8.702 8.717 -0.015 1 1 731 . 19 1 1 A 61 61 LEU HA H 61 4.462 4.813 -0.351 1 1 741 . 19 1 1 A 61 61 LEU C C 61 173.630 174.931 -1.301 1 1 742 . 19 1 1 A 61 61 LEU CA C 61 54.065 53.296 0.769 1 1 743 . 19 1 1 A 61 61 LEU CB C 61 47.032 45.963 1.069 1 1 747 . 19 1 1 A 61 61 LEU N N 61 121.890 120.542 1.348 1 1 748 . 19 1 1 A 62 62 ASP H H 62 8.868 8.890 -0.022 1 1 749 . 19 1 1 A 62 62 ASP HA H 62 4.841 5.223 -0.382 1 1 752 . 19 1 1 A 62 62 ASP C C 62 178.029 176.443 1.586 1 1 753 . 19 1 1 A 62 62 ASP CA C 62 53.819 52.577 1.242 1 1 754 . 19 1 1 A 62 62 ASP CB C 62 40.772 42.966 -2.194 1 1 755 . 19 1 1 A 62 62 ASP N N 62 128.697 121.624 7.073 1 1 756 . 19 1 1 A 63 63 ILE H H 63 9.261 8.411 0.850 1 1 757 . 19 1 1 A 63 63 ILE HA H 63 4.554 4.595 -0.041 1 1 767 . 19 1 1 A 63 63 ILE C C 63 175.617 177.019 -1.402 1 1 768 . 19 1 1 A 63 63 ILE CA C 63 60.736 60.489 0.247 1 1 769 . 19 1 1 A 63 63 ILE CB C 63 38.364 37.977 0.387 1 1 773 . 19 1 1 A 63 63 ILE N N 63 120.253 117.763 2.490 1 1 774 . 19 1 1 A 64 64 VAL H H 64 8.010 7.713 0.297 1 1 775 . 19 1 1 A 64 64 VAL HA H 64 3.781 3.884 -0.103 1 1 783 . 19 1 1 A 64 64 VAL C C 64 174.878 177.107 -2.229 1 1 784 . 19 1 1 A 64 64 VAL CA C 64 65.572 64.723 0.849 1 1 785 . 19 1 1 A 64 64 VAL CB C 64 30.532 31.562 -1.030 1 1 788 . 19 1 1 A 64 64 VAL N N 64 122.413 122.749 -0.336 1 1 789 . 19 1 1 A 65 65 ASP H H 65 8.391 7.676 0.715 1 1 790 . 19 1 1 A 65 65 ASP HA H 65 4.841 4.725 0.116 1 1 793 . 19 1 1 A 65 65 ASP C C 65 174.854 175.981 -1.127 1 1 794 . 19 1 1 A 65 65 ASP CA C 65 53.483 53.754 -0.271 1 1 795 . 19 1 1 A 65 65 ASP CB C 65 40.114 41.370 -1.256 1 1 796 . 19 1 1 A 65 65 ASP N N 65 119.308 119.746 -0.438 1 1 797 . 19 1 1 A 66 66 LEU H H 66 7.517 7.101 0.416 1 1 798 . 19 1 1 A 66 66 LEU HA H 66 3.962 4.231 -0.269 1 1 808 . 19 1 1 A 66 66 LEU C C 66 176.708 177.475 -0.767 1 1 809 . 19 1 1 A 66 66 LEU CA C 66 57.471 56.428 1.043 1 1 810 . 19 1 1 A 66 66 LEU CB C 66 43.322 42.812 0.510 1 1 814 . 19 1 1 A 66 66 LEU N N 66 120.009 123.377 -3.368 1 1 815 . 19 1 1 A 67 67 THR H H 67 9.329 10.388 -1.059 1 1 816 . 19 1 1 A 67 67 THR HA H 67 4.363 4.378 -0.015 1 1 821 . 19 1 1 A 67 67 THR C C 67 175.145 174.453 0.692 1 1 822 . 19 1 1 A 67 67 THR CA C 67 64.019 63.542 0.477 1 1 823 . 19 1 1 A 67 67 THR CB C 67 69.107 69.129 -0.022 1 1 825 . 19 1 1 A 67 67 THR N N 67 123.534 120.981 2.553 1 1 826 . 19 1 1 A 68 68 CYS H H 68 7.584 7.503 0.081 1 1 827 . 19 1 1 A 68 68 CYS HA H 68 4.604 4.701 -0.097 1 1 830 . 19 1 1 A 68 68 CYS C C 68 170.528 172.261 -1.733 1 1 831 . 19 1 1 A 68 68 CYS CA C 68 57.402 58.682 -1.280 1 1 832 . 19 1 1 A 68 68 CYS CB C 68 29.175 30.945 -1.770 1 1 833 . 19 1 1 A 68 68 CYS N N 68 115.015 115.730 -0.715 1 1 834 . 19 1 1 A 69 69 LEU H H 69 8.730 8.663 0.067 1 1 835 . 19 1 1 A 69 69 LEU HA H 69 5.411 5.150 0.261 1 1 845 . 19 1 1 A 69 69 LEU C C 69 176.356 175.697 0.659 1 1 846 . 19 1 1 A 69 69 LEU CA C 69 54.242 53.636 0.606 1 1 847 . 19 1 1 A 69 69 LEU CB C 69 44.885 45.701 -0.816 1 1 851 . 19 1 1 A 69 69 LEU N N 69 125.633 122.631 3.002 1 1 852 . 19 1 1 A 70 70 THR H H 70 9.197 8.788 0.409 1 1 853 . 19 1 1 A 70 70 THR HA H 70 4.702 5.335 -0.633 1 1 858 . 19 1 1 A 70 70 THR C C 70 173.582 173.641 -0.059 1 1 859 . 19 1 1 A 70 70 THR CA C 70 60.384 59.821 0.563 1 1 860 . 19 1 1 A 70 70 THR CB C 70 70.870 71.389 -0.519 1 1 862 . 19 1 1 A 70 70 THR N N 70 120.391 117.612 2.779 1 1 863 . 19 1 1 A 71 71 GLU H H 71 8.965 8.705 0.260 1 1 864 . 19 1 1 A 71 71 GLU HA H 71 4.685 5.399 -0.714 1 1 869 . 19 1 1 A 71 71 GLU C C 71 175.957 174.931 1.026 1 1 870 . 19 1 1 A 71 71 GLU CA C 71 56.254 54.791 1.463 1 1 871 . 19 1 1 A 71 71 GLU CB C 71 31.396 33.724 -2.328 1 1 873 . 19 1 1 A 71 71 GLU N N 71 124.718 119.718 5.000 1 1 874 . 19 1 1 A 72 72 GLN H H 72 8.318 8.414 -0.096 1 1 875 . 19 1 1 A 72 72 GLN HA H 72 4.629 4.876 -0.247 1 1 882 . 19 1 1 A 72 72 GLN C C 72 175.254 175.030 0.224 1 1 883 . 19 1 1 A 72 72 GLN CA C 72 55.336 54.292 1.044 1 1 884 . 19 1 1 A 72 72 GLN CB C 72 30.533 30.502 0.031 1 1 886 . 19 1 1 A 72 72 GLN N N 72 123.543 121.085 2.458 1 1 888 . 19 1 1 A 73 73 ASN H H 73 8.670 8.979 -0.309 1 1 889 . 19 1 1 A 73 73 ASN HA H 73 4.688 4.726 -0.038 1 1 894 . 19 1 1 A 73 73 ASN C C 73 175.229 174.384 0.845 1 1 895 . 19 1 1 A 73 73 ASN CA C 73 53.607 53.834 -0.227 1 1 896 . 19 1 1 A 73 73 ASN CB C 73 39.169 39.277 -0.108 1 1 897 . 19 1 1 A 73 73 ASN N N 73 120.534 125.851 -5.317 1 1 899 . 19 1 1 A 74 74 SER H H 74 8.641 8.796 -0.155 1 1 900 . 19 1 1 A 74 74 SER HA H 74 4.652 4.956 -0.304 1 1 903 . 19 1 1 A 74 74 SER C C 74 175.121 173.609 1.512 1 1 904 . 19 1 1 A 74 74 SER CA C 74 58.409 57.505 0.904 1 1 905 . 19 1 1 A 74 74 SER CB C 74 64.401 67.660 -3.259 1 1 906 . 19 1 1 A 74 74 SER N N 74 117.448 116.290 1.158 1 1 907 . 19 1 1 A 75 75 THR HA H 75 4.282 4.459 -0.177 1 1 912 . 19 1 1 A 75 75 THR C C 75 174.878 174.433 0.445 1 1 913 . 19 1 1 A 75 75 THR CA C 75 62.819 63.881 -1.062 1 1 914 . 19 1 1 A 75 75 THR CB C 75 69.061 70.350 -1.289 1 1 916 . 19 1 1 A 76 76 GLU H H 76 8.156 8.080 0.076 1 1 917 . 19 1 1 A 76 76 GLU HA H 76 4.350 4.320 0.030 1 1 922 . 19 1 1 A 76 76 GLU C C 76 176.138 176.661 -0.523 1 1 923 . 19 1 1 A 76 76 GLU CA C 76 56.202 56.447 -0.245 1 1 924 . 19 1 1 A 76 76 GLU CB C 76 30.532 29.347 1.185 1 1 926 . 19 1 1 A 76 76 GLU N N 76 122.220 120.094 2.126 1 1 927 . 19 1 1 A 77 77 LYS H H 77 8.443 8.648 -0.205 1 1 928 . 19 1 1 A 77 77 LYS HA H 77 4.221 4.049 0.172 1 1 937 . 19 1 1 A 77 77 LYS C C 77 176.465 174.990 1.475 1 1 938 . 19 1 1 A 77 77 LYS CA C 77 56.730 56.914 -0.184 1 1 939 . 19 1 1 A 77 77 LYS CB C 77 32.301 31.348 0.953 1 1 943 . 19 1 1 A 77 77 LYS N N 77 122.162 120.582 1.580 1 1 944 . 19 1 1 A 78 78 ASN H H 78 8.621 8.688 -0.067 1 1 945 . 19 1 1 A 78 78 ASN HA H 78 4.641 5.003 -0.362 1 1 950 . 19 1 1 A 78 78 ASN C C 78 173.485 174.071 -0.586 1 1 951 . 19 1 1 A 78 78 ASN CA C 78 53.748 52.441 1.307 1 1 952 . 19 1 1 A 78 78 ASN CB C 78 38.058 38.946 -0.888 1 1 953 . 19 1 1 A 78 78 ASN N N 78 116.583 122.729 -6.146 1 1 955 . 19 1 1 A 79 79 CYS H H 79 7.551 8.769 -1.218 1 1 956 . 19 1 1 A 79 79 CYS HA H 79 4.371 5.177 -0.806 1 1 959 . 19 1 1 A 79 79 CYS C C 79 172.515 173.611 -1.096 1 1 960 . 19 1 1 A 79 79 CYS CA C 79 57.295 57.350 -0.055 1 1 961 . 19 1 1 A 79 79 CYS CB C 79 29.628 31.547 -1.919 1 1 962 . 19 1 1 A 79 79 CYS N N 79 112.640 125.012 -12.372 1 1 963 . 19 1 1 A 80 80 ALA H H 80 7.642 8.411 -0.769 1 1 964 . 19 1 1 A 80 80 ALA HA H 80 4.727 4.571 0.156 1 1 968 . 19 1 1 A 80 80 ALA C C 80 175.314 177.331 -2.017 1 1 969 . 19 1 1 A 80 80 ALA CA C 80 51.330 52.115 -0.785 1 1 970 . 19 1 1 A 80 80 ALA CB C 80 21.896 19.306 2.590 1 1 971 . 19 1 1 A 80 80 ALA N N 80 124.099 124.954 -0.855 1 1 972 . 19 1 1 A 81 81 LYS H H 81 8.459 8.710 -0.251 1 1 973 . 19 1 1 A 81 81 LYS HA H 81 5.112 4.939 0.173 1 1 982 . 19 1 1 A 81 81 LYS C C 81 174.781 174.881 -0.100 1 1 983 . 19 1 1 A 81 81 LYS CA C 81 55.283 55.138 0.145 1 1 984 . 19 1 1 A 81 81 LYS CB C 81 36.133 35.614 0.519 1 1 988 . 19 1 1 A 81 81 LYS N N 81 119.796 123.962 -4.166 1 1 989 . 19 1 1 A 82 82 PHE H H 82 8.748 8.240 0.508 1 1 990 . 19 1 1 A 82 82 PHE HA H 82 5.513 5.531 -0.018 1 1 998 . 19 1 1 A 82 82 PHE C C 82 174.357 172.384 1.973 1 1 999 . 19 1 1 A 82 82 PHE CA C 82 55.643 56.258 -0.615 1 1 1000 . 19 1 1 A 82 82 PHE CB C 82 42.089 41.930 0.159 1 1 1006 . 19 1 1 A 82 82 PHE N N 82 119.073 120.451 -1.378 1 1 1007 . 19 1 1 A 83 83 THR H H 83 9.290 8.461 0.829 1 1 1008 . 19 1 1 A 83 83 THR HA H 83 5.032 5.100 -0.068 1 1 1013 . 19 1 1 A 83 83 THR C C 83 173.472 173.957 -0.485 1 1 1014 . 19 1 1 A 83 83 THR CA C 83 62.113 61.403 0.710 1 1 1015 . 19 1 1 A 83 83 THR CB C 83 71.076 70.940 0.136 1 1 1017 . 19 1 1 A 83 83 THR N N 83 116.845 115.933 0.912 1 1 1018 . 19 1 1 A 84 84 LEU H H 84 9.502 9.708 -0.206 1 1 1019 . 19 1 1 A 84 84 LEU HA H 84 4.691 4.866 -0.175 1 1 1029 . 19 1 1 A 84 84 LEU C C 84 174.308 176.027 -1.719 1 1 1030 . 19 1 1 A 84 84 LEU CA C 84 54.224 53.521 0.703 1 1 1031 . 19 1 1 A 84 84 LEU CB C 84 41.636 41.314 0.322 1 1 1035 . 19 1 1 A 84 84 LEU N N 84 125.923 127.782 -1.859 1 1 1036 . 19 1 1 A 85 85 VAL H H 85 8.620 8.520 0.100 1 1 1037 . 19 1 1 A 85 85 VAL HA H 85 4.151 4.502 -0.351 1 1 1045 . 19 1 1 A 85 85 VAL C C 85 174.188 175.427 -1.239 1 1 1046 . 19 1 1 A 85 85 VAL CA C 85 63.649 62.064 1.585 1 1 1047 . 19 1 1 A 85 85 VAL CB C 85 30.861 31.916 -1.055 1 1 1050 . 19 1 1 A 85 85 VAL N N 85 126.007 125.292 0.715 1 1 1051 . 19 1 1 A 86 86 LEU H H 86 8.534 8.693 -0.159 1 1 1052 . 19 1 1 A 86 86 LEU HA H 86 4.853 4.819 0.034 1 1 1062 . 19 1 1 A 86 86 LEU C C 86 174.878 176.652 -1.774 1 1 1063 . 19 1 1 A 86 86 LEU CA C 86 53.183 51.731 1.452 1 1 1064 . 19 1 1 A 86 86 LEU CB C 86 40.485 44.694 -4.209 1 1 1068 . 19 1 1 A 86 86 LEU N N 86 129.551 128.305 1.246 1 1 1069 . 19 1 1 A 87 87 PRO HA H 87 4.221 4.560 -0.339 1 1 1076 . 19 1 1 A 87 87 PRO C C 87 178.223 177.076 1.147 1 1 1077 . 19 1 1 A 87 87 PRO CA C 87 66.455 64.138 2.317 1 1 1078 . 19 1 1 A 87 87 PRO CB C 87 32.260 31.708 0.552 1 1 1081 . 19 1 1 A 88 88 LYS H H 88 8.414 8.198 0.216 1 1 1082 . 19 1 1 A 88 88 LYS HA H 88 4.548 4.377 0.171 1 1 1091 . 19 1 1 A 88 88 LYS C C 88 176.187 176.545 -0.358 1 1 1092 . 19 1 1 A 88 88 LYS CA C 88 55.071 57.002 -1.931 1 1 1093 . 19 1 1 A 88 88 LYS CB C 88 33.534 34.050 -0.516 1 1 1097 . 19 1 1 A 88 88 LYS N N 88 110.404 116.714 -6.310 1 1 1098 . 19 1 1 A 89 89 GLU H H 89 7.208 7.766 -0.558 1 1 1099 . 19 1 1 A 89 89 GLU HA H 89 4.561 4.764 -0.203 1 1 1104 . 19 1 1 A 89 89 GLU C C 89 172.527 174.005 -1.478 1 1 1105 . 19 1 1 A 89 89 GLU CA C 89 56.007 55.623 0.384 1 1 1106 . 19 1 1 A 89 89 GLU CB C 89 33.082 33.550 -0.468 1 1 1108 . 19 1 1 A 89 89 GLU N N 89 116.828 115.476 1.352 1 1 1109 . 19 1 1 A 90 90 GLU H H 90 8.321 8.702 -0.381 1 1 1110 . 19 1 1 A 90 90 GLU HA H 90 5.249 5.263 -0.014 1 1 1115 . 19 1 1 A 90 90 GLU C C 90 176.296 175.639 0.657 1 1 1116 . 19 1 1 A 90 90 GLU CA C 90 54.860 55.672 -0.812 1 1 1117 . 19 1 1 A 90 90 GLU CB C 90 31.972 31.213 0.759 1 1 1119 . 19 1 1 A 90 90 GLU N N 90 119.609 124.388 -4.779 1 1 1120 . 19 1 1 A 91 91 VAL H H 91 8.972 8.835 0.137 1 1 1121 . 19 1 1 A 91 91 VAL HA H 91 4.352 4.724 -0.372 1 1 1129 . 19 1 1 A 91 91 VAL C C 91 174.284 174.891 -0.607 1 1 1130 . 19 1 1 A 91 91 VAL CA C 91 61.284 60.745 0.539 1 1 1131 . 19 1 1 A 91 91 VAL CB C 91 34.891 34.989 -0.098 1 1 1134 . 19 1 1 A 91 91 VAL N N 91 123.947 124.334 -0.387 1 1 1135 . 19 1 1 A 92 92 GLN H H 92 8.241 8.480 -0.239 1 1 1136 . 19 1 1 A 92 92 GLN HA H 92 4.930 4.980 -0.050 1 1 1143 . 19 1 1 A 92 92 GLN C C 92 174.115 175.146 -1.031 1 1 1144 . 19 1 1 A 92 92 GLN CA C 92 55.583 55.304 0.279 1 1 1145 . 19 1 1 A 92 92 GLN CB C 92 30.121 30.794 -0.673 1 1 1147 . 19 1 1 A 92 92 GLN N N 92 125.869 126.374 -0.505 1 1 1149 . 19 1 1 A 93 93 LEU H H 93 9.145 8.149 0.996 1 1 1150 . 19 1 1 A 93 93 LEU HA H 93 5.456 5.196 0.260 1 1 1160 . 19 1 1 A 93 93 LEU C C 93 176.256 175.028 1.228 1 1 1161 . 19 1 1 A 93 93 LEU CA C 93 53.801 53.432 0.369 1 1 1162 . 19 1 1 A 93 93 LEU CB C 93 45.913 46.526 -0.613 1 1 1166 . 19 1 1 A 93 93 LEU N N 93 123.952 122.692 1.260 1 1 1167 . 19 1 1 A 94 94 LYS H H 94 9.255 8.354 0.901 1 1 1168 . 19 1 1 A 94 94 LYS HA H 94 5.452 4.623 0.829 1 1 1177 . 19 1 1 A 94 94 LYS C C 94 174.563 174.532 0.031 1 1 1178 . 19 1 1 A 94 94 LYS CA C 94 54.718 55.149 -0.431 1 1 1179 . 19 1 1 A 94 94 LYS CB C 94 36.571 35.761 0.810 1 1 1183 . 19 1 1 A 94 94 LYS N N 94 124.618 122.716 1.902 1 1 1184 . 19 1 1 A 95 95 THR H H 95 8.582 8.419 0.163 1 1 1185 . 19 1 1 A 95 95 THR HA H 95 4.946 4.849 0.097 1 1 1190 . 19 1 1 A 95 95 THR C C 95 175.278 174.341 0.937 1 1 1191 . 19 1 1 A 95 95 THR CA C 95 59.908 59.754 0.154 1 1 1192 . 19 1 1 A 95 95 THR CB C 95 70.917 71.096 -0.179 1 1 1194 . 19 1 1 A 95 95 THR N N 95 112.788 116.376 -3.588 1 1 1195 . 19 1 1 A 96 96 GLU H H 96 9.033 8.794 0.239 1 1 1196 . 19 1 1 A 96 96 GLU HA H 96 4.321 4.467 -0.146 1 1 1201 . 19 1 1 A 96 96 GLU C C 96 175.435 176.463 -1.028 1 1 1202 . 19 1 1 A 96 96 GLU CA C 96 57.595 57.809 -0.214 1 1 1203 . 19 1 1 A 96 96 GLU CB C 96 30.656 30.924 -0.268 1 1 1205 . 19 1 1 A 96 96 GLU N N 96 117.745 118.729 -0.984 1 1 1206 . 19 1 1 A 97 97 ASN H H 97 7.562 7.784 -0.222 1 1 1207 . 19 1 1 A 97 97 ASN HA H 97 5.074 5.010 0.064 1 1 1212 . 19 1 1 A 97 97 ASN C C 97 176.575 176.063 0.512 1 1 1213 . 19 1 1 A 97 97 ASN CA C 97 52.195 53.284 -1.089 1 1 1214 . 19 1 1 A 97 97 ASN CB C 97 40.485 39.145 1.340 1 1 1215 . 19 1 1 A 97 97 ASN N N 97 110.462 117.818 -7.356 1 1 1217 . 19 1 1 A 98 98 THR HA H 98 3.916 3.833 0.083 1 1 1222 . 19 1 1 A 98 98 THR C C 98 176.938 175.945 0.993 1 1 1223 . 19 1 1 A 98 98 THR CA C 98 66.349 66.414 -0.065 1 1 1224 . 19 1 1 A 98 98 THR CB C 98 68.638 69.051 -0.413 1 1 1226 . 19 1 1 A 99 99 GLU H H 99 9.316 8.430 0.886 1 1 1227 . 19 1 1 A 99 99 GLU HA H 99 4.221 3.985 0.236 1 1 1232 . 19 1 1 A 99 99 GLU C C 99 179.241 178.934 0.307 1 1 1233 . 19 1 1 A 99 99 GLU CA C 99 60.754 59.700 1.054 1 1 1234 . 19 1 1 A 99 99 GLU CB C 99 28.764 29.431 -0.667 1 1 1236 . 19 1 1 A 99 99 GLU N N 99 125.868 120.228 5.640 1 1 1237 . 19 1 1 A 100 100 SER H H 100 8.739 8.110 0.629 1 1 1238 . 19 1 1 A 100 100 SER HA H 100 4.863 4.403 0.460 1 1 1241 . 19 1 1 A 100 100 SER C C 100 177.411 177.585 -0.174 1 1 1242 . 19 1 1 A 100 100 SER CA C 100 61.037 61.867 -0.830 1 1 1243 . 19 1 1 A 100 100 SER CB C 100 63.879 62.959 0.920 1 1 1244 . 19 1 1 A 100 100 SER N N 100 114.755 115.549 -0.794 1 1 1245 . 19 1 1 A 101 101 GLY H H 101 7.879 8.479 -0.600 1 1 1246 . 19 1 1 A 101 101 GLY HA2 H 101 4.139 3.973 0.166 1 1 1247 . 19 1 1 A 101 101 GLY HA3 H 101 4.012 4.108 -0.096 1 1 1248 . 19 1 1 A 101 101 GLY C C 101 174.611 176.040 -1.429 1 1 1249 . 19 1 1 A 101 101 GLY CA C 101 48.948 47.564 1.384 1 1 1250 . 19 1 1 A 101 101 GLY N N 101 108.940 109.148 -0.208 1 1 1251 . 19 1 1 A 102 102 GLU H H 102 7.801 7.947 -0.146 1 1 1252 . 19 1 1 A 102 102 GLU HA H 102 4.171 4.049 0.122 1 1 1257 . 19 1 1 A 102 102 GLU C C 102 179.084 179.150 -0.066 1 1 1258 . 19 1 1 A 102 102 GLU CA C 102 58.601 59.211 -0.610 1 1 1259 . 19 1 1 A 102 102 GLU CB C 102 29.627 29.231 0.396 1 1 1261 . 19 1 1 A 102 102 GLU N N 102 120.720 121.242 -0.522 1 1 1262 . 19 1 1 A 103 103 GLU H H 103 7.781 7.716 0.065 1 1 1263 . 19 1 1 A 103 103 GLU HA H 103 3.739 3.696 0.043 1 1 1268 . 19 1 1 A 103 103 GLU C C 103 178.235 178.728 -0.493 1 1 1269 . 19 1 1 A 103 103 GLU CA C 103 60.366 58.874 1.492 1 1 1270 . 19 1 1 A 103 103 GLU CB C 103 30.491 29.013 1.478 1 1 1272 . 19 1 1 A 103 103 GLU N N 103 119.068 119.311 -0.243 1 1 1273 . 19 1 1 A 104 104 TRP H H 104 8.761 8.373 0.388 1 1 1274 . 19 1 1 A 104 104 TRP HA H 104 4.171 4.736 -0.565 1 1 1283 . 19 1 1 A 104 104 TRP C C 104 178.817 178.816 0.001 1 1 1284 . 19 1 1 A 104 104 TRP CA C 104 62.290 60.803 1.487 1 1 1285 . 19 1 1 A 104 104 TRP CB C 104 29.340 29.607 -0.267 1 1 1291 . 19 1 1 A 104 104 TRP N N 104 118.358 120.859 -2.501 1 1 1293 . 19 1 1 A 105 105 ARG H H 105 8.400 8.693 -0.293 1 1 1294 . 19 1 1 A 105 105 ARG HA H 105 3.481 3.748 -0.267 1 1 1302 . 19 1 1 A 105 105 ARG C C 105 177.666 178.983 -1.317 1 1 1303 . 19 1 1 A 105 105 ARG CA C 105 60.666 59.630 1.036 1 1 1304 . 19 1 1 A 105 105 ARG CB C 105 30.162 30.122 0.040 1 1 1307 . 19 1 1 A 105 105 ARG N N 105 117.098 119.906 -2.808 1 1 1309 . 19 1 1 A 106 106 GLY H H 106 8.202 8.363 -0.161 1 1 1310 . 19 1 1 A 106 106 GLY HA2 H 106 3.470 3.505 -0.035 1 1 1311 . 19 1 1 A 106 106 GLY HA3 H 106 3.382 3.587 -0.205 1 1 1312 . 19 1 1 A 106 106 GLY C C 106 176.162 176.182 -0.020 1 1 1313 . 19 1 1 A 106 106 GLY CA C 106 47.554 47.221 0.333 1 1 1314 . 19 1 1 A 106 106 GLY N N 106 104.212 106.745 -2.533 1 1 1315 . 19 1 1 A 107 107 PHE H H 107 8.491 8.110 0.381 1 1 1316 . 19 1 1 A 107 107 PHE HA H 107 3.722 4.209 -0.487 1 1 1324 . 19 1 1 A 107 107 PHE C C 107 177.265 178.041 -0.776 1 1 1325 . 19 1 1 A 107 107 PHE CA C 107 64.284 60.297 3.987 1 1 1326 . 19 1 1 A 107 107 PHE CB C 107 39.209 38.892 0.317 1 1 1332 . 19 1 1 A 107 107 PHE N N 107 122.710 120.484 2.226 1 1 1333 . 19 1 1 A 108 108 ILE H H 108 8.674 9.120 -0.446 1 1 1334 . 19 1 1 A 108 108 ILE HA H 108 3.523 3.760 -0.237 1 1 1344 . 19 1 1 A 108 108 ILE C C 108 178.623 178.113 0.510 1 1 1345 . 19 1 1 A 108 108 ILE CA C 108 66.384 65.081 1.303 1 1 1346 . 19 1 1 A 108 108 ILE CB C 108 37.852 37.839 0.013 1 1 1350 . 19 1 1 A 108 108 ILE N N 108 117.395 119.865 -2.470 1 1 1351 . 19 1 1 A 109 109 LEU H H 109 8.378 8.852 -0.474 1 1 1352 . 19 1 1 A 109 109 LEU HA H 109 4.032 4.431 -0.399 1 1 1362 . 19 1 1 A 109 109 LEU C C 109 178.635 179.502 -0.867 1 1 1363 . 19 1 1 A 109 109 LEU CA C 109 57.878 57.493 0.385 1 1 1364 . 19 1 1 A 109 109 LEU CB C 109 40.854 41.581 -0.727 1 1 1368 . 19 1 1 A 109 109 LEU N N 109 118.573 118.888 -0.315 1 1 1369 . 19 1 1 A 110 110 THR H H 110 7.600 7.773 -0.173 1 1 1370 . 19 1 1 A 110 110 THR HA H 110 4.110 4.396 -0.286 1 1 1375 . 19 1 1 A 110 110 THR C C 110 177.265 176.660 0.605 1 1 1376 . 19 1 1 A 110 110 THR CA C 110 68.325 66.116 2.209 1 1 1377 . 19 1 1 A 110 110 THR CB C 110 68.230 69.140 -0.910 1 1 1379 . 19 1 1 A 110 110 THR N N 110 115.926 114.958 0.968 1 1 1380 . 19 1 1 A 111 111 VAL H H 111 7.490 8.206 -0.716 1 1 1381 . 19 1 1 A 111 111 VAL HA H 111 3.912 4.326 -0.414 1 1 1389 . 19 1 1 A 111 111 VAL C C 111 174.793 177.296 -2.503 1 1 1390 . 19 1 1 A 111 111 VAL CA C 111 64.601 64.756 -0.155 1 1 1391 . 19 1 1 A 111 111 VAL CB C 111 32.007 31.369 0.638 1 1 1394 . 19 1 1 A 111 111 VAL N N 111 109.123 116.198 -7.075 1 1 1395 . 19 1 1 A 112 112 THR H H 112 7.410 7.919 -0.509 1 1 1396 . 19 1 1 A 112 112 THR HA H 112 4.494 4.481 0.013 1 1 1401 . 19 1 1 A 112 112 THR C C 112 177.265 176.681 0.584 1 1 1402 . 19 1 1 A 112 112 THR CA C 112 62.784 63.159 -0.375 1 1 1403 . 19 1 1 A 112 112 THR CB C 112 69.290 69.331 -0.041 1 1 1405 . 19 1 1 A 112 112 THR N N 112 107.046 113.491 -6.445 1 1 1406 . 19 1 1 A 113 113 GLU H H 113 8.541 8.257 0.284 1 1 1407 . 19 1 1 A 113 113 GLU HA H 113 4.280 4.224 0.056 1 1 1412 . 19 1 1 A 113 113 GLU C C 113 176.745 176.685 0.060 1 1 1413 . 19 1 1 A 113 113 GLU CA C 113 57.048 56.965 0.083 1 1 1414 . 19 1 1 A 113 113 GLU CB C 113 29.422 29.841 -0.419 1 1 1416 . 19 1 1 A 113 113 GLU N N 113 120.888 121.243 -0.355 1 1 1417 . 19 1 1 A 114 114 LEU H H 114 7.561 8.886 -1.325 1 1 1418 . 19 1 1 A 114 114 LEU HA H 114 4.042 4.048 -0.006 1 1 1428 . 19 1 1 A 114 114 LEU C C 114 175.569 175.579 -0.010 1 1 1429 . 19 1 1 A 114 114 LEU CA C 114 55.213 56.660 -1.447 1 1 1430 . 19 1 1 A 114 114 LEU CB C 114 38.182 41.436 -3.254 1 1 1434 . 19 1 1 A 114 114 LEU N N 114 114.453 119.827 -5.374 1 1 1435 . 19 1 1 A 115 115 SER H H 115 7.113 7.553 -0.440 1 1 1436 . 19 1 1 A 115 115 SER HA H 115 4.315 4.748 -0.433 1 1 1439 . 19 1 1 A 115 115 SER C C 115 173.521 172.356 1.165 1 1 1440 . 19 1 1 A 115 115 SER CA C 115 57.454 55.693 1.761 1 1 1441 . 19 1 1 A 115 115 SER CB C 115 64.505 65.381 -0.876 1 1 1442 . 19 1 1 A 115 115 SER N N 115 110.010 112.749 -2.739 1 1 1443 . 19 1 1 A 116 116 VAL H H 116 8.635 8.450 0.185 1 1 1444 . 19 1 1 A 116 116 VAL HA H 116 4.210 4.431 -0.221 1 1 1452 . 19 1 1 A 116 116 VAL C C 116 175.024 174.117 0.907 1 1 1453 . 19 1 1 A 116 116 VAL CA C 116 60.948 58.796 2.152 1 1 1454 . 19 1 1 A 116 116 VAL CB C 116 32.177 34.956 -2.779 1 1 1457 . 19 1 1 A 116 116 VAL N N 116 129.442 120.538 8.904 1 1 1458 . 19 1 1 A 117 117 PRO HA H 117 4.381 4.727 -0.346 1 1 1465 . 19 1 1 A 117 117 PRO C C 117 176.478 176.942 -0.464 1 1 1466 . 19 1 1 A 117 117 PRO CA C 117 62.678 62.517 0.161 1 1 1467 . 19 1 1 A 117 117 PRO CB C 117 31.931 32.078 -0.147 1 1 1470 . 19 1 1 A 118 118 GLN H H 118 8.576 8.753 -0.177 1 1 1471 . 19 1 1 A 118 118 GLN HA H 118 4.282 4.261 0.021 1 1 1478 . 19 1 1 A 118 118 GLN C C 118 176.575 176.786 -0.211 1 1 1479 . 19 1 1 A 118 118 GLN CA C 118 55.866 56.480 -0.614 1 1 1480 . 19 1 1 A 118 118 GLN CB C 118 29.704 29.128 0.576 1 1 1482 . 19 1 1 A 118 118 GLN N N 118 118.498 120.304 -1.806 1 1 1484 . 19 1 1 A 119 119 ASN H H 119 8.444 7.860 0.584 1 1 1485 . 19 1 1 A 119 119 ASN HA H 119 4.727 4.876 -0.149 1 1 1490 . 19 1 1 A 119 119 ASN C C 119 174.842 173.662 1.180 1 1 1491 . 19 1 1 A 119 119 ASN CA C 119 52.812 52.883 -0.071 1 1 1492 . 19 1 1 A 119 119 ASN CB C 119 37.071 36.754 0.317 1 1 1493 . 19 1 1 A 119 119 ASN N N 119 117.223 116.703 0.520 1 1 1495 . 19 1 1 A 120 120 VAL H H 120 7.182 7.556 -0.374 1 1 1496 . 19 1 1 A 120 120 VAL HA H 120 4.381 4.703 -0.322 1 1 1504 . 19 1 1 A 120 120 VAL C C 120 175.484 175.573 -0.089 1 1 1505 . 19 1 1 A 120 120 VAL CA C 120 60.048 59.655 0.393 1 1 1506 . 19 1 1 A 120 120 VAL CB C 120 34.028 34.884 -0.856 1 1 1509 . 19 1 1 A 120 120 VAL N N 120 114.038 117.137 -3.099 1 1 1510 . 19 1 1 A 121 121 SER H H 121 9.313 8.584 0.729 1 1 1511 . 19 1 1 A 121 121 SER HA H 121 4.552 4.564 -0.012 1 1 1514 . 19 1 1 A 121 121 SER C C 121 173.096 174.135 -1.039 1 1 1515 . 19 1 1 A 121 121 SER CA C 121 57.119 58.180 -1.061 1 1 1516 . 19 1 1 A 121 121 SER CB C 121 62.528 64.083 -1.555 1 1 1517 . 19 1 1 A 121 121 SER N N 121 122.117 116.791 5.326 1 1 1518 . 19 1 1 A 122 122 LEU H H 122 7.470 7.449 0.021 1 1 1519 . 19 1 1 A 122 122 LEU HA H 122 4.618 4.084 0.534 1 1 1529 . 19 1 1 A 122 122 LEU C C 122 176.526 177.406 -0.880 1 1 1530 . 19 1 1 A 122 122 LEU CA C 122 52.795 55.252 -2.457 1 1 1531 . 19 1 1 A 122 122 LEU CB C 122 45.790 43.129 2.661 1 1 1535 . 19 1 1 A 122 122 LEU N N 122 122.878 124.113 -1.235 1 1 1536 . 19 1 1 A 123 123 LEU H H 123 8.765 8.396 0.369 1 1 1537 . 19 1 1 A 123 123 LEU HA H 123 4.574 4.352 0.222 1 1 1547 . 19 1 1 A 123 123 LEU C C 123 176.769 176.783 -0.014 1 1 1548 . 19 1 1 A 123 123 LEU CA C 123 53.748 53.351 0.397 1 1 1549 . 19 1 1 A 123 123 LEU CB C 123 40.649 41.374 -0.725 1 1 1553 . 19 1 1 A 123 123 LEU N N 123 122.054 123.479 -1.425 1 1 1554 . 19 1 1 A 124 124 PRO HA H 124 4.232 4.486 -0.254 1 1 1561 . 19 1 1 A 124 124 PRO CA C 124 66.281 64.038 2.243 1 1 1562 . 19 1 1 A 124 124 PRO CB C 124 31.945 31.735 0.210 1 1 1565 . 19 1 1 A 125 125 GLY HA2 H 125 3.901 3.896 0.005 1 1 1566 . 19 1 1 A 125 125 GLY HA3 H 125 3.901 3.897 0.004 1 1 1567 . 19 1 1 A 125 125 GLY C C 125 176.696 175.882 0.814 1 1 1568 . 19 1 1 A 125 125 GLY CA C 125 46.724 46.318 0.406 1 1 1569 . 19 1 1 A 126 126 GLN H H 126 7.495 7.847 -0.352 1 1 1570 . 19 1 1 A 126 126 GLN HA H 126 4.261 3.991 0.270 1 1 1577 . 19 1 1 A 126 126 GLN C C 126 178.235 177.988 0.247 1 1 1578 . 19 1 1 A 126 126 GLN CA C 126 57.807 58.604 -0.797 1 1 1579 . 19 1 1 A 126 126 GLN CB C 126 30.039 28.400 1.639 1 1 1581 . 19 1 1 A 126 126 GLN N N 126 120.404 122.140 -1.736 1 1 1583 . 19 1 1 A 127 127 VAL H H 127 7.839 7.760 0.079 1 1 1584 . 19 1 1 A 127 127 VAL HA H 127 3.360 3.553 -0.193 1 1 1592 . 19 1 1 A 127 127 VAL C C 127 178.441 178.096 0.345 1 1 1593 . 19 1 1 A 127 127 VAL CA C 127 67.231 65.767 1.464 1 1 1594 . 19 1 1 A 127 127 VAL CB C 127 31.948 31.619 0.329 1 1 1597 . 19 1 1 A 127 127 VAL N N 127 121.180 119.866 1.314 1 1 1598 . 19 1 1 A 128 128 ILE H H 128 7.725 8.362 -0.637 1 1 1599 . 19 1 1 A 128 128 ILE HA H 128 3.820 3.548 0.272 1 1 1609 . 19 1 1 A 128 128 ILE C C 128 178.599 178.047 0.552 1 1 1610 . 19 1 1 A 128 128 ILE CA C 128 64.978 65.791 -0.813 1 1 1611 . 19 1 1 A 128 128 ILE CB C 128 37.976 37.856 0.120 1 1 1615 . 19 1 1 A 128 128 ILE N N 128 119.369 121.129 -1.760 1 1 1616 . 19 1 1 A 129 129 LYS H H 129 7.204 8.047 -0.843 1 1 1617 . 19 1 1 A 129 129 LYS HA H 129 4.241 3.977 0.264 1 1 1626 . 19 1 1 A 129 129 LYS C C 129 178.902 179.345 -0.443 1 1 1627 . 19 1 1 A 129 129 LYS CA C 129 58.690 59.330 -0.640 1 1 1628 . 19 1 1 A 129 129 LYS CB C 129 31.725 32.313 -0.588 1 1 1632 . 19 1 1 A 129 129 LYS N N 129 119.356 118.874 0.482 1 1 1633 . 19 1 1 A 130 130 LEU H H 130 7.750 7.830 -0.080 1 1 1634 . 19 1 1 A 130 130 LEU HA H 130 3.649 3.887 -0.238 1 1 1644 . 19 1 1 A 130 130 LEU C C 130 178.756 179.229 -0.473 1 1 1645 . 19 1 1 A 130 130 LEU CA C 130 57.913 57.736 0.177 1 1 1646 . 19 1 1 A 130 130 LEU CB C 130 40.197 41.351 -1.154 1 1 1650 . 19 1 1 A 130 130 LEU N N 130 118.271 119.755 -1.484 1 1 1651 . 19 1 1 A 131 131 HIS H H 131 7.732 8.098 -0.366 1 1 1652 . 19 1 1 A 131 131 HIS HA H 131 3.918 4.119 -0.201 1 1 1657 . 19 1 1 A 131 131 HIS C C 131 178.392 177.708 0.684 1 1 1658 . 19 1 1 A 131 131 HIS CA C 131 61.019 60.157 0.862 1 1 1659 . 19 1 1 A 131 131 HIS CB C 131 29.951 29.943 0.008 1 1 1662 . 19 1 1 A 131 131 HIS N N 131 117.308 117.448 -0.140 1 1 1663 . 19 1 1 A 132 132 GLU H H 132 8.030 8.520 -0.490 1 1 1664 . 19 1 1 A 132 132 GLU HA H 132 4.097 3.980 0.117 1 1 1669 . 19 1 1 A 132 132 GLU C C 132 179.907 179.459 0.448 1 1 1670 . 19 1 1 A 132 132 GLU CA C 132 59.660 59.347 0.313 1 1 1671 . 19 1 1 A 132 132 GLU CB C 132 29.627 29.625 0.002 1 1 1673 . 19 1 1 A 132 132 GLU N N 132 121.443 119.512 1.931 1 1 1674 . 19 1 1 A 133 133 VAL H H 133 8.250 9.144 -0.894 1 1 1675 . 19 1 1 A 133 133 VAL HA H 133 3.352 3.258 0.094 1 1 1683 . 19 1 1 A 133 133 VAL C C 133 176.575 177.799 -1.224 1 1 1684 . 19 1 1 A 133 133 VAL CA C 133 66.367 66.069 0.298 1 1 1685 . 19 1 1 A 133 133 VAL CB C 133 31.203 31.096 0.107 1 1 1688 . 19 1 1 A 133 133 VAL N N 133 121.281 120.126 1.155 1 1 1689 . 19 1 1 A 134 134 LEU H H 134 8.259 8.306 -0.047 1 1 1690 . 19 1 1 A 134 134 LEU HA H 134 3.645 3.852 -0.207 1 1 1700 . 19 1 1 A 134 134 LEU C C 134 177.980 178.141 -0.161 1 1 1701 . 19 1 1 A 134 134 LEU CA C 134 58.154 58.695 -0.541 1 1 1702 . 19 1 1 A 134 134 LEU CB C 134 40.320 41.947 -1.627 1 1 1706 . 19 1 1 A 134 134 LEU N N 134 120.134 120.260 -0.126 1 1 1707 . 19 1 1 A 135 135 GLU H H 135 7.611 8.266 -0.655 1 1 1708 . 19 1 1 A 135 135 GLU HA H 135 3.972 3.910 0.062 1 1 1713 . 19 1 1 A 135 135 GLU C C 135 179.834 179.145 0.689 1 1 1714 . 19 1 1 A 135 135 GLU CA C 135 59.325 59.627 -0.302 1 1 1715 . 19 1 1 A 135 135 GLU CB C 135 29.134 29.248 -0.114 1 1 1717 . 19 1 1 A 135 135 GLU N N 135 116.026 117.730 -1.704 1 1 1718 . 19 1 1 A 136 136 ARG H H 136 7.789 8.143 -0.354 1 1 1719 . 19 1 1 A 136 136 ARG HA H 136 4.140 4.099 0.041 1 1 1726 . 19 1 1 A 136 136 ARG C C 136 179.083 179.330 -0.247 1 1 1727 . 19 1 1 A 136 136 ARG CA C 136 59.131 59.294 -0.163 1 1 1728 . 19 1 1 A 136 136 ARG CB C 136 30.368 29.943 0.425 1 1 1731 . 19 1 1 A 136 136 ARG N N 136 119.681 120.169 -0.488 1 1 1732 . 19 1 1 A 137 137 GLU H H 137 9.238 8.654 0.584 1 1 1733 . 19 1 1 A 137 137 GLU HA H 137 4.637 4.180 0.457 1 1 1738 . 19 1 1 A 137 137 GLU C C 137 178.817 178.997 -0.180 1 1 1739 . 19 1 1 A 137 137 GLU CA C 137 58.036 58.998 -0.962 1 1 1740 . 19 1 1 A 137 137 GLU CB C 137 28.147 28.279 -0.132 1 1 1742 . 19 1 1 A 137 137 GLU N N 137 124.333 118.064 6.269 1 1 1743 . 19 1 1 A 138 138 LYS H H 138 8.788 8.546 0.242 1 1 1744 . 19 1 1 A 138 138 LYS HA H 138 3.899 3.992 -0.093 1 1 1753 . 19 1 1 A 138 138 LYS C C 138 179.944 179.359 0.585 1 1 1754 . 19 1 1 A 138 138 LYS CA C 138 60.754 59.756 0.998 1 1 1755 . 19 1 1 A 138 138 LYS CB C 138 32.789 32.198 0.591 1 1 1759 . 19 1 1 A 138 138 LYS N N 138 119.622 119.707 -0.085 1 1 1760 . 19 1 1 A 139 139 LYS H H 139 7.313 7.709 -0.396 1 1 1761 . 19 1 1 A 139 139 LYS HA H 139 4.070 3.912 0.158 1 1 1770 . 19 1 1 A 139 139 LYS C C 139 178.235 179.025 -0.790 1 1 1771 . 19 1 1 A 139 139 LYS CA C 139 59.166 60.011 -0.845 1 1 1772 . 19 1 1 A 139 139 LYS CB C 139 32.424 32.122 0.302 1 1 1776 . 19 1 1 A 139 139 LYS N N 139 117.326 119.354 -2.028 1 1 1777 . 19 1 1 A 140 140 ARG H H 140 8.344 7.991 0.353 1 1 1778 . 19 1 1 A 140 140 ARG HA H 140 4.080 4.017 0.063 1 1 1786 . 19 1 1 A 140 140 ARG C C 140 179.531 178.953 0.578 1 1 1787 . 19 1 1 A 140 140 ARG CA C 140 59.184 59.484 -0.300 1 1 1788 . 19 1 1 A 140 140 ARG CB C 140 31.190 30.037 1.153 1 1 1791 . 19 1 1 A 140 140 ARG N N 140 121.404 119.839 1.565 1 1 1793 . 19 1 1 A 141 141 ARG H H 141 8.171 8.282 -0.111 1 1 1794 . 19 1 1 A 141 141 ARG HA H 141 4.034 4.021 0.013 1 1 1802 . 19 1 1 A 141 141 ARG C C 141 178.671 178.752 -0.081 1 1 1803 . 19 1 1 A 141 141 ARG CA C 141 58.337 58.949 -0.612 1 1 1804 . 19 1 1 A 141 141 ARG CB C 141 30.327 29.905 0.422 1 1 1807 . 19 1 1 A 141 141 ARG N N 141 115.667 118.821 -3.154 1 1 1809 . 19 1 1 A 142 142 ILE H H 142 7.521 8.579 -1.058 1 1 1810 . 19 1 1 A 142 142 ILE HA H 142 4.074 3.689 0.385 1 1 1820 . 19 1 1 A 142 142 ILE C C 142 177.787 177.934 -0.147 1 1 1821 . 19 1 1 A 142 142 ILE CA C 142 63.178 64.943 -1.765 1 1 1822 . 19 1 1 A 142 142 ILE CB C 142 38.346 37.821 0.525 1 1 1826 . 19 1 1 A 142 142 ILE N N 142 118.031 120.917 -2.886 1 1 1827 . 19 1 1 A 143 143 GLU H H 143 8.041 8.042 -0.001 1 1 1828 . 19 1 1 A 143 143 GLU HA H 143 4.251 4.023 0.228 1 1 1833 . 19 1 1 A 143 143 GLU C C 143 177.217 176.942 0.275 1 1 1834 . 19 1 1 A 143 143 GLU CA C 143 57.595 59.252 -1.657 1 1 1835 . 19 1 1 A 143 143 GLU CB C 143 29.998 29.689 0.309 1 1 1837 . 19 1 1 A 143 143 GLU N N 143 120.963 119.594 1.369 1 1 1838 . 19 1 1 A 144 144 SER H H 144 8.041 8.006 0.035 1 1 1839 . 19 1 1 A 144 144 SER HA H 144 4.538 4.427 0.111 1 1 1842 . 19 1 1 A 144 144 SER C C 144 174.721 173.253 1.468 1 1 1843 . 19 1 1 A 144 144 SER CA C 144 58.801 59.472 -0.671 1 1 1844 . 19 1 1 A 144 144 SER CB C 144 64.126 62.658 1.468 1 1 1845 . 19 1 1 A 144 144 SER N N 144 114.646 114.658 -0.012 1 1 1846 . 19 1 1 A 145 145 GLY H H 145 7.982 8.698 -0.716 1 1 1847 . 19 1 1 A 145 145 GLY HA2 H 145 4.102 4.207 -0.105 1 1 1848 . 19 1 1 A 145 145 GLY HA3 H 145 4.231 4.208 0.023 1 1 1849 . 19 1 1 A 145 145 GLY C C 145 171.800 174.393 -2.593 1 1 1850 . 19 1 1 A 145 145 GLY CA C 145 44.854 44.843 0.011 1 1 1851 . 19 1 1 A 145 145 GLY N N 145 110.299 110.417 -0.118 1 1 1852 . 19 1 1 A 146 146 PRO HA H 146 4.510 4.419 0.091 1 1 1859 . 19 1 1 A 146 146 PRO C C 146 177.496 177.302 0.194 1 1 1860 . 19 1 1 A 146 146 PRO CA C 146 63.313 64.896 -1.583 1 1 1861 . 19 1 1 A 146 146 PRO CB C 146 32.177 32.108 0.069 1 1 1864 . 19 1 1 A 147 147 SER H H 147 8.530 7.822 0.708 1 1 1865 . 19 1 1 A 147 147 SER C C 147 174.721 174.400 0.321 1 1 1866 . 19 1 1 A 147 147 SER CA C 147 58.390 58.768 -0.378 1 1 1867 . 19 1 1 A 147 147 SER CB C 147 63.803 64.605 -0.802 1 1 1868 . 19 1 1 A 147 147 SER N N 147 116.436 109.577 6.859 1 1 1869 . 19 1 1 A 148 148 SER H H 148 8.348 7.825 0.523 1 1 1870 . 19 1 1 A 148 148 SER C C 148 173.957 175.058 -1.101 1 1 1871 . 19 1 1 A 148 148 SER CA C 148 58.372 58.432 -0.060 1 1 1872 . 19 1 1 A 148 148 SER CB C 148 64.008 62.800 1.208 1 1 1 . 20 1 1 A 8 8 GLN HA H 8 4.221 4.460 -0.239 1 1 8 . 20 1 1 A 8 8 GLN CA C 8 56.851 54.653 2.198 1 1 9 . 20 1 1 A 8 8 GLN CB C 8 28.887 30.612 -1.725 1 1 12 . 20 1 1 A 9 9 GLU H H 9 8.480 8.938 -0.458 1 1 13 . 20 1 1 A 9 9 GLU HA H 9 4.166 3.913 0.253 1 1 18 . 20 1 1 A 9 9 GLU CA C 9 58.333 59.769 -1.436 1 1 19 . 20 1 1 A 9 9 GLU CB C 9 29.545 29.873 -0.328 1 1 21 . 20 1 1 A 9 9 GLU N N 9 121.149 124.348 -3.199 1 1 22 . 20 1 1 A 10 10 ARG H H 10 8.336 7.908 0.428 1 1 23 . 20 1 1 A 10 10 ARG HA H 10 4.131 4.005 0.126 1 1 30 . 20 1 1 A 10 10 ARG C C 10 177.350 175.339 2.011 1 1 31 . 20 1 1 A 10 10 ARG CA C 10 57.731 56.572 1.159 1 1 32 . 20 1 1 A 10 10 ARG CB C 10 30.061 29.089 0.972 1 1 35 . 20 1 1 A 10 10 ARG N N 10 120.177 116.989 3.188 1 1 36 . 20 1 1 A 11 11 LEU H H 11 7.741 8.307 -0.566 1 1 37 . 20 1 1 A 11 11 LEU HA H 11 4.219 4.463 -0.244 1 1 44 . 20 1 1 A 11 11 LEU CA C 11 56.781 54.230 2.551 1 1 45 . 20 1 1 A 11 11 LEU CB C 11 41.875 42.239 -0.364 1 1 49 . 20 1 1 A 11 11 LEU N N 11 120.410 121.816 -1.406 1 1 50 . 20 1 1 A 12 12 LYS H H 12 7.816 8.918 -1.102 1 1 51 . 20 1 1 A 12 12 LYS HA H 12 4.091 5.022 -0.931 1 1 60 . 20 1 1 A 12 12 LYS CA C 12 58.234 54.768 3.466 1 1 61 . 20 1 1 A 12 12 LYS CB C 12 32.530 35.296 -2.766 1 1 65 . 20 1 1 A 12 12 LYS N N 12 119.365 124.058 -4.693 1 1 66 . 20 1 1 A 13 13 ILE H H 13 7.851 8.923 -1.072 1 1 67 . 20 1 1 A 13 13 ILE HA H 13 3.951 5.060 -1.109 1 1 77 . 20 1 1 A 13 13 ILE C C 13 176.914 175.189 1.725 1 1 78 . 20 1 1 A 13 13 ILE CA C 13 62.713 59.977 2.736 1 1 79 . 20 1 1 A 13 13 ILE CB C 13 38.264 40.446 -2.182 1 1 83 . 20 1 1 A 14 14 THR H H 14 7.750 9.002 -1.252 1 1 84 . 20 1 1 A 14 14 THR HA H 14 4.021 4.578 -0.557 1 1 88 . 20 1 1 A 14 14 THR C C 14 174.818 174.124 0.694 1 1 89 . 20 1 1 A 14 14 THR CA C 14 63.172 63.124 0.048 1 1 90 . 20 1 1 A 14 14 THR CB C 14 68.985 71.221 -2.236 1 1 92 . 20 1 1 A 14 14 THR N N 14 110.999 120.389 -9.390 1 1 93 . 20 1 1 A 15 15 ALA H H 15 7.922 7.843 0.079 1 1 94 . 20 1 1 A 15 15 ALA HA H 15 4.141 4.589 -0.448 1 1 98 . 20 1 1 A 15 15 ALA C C 15 177.593 176.848 0.745 1 1 99 . 20 1 1 A 15 15 ALA CA C 15 53.007 50.241 2.766 1 1 100 . 20 1 1 A 15 15 ALA CB C 15 18.747 22.131 -3.384 1 1 101 . 20 1 1 A 15 15 ALA N N 15 122.429 120.246 2.183 1 1 102 . 20 1 1 A 16 16 LEU H H 16 7.442 8.354 -0.912 1 1 103 . 20 1 1 A 16 16 LEU HA H 16 4.653 4.277 0.376 1 1 112 . 20 1 1 A 16 16 LEU C C 16 173.182 176.821 -3.639 1 1 113 . 20 1 1 A 16 16 LEU CA C 16 51.524 53.280 -1.756 1 1 114 . 20 1 1 A 16 16 LEU CB C 16 45.831 41.287 4.544 1 1 118 . 20 1 1 A 16 16 LEU N N 16 120.226 118.867 1.359 1 1 119 . 20 1 1 A 17 17 PRO HA H 17 4.140 4.447 -0.307 1 1 126 . 20 1 1 A 17 17 PRO C C 17 174.296 177.028 -2.732 1 1 127 . 20 1 1 A 17 17 PRO CA C 17 62.007 63.426 -1.419 1 1 128 . 20 1 1 A 17 17 PRO CB C 17 32.013 31.851 0.162 1 1 131 . 20 1 1 A 18 18 LEU H H 18 8.071 7.605 0.466 1 1 132 . 20 1 1 A 18 18 LEU HA H 18 4.097 3.953 0.144 1 1 142 . 20 1 1 A 18 18 LEU C C 18 176.974 175.979 0.995 1 1 143 . 20 1 1 A 18 18 LEU CA C 18 55.043 55.661 -0.618 1 1 144 . 20 1 1 A 18 18 LEU CB C 18 42.376 41.380 0.996 1 1 148 . 20 1 1 A 18 18 LEU N N 18 119.963 120.220 -0.257 1 1 149 . 20 1 1 A 19 19 TYR H H 19 9.108 8.638 0.470 1 1 150 . 20 1 1 A 19 19 TYR HA H 19 5.121 4.676 0.445 1 1 157 . 20 1 1 A 19 19 TYR C C 19 174.515 175.607 -1.092 1 1 158 . 20 1 1 A 19 19 TYR CA C 19 55.160 58.852 -3.692 1 1 159 . 20 1 1 A 19 19 TYR CB C 19 39.292 40.712 -1.420 1 1 164 . 20 1 1 A 19 19 TYR N N 19 127.955 122.210 5.745 1 1 165 . 20 1 1 A 20 20 PHE H H 20 7.560 7.077 0.483 1 1 166 . 20 1 1 A 20 20 PHE HA H 20 4.281 4.590 -0.309 1 1 174 . 20 1 1 A 20 20 PHE C C 20 171.170 173.018 -1.848 1 1 175 . 20 1 1 A 20 20 PHE CA C 20 57.031 56.845 0.186 1 1 176 . 20 1 1 A 20 20 PHE CB C 20 40.937 42.159 -1.222 1 1 182 . 20 1 1 A 20 20 PHE N N 20 115.328 116.936 -1.608 1 1 183 . 20 1 1 A 21 21 GLU H H 21 5.556 7.711 -2.155 1 1 184 . 20 1 1 A 21 21 GLU HA H 21 5.191 4.776 0.415 1 1 189 . 20 1 1 A 21 21 GLU C C 21 173.024 173.718 -0.694 1 1 190 . 20 1 1 A 21 21 GLU CA C 21 53.025 54.803 -1.778 1 1 191 . 20 1 1 A 21 21 GLU CB C 21 31.760 31.879 -0.119 1 1 193 . 20 1 1 A 21 21 GLU N N 21 118.643 121.058 -2.415 1 1 194 . 20 1 1 A 22 22 GLY H H 22 7.721 8.138 -0.417 1 1 195 . 20 1 1 A 22 22 GLY HA2 H 22 4.024 3.772 0.252 1 1 196 . 20 1 1 A 22 22 GLY HA3 H 22 3.107 3.990 -0.883 1 1 197 . 20 1 1 A 22 22 GLY C C 22 171.994 171.810 0.184 1 1 198 . 20 1 1 A 22 22 GLY CA C 22 45.013 44.868 0.145 1 1 199 . 20 1 1 A 22 22 GLY N N 22 106.155 109.085 -2.930 1 1 200 . 20 1 1 A 23 23 PHE H H 23 8.881 8.771 0.110 1 1 201 . 20 1 1 A 23 23 PHE HA H 23 5.303 4.843 0.460 1 1 209 . 20 1 1 A 23 23 PHE C C 23 176.926 175.256 1.670 1 1 210 . 20 1 1 A 23 23 PHE CA C 23 60.013 59.878 0.135 1 1 211 . 20 1 1 A 23 23 PHE CB C 23 40.937 39.494 1.443 1 1 217 . 20 1 1 A 23 23 PHE N N 23 119.442 120.690 -1.248 1 1 218 . 20 1 1 A 24 24 LEU H H 24 9.072 9.271 -0.199 1 1 219 . 20 1 1 A 24 24 LEU HA H 24 4.562 5.138 -0.576 1 1 229 . 20 1 1 A 24 24 LEU C C 24 174.406 174.695 -0.289 1 1 230 . 20 1 1 A 24 24 LEU CA C 24 54.437 53.493 0.944 1 1 231 . 20 1 1 A 24 24 LEU CB C 24 48.381 45.667 2.714 1 1 235 . 20 1 1 A 24 24 LEU N N 24 122.488 126.041 -3.553 1 1 236 . 20 1 1 A 25 25 LEU H H 25 8.120 8.628 -0.508 1 1 237 . 20 1 1 A 25 25 LEU HA H 25 5.480 5.235 0.245 1 1 247 . 20 1 1 A 25 25 LEU C C 25 176.175 175.729 0.446 1 1 248 . 20 1 1 A 25 25 LEU CA C 25 54.242 53.351 0.891 1 1 249 . 20 1 1 A 25 25 LEU CB C 25 42.576 42.720 -0.144 1 1 253 . 20 1 1 A 25 25 LEU N N 25 120.790 125.663 -4.873 1 1 254 . 20 1 1 A 26 26 ILE H H 26 9.110 8.558 0.552 1 1 255 . 20 1 1 A 26 26 ILE HA H 26 5.232 4.505 0.727 1 1 265 . 20 1 1 A 26 26 ILE C C 26 174.757 173.545 1.212 1 1 266 . 20 1 1 A 26 26 ILE CA C 26 57.613 59.529 -1.916 1 1 267 . 20 1 1 A 26 26 ILE CB C 26 41.343 38.711 2.632 1 1 271 . 20 1 1 A 26 26 ILE N N 26 120.679 125.345 -4.666 1 1 272 . 20 1 1 A 27 27 LYS H H 27 9.150 9.112 0.038 1 1 273 . 20 1 1 A 27 27 LYS HA H 27 4.425 4.471 -0.046 1 1 282 . 20 1 1 A 27 27 LYS C C 27 175.557 174.798 0.759 1 1 283 . 20 1 1 A 27 27 LYS CA C 27 56.095 54.257 1.838 1 1 284 . 20 1 1 A 27 27 LYS CB C 27 35.056 34.816 0.240 1 1 288 . 20 1 1 A 27 27 LYS N N 27 127.778 129.215 -1.437 1 1 289 . 20 1 1 A 28 28 ARG H H 28 5.868 8.589 -2.721 1 1 290 . 20 1 1 A 28 28 ARG HA H 28 4.429 4.786 -0.357 1 1 298 . 20 1 1 A 28 28 ARG C C 28 176.078 176.076 0.002 1 1 299 . 20 1 1 A 28 28 ARG CA C 28 54.542 53.860 0.682 1 1 300 . 20 1 1 A 28 28 ARG CB C 28 31.602 34.028 -2.426 1 1 303 . 20 1 1 A 28 28 ARG N N 28 124.548 125.040 -0.492 1 1 305 . 20 1 1 A 29 29 SER H H 29 9.067 8.736 0.331 1 1 306 . 20 1 1 A 29 29 SER HA H 29 4.181 4.482 -0.301 1 1 309 . 20 1 1 A 29 29 SER C C 29 176.066 174.992 1.074 1 1 310 . 20 1 1 A 29 29 SER CA C 29 61.019 58.873 2.146 1 1 311 . 20 1 1 A 29 29 SER CB C 29 63.057 62.406 0.651 1 1 312 . 20 1 1 A 29 29 SER N N 29 116.823 117.921 -1.098 1 1 313 . 20 1 1 A 30 30 GLY HA2 H 30 3.810 4.050 -0.240 1 1 314 . 20 1 1 A 30 30 GLY HA3 H 30 4.172 4.067 0.105 1 1 315 . 20 1 1 A 30 30 GLY CA C 30 45.171 45.334 -0.163 1 1 316 . 20 1 1 A 31 31 TYR H H 31 8.001 8.241 -0.240 1 1 317 . 20 1 1 A 31 31 TYR HA H 31 4.729 4.681 0.048 1 1 324 . 20 1 1 A 31 31 TYR CB C 31 37.249 40.612 -3.363 1 1 329 . 20 1 1 A 31 31 TYR N N 31 121.120 118.556 2.564 1 1 330 . 20 1 1 A 32 32 ARG HA H 32 4.204 4.065 0.139 1 1 337 . 20 1 1 A 32 32 ARG C C 32 176.066 174.709 1.357 1 1 338 . 20 1 1 A 32 32 ARG CA C 32 57.631 57.892 -0.261 1 1 339 . 20 1 1 A 32 32 ARG CB C 32 30.861 29.988 0.873 1 1 342 . 20 1 1 A 33 33 GLU H H 33 7.700 7.796 -0.096 1 1 343 . 20 1 1 A 33 33 GLU HA H 33 4.600 4.700 -0.100 1 1 348 . 20 1 1 A 33 33 GLU C C 33 175.569 174.681 0.888 1 1 349 . 20 1 1 A 33 33 GLU CA C 33 53.695 54.831 -1.136 1 1 350 . 20 1 1 A 33 33 GLU CB C 33 33.000 32.970 0.030 1 1 352 . 20 1 1 A 33 33 GLU N N 33 115.988 113.742 2.246 1 1 353 . 20 1 1 A 34 34 TYR H H 34 8.755 8.620 0.135 1 1 354 . 20 1 1 A 34 34 TYR HA H 34 4.311 4.289 0.022 1 1 361 . 20 1 1 A 34 34 TYR C C 34 176.999 175.450 1.549 1 1 362 . 20 1 1 A 34 34 TYR CA C 34 59.537 59.733 -0.196 1 1 363 . 20 1 1 A 34 34 TYR CB C 34 39.744 38.480 1.264 1 1 368 . 20 1 1 A 34 34 TYR N N 34 118.663 121.827 -3.164 1 1 369 . 20 1 1 A 35 35 GLU H H 35 9.024 8.772 0.252 1 1 370 . 20 1 1 A 35 35 GLU HA H 35 4.401 4.813 -0.412 1 1 375 . 20 1 1 A 35 35 GLU C C 35 174.406 175.922 -1.516 1 1 376 . 20 1 1 A 35 35 GLU CA C 35 54.330 55.377 -1.047 1 1 377 . 20 1 1 A 35 35 GLU CB C 35 31.972 31.549 0.423 1 1 379 . 20 1 1 A 35 35 GLU N N 35 122.488 123.941 -1.453 1 1 380 . 20 1 1 A 36 36 HIS H H 36 8.639 8.844 -0.205 1 1 381 . 20 1 1 A 36 36 HIS HA H 36 4.980 4.838 0.142 1 1 386 . 20 1 1 A 36 36 HIS C C 36 174.127 174.767 -0.640 1 1 387 . 20 1 1 A 36 36 HIS CA C 36 55.607 55.855 -0.248 1 1 388 . 20 1 1 A 36 36 HIS CB C 36 31.396 29.685 1.711 1 1 391 . 20 1 1 A 36 36 HIS N N 36 123.767 121.812 1.955 1 1 392 . 20 1 1 A 37 37 TYR H H 37 8.931 8.970 -0.039 1 1 393 . 20 1 1 A 37 37 TYR HA H 37 5.668 5.079 0.589 1 1 400 . 20 1 1 A 37 37 TYR C C 37 177.969 174.983 2.986 1 1 401 . 20 1 1 A 37 37 TYR CA C 37 55.407 56.822 -1.415 1 1 402 . 20 1 1 A 37 37 TYR CB C 37 42.089 42.363 -0.274 1 1 407 . 20 1 1 A 37 37 TYR N N 37 124.075 121.519 2.556 1 1 408 . 20 1 1 A 38 38 TRP H H 38 8.931 9.576 -0.645 1 1 409 . 20 1 1 A 38 38 TRP HA H 38 4.329 4.990 -0.661 1 1 418 . 20 1 1 A 38 38 TRP C C 38 174.345 175.602 -1.257 1 1 419 . 20 1 1 A 38 38 TRP CA C 38 58.230 56.903 1.327 1 1 420 . 20 1 1 A 38 38 TRP CB C 38 28.846 29.391 -0.545 1 1 426 . 20 1 1 A 38 38 TRP N N 38 125.317 127.326 -2.009 1 1 428 . 20 1 1 A 39 39 THR H H 39 8.366 8.788 -0.422 1 1 429 . 20 1 1 A 39 39 THR HA H 39 5.535 5.228 0.307 1 1 434 . 20 1 1 A 39 39 THR C C 39 173.303 173.562 -0.259 1 1 435 . 20 1 1 A 39 39 THR CA C 39 62.037 62.047 -0.010 1 1 436 . 20 1 1 A 39 39 THR CB C 39 70.295 70.867 -0.572 1 1 438 . 20 1 1 A 39 39 THR N N 39 127.024 122.866 4.158 1 1 439 . 20 1 1 A 40 40 GLU H H 40 8.902 9.672 -0.770 1 1 440 . 20 1 1 A 40 40 GLU HA H 40 4.816 5.077 -0.261 1 1 445 . 20 1 1 A 40 40 GLU C C 40 175.351 174.730 0.621 1 1 446 . 20 1 1 A 40 40 GLU CA C 40 53.607 54.776 -1.169 1 1 447 . 20 1 1 A 40 40 GLU CB C 40 34.639 33.492 1.147 1 1 449 . 20 1 1 A 40 40 GLU N N 40 120.613 123.243 -2.630 1 1 450 . 20 1 1 A 41 41 LEU H H 41 8.910 8.534 0.376 1 1 451 . 20 1 1 A 41 41 LEU HA H 41 5.168 5.142 0.026 1 1 461 . 20 1 1 A 41 41 LEU C C 41 174.806 174.755 0.051 1 1 462 . 20 1 1 A 41 41 LEU CA C 41 53.872 54.443 -0.571 1 1 463 . 20 1 1 A 41 41 LEU CB C 41 43.610 43.388 0.222 1 1 467 . 20 1 1 A 41 41 LEU N N 41 123.682 126.955 -3.273 1 1 468 . 20 1 1 A 42 42 ARG H H 42 9.150 8.524 0.626 1 1 469 . 20 1 1 A 42 42 ARG HA H 42 5.182 4.420 0.762 1 1 474 . 20 1 1 A 42 42 ARG C C 42 176.272 176.536 -0.264 1 1 475 . 20 1 1 A 42 42 ARG CA C 42 53.643 54.548 -0.905 1 1 476 . 20 1 1 A 42 42 ARG CB C 42 33.205 33.058 0.147 1 1 479 . 20 1 1 A 42 42 ARG N N 42 127.645 126.529 1.116 1 1 480 . 20 1 1 A 43 43 GLY H H 43 6.304 8.230 -1.926 1 1 481 . 20 1 1 A 43 43 GLY HA2 H 43 3.917 3.850 0.067 1 1 482 . 20 1 1 A 43 43 GLY HA3 H 43 3.812 4.024 -0.212 1 1 483 . 20 1 1 A 43 43 GLY C C 43 171.630 174.772 -3.142 1 1 484 . 20 1 1 A 43 43 GLY CA C 43 47.025 47.453 -0.428 1 1 485 . 20 1 1 A 43 43 GLY N N 43 112.565 112.820 -0.255 1 1 486 . 20 1 1 A 44 44 THR H H 44 7.841 8.442 -0.601 1 1 487 . 20 1 1 A 44 44 THR HA H 44 4.313 4.708 -0.395 1 1 492 . 20 1 1 A 44 44 THR C C 44 172.515 173.238 -0.723 1 1 493 . 20 1 1 A 44 44 THR CA C 44 60.207 61.121 -0.914 1 1 494 . 20 1 1 A 44 44 THR CB C 44 68.320 70.088 -1.768 1 1 496 . 20 1 1 A 44 44 THR N N 44 111.769 118.379 -6.610 1 1 497 . 20 1 1 A 45 45 THR H H 45 8.500 8.375 0.125 1 1 498 . 20 1 1 A 45 45 THR HA H 45 4.664 4.700 -0.036 1 1 503 . 20 1 1 A 45 45 THR C C 45 172.224 173.563 -1.339 1 1 504 . 20 1 1 A 45 45 THR CA C 45 62.413 61.697 0.716 1 1 505 . 20 1 1 A 45 45 THR CB C 45 69.848 70.555 -0.707 1 1 507 . 20 1 1 A 45 45 THR N N 45 118.681 117.178 1.503 1 1 508 . 20 1 1 A 46 46 LEU H H 46 8.391 8.998 -0.607 1 1 509 . 20 1 1 A 46 46 LEU HA H 46 4.892 4.742 0.150 1 1 519 . 20 1 1 A 46 46 LEU C C 46 174.260 175.728 -1.468 1 1 520 . 20 1 1 A 46 46 LEU CA C 46 52.654 54.091 -1.437 1 1 521 . 20 1 1 A 46 46 LEU CB C 46 42.911 42.320 0.591 1 1 525 . 20 1 1 A 46 46 LEU N N 46 125.559 128.557 -2.998 1 1 526 . 20 1 1 A 47 47 PHE H H 47 9.131 9.275 -0.144 1 1 527 . 20 1 1 A 47 47 PHE HA H 47 3.940 4.677 -0.737 1 1 535 . 20 1 1 A 47 47 PHE C C 47 173.363 174.303 -0.940 1 1 536 . 20 1 1 A 47 47 PHE CA C 47 57.454 55.812 1.642 1 1 537 . 20 1 1 A 47 47 PHE CB C 47 42.747 41.823 0.924 1 1 543 . 20 1 1 A 47 47 PHE N N 47 121.095 122.827 -1.732 1 1 544 . 20 1 1 A 48 48 PHE H H 48 7.881 9.399 -1.518 1 1 545 . 20 1 1 A 48 48 PHE HA H 48 5.021 5.328 -0.307 1 1 553 . 20 1 1 A 48 48 PHE C C 48 173.727 174.521 -0.794 1 1 554 . 20 1 1 A 48 48 PHE CA C 48 56.166 56.201 -0.035 1 1 555 . 20 1 1 A 48 48 PHE CB C 48 39.169 41.643 -2.474 1 1 561 . 20 1 1 A 48 48 PHE N N 48 120.063 122.173 -2.110 1 1 562 . 20 1 1 A 49 49 TYR H H 49 9.972 9.561 0.411 1 1 563 . 20 1 1 A 49 49 TYR HA H 49 5.190 5.240 -0.050 1 1 570 . 20 1 1 A 49 49 TYR C C 49 176.587 176.500 0.087 1 1 571 . 20 1 1 A 49 49 TYR CA C 49 56.254 56.901 -0.647 1 1 572 . 20 1 1 A 49 49 TYR CB C 49 41.842 43.351 -1.509 1 1 577 . 20 1 1 A 49 49 TYR N N 49 121.415 120.653 0.762 1 1 578 . 20 1 1 A 50 50 THR H H 50 9.511 8.979 0.532 1 1 579 . 20 1 1 A 50 50 THR HA H 50 4.571 4.471 0.100 1 1 584 . 20 1 1 A 50 50 THR C C 50 174.793 175.496 -0.703 1 1 585 . 20 1 1 A 50 50 THR CA C 50 65.361 65.730 -0.369 1 1 586 . 20 1 1 A 50 50 THR CB C 50 69.043 69.087 -0.044 1 1 588 . 20 1 1 A 50 50 THR N N 50 114.446 116.347 -1.901 1 1 589 . 20 1 1 A 51 51 ASP H H 51 7.828 8.564 -0.736 1 1 590 . 20 1 1 A 51 51 ASP HA H 51 4.803 5.278 -0.475 1 1 593 . 20 1 1 A 51 51 ASP C C 51 174.685 176.787 -2.102 1 1 594 . 20 1 1 A 51 51 ASP CA C 51 53.254 55.261 -2.007 1 1 595 . 20 1 1 A 51 51 ASP CB C 51 43.586 43.389 0.197 1 1 596 . 20 1 1 A 51 51 ASP N N 51 115.656 120.189 -4.533 1 1 597 . 20 1 1 A 52 52 LYS H H 52 8.271 7.823 0.448 1 1 598 . 20 1 1 A 52 52 LYS HA H 52 2.800 4.146 -1.346 1 1 607 . 20 1 1 A 52 52 LYS C C 52 176.671 177.483 -0.812 1 1 608 . 20 1 1 A 52 52 LYS CA C 52 58.372 56.828 1.544 1 1 609 . 20 1 1 A 52 52 LYS CB C 52 32.178 33.803 -1.625 1 1 613 . 20 1 1 A 52 52 LYS N N 52 119.009 113.406 5.603 1 1 614 . 20 1 1 A 53 53 LYS H H 53 8.068 8.557 -0.489 1 1 615 . 20 1 1 A 53 53 LYS HA H 53 4.109 3.979 0.130 1 1 624 . 20 1 1 A 53 53 LYS C C 53 176.950 177.395 -0.445 1 1 625 . 20 1 1 A 53 53 LYS CA C 53 55.830 59.401 -3.571 1 1 626 . 20 1 1 A 53 53 LYS CB C 53 32.301 32.251 0.050 1 1 630 . 20 1 1 A 53 53 LYS N N 53 116.395 120.229 -3.834 1 1 631 . 20 1 1 A 54 54 SER H H 54 7.549 7.751 -0.202 1 1 632 . 20 1 1 A 54 54 SER HA H 54 4.316 4.364 -0.048 1 1 635 . 20 1 1 A 54 54 SER C C 54 174.394 175.067 -0.673 1 1 636 . 20 1 1 A 54 54 SER CA C 54 59.395 58.735 0.660 1 1 637 . 20 1 1 A 54 54 SER CB C 54 64.337 64.121 0.216 1 1 638 . 20 1 1 A 54 54 SER N N 54 116.653 113.801 2.852 1 1 639 . 20 1 1 A 55 55 ILE H H 55 8.424 8.979 -0.555 1 1 640 . 20 1 1 A 55 55 ILE HA H 55 4.267 4.267 0.000 1 1 650 . 20 1 1 A 55 55 ILE C C 55 174.999 176.619 -1.620 1 1 651 . 20 1 1 A 55 55 ILE CA C 55 62.213 63.548 -1.335 1 1 652 . 20 1 1 A 55 55 ILE CB C 55 38.728 38.771 -0.043 1 1 656 . 20 1 1 A 55 55 ILE N N 55 118.660 128.494 -9.834 1 1 657 . 20 1 1 A 56 56 ILE H H 56 7.771 7.871 -0.100 1 1 658 . 20 1 1 A 56 56 ILE HA H 56 4.561 4.276 0.285 1 1 668 . 20 1 1 A 56 56 ILE C C 56 175.266 175.145 0.121 1 1 669 . 20 1 1 A 56 56 ILE CA C 56 59.342 60.720 -1.378 1 1 670 . 20 1 1 A 56 56 ILE CB C 56 39.506 37.071 2.435 1 1 674 . 20 1 1 A 56 56 ILE N N 56 119.568 121.688 -2.120 1 1 675 . 20 1 1 A 57 57 TYR H H 57 7.251 9.052 -1.801 1 1 676 . 20 1 1 A 57 57 TYR HA H 57 4.261 4.086 0.175 1 1 683 . 20 1 1 A 57 57 TYR C C 57 174.902 176.555 -1.653 1 1 684 . 20 1 1 A 57 57 TYR CA C 57 56.201 57.873 -1.672 1 1 685 . 20 1 1 A 57 57 TYR CB C 57 37.230 38.635 -1.405 1 1 690 . 20 1 1 A 58 58 VAL H H 58 9.157 8.069 1.088 1 1 691 . 20 1 1 A 58 58 VAL HA H 58 4.251 3.924 0.327 1 1 699 . 20 1 1 A 58 58 VAL C C 58 175.812 175.050 0.762 1 1 700 . 20 1 1 A 58 58 VAL CA C 58 62.360 64.828 -2.468 1 1 701 . 20 1 1 A 58 58 VAL CB C 58 33.123 32.391 0.732 1 1 704 . 20 1 1 A 58 58 VAL N N 58 116.888 121.347 -4.459 1 1 705 . 20 1 1 A 59 59 ASP H H 59 7.990 7.382 0.608 1 1 706 . 20 1 1 A 59 59 ASP HA H 59 4.970 5.220 -0.250 1 1 709 . 20 1 1 A 59 59 ASP C C 59 172.346 173.750 -1.404 1 1 710 . 20 1 1 A 59 59 ASP CA C 59 52.601 53.488 -0.887 1 1 711 . 20 1 1 A 59 59 ASP CB C 59 42.952 44.467 -1.515 1 1 712 . 20 1 1 A 59 59 ASP N N 59 117.301 119.015 -1.714 1 1 713 . 20 1 1 A 60 60 LYS H H 60 8.991 8.777 0.214 1 1 714 . 20 1 1 A 60 60 LYS HA H 60 4.761 4.491 0.270 1 1 723 . 20 1 1 A 60 60 LYS C C 60 173.666 174.644 -0.978 1 1 724 . 20 1 1 A 60 60 LYS CA C 60 54.718 53.562 1.156 1 1 725 . 20 1 1 A 60 60 LYS CB C 60 35.097 36.068 -0.971 1 1 729 . 20 1 1 A 60 60 LYS N N 60 118.648 117.930 0.718 1 1 730 . 20 1 1 A 61 61 LEU H H 61 8.702 9.196 -0.494 1 1 731 . 20 1 1 A 61 61 LEU HA H 61 4.462 4.980 -0.518 1 1 741 . 20 1 1 A 61 61 LEU C C 61 173.630 174.845 -1.215 1 1 742 . 20 1 1 A 61 61 LEU CA C 61 54.065 53.300 0.765 1 1 743 . 20 1 1 A 61 61 LEU CB C 61 47.032 46.773 0.259 1 1 747 . 20 1 1 A 61 61 LEU N N 61 121.890 120.092 1.798 1 1 748 . 20 1 1 A 62 62 ASP H H 62 8.868 8.645 0.223 1 1 749 . 20 1 1 A 62 62 ASP HA H 62 4.841 5.094 -0.253 1 1 752 . 20 1 1 A 62 62 ASP C C 62 178.029 174.940 3.089 1 1 753 . 20 1 1 A 62 62 ASP CA C 62 53.819 52.878 0.941 1 1 754 . 20 1 1 A 62 62 ASP CB C 62 40.772 44.203 -3.431 1 1 755 . 20 1 1 A 62 62 ASP N N 62 128.697 120.352 8.345 1 1 756 . 20 1 1 A 63 63 ILE H H 63 9.261 8.065 1.196 1 1 757 . 20 1 1 A 63 63 ILE HA H 63 4.554 4.601 -0.047 1 1 767 . 20 1 1 A 63 63 ILE C C 63 175.617 176.936 -1.319 1 1 768 . 20 1 1 A 63 63 ILE CA C 63 60.736 60.212 0.524 1 1 769 . 20 1 1 A 63 63 ILE CB C 63 38.364 37.833 0.531 1 1 773 . 20 1 1 A 63 63 ILE N N 63 120.253 121.124 -0.871 1 1 774 . 20 1 1 A 64 64 VAL H H 64 8.010 7.906 0.104 1 1 775 . 20 1 1 A 64 64 VAL HA H 64 3.781 3.904 -0.123 1 1 783 . 20 1 1 A 64 64 VAL C C 64 174.878 176.454 -1.576 1 1 784 . 20 1 1 A 64 64 VAL CA C 64 65.572 64.755 0.817 1 1 785 . 20 1 1 A 64 64 VAL CB C 64 30.532 31.779 -1.247 1 1 788 . 20 1 1 A 64 64 VAL N N 64 122.413 122.732 -0.319 1 1 789 . 20 1 1 A 65 65 ASP H H 65 8.391 8.106 0.285 1 1 790 . 20 1 1 A 65 65 ASP HA H 65 4.841 4.679 0.162 1 1 793 . 20 1 1 A 65 65 ASP C C 65 174.854 175.759 -0.905 1 1 794 . 20 1 1 A 65 65 ASP CA C 65 53.483 53.276 0.207 1 1 795 . 20 1 1 A 65 65 ASP CB C 65 40.114 40.284 -0.170 1 1 796 . 20 1 1 A 65 65 ASP N N 65 119.308 118.170 1.138 1 1 797 . 20 1 1 A 66 66 LEU H H 66 7.517 7.131 0.386 1 1 798 . 20 1 1 A 66 66 LEU HA H 66 3.962 4.155 -0.193 1 1 808 . 20 1 1 A 66 66 LEU C C 66 176.708 177.363 -0.655 1 1 809 . 20 1 1 A 66 66 LEU CA C 66 57.471 56.382 1.089 1 1 810 . 20 1 1 A 66 66 LEU CB C 66 43.322 42.814 0.508 1 1 814 . 20 1 1 A 66 66 LEU N N 66 120.009 122.847 -2.838 1 1 815 . 20 1 1 A 67 67 THR H H 67 9.329 10.343 -1.014 1 1 816 . 20 1 1 A 67 67 THR HA H 67 4.363 4.348 0.015 1 1 821 . 20 1 1 A 67 67 THR C C 67 175.145 174.157 0.988 1 1 822 . 20 1 1 A 67 67 THR CA C 67 64.019 63.553 0.466 1 1 823 . 20 1 1 A 67 67 THR CB C 67 69.107 69.085 0.022 1 1 825 . 20 1 1 A 67 67 THR N N 67 123.534 120.925 2.609 1 1 826 . 20 1 1 A 68 68 CYS H H 68 7.584 7.022 0.562 1 1 827 . 20 1 1 A 68 68 CYS HA H 68 4.604 4.722 -0.118 1 1 830 . 20 1 1 A 68 68 CYS C C 68 170.528 172.277 -1.749 1 1 831 . 20 1 1 A 68 68 CYS CA C 68 57.402 58.654 -1.252 1 1 832 . 20 1 1 A 68 68 CYS CB C 68 29.175 31.143 -1.968 1 1 833 . 20 1 1 A 68 68 CYS N N 68 115.015 116.076 -1.061 1 1 834 . 20 1 1 A 69 69 LEU H H 69 8.730 8.659 0.071 1 1 835 . 20 1 1 A 69 69 LEU HA H 69 5.411 5.051 0.360 1 1 845 . 20 1 1 A 69 69 LEU C C 69 176.356 175.787 0.569 1 1 846 . 20 1 1 A 69 69 LEU CA C 69 54.242 54.006 0.236 1 1 847 . 20 1 1 A 69 69 LEU CB C 69 44.885 45.509 -0.624 1 1 851 . 20 1 1 A 69 69 LEU N N 69 125.633 122.782 2.851 1 1 852 . 20 1 1 A 70 70 THR H H 70 9.197 8.692 0.505 1 1 853 . 20 1 1 A 70 70 THR HA H 70 4.702 5.182 -0.480 1 1 858 . 20 1 1 A 70 70 THR C C 70 173.582 173.494 0.088 1 1 859 . 20 1 1 A 70 70 THR CA C 70 60.384 60.001 0.383 1 1 860 . 20 1 1 A 70 70 THR CB C 70 70.870 71.227 -0.357 1 1 862 . 20 1 1 A 70 70 THR N N 70 120.391 117.335 3.056 1 1 863 . 20 1 1 A 71 71 GLU H H 71 8.965 8.899 0.066 1 1 864 . 20 1 1 A 71 71 GLU HA H 71 4.685 5.347 -0.662 1 1 869 . 20 1 1 A 71 71 GLU C C 71 175.957 175.551 0.406 1 1 870 . 20 1 1 A 71 71 GLU CA C 71 56.254 54.657 1.597 1 1 871 . 20 1 1 A 71 71 GLU CB C 71 31.396 32.232 -0.836 1 1 873 . 20 1 1 A 71 71 GLU N N 71 124.718 120.263 4.455 1 1 874 . 20 1 1 A 72 72 GLN H H 72 8.318 8.617 -0.299 1 1 875 . 20 1 1 A 72 72 GLN HA H 72 4.629 4.505 0.124 1 1 882 . 20 1 1 A 72 72 GLN C C 72 175.254 175.829 -0.575 1 1 883 . 20 1 1 A 72 72 GLN CA C 72 55.336 56.186 -0.850 1 1 884 . 20 1 1 A 72 72 GLN CB C 72 30.533 29.277 1.256 1 1 886 . 20 1 1 A 72 72 GLN N N 72 123.543 124.131 -0.588 1 1 888 . 20 1 1 A 73 73 ASN H H 73 8.670 8.647 0.023 1 1 889 . 20 1 1 A 73 73 ASN HA H 73 4.688 4.700 -0.012 1 1 894 . 20 1 1 A 73 73 ASN C C 73 175.229 174.494 0.735 1 1 895 . 20 1 1 A 73 73 ASN CA C 73 53.607 53.716 -0.109 1 1 896 . 20 1 1 A 73 73 ASN CB C 73 39.169 39.056 0.113 1 1 897 . 20 1 1 A 73 73 ASN N N 73 120.534 124.086 -3.552 1 1 899 . 20 1 1 A 74 74 SER H H 74 8.641 8.931 -0.290 1 1 900 . 20 1 1 A 74 74 SER HA H 74 4.652 5.122 -0.470 1 1 903 . 20 1 1 A 74 74 SER C C 74 175.121 173.001 2.120 1 1 904 . 20 1 1 A 74 74 SER CA C 74 58.409 57.723 0.686 1 1 905 . 20 1 1 A 74 74 SER CB C 74 64.401 65.933 -1.532 1 1 906 . 20 1 1 A 74 74 SER N N 74 117.448 117.956 -0.508 1 1 907 . 20 1 1 A 75 75 THR HA H 75 4.282 4.314 -0.032 1 1 912 . 20 1 1 A 75 75 THR C C 75 174.878 175.058 -0.180 1 1 913 . 20 1 1 A 75 75 THR CA C 75 62.819 63.358 -0.539 1 1 914 . 20 1 1 A 75 75 THR CB C 75 69.061 69.415 -0.354 1 1 916 . 20 1 1 A 76 76 GLU H H 76 8.156 8.714 -0.558 1 1 917 . 20 1 1 A 76 76 GLU HA H 76 4.350 4.191 0.159 1 1 922 . 20 1 1 A 76 76 GLU C C 76 176.138 175.436 0.702 1 1 923 . 20 1 1 A 76 76 GLU CA C 76 56.202 58.680 -2.478 1 1 924 . 20 1 1 A 76 76 GLU CB C 76 30.532 28.804 1.728 1 1 926 . 20 1 1 A 76 76 GLU N N 76 122.220 122.009 0.211 1 1 927 . 20 1 1 A 77 77 LYS H H 77 8.443 8.534 -0.091 1 1 928 . 20 1 1 A 77 77 LYS HA H 77 4.221 4.109 0.112 1 1 937 . 20 1 1 A 77 77 LYS C C 77 176.465 176.816 -0.351 1 1 938 . 20 1 1 A 77 77 LYS CA C 77 56.730 56.681 0.049 1 1 939 . 20 1 1 A 77 77 LYS CB C 77 32.301 31.708 0.593 1 1 943 . 20 1 1 A 77 77 LYS N N 77 122.162 123.197 -1.035 1 1 944 . 20 1 1 A 78 78 ASN H H 78 8.621 8.518 0.103 1 1 945 . 20 1 1 A 78 78 ASN HA H 78 4.641 5.225 -0.584 1 1 950 . 20 1 1 A 78 78 ASN C C 78 173.485 174.750 -1.265 1 1 951 . 20 1 1 A 78 78 ASN CA C 78 53.748 51.904 1.844 1 1 952 . 20 1 1 A 78 78 ASN CB C 78 38.058 42.100 -4.042 1 1 953 . 20 1 1 A 78 78 ASN N N 78 116.583 122.567 -5.984 1 1 955 . 20 1 1 A 79 79 CYS H H 79 7.551 8.541 -0.990 1 1 956 . 20 1 1 A 79 79 CYS HA H 79 4.371 4.337 0.034 1 1 959 . 20 1 1 A 79 79 CYS C C 79 172.515 174.390 -1.875 1 1 960 . 20 1 1 A 79 79 CYS CA C 79 57.295 59.097 -1.802 1 1 961 . 20 1 1 A 79 79 CYS CB C 79 29.628 28.550 1.078 1 1 962 . 20 1 1 A 79 79 CYS N N 79 112.640 121.252 -8.612 1 1 963 . 20 1 1 A 80 80 ALA H H 80 7.642 8.345 -0.703 1 1 964 . 20 1 1 A 80 80 ALA HA H 80 4.727 4.518 0.209 1 1 968 . 20 1 1 A 80 80 ALA C C 80 175.314 176.552 -1.238 1 1 969 . 20 1 1 A 80 80 ALA CA C 80 51.330 51.880 -0.550 1 1 970 . 20 1 1 A 80 80 ALA CB C 80 21.896 19.437 2.459 1 1 971 . 20 1 1 A 80 80 ALA N N 80 124.099 124.964 -0.865 1 1 972 . 20 1 1 A 81 81 LYS H H 81 8.459 8.713 -0.254 1 1 973 . 20 1 1 A 81 81 LYS HA H 81 5.112 4.659 0.453 1 1 982 . 20 1 1 A 81 81 LYS C C 81 174.781 175.449 -0.668 1 1 983 . 20 1 1 A 81 81 LYS CA C 81 55.283 54.576 0.707 1 1 984 . 20 1 1 A 81 81 LYS CB C 81 36.133 34.329 1.804 1 1 988 . 20 1 1 A 81 81 LYS N N 81 119.796 123.741 -3.945 1 1 989 . 20 1 1 A 82 82 PHE H H 82 8.748 8.222 0.526 1 1 990 . 20 1 1 A 82 82 PHE HA H 82 5.513 5.721 -0.208 1 1 998 . 20 1 1 A 82 82 PHE C C 82 174.357 172.661 1.696 1 1 999 . 20 1 1 A 82 82 PHE CA C 82 55.643 56.016 -0.373 1 1 1000 . 20 1 1 A 82 82 PHE CB C 82 42.089 42.397 -0.308 1 1 1006 . 20 1 1 A 82 82 PHE N N 82 119.073 119.916 -0.843 1 1 1007 . 20 1 1 A 83 83 THR H H 83 9.290 8.416 0.874 1 1 1008 . 20 1 1 A 83 83 THR HA H 83 5.032 5.079 -0.047 1 1 1013 . 20 1 1 A 83 83 THR C C 83 173.472 174.276 -0.804 1 1 1014 . 20 1 1 A 83 83 THR CA C 83 62.113 61.465 0.648 1 1 1015 . 20 1 1 A 83 83 THR CB C 83 71.076 70.715 0.361 1 1 1017 . 20 1 1 A 83 83 THR N N 83 116.845 116.180 0.665 1 1 1018 . 20 1 1 A 84 84 LEU H H 84 9.502 9.355 0.147 1 1 1019 . 20 1 1 A 84 84 LEU HA H 84 4.691 4.688 0.003 1 1 1029 . 20 1 1 A 84 84 LEU C C 84 174.308 176.058 -1.750 1 1 1030 . 20 1 1 A 84 84 LEU CA C 84 54.224 54.231 -0.007 1 1 1031 . 20 1 1 A 84 84 LEU CB C 84 41.636 41.372 0.264 1 1 1035 . 20 1 1 A 84 84 LEU N N 84 125.923 128.511 -2.588 1 1 1036 . 20 1 1 A 85 85 VAL H H 85 8.620 8.573 0.047 1 1 1037 . 20 1 1 A 85 85 VAL HA H 85 4.151 4.430 -0.279 1 1 1045 . 20 1 1 A 85 85 VAL C C 85 174.188 175.195 -1.007 1 1 1046 . 20 1 1 A 85 85 VAL CA C 85 63.649 62.339 1.310 1 1 1047 . 20 1 1 A 85 85 VAL CB C 85 30.861 31.417 -0.556 1 1 1050 . 20 1 1 A 85 85 VAL N N 85 126.007 125.415 0.592 1 1 1051 . 20 1 1 A 86 86 LEU H H 86 8.534 8.782 -0.248 1 1 1052 . 20 1 1 A 86 86 LEU HA H 86 4.853 4.790 0.063 1 1 1062 . 20 1 1 A 86 86 LEU C C 86 174.878 176.693 -1.815 1 1 1063 . 20 1 1 A 86 86 LEU CA C 86 53.183 52.095 1.088 1 1 1064 . 20 1 1 A 86 86 LEU CB C 86 40.485 43.925 -3.440 1 1 1068 . 20 1 1 A 86 86 LEU N N 86 129.551 128.396 1.155 1 1 1069 . 20 1 1 A 87 87 PRO HA H 87 4.221 4.544 -0.323 1 1 1076 . 20 1 1 A 87 87 PRO C C 87 178.223 177.079 1.144 1 1 1077 . 20 1 1 A 87 87 PRO CA C 87 66.455 64.174 2.281 1 1 1078 . 20 1 1 A 87 87 PRO CB C 87 32.260 31.693 0.567 1 1 1081 . 20 1 1 A 88 88 LYS H H 88 8.414 8.211 0.203 1 1 1082 . 20 1 1 A 88 88 LYS HA H 88 4.548 4.393 0.155 1 1 1091 . 20 1 1 A 88 88 LYS C C 88 176.187 176.602 -0.415 1 1 1092 . 20 1 1 A 88 88 LYS CA C 88 55.071 57.014 -1.943 1 1 1093 . 20 1 1 A 88 88 LYS CB C 88 33.534 34.141 -0.607 1 1 1097 . 20 1 1 A 88 88 LYS N N 88 110.404 116.723 -6.319 1 1 1098 . 20 1 1 A 89 89 GLU H H 89 7.208 7.760 -0.552 1 1 1099 . 20 1 1 A 89 89 GLU HA H 89 4.561 4.728 -0.167 1 1 1104 . 20 1 1 A 89 89 GLU C C 89 172.527 174.327 -1.800 1 1 1105 . 20 1 1 A 89 89 GLU CA C 89 56.007 55.705 0.302 1 1 1106 . 20 1 1 A 89 89 GLU CB C 89 33.082 33.603 -0.521 1 1 1108 . 20 1 1 A 89 89 GLU N N 89 116.828 114.912 1.916 1 1 1109 . 20 1 1 A 90 90 GLU H H 90 8.321 8.587 -0.266 1 1 1110 . 20 1 1 A 90 90 GLU HA H 90 5.249 5.331 -0.082 1 1 1115 . 20 1 1 A 90 90 GLU C C 90 176.296 175.765 0.531 1 1 1116 . 20 1 1 A 90 90 GLU CA C 90 54.860 55.869 -1.009 1 1 1117 . 20 1 1 A 90 90 GLU CB C 90 31.972 31.861 0.111 1 1 1119 . 20 1 1 A 90 90 GLU N N 90 119.609 124.485 -4.876 1 1 1120 . 20 1 1 A 91 91 VAL H H 91 8.972 8.339 0.633 1 1 1121 . 20 1 1 A 91 91 VAL HA H 91 4.352 4.701 -0.349 1 1 1129 . 20 1 1 A 91 91 VAL C C 91 174.284 174.369 -0.085 1 1 1130 . 20 1 1 A 91 91 VAL CA C 91 61.284 60.116 1.168 1 1 1131 . 20 1 1 A 91 91 VAL CB C 91 34.891 35.568 -0.677 1 1 1134 . 20 1 1 A 91 91 VAL N N 91 123.947 120.736 3.211 1 1 1135 . 20 1 1 A 92 92 GLN H H 92 8.241 8.507 -0.266 1 1 1136 . 20 1 1 A 92 92 GLN HA H 92 4.930 4.953 -0.023 1 1 1143 . 20 1 1 A 92 92 GLN C C 92 174.115 174.996 -0.881 1 1 1144 . 20 1 1 A 92 92 GLN CA C 92 55.583 55.107 0.476 1 1 1145 . 20 1 1 A 92 92 GLN CB C 92 30.121 30.248 -0.127 1 1 1147 . 20 1 1 A 92 92 GLN N N 92 125.869 125.357 0.512 1 1 1149 . 20 1 1 A 93 93 LEU H H 93 9.145 8.869 0.276 1 1 1150 . 20 1 1 A 93 93 LEU HA H 93 5.456 5.070 0.386 1 1 1160 . 20 1 1 A 93 93 LEU C C 93 176.256 175.458 0.798 1 1 1161 . 20 1 1 A 93 93 LEU CA C 93 53.801 53.388 0.413 1 1 1162 . 20 1 1 A 93 93 LEU CB C 93 45.913 46.187 -0.274 1 1 1166 . 20 1 1 A 93 93 LEU N N 93 123.952 125.794 -1.842 1 1 1167 . 20 1 1 A 94 94 LYS H H 94 9.255 8.321 0.934 1 1 1168 . 20 1 1 A 94 94 LYS HA H 94 5.452 4.437 1.015 1 1 1177 . 20 1 1 A 94 94 LYS C C 94 174.563 174.079 0.484 1 1 1178 . 20 1 1 A 94 94 LYS CA C 94 54.718 55.118 -0.400 1 1 1179 . 20 1 1 A 94 94 LYS CB C 94 36.571 36.422 0.149 1 1 1183 . 20 1 1 A 94 94 LYS N N 94 124.618 120.871 3.747 1 1 1184 . 20 1 1 A 95 95 THR H H 95 8.582 8.232 0.350 1 1 1185 . 20 1 1 A 95 95 THR HA H 95 4.946 4.947 -0.001 1 1 1190 . 20 1 1 A 95 95 THR C C 95 175.278 174.315 0.963 1 1 1191 . 20 1 1 A 95 95 THR CA C 95 59.908 59.379 0.529 1 1 1192 . 20 1 1 A 95 95 THR CB C 95 70.917 72.113 -1.196 1 1 1194 . 20 1 1 A 95 95 THR N N 95 112.788 113.572 -0.784 1 1 1195 . 20 1 1 A 96 96 GLU H H 96 9.033 8.867 0.166 1 1 1196 . 20 1 1 A 96 96 GLU HA H 96 4.321 4.372 -0.051 1 1 1201 . 20 1 1 A 96 96 GLU C C 96 175.435 176.622 -1.187 1 1 1202 . 20 1 1 A 96 96 GLU CA C 96 57.595 58.624 -1.029 1 1 1203 . 20 1 1 A 96 96 GLU CB C 96 30.656 30.000 0.656 1 1 1205 . 20 1 1 A 96 96 GLU N N 96 117.745 120.414 -2.669 1 1 1206 . 20 1 1 A 97 97 ASN H H 97 7.562 8.023 -0.461 1 1 1207 . 20 1 1 A 97 97 ASN HA H 97 5.074 4.904 0.170 1 1 1212 . 20 1 1 A 97 97 ASN C C 97 176.575 175.645 0.930 1 1 1213 . 20 1 1 A 97 97 ASN CA C 97 52.195 52.498 -0.303 1 1 1214 . 20 1 1 A 97 97 ASN CB C 97 40.485 40.534 -0.049 1 1 1215 . 20 1 1 A 97 97 ASN N N 97 110.462 116.607 -6.145 1 1 1217 . 20 1 1 A 98 98 THR HA H 98 3.916 3.920 -0.004 1 1 1222 . 20 1 1 A 98 98 THR C C 98 176.938 176.347 0.591 1 1 1223 . 20 1 1 A 98 98 THR CA C 98 66.349 67.303 -0.954 1 1 1224 . 20 1 1 A 98 98 THR CB C 98 68.638 68.668 -0.030 1 1 1226 . 20 1 1 A 99 99 GLU H H 99 9.316 8.418 0.898 1 1 1227 . 20 1 1 A 99 99 GLU HA H 99 4.221 4.054 0.167 1 1 1232 . 20 1 1 A 99 99 GLU C C 99 179.241 178.693 0.548 1 1 1233 . 20 1 1 A 99 99 GLU CA C 99 60.754 59.472 1.282 1 1 1234 . 20 1 1 A 99 99 GLU CB C 99 28.764 29.463 -0.699 1 1 1236 . 20 1 1 A 99 99 GLU N N 99 125.868 119.982 5.886 1 1 1237 . 20 1 1 A 100 100 SER H H 100 8.739 8.545 0.194 1 1 1238 . 20 1 1 A 100 100 SER HA H 100 4.863 4.392 0.471 1 1 1241 . 20 1 1 A 100 100 SER C C 100 177.411 177.372 0.039 1 1 1242 . 20 1 1 A 100 100 SER CA C 100 61.037 61.544 -0.507 1 1 1243 . 20 1 1 A 100 100 SER CB C 100 63.879 62.840 1.039 1 1 1244 . 20 1 1 A 100 100 SER N N 100 114.755 114.519 0.236 1 1 1245 . 20 1 1 A 101 101 GLY H H 101 7.879 8.388 -0.509 1 1 1246 . 20 1 1 A 101 101 GLY HA2 H 101 4.139 3.862 0.277 1 1 1247 . 20 1 1 A 101 101 GLY HA3 H 101 4.012 3.972 0.040 1 1 1248 . 20 1 1 A 101 101 GLY C C 101 174.611 175.914 -1.303 1 1 1249 . 20 1 1 A 101 101 GLY CA C 101 48.948 47.432 1.516 1 1 1250 . 20 1 1 A 101 101 GLY N N 101 108.940 110.798 -1.858 1 1 1251 . 20 1 1 A 102 102 GLU H H 102 7.801 7.768 0.033 1 1 1252 . 20 1 1 A 102 102 GLU HA H 102 4.171 4.028 0.143 1 1 1257 . 20 1 1 A 102 102 GLU C C 102 179.084 179.323 -0.239 1 1 1258 . 20 1 1 A 102 102 GLU CA C 102 58.601 59.283 -0.682 1 1 1259 . 20 1 1 A 102 102 GLU CB C 102 29.627 29.181 0.446 1 1 1261 . 20 1 1 A 102 102 GLU N N 102 120.720 121.274 -0.554 1 1 1262 . 20 1 1 A 103 103 GLU H H 103 7.781 8.212 -0.431 1 1 1263 . 20 1 1 A 103 103 GLU HA H 103 3.739 3.729 0.010 1 1 1268 . 20 1 1 A 103 103 GLU C C 103 178.235 178.860 -0.625 1 1 1269 . 20 1 1 A 103 103 GLU CA C 103 60.366 58.904 1.462 1 1 1270 . 20 1 1 A 103 103 GLU CB C 103 30.491 28.905 1.586 1 1 1272 . 20 1 1 A 103 103 GLU N N 103 119.068 119.750 -0.682 1 1 1273 . 20 1 1 A 104 104 TRP H H 104 8.761 8.693 0.068 1 1 1274 . 20 1 1 A 104 104 TRP HA H 104 4.171 4.559 -0.388 1 1 1283 . 20 1 1 A 104 104 TRP C C 104 178.817 178.940 -0.123 1 1 1284 . 20 1 1 A 104 104 TRP CA C 104 62.290 60.273 2.017 1 1 1285 . 20 1 1 A 104 104 TRP CB C 104 29.340 29.515 -0.175 1 1 1291 . 20 1 1 A 104 104 TRP N N 104 118.358 121.088 -2.730 1 1 1293 . 20 1 1 A 105 105 ARG H H 105 8.400 8.547 -0.147 1 1 1294 . 20 1 1 A 105 105 ARG HA H 105 3.481 3.787 -0.306 1 1 1302 . 20 1 1 A 105 105 ARG C C 105 177.666 179.105 -1.439 1 1 1303 . 20 1 1 A 105 105 ARG CA C 105 60.666 59.629 1.037 1 1 1304 . 20 1 1 A 105 105 ARG CB C 105 30.162 30.263 -0.101 1 1 1307 . 20 1 1 A 105 105 ARG N N 105 117.098 119.215 -2.117 1 1 1309 . 20 1 1 A 106 106 GLY H H 106 8.202 8.599 -0.397 1 1 1310 . 20 1 1 A 106 106 GLY HA2 H 106 3.470 3.587 -0.117 1 1 1311 . 20 1 1 A 106 106 GLY HA3 H 106 3.382 3.658 -0.276 1 1 1312 . 20 1 1 A 106 106 GLY C C 106 176.162 176.609 -0.447 1 1 1313 . 20 1 1 A 106 106 GLY CA C 106 47.554 47.150 0.404 1 1 1314 . 20 1 1 A 106 106 GLY N N 106 104.212 107.409 -3.197 1 1 1315 . 20 1 1 A 107 107 PHE H H 107 8.491 8.127 0.364 1 1 1316 . 20 1 1 A 107 107 PHE HA H 107 3.722 4.513 -0.791 1 1 1324 . 20 1 1 A 107 107 PHE C C 107 177.265 178.097 -0.832 1 1 1325 . 20 1 1 A 107 107 PHE CA C 107 64.284 58.761 5.523 1 1 1326 . 20 1 1 A 107 107 PHE CB C 107 39.209 37.724 1.485 1 1 1332 . 20 1 1 A 107 107 PHE N N 107 122.710 120.668 2.042 1 1 1333 . 20 1 1 A 108 108 ILE H H 108 8.674 9.285 -0.611 1 1 1334 . 20 1 1 A 108 108 ILE HA H 108 3.523 3.712 -0.189 1 1 1344 . 20 1 1 A 108 108 ILE C C 108 178.623 178.061 0.562 1 1 1345 . 20 1 1 A 108 108 ILE CA C 108 66.384 65.157 1.227 1 1 1346 . 20 1 1 A 108 108 ILE CB C 108 37.852 37.925 -0.073 1 1 1350 . 20 1 1 A 108 108 ILE N N 108 117.395 120.733 -3.338 1 1 1351 . 20 1 1 A 109 109 LEU H H 109 8.378 8.965 -0.587 1 1 1352 . 20 1 1 A 109 109 LEU HA H 109 4.032 4.333 -0.301 1 1 1362 . 20 1 1 A 109 109 LEU C C 109 178.635 179.675 -1.040 1 1 1363 . 20 1 1 A 109 109 LEU CA C 109 57.878 57.650 0.228 1 1 1364 . 20 1 1 A 109 109 LEU CB C 109 40.854 41.602 -0.748 1 1 1368 . 20 1 1 A 109 109 LEU N N 109 118.573 119.140 -0.567 1 1 1369 . 20 1 1 A 110 110 THR H H 110 7.600 7.360 0.240 1 1 1370 . 20 1 1 A 110 110 THR HA H 110 4.110 4.558 -0.448 1 1 1375 . 20 1 1 A 110 110 THR C C 110 177.265 176.006 1.259 1 1 1376 . 20 1 1 A 110 110 THR CA C 110 68.325 65.998 2.327 1 1 1377 . 20 1 1 A 110 110 THR CB C 110 68.230 69.068 -0.838 1 1 1379 . 20 1 1 A 110 110 THR N N 110 115.926 115.059 0.867 1 1 1380 . 20 1 1 A 111 111 VAL H H 111 7.490 7.826 -0.336 1 1 1381 . 20 1 1 A 111 111 VAL HA H 111 3.912 4.137 -0.225 1 1 1389 . 20 1 1 A 111 111 VAL C C 111 174.793 176.688 -1.895 1 1 1390 . 20 1 1 A 111 111 VAL CA C 111 64.601 61.196 3.405 1 1 1391 . 20 1 1 A 111 111 VAL CB C 111 32.007 31.576 0.431 1 1 1394 . 20 1 1 A 111 111 VAL N N 111 109.123 115.283 -6.160 1 1 1395 . 20 1 1 A 112 112 THR H H 112 7.410 7.639 -0.229 1 1 1396 . 20 1 1 A 112 112 THR HA H 112 4.494 4.597 -0.103 1 1 1401 . 20 1 1 A 112 112 THR C C 112 177.265 175.524 1.741 1 1 1402 . 20 1 1 A 112 112 THR CA C 112 62.784 62.130 0.654 1 1 1403 . 20 1 1 A 112 112 THR CB C 112 69.290 70.355 -1.065 1 1 1405 . 20 1 1 A 112 112 THR N N 112 107.046 112.161 -5.115 1 1 1406 . 20 1 1 A 113 113 GLU H H 113 8.541 8.329 0.212 1 1 1407 . 20 1 1 A 113 113 GLU HA H 113 4.280 4.308 -0.028 1 1 1412 . 20 1 1 A 113 113 GLU C C 113 176.745 175.866 0.879 1 1 1413 . 20 1 1 A 113 113 GLU CA C 113 57.048 56.397 0.651 1 1 1414 . 20 1 1 A 113 113 GLU CB C 113 29.422 30.452 -1.030 1 1 1416 . 20 1 1 A 113 113 GLU N N 113 120.888 120.047 0.841 1 1 1417 . 20 1 1 A 114 114 LEU H H 114 7.561 7.596 -0.035 1 1 1418 . 20 1 1 A 114 114 LEU HA H 114 4.042 3.927 0.115 1 1 1428 . 20 1 1 A 114 114 LEU C C 114 175.569 175.299 0.270 1 1 1429 . 20 1 1 A 114 114 LEU CA C 114 55.213 56.388 -1.175 1 1 1430 . 20 1 1 A 114 114 LEU CB C 114 38.182 40.144 -1.962 1 1 1434 . 20 1 1 A 114 114 LEU N N 114 114.453 119.152 -4.699 1 1 1435 . 20 1 1 A 115 115 SER H H 115 7.113 7.688 -0.575 1 1 1436 . 20 1 1 A 115 115 SER HA H 115 4.315 4.689 -0.374 1 1 1439 . 20 1 1 A 115 115 SER C C 115 173.521 172.131 1.390 1 1 1440 . 20 1 1 A 115 115 SER CA C 115 57.454 55.747 1.707 1 1 1441 . 20 1 1 A 115 115 SER CB C 115 64.505 64.871 -0.366 1 1 1442 . 20 1 1 A 115 115 SER N N 115 110.010 112.419 -2.409 1 1 1443 . 20 1 1 A 116 116 VAL H H 116 8.635 8.521 0.114 1 1 1444 . 20 1 1 A 116 116 VAL HA H 116 4.210 4.448 -0.238 1 1 1452 . 20 1 1 A 116 116 VAL C C 116 175.024 174.073 0.951 1 1 1453 . 20 1 1 A 116 116 VAL CA C 116 60.948 58.847 2.101 1 1 1454 . 20 1 1 A 116 116 VAL CB C 116 32.177 35.009 -2.832 1 1 1457 . 20 1 1 A 116 116 VAL N N 116 129.442 121.481 7.961 1 1 1458 . 20 1 1 A 117 117 PRO HA H 117 4.381 4.698 -0.317 1 1 1465 . 20 1 1 A 117 117 PRO C C 117 176.478 176.795 -0.317 1 1 1466 . 20 1 1 A 117 117 PRO CA C 117 62.678 62.581 0.097 1 1 1467 . 20 1 1 A 117 117 PRO CB C 117 31.931 32.653 -0.722 1 1 1470 . 20 1 1 A 118 118 GLN H H 118 8.576 8.825 -0.249 1 1 1471 . 20 1 1 A 118 118 GLN HA H 118 4.282 4.422 -0.140 1 1 1478 . 20 1 1 A 118 118 GLN C C 118 176.575 176.769 -0.194 1 1 1479 . 20 1 1 A 118 118 GLN CA C 118 55.866 56.248 -0.382 1 1 1480 . 20 1 1 A 118 118 GLN CB C 118 29.704 29.489 0.215 1 1 1482 . 20 1 1 A 118 118 GLN N N 118 118.498 120.049 -1.551 1 1 1484 . 20 1 1 A 119 119 ASN H H 119 8.444 7.903 0.541 1 1 1485 . 20 1 1 A 119 119 ASN HA H 119 4.727 4.837 -0.110 1 1 1490 . 20 1 1 A 119 119 ASN C C 119 174.842 173.807 1.035 1 1 1491 . 20 1 1 A 119 119 ASN CA C 119 52.812 52.836 -0.024 1 1 1492 . 20 1 1 A 119 119 ASN CB C 119 37.071 38.644 -1.573 1 1 1493 . 20 1 1 A 119 119 ASN N N 119 117.223 116.667 0.556 1 1 1495 . 20 1 1 A 120 120 VAL H H 120 7.182 7.538 -0.356 1 1 1496 . 20 1 1 A 120 120 VAL HA H 120 4.381 4.520 -0.139 1 1 1504 . 20 1 1 A 120 120 VAL C C 120 175.484 175.528 -0.044 1 1 1505 . 20 1 1 A 120 120 VAL CA C 120 60.048 60.125 -0.077 1 1 1506 . 20 1 1 A 120 120 VAL CB C 120 34.028 34.369 -0.341 1 1 1509 . 20 1 1 A 120 120 VAL N N 120 114.038 116.406 -2.368 1 1 1510 . 20 1 1 A 121 121 SER H H 121 9.313 8.735 0.578 1 1 1511 . 20 1 1 A 121 121 SER HA H 121 4.552 4.377 0.175 1 1 1514 . 20 1 1 A 121 121 SER C C 121 173.096 174.220 -1.124 1 1 1515 . 20 1 1 A 121 121 SER CA C 121 57.119 59.348 -2.229 1 1 1516 . 20 1 1 A 121 121 SER CB C 121 62.528 63.695 -1.167 1 1 1517 . 20 1 1 A 121 121 SER N N 121 122.117 117.835 4.282 1 1 1518 . 20 1 1 A 122 122 LEU H H 122 7.470 7.402 0.068 1 1 1519 . 20 1 1 A 122 122 LEU HA H 122 4.618 4.099 0.519 1 1 1529 . 20 1 1 A 122 122 LEU C C 122 176.526 177.385 -0.859 1 1 1530 . 20 1 1 A 122 122 LEU CA C 122 52.795 55.316 -2.521 1 1 1531 . 20 1 1 A 122 122 LEU CB C 122 45.790 43.177 2.613 1 1 1535 . 20 1 1 A 122 122 LEU N N 122 122.878 122.840 0.038 1 1 1536 . 20 1 1 A 123 123 LEU H H 123 8.765 8.383 0.382 1 1 1537 . 20 1 1 A 123 123 LEU HA H 123 4.574 4.374 0.200 1 1 1547 . 20 1 1 A 123 123 LEU C C 123 176.769 176.786 -0.017 1 1 1548 . 20 1 1 A 123 123 LEU CA C 123 53.748 53.321 0.427 1 1 1549 . 20 1 1 A 123 123 LEU CB C 123 40.649 41.396 -0.747 1 1 1553 . 20 1 1 A 123 123 LEU N N 123 122.054 123.459 -1.405 1 1 1554 . 20 1 1 A 124 124 PRO HA H 124 4.232 4.488 -0.256 1 1 1561 . 20 1 1 A 124 124 PRO CA C 124 66.281 64.042 2.239 1 1 1562 . 20 1 1 A 124 124 PRO CB C 124 31.945 31.736 0.209 1 1 1565 . 20 1 1 A 125 125 GLY HA2 H 125 3.901 3.902 -0.001 1 1 1566 . 20 1 1 A 125 125 GLY HA3 H 125 3.901 3.902 -0.001 1 1 1567 . 20 1 1 A 125 125 GLY C C 125 176.696 175.889 0.807 1 1 1568 . 20 1 1 A 125 125 GLY CA C 125 46.724 46.394 0.330 1 1 1569 . 20 1 1 A 126 126 GLN H H 126 7.495 7.863 -0.368 1 1 1570 . 20 1 1 A 126 126 GLN HA H 126 4.261 4.009 0.252 1 1 1577 . 20 1 1 A 126 126 GLN C C 126 178.235 178.088 0.147 1 1 1578 . 20 1 1 A 126 126 GLN CA C 126 57.807 58.639 -0.832 1 1 1579 . 20 1 1 A 126 126 GLN CB C 126 30.039 28.289 1.750 1 1 1581 . 20 1 1 A 126 126 GLN N N 126 120.404 122.177 -1.773 1 1 1583 . 20 1 1 A 127 127 VAL H H 127 7.839 7.795 0.044 1 1 1584 . 20 1 1 A 127 127 VAL HA H 127 3.360 3.487 -0.127 1 1 1592 . 20 1 1 A 127 127 VAL C C 127 178.441 178.148 0.293 1 1 1593 . 20 1 1 A 127 127 VAL CA C 127 67.231 65.746 1.485 1 1 1594 . 20 1 1 A 127 127 VAL CB C 127 31.948 31.537 0.411 1 1 1597 . 20 1 1 A 127 127 VAL N N 127 121.180 119.850 1.330 1 1 1598 . 20 1 1 A 128 128 ILE H H 128 7.725 8.343 -0.618 1 1 1599 . 20 1 1 A 128 128 ILE HA H 128 3.820 3.600 0.220 1 1 1609 . 20 1 1 A 128 128 ILE C C 128 178.599 178.038 0.561 1 1 1610 . 20 1 1 A 128 128 ILE CA C 128 64.978 65.870 -0.892 1 1 1611 . 20 1 1 A 128 128 ILE CB C 128 37.976 37.824 0.152 1 1 1615 . 20 1 1 A 128 128 ILE N N 128 119.369 120.993 -1.624 1 1 1616 . 20 1 1 A 129 129 LYS H H 129 7.204 8.350 -1.146 1 1 1617 . 20 1 1 A 129 129 LYS HA H 129 4.241 4.004 0.237 1 1 1626 . 20 1 1 A 129 129 LYS C C 129 178.902 179.282 -0.380 1 1 1627 . 20 1 1 A 129 129 LYS CA C 129 58.690 59.427 -0.737 1 1 1628 . 20 1 1 A 129 129 LYS CB C 129 31.725 32.342 -0.617 1 1 1632 . 20 1 1 A 129 129 LYS N N 129 119.356 119.084 0.272 1 1 1633 . 20 1 1 A 130 130 LEU H H 130 7.750 7.909 -0.159 1 1 1634 . 20 1 1 A 130 130 LEU HA H 130 3.649 3.934 -0.285 1 1 1644 . 20 1 1 A 130 130 LEU C C 130 178.756 179.115 -0.359 1 1 1645 . 20 1 1 A 130 130 LEU CA C 130 57.913 57.818 0.095 1 1 1646 . 20 1 1 A 130 130 LEU CB C 130 40.197 41.285 -1.088 1 1 1650 . 20 1 1 A 130 130 LEU N N 130 118.271 119.599 -1.328 1 1 1651 . 20 1 1 A 131 131 HIS H H 131 7.732 7.951 -0.219 1 1 1652 . 20 1 1 A 131 131 HIS HA H 131 3.918 4.226 -0.308 1 1 1657 . 20 1 1 A 131 131 HIS C C 131 178.392 177.781 0.611 1 1 1658 . 20 1 1 A 131 131 HIS CA C 131 61.019 59.782 1.237 1 1 1659 . 20 1 1 A 131 131 HIS CB C 131 29.951 30.036 -0.085 1 1 1662 . 20 1 1 A 131 131 HIS N N 131 117.308 117.502 -0.194 1 1 1663 . 20 1 1 A 132 132 GLU H H 132 8.030 8.786 -0.756 1 1 1664 . 20 1 1 A 132 132 GLU HA H 132 4.097 3.949 0.148 1 1 1669 . 20 1 1 A 132 132 GLU C C 132 179.907 179.198 0.709 1 1 1670 . 20 1 1 A 132 132 GLU CA C 132 59.660 59.365 0.295 1 1 1671 . 20 1 1 A 132 132 GLU CB C 132 29.627 29.470 0.157 1 1 1673 . 20 1 1 A 132 132 GLU N N 132 121.443 118.967 2.476 1 1 1674 . 20 1 1 A 133 133 VAL H H 133 8.250 8.952 -0.702 1 1 1675 . 20 1 1 A 133 133 VAL HA H 133 3.352 3.190 0.162 1 1 1683 . 20 1 1 A 133 133 VAL C C 133 176.575 177.940 -1.365 1 1 1684 . 20 1 1 A 133 133 VAL CA C 133 66.367 66.154 0.213 1 1 1685 . 20 1 1 A 133 133 VAL CB C 133 31.203 31.223 -0.020 1 1 1688 . 20 1 1 A 133 133 VAL N N 133 121.281 120.225 1.056 1 1 1689 . 20 1 1 A 134 134 LEU H H 134 8.259 8.127 0.132 1 1 1690 . 20 1 1 A 134 134 LEU HA H 134 3.645 3.853 -0.208 1 1 1700 . 20 1 1 A 134 134 LEU C C 134 177.980 178.243 -0.263 1 1 1701 . 20 1 1 A 134 134 LEU CA C 134 58.154 58.737 -0.583 1 1 1702 . 20 1 1 A 134 134 LEU CB C 134 40.320 41.993 -1.673 1 1 1706 . 20 1 1 A 134 134 LEU N N 134 120.134 120.435 -0.301 1 1 1707 . 20 1 1 A 135 135 GLU H H 135 7.611 8.029 -0.418 1 1 1708 . 20 1 1 A 135 135 GLU HA H 135 3.972 4.075 -0.103 1 1 1713 . 20 1 1 A 135 135 GLU C C 135 179.834 178.783 1.051 1 1 1714 . 20 1 1 A 135 135 GLU CA C 135 59.325 59.292 0.033 1 1 1715 . 20 1 1 A 135 135 GLU CB C 135 29.134 29.259 -0.125 1 1 1717 . 20 1 1 A 135 135 GLU N N 135 116.026 117.575 -1.549 1 1 1718 . 20 1 1 A 136 136 ARG H H 136 7.789 8.301 -0.512 1 1 1719 . 20 1 1 A 136 136 ARG HA H 136 4.140 4.116 0.024 1 1 1726 . 20 1 1 A 136 136 ARG C C 136 179.083 178.954 0.129 1 1 1727 . 20 1 1 A 136 136 ARG CA C 136 59.131 59.828 -0.697 1 1 1728 . 20 1 1 A 136 136 ARG CB C 136 30.368 30.223 0.145 1 1 1731 . 20 1 1 A 136 136 ARG N N 136 119.681 119.401 0.280 1 1 1732 . 20 1 1 A 137 137 GLU H H 137 9.238 8.352 0.886 1 1 1733 . 20 1 1 A 137 137 GLU HA H 137 4.637 4.169 0.468 1 1 1738 . 20 1 1 A 137 137 GLU C C 137 178.817 178.908 -0.091 1 1 1739 . 20 1 1 A 137 137 GLU CA C 137 58.036 59.430 -1.394 1 1 1740 . 20 1 1 A 137 137 GLU CB C 137 28.147 28.981 -0.834 1 1 1742 . 20 1 1 A 137 137 GLU N N 137 124.333 118.276 6.057 1 1 1743 . 20 1 1 A 138 138 LYS H H 138 8.788 8.462 0.326 1 1 1744 . 20 1 1 A 138 138 LYS HA H 138 3.899 4.042 -0.143 1 1 1753 . 20 1 1 A 138 138 LYS C C 138 179.944 179.203 0.741 1 1 1754 . 20 1 1 A 138 138 LYS CA C 138 60.754 59.740 1.014 1 1 1755 . 20 1 1 A 138 138 LYS CB C 138 32.789 32.496 0.293 1 1 1759 . 20 1 1 A 138 138 LYS N N 138 119.622 119.727 -0.105 1 1 1760 . 20 1 1 A 139 139 LYS H H 139 7.313 7.840 -0.527 1 1 1761 . 20 1 1 A 139 139 LYS HA H 139 4.070 4.009 0.061 1 1 1770 . 20 1 1 A 139 139 LYS C C 139 178.235 179.052 -0.817 1 1 1771 . 20 1 1 A 139 139 LYS CA C 139 59.166 59.868 -0.702 1 1 1772 . 20 1 1 A 139 139 LYS CB C 139 32.424 32.332 0.092 1 1 1776 . 20 1 1 A 139 139 LYS N N 139 117.326 119.957 -2.631 1 1 1777 . 20 1 1 A 140 140 ARG H H 140 8.344 7.587 0.757 1 1 1778 . 20 1 1 A 140 140 ARG HA H 140 4.080 3.978 0.102 1 1 1786 . 20 1 1 A 140 140 ARG C C 140 179.531 178.838 0.693 1 1 1787 . 20 1 1 A 140 140 ARG CA C 140 59.184 59.936 -0.752 1 1 1788 . 20 1 1 A 140 140 ARG CB C 140 31.190 29.886 1.304 1 1 1791 . 20 1 1 A 140 140 ARG N N 140 121.404 118.876 2.528 1 1 1793 . 20 1 1 A 141 141 ARG H H 141 8.171 8.004 0.167 1 1 1794 . 20 1 1 A 141 141 ARG HA H 141 4.034 4.046 -0.012 1 1 1802 . 20 1 1 A 141 141 ARG C C 141 178.671 178.963 -0.292 1 1 1803 . 20 1 1 A 141 141 ARG CA C 141 58.337 59.006 -0.669 1 1 1804 . 20 1 1 A 141 141 ARG CB C 141 30.327 29.941 0.386 1 1 1807 . 20 1 1 A 141 141 ARG N N 141 115.667 119.084 -3.417 1 1 1809 . 20 1 1 A 142 142 ILE H H 142 7.521 8.540 -1.019 1 1 1810 . 20 1 1 A 142 142 ILE HA H 142 4.074 3.699 0.375 1 1 1820 . 20 1 1 A 142 142 ILE C C 142 177.787 177.980 -0.193 1 1 1821 . 20 1 1 A 142 142 ILE CA C 142 63.178 64.897 -1.719 1 1 1822 . 20 1 1 A 142 142 ILE CB C 142 38.346 37.884 0.462 1 1 1826 . 20 1 1 A 142 142 ILE N N 142 118.031 120.756 -2.725 1 1 1827 . 20 1 1 A 143 143 GLU H H 143 8.041 8.077 -0.036 1 1 1828 . 20 1 1 A 143 143 GLU HA H 143 4.251 4.036 0.215 1 1 1833 . 20 1 1 A 143 143 GLU C C 143 177.217 176.966 0.251 1 1 1834 . 20 1 1 A 143 143 GLU CA C 143 57.595 59.458 -1.863 1 1 1835 . 20 1 1 A 143 143 GLU CB C 143 29.998 29.510 0.488 1 1 1837 . 20 1 1 A 143 143 GLU N N 143 120.963 119.888 1.075 1 1 1838 . 20 1 1 A 144 144 SER H H 144 8.041 7.660 0.381 1 1 1839 . 20 1 1 A 144 144 SER HA H 144 4.538 4.425 0.113 1 1 1842 . 20 1 1 A 144 144 SER C C 144 174.721 172.901 1.820 1 1 1843 . 20 1 1 A 144 144 SER CA C 144 58.801 58.603 0.198 1 1 1844 . 20 1 1 A 144 144 SER CB C 144 64.126 62.656 1.470 1 1 1845 . 20 1 1 A 144 144 SER N N 144 114.646 114.257 0.389 1 1 1846 . 20 1 1 A 145 145 GLY H H 145 7.982 8.629 -0.647 1 1 1847 . 20 1 1 A 145 145 GLY HA2 H 145 4.102 4.197 -0.095 1 1 1848 . 20 1 1 A 145 145 GLY HA3 H 145 4.231 4.198 0.033 1 1 1849 . 20 1 1 A 145 145 GLY C C 145 171.800 171.346 0.454 1 1 1850 . 20 1 1 A 145 145 GLY CA C 145 44.854 45.517 -0.663 1 1 1851 . 20 1 1 A 145 145 GLY N N 145 110.299 109.309 0.990 1 1 1852 . 20 1 1 A 146 146 PRO HA H 146 4.510 4.828 -0.318 1 1 1859 . 20 1 1 A 146 146 PRO C C 146 177.496 176.158 1.338 1 1 1860 . 20 1 1 A 146 146 PRO CA C 146 63.313 62.545 0.768 1 1 1861 . 20 1 1 A 146 146 PRO CB C 146 32.177 31.784 0.393 1 1 1864 . 20 1 1 A 147 147 SER H H 147 8.530 8.715 -0.185 1 1 1865 . 20 1 1 A 147 147 SER C C 147 174.721 174.158 0.563 1 1 1866 . 20 1 1 A 147 147 SER CA C 147 58.390 59.599 -1.209 1 1 1867 . 20 1 1 A 147 147 SER CB C 147 63.803 65.084 -1.281 1 1 1868 . 20 1 1 A 147 147 SER N N 147 116.436 117.770 -1.334 1 1 1869 . 20 1 1 A 148 148 SER H H 148 8.348 8.037 0.311 1 1 1870 . 20 1 1 A 148 148 SER C C 148 173.957 174.686 -0.729 1 1 1871 . 20 1 1 A 148 148 SER CA C 148 58.372 60.108 -1.736 1 1 1872 . 20 1 1 A 148 148 SER CB C 148 64.008 62.121 1.887 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 134 1.160 1 2 1 1 1 "RMS(OBS, PRED)" CA 140 1.382 1 3 1 1 1 "RMS(OBS, PRED)" CB 134 1.371 1 4 1 1 1 "RMS(OBS, PRED)" H 130 0.634 1 5 1 1 1 "RMS(OBS, PRED)" HA 146 0.361 1 6 1 1 1 "RMS(OBS, PRED)" N 127 3.430 1 7 1 2 1 "RMS(OBS, PRED)" C 134 1.124 1 8 1 2 1 "RMS(OBS, PRED)" CA 140 1.439 1 9 1 2 1 "RMS(OBS, PRED)" CB 134 1.372 1 10 1 2 1 "RMS(OBS, PRED)" H 130 0.611 1 11 1 2 1 "RMS(OBS, PRED)" HA 146 0.342 1 12 1 2 1 "RMS(OBS, PRED)" N 127 3.434 1 13 1 3 1 "RMS(OBS, PRED)" C 134 1.103 1 14 1 3 1 "RMS(OBS, PRED)" CA 140 1.333 1 15 1 3 1 "RMS(OBS, PRED)" CB 134 1.309 1 16 1 3 1 "RMS(OBS, PRED)" H 130 0.655 1 17 1 3 1 "RMS(OBS, PRED)" HA 146 0.337 1 18 1 3 1 "RMS(OBS, PRED)" N 127 3.339 1 19 1 4 1 "RMS(OBS, PRED)" C 134 1.090 1 20 1 4 1 "RMS(OBS, PRED)" CA 140 1.466 1 21 1 4 1 "RMS(OBS, PRED)" CB 134 1.555 1 22 1 4 1 "RMS(OBS, PRED)" H 130 0.630 1 23 1 4 1 "RMS(OBS, PRED)" HA 146 0.375 1 24 1 4 1 "RMS(OBS, PRED)" N 127 3.349 1 25 1 5 1 "RMS(OBS, PRED)" C 134 1.116 1 26 1 5 1 "RMS(OBS, PRED)" CA 140 1.392 1 27 1 5 1 "RMS(OBS, PRED)" CB 134 1.290 1 28 1 5 1 "RMS(OBS, PRED)" H 130 0.622 1 29 1 5 1 "RMS(OBS, PRED)" HA 146 0.361 1 30 1 5 1 "RMS(OBS, PRED)" N 127 3.198 1 31 1 6 1 "RMS(OBS, PRED)" C 134 1.175 1 32 1 6 1 "RMS(OBS, PRED)" CA 140 1.389 1 33 1 6 1 "RMS(OBS, PRED)" CB 134 1.418 1 34 1 6 1 "RMS(OBS, PRED)" H 130 0.614 1 35 1 6 1 "RMS(OBS, PRED)" HA 146 0.350 1 36 1 6 1 "RMS(OBS, PRED)" N 127 3.216 1 37 1 7 1 "RMS(OBS, PRED)" C 134 1.157 1 38 1 7 1 "RMS(OBS, PRED)" CA 140 1.376 1 39 1 7 1 "RMS(OBS, PRED)" CB 134 1.454 1 40 1 7 1 "RMS(OBS, PRED)" H 130 0.642 1 41 1 7 1 "RMS(OBS, PRED)" HA 146 0.333 1 42 1 7 1 "RMS(OBS, PRED)" N 127 3.378 1 43 1 8 1 "RMS(OBS, PRED)" C 134 1.095 1 44 1 8 1 "RMS(OBS, PRED)" CA 140 1.425 1 45 1 8 1 "RMS(OBS, PRED)" CB 134 1.359 1 46 1 8 1 "RMS(OBS, PRED)" H 130 0.658 1 47 1 8 1 "RMS(OBS, PRED)" HA 146 0.385 1 48 1 8 1 "RMS(OBS, PRED)" N 127 3.310 1 49 1 9 1 "RMS(OBS, PRED)" C 134 1.150 1 50 1 9 1 "RMS(OBS, PRED)" CA 140 1.478 1 51 1 9 1 "RMS(OBS, PRED)" CB 134 1.389 1 52 1 9 1 "RMS(OBS, PRED)" H 130 0.651 1 53 1 9 1 "RMS(OBS, PRED)" HA 146 0.339 1 54 1 9 1 "RMS(OBS, PRED)" N 127 3.427 1 55 1 10 1 "RMS(OBS, PRED)" C 134 1.091 1 56 1 10 1 "RMS(OBS, PRED)" CA 140 1.325 1 57 1 10 1 "RMS(OBS, PRED)" CB 134 1.310 1 58 1 10 1 "RMS(OBS, PRED)" H 130 0.604 1 59 1 10 1 "RMS(OBS, PRED)" HA 146 0.354 1 60 1 10 1 "RMS(OBS, PRED)" N 127 3.400 1 61 1 11 1 "RMS(OBS, PRED)" C 134 1.195 1 62 1 11 1 "RMS(OBS, PRED)" CA 140 1.465 1 63 1 11 1 "RMS(OBS, PRED)" CB 134 1.334 1 64 1 11 1 "RMS(OBS, PRED)" H 130 0.593 1 65 1 11 1 "RMS(OBS, PRED)" HA 146 0.319 1 66 1 11 1 "RMS(OBS, PRED)" N 127 3.344 1 67 1 12 1 "RMS(OBS, PRED)" C 134 1.135 1 68 1 12 1 "RMS(OBS, PRED)" CA 140 1.413 1 69 1 12 1 "RMS(OBS, PRED)" CB 134 1.434 1 70 1 12 1 "RMS(OBS, PRED)" H 130 0.649 1 71 1 12 1 "RMS(OBS, PRED)" HA 146 0.347 1 72 1 12 1 "RMS(OBS, PRED)" N 127 3.099 1 73 1 13 1 "RMS(OBS, PRED)" C 134 1.128 1 74 1 13 1 "RMS(OBS, PRED)" CA 140 1.379 1 75 1 13 1 "RMS(OBS, PRED)" CB 134 1.431 1 76 1 13 1 "RMS(OBS, PRED)" H 130 0.622 1 77 1 13 1 "RMS(OBS, PRED)" HA 146 0.332 1 78 1 13 1 "RMS(OBS, PRED)" N 127 3.138 1 79 1 14 1 "RMS(OBS, PRED)" C 134 1.109 1 80 1 14 1 "RMS(OBS, PRED)" CA 140 1.359 1 81 1 14 1 "RMS(OBS, PRED)" CB 134 1.380 1 82 1 14 1 "RMS(OBS, PRED)" H 130 0.646 1 83 1 14 1 "RMS(OBS, PRED)" HA 146 0.336 1 84 1 14 1 "RMS(OBS, PRED)" N 127 3.346 1 85 1 15 1 "RMS(OBS, PRED)" C 134 1.111 1 86 1 15 1 "RMS(OBS, PRED)" CA 140 1.318 1 87 1 15 1 "RMS(OBS, PRED)" CB 134 1.406 1 88 1 15 1 "RMS(OBS, PRED)" H 130 0.631 1 89 1 15 1 "RMS(OBS, PRED)" HA 146 0.366 1 90 1 15 1 "RMS(OBS, PRED)" N 127 3.102 1 91 1 16 1 "RMS(OBS, PRED)" C 134 1.142 1 92 1 16 1 "RMS(OBS, PRED)" CA 140 1.375 1 93 1 16 1 "RMS(OBS, PRED)" CB 134 1.313 1 94 1 16 1 "RMS(OBS, PRED)" H 130 0.631 1 95 1 16 1 "RMS(OBS, PRED)" HA 146 0.333 1 96 1 16 1 "RMS(OBS, PRED)" N 127 3.315 1 97 1 17 1 "RMS(OBS, PRED)" C 134 1.112 1 98 1 17 1 "RMS(OBS, PRED)" CA 140 1.390 1 99 1 17 1 "RMS(OBS, PRED)" CB 134 1.359 1 100 1 17 1 "RMS(OBS, PRED)" H 130 0.617 1 101 1 17 1 "RMS(OBS, PRED)" HA 146 0.336 1 102 1 17 1 "RMS(OBS, PRED)" N 127 3.165 1 103 1 18 1 "RMS(OBS, PRED)" C 134 1.131 1 104 1 18 1 "RMS(OBS, PRED)" CA 140 1.404 1 105 1 18 1 "RMS(OBS, PRED)" CB 134 1.380 1 106 1 18 1 "RMS(OBS, PRED)" H 130 0.656 1 107 1 18 1 "RMS(OBS, PRED)" HA 146 0.343 1 108 1 18 1 "RMS(OBS, PRED)" N 127 3.232 1 109 1 19 1 "RMS(OBS, PRED)" C 134 1.110 1 110 1 19 1 "RMS(OBS, PRED)" CA 140 1.393 1 111 1 19 1 "RMS(OBS, PRED)" CB 134 1.296 1 112 1 19 1 "RMS(OBS, PRED)" H 130 0.670 1 113 1 19 1 "RMS(OBS, PRED)" HA 146 0.353 1 114 1 19 1 "RMS(OBS, PRED)" N 127 3.477 1 115 1 20 1 "RMS(OBS, PRED)" C 134 1.168 1 116 1 20 1 "RMS(OBS, PRED)" CA 140 1.419 1 117 1 20 1 "RMS(OBS, PRED)" CB 134 1.368 1 118 1 20 1 "RMS(OBS, PRED)" H 130 0.648 1 119 1 20 1 "RMS(OBS, PRED)" HA 146 0.348 1 120 1 20 1 "RMS(OBS, PRED)" N 127 3.293 1 stop_ save_ save_delta_chem_shifts_average _Entity_delta_chem_shifts.Sf_category delta_chem_shifts _Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average _Entity_delta_chem_shifts.Conformer_type "average" _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Assigned_chem_shift_list_ID _Delta_CS.Atom_chem_shift_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.PDB_asym_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entity_delta_chem_shifts_ID 1 1 . 1 1 A 8 8 GLN HA H 8 4.221 4.566 -0.345 2 1 8 . 1 1 A 8 8 GLN CA C 8 56.851 55.423 1.428 2 1 9 . 1 1 A 8 8 GLN CB C 8 28.887 29.615 -0.728 2 1 12 . 1 1 A 9 9 GLU H H 9 8.480 8.607 -0.127 2 1 13 . 1 1 A 9 9 GLU HA H 9 4.166 4.540 -0.374 2 1 18 . 1 1 A 9 9 GLU CA C 9 58.333 56.419 1.914 2 1 19 . 1 1 A 9 9 GLU CB C 9 29.545 30.788 -1.243 2 1 21 . 1 1 A 9 9 GLU N N 9 121.149 121.933 -0.784 2 1 22 . 1 1 A 10 10 ARG H H 10 8.336 8.532 -0.196 2 1 23 . 1 1 A 10 10 ARG HA H 10 4.131 4.483 -0.352 2 1 30 . 1 1 A 10 10 ARG C C 10 177.350 175.685 1.665 2 1 31 . 1 1 A 10 10 ARG CA C 10 57.731 56.199 1.532 2 1 32 . 1 1 A 10 10 ARG CB C 10 30.061 30.748 -0.687 2 1 35 . 1 1 A 10 10 ARG N N 10 120.177 122.684 -2.507 2 1 36 . 1 1 A 11 11 LEU H H 11 7.741 8.372 -0.631 2 1 37 . 1 1 A 11 11 LEU HA H 11 4.219 4.406 -0.187 2 1 44 . 1 1 A 11 11 LEU CA C 11 56.781 55.123 1.658 2 1 45 . 1 1 A 11 11 LEU CB C 11 41.875 42.446 -0.571 2 1 49 . 1 1 A 11 11 LEU N N 11 120.410 123.279 -2.869 2 1 50 . 1 1 A 12 12 LYS H H 12 7.816 8.572 -0.756 2 1 51 . 1 1 A 12 12 LYS HA H 12 4.091 4.587 -0.496 2 1 60 . 1 1 A 12 12 LYS CA C 12 58.234 55.871 2.363 2 1 61 . 1 1 A 12 12 LYS CB C 12 32.530 33.825 -1.295 2 1 65 . 1 1 A 12 12 LYS N N 12 119.365 120.830 -1.465 2 1 66 . 1 1 A 13 13 ILE H H 13 7.851 8.452 -0.601 2 1 67 . 1 1 A 13 13 ILE HA H 13 3.951 4.357 -0.406 2 1 77 . 1 1 A 13 13 ILE C C 13 176.914 175.587 1.327 2 1 78 . 1 1 A 13 13 ILE CA C 13 62.713 61.661 1.052 2 1 79 . 1 1 A 13 13 ILE CB C 13 38.264 38.824 -0.560 2 1 83 . 1 1 A 14 14 THR H H 14 7.750 8.620 -0.870 2 1 84 . 1 1 A 14 14 THR HA H 14 4.021 4.522 -0.501 2 1 88 . 1 1 A 14 14 THR C C 14 174.818 173.783 1.035 2 1 89 . 1 1 A 14 14 THR CA C 14 63.172 61.897 1.275 2 1 90 . 1 1 A 14 14 THR CB C 14 68.985 70.259 -1.274 2 1 92 . 1 1 A 14 14 THR N N 14 110.999 118.544 -7.545 2 1 93 . 1 1 A 15 15 ALA H H 15 7.922 8.264 -0.342 2 1 94 . 1 1 A 15 15 ALA HA H 15 4.141 4.448 -0.307 2 1 98 . 1 1 A 15 15 ALA C C 15 177.593 176.591 1.002 2 1 99 . 1 1 A 15 15 ALA CA C 15 53.007 52.355 0.652 2 1 100 . 1 1 A 15 15 ALA CB C 15 18.747 20.172 -1.425 2 1 101 . 1 1 A 15 15 ALA N N 15 122.429 124.831 -2.402 2 1 102 . 1 1 A 16 16 LEU H H 16 7.442 8.193 -0.751 2 1 103 . 1 1 A 16 16 LEU HA H 16 4.653 4.490 0.163 2 1 112 . 1 1 A 16 16 LEU C C 16 173.182 174.986 -1.804 2 1 113 . 1 1 A 16 16 LEU CA C 16 51.524 52.739 -1.215 2 1 114 . 1 1 A 16 16 LEU CB C 16 45.831 42.602 3.229 2 1 118 . 1 1 A 16 16 LEU N N 16 120.226 120.663 -0.437 2 1 119 . 1 1 A 17 17 PRO HA H 17 4.140 4.651 -0.511 2 1 126 . 1 1 A 17 17 PRO C C 17 174.296 176.247 -1.951 2 1 127 . 1 1 A 17 17 PRO CA C 17 62.007 62.376 -0.369 2 1 128 . 1 1 A 17 17 PRO CB C 17 32.013 31.918 0.095 2 1 131 . 1 1 A 18 18 LEU H H 18 8.071 8.165 -0.094 2 1 132 . 1 1 A 18 18 LEU HA H 18 4.097 4.109 -0.012 2 1 142 . 1 1 A 18 18 LEU C C 18 176.974 175.606 1.368 2 1 143 . 1 1 A 18 18 LEU CA C 18 55.043 55.540 -0.497 2 1 144 . 1 1 A 18 18 LEU CB C 18 42.376 42.466 -0.090 2 1 148 . 1 1 A 18 18 LEU N N 18 119.963 123.533 -3.570 2 1 149 . 1 1 A 19 19 TYR H H 19 9.108 8.887 0.221 2 1 150 . 1 1 A 19 19 TYR HA H 19 5.121 4.737 0.384 2 1 157 . 1 1 A 19 19 TYR C C 19 174.515 175.514 -0.999 2 1 158 . 1 1 A 19 19 TYR CA C 19 55.160 59.044 -3.884 2 1 159 . 1 1 A 19 19 TYR CB C 19 39.292 40.751 -1.459 2 1 164 . 1 1 A 19 19 TYR N N 19 127.955 123.629 4.326 2 1 165 . 1 1 A 20 20 PHE H H 20 7.560 7.222 0.338 2 1 166 . 1 1 A 20 20 PHE HA H 20 4.281 4.496 -0.215 2 1 174 . 1 1 A 20 20 PHE C C 20 171.170 173.018 -1.848 2 1 175 . 1 1 A 20 20 PHE CA C 20 57.031 57.440 -0.409 2 1 176 . 1 1 A 20 20 PHE CB C 20 40.937 41.598 -0.661 2 1 182 . 1 1 A 20 20 PHE N N 20 115.328 116.686 -1.358 2 1 183 . 1 1 A 21 21 GLU H H 21 5.556 8.109 -2.553 2 1 184 . 1 1 A 21 21 GLU HA H 21 5.191 4.837 0.355 2 1 189 . 1 1 A 21 21 GLU C C 21 173.024 174.206 -1.182 2 1 190 . 1 1 A 21 21 GLU CA C 21 53.025 54.181 -1.156 2 1 191 . 1 1 A 21 21 GLU CB C 21 31.760 32.982 -1.222 2 1 193 . 1 1 A 21 21 GLU N N 21 118.643 121.933 -3.290 2 1 194 . 1 1 A 22 22 GLY H H 22 7.721 7.680 0.041 2 1 195 . 1 1 A 22 22 GLY HA2 H 22 4.024 3.897 0.127 2 1 196 . 1 1 A 22 22 GLY HA3 H 22 3.107 4.027 -0.920 2 1 197 . 1 1 A 22 22 GLY C C 22 171.994 171.912 0.082 2 1 198 . 1 1 A 22 22 GLY CA C 22 45.013 45.446 -0.432 2 1 199 . 1 1 A 22 22 GLY N N 22 106.155 106.915 -0.760 2 1 200 . 1 1 A 23 23 PHE H H 23 8.881 8.644 0.237 2 1 201 . 1 1 A 23 23 PHE HA H 23 5.303 4.590 0.713 2 1 209 . 1 1 A 23 23 PHE C C 23 176.926 175.152 1.774 2 1 210 . 1 1 A 23 23 PHE CA C 23 60.013 59.441 0.572 2 1 211 . 1 1 A 23 23 PHE CB C 23 40.937 39.190 1.747 2 1 217 . 1 1 A 23 23 PHE N N 23 119.442 120.994 -1.552 2 1 218 . 1 1 A 24 24 LEU H H 24 9.072 8.688 0.384 2 1 219 . 1 1 A 24 24 LEU HA H 24 4.562 5.037 -0.475 2 1 229 . 1 1 A 24 24 LEU C C 24 174.406 174.556 -0.150 2 1 230 . 1 1 A 24 24 LEU CA C 24 54.437 53.567 0.870 2 1 231 . 1 1 A 24 24 LEU CB C 24 48.381 45.082 3.299 2 1 235 . 1 1 A 24 24 LEU N N 24 122.488 126.080 -3.592 2 1 236 . 1 1 A 25 25 LEU H H 25 8.120 8.420 -0.300 2 1 237 . 1 1 A 25 25 LEU HA H 25 5.480 5.353 0.127 2 1 247 . 1 1 A 25 25 LEU C C 25 176.175 175.799 0.376 2 1 248 . 1 1 A 25 25 LEU CA C 25 54.242 53.324 0.918 2 1 249 . 1 1 A 25 25 LEU CB C 25 42.576 42.853 -0.277 2 1 253 . 1 1 A 25 25 LEU N N 25 120.790 125.799 -5.008 2 1 254 . 1 1 A 26 26 ILE H H 26 9.110 8.694 0.416 2 1 255 . 1 1 A 26 26 ILE HA H 26 5.232 4.624 0.608 2 1 265 . 1 1 A 26 26 ILE C C 26 174.757 174.581 0.176 2 1 266 . 1 1 A 26 26 ILE CA C 26 57.613 59.733 -2.120 2 1 267 . 1 1 A 26 26 ILE CB C 26 41.343 39.882 1.461 2 1 271 . 1 1 A 26 26 ILE N N 26 120.679 124.816 -4.137 2 1 272 . 1 1 A 27 27 LYS H H 27 9.150 8.412 0.738 2 1 273 . 1 1 A 27 27 LYS HA H 27 4.425 4.231 0.194 2 1 282 . 1 1 A 27 27 LYS C C 27 175.557 175.312 0.245 2 1 283 . 1 1 A 27 27 LYS CA C 27 56.095 54.781 1.314 2 1 284 . 1 1 A 27 27 LYS CB C 27 35.056 32.840 2.216 2 1 288 . 1 1 A 27 27 LYS N N 27 127.778 128.096 -0.318 2 1 289 . 1 1 A 28 28 ARG H H 28 5.868 7.739 -1.871 2 1 290 . 1 1 A 28 28 ARG HA H 28 4.429 4.272 0.157 2 1 298 . 1 1 A 28 28 ARG C C 28 176.078 176.502 -0.424 2 1 299 . 1 1 A 28 28 ARG CA C 28 54.542 56.194 -1.652 2 1 300 . 1 1 A 28 28 ARG CB C 28 31.602 31.357 0.245 2 1 303 . 1 1 A 28 28 ARG N N 28 124.548 124.630 -0.082 2 1 305 . 1 1 A 29 29 SER H H 29 9.067 8.547 0.520 2 1 306 . 1 1 A 29 29 SER HA H 29 4.181 4.366 -0.185 2 1 309 . 1 1 A 29 29 SER C C 29 176.066 175.198 0.868 2 1 310 . 1 1 A 29 29 SER CA C 29 61.019 59.858 1.161 2 1 311 . 1 1 A 29 29 SER CB C 29 63.057 62.940 0.117 2 1 312 . 1 1 A 29 29 SER N N 29 116.823 116.079 0.744 2 1 313 . 1 1 A 30 30 GLY HA2 H 30 3.810 3.991 -0.181 2 1 314 . 1 1 A 30 30 GLY HA3 H 30 4.172 4.017 0.155 2 1 315 . 1 1 A 30 30 GLY CA C 30 45.171 45.634 -0.463 2 1 316 . 1 1 A 31 31 TYR H H 31 8.001 8.237 -0.236 2 1 317 . 1 1 A 31 31 TYR HA H 31 4.729 4.591 0.138 2 1 324 . 1 1 A 31 31 TYR CB C 31 37.249 39.363 -2.114 2 1 329 . 1 1 A 31 31 TYR N N 31 121.120 120.602 0.518 2 1 330 . 1 1 A 32 32 ARG HA H 32 4.204 4.090 0.114 2 1 337 . 1 1 A 32 32 ARG C C 32 176.066 175.375 0.691 2 1 338 . 1 1 A 32 32 ARG CA C 32 57.631 58.070 -0.439 2 1 339 . 1 1 A 32 32 ARG CB C 32 30.861 30.140 0.721 2 1 342 . 1 1 A 33 33 GLU H H 33 7.700 7.911 -0.211 2 1 343 . 1 1 A 33 33 GLU HA H 33 4.600 4.602 -0.002 2 1 348 . 1 1 A 33 33 GLU C C 33 175.569 174.951 0.618 2 1 349 . 1 1 A 33 33 GLU CA C 33 53.695 55.282 -1.587 2 1 350 . 1 1 A 33 33 GLU CB C 33 33.000 31.931 1.069 2 1 352 . 1 1 A 33 33 GLU N N 33 115.988 115.139 0.849 2 1 353 . 1 1 A 34 34 TYR H H 34 8.755 8.485 0.270 2 1 354 . 1 1 A 34 34 TYR HA H 34 4.311 4.448 -0.137 2 1 361 . 1 1 A 34 34 TYR C C 34 176.999 175.712 1.287 2 1 362 . 1 1 A 34 34 TYR CA C 34 59.537 59.566 -0.029 2 1 363 . 1 1 A 34 34 TYR CB C 34 39.744 38.848 0.896 2 1 368 . 1 1 A 34 34 TYR N N 34 118.663 122.043 -3.380 2 1 369 . 1 1 A 35 35 GLU H H 35 9.024 8.650 0.374 2 1 370 . 1 1 A 35 35 GLU HA H 35 4.401 4.810 -0.409 2 1 375 . 1 1 A 35 35 GLU C C 35 174.406 175.412 -1.006 2 1 376 . 1 1 A 35 35 GLU CA C 35 54.330 55.108 -0.778 2 1 377 . 1 1 A 35 35 GLU CB C 35 31.972 32.234 -0.262 2 1 379 . 1 1 A 35 35 GLU N N 35 122.488 123.225 -0.736 2 1 380 . 1 1 A 36 36 HIS H H 36 8.639 8.816 -0.177 2 1 381 . 1 1 A 36 36 HIS HA H 36 4.980 5.023 -0.043 2 1 386 . 1 1 A 36 36 HIS C C 36 174.127 174.095 0.032 2 1 387 . 1 1 A 36 36 HIS CA C 36 55.607 55.074 0.533 2 1 388 . 1 1 A 36 36 HIS CB C 36 31.396 30.447 0.950 2 1 391 . 1 1 A 36 36 HIS N N 36 123.767 121.410 2.357 2 1 392 . 1 1 A 37 37 TYR H H 37 8.931 8.806 0.125 2 1 393 . 1 1 A 37 37 TYR HA H 37 5.668 5.003 0.665 2 1 400 . 1 1 A 37 37 TYR C C 37 177.969 174.885 3.084 2 1 401 . 1 1 A 37 37 TYR CA C 37 55.407 56.799 -1.392 2 1 402 . 1 1 A 37 37 TYR CB C 37 42.089 42.376 -0.287 2 1 407 . 1 1 A 37 37 TYR N N 37 124.075 122.746 1.330 2 1 408 . 1 1 A 38 38 TRP H H 38 8.931 9.535 -0.604 2 1 409 . 1 1 A 38 38 TRP HA H 38 4.329 4.955 -0.626 2 1 418 . 1 1 A 38 38 TRP C C 38 174.345 175.399 -1.054 2 1 419 . 1 1 A 38 38 TRP CA C 38 58.230 56.407 1.823 2 1 420 . 1 1 A 38 38 TRP CB C 38 28.846 29.223 -0.377 2 1 426 . 1 1 A 38 38 TRP N N 38 125.317 126.826 -1.509 2 1 428 . 1 1 A 39 39 THR H H 39 8.366 8.786 -0.420 2 1 429 . 1 1 A 39 39 THR HA H 39 5.535 5.056 0.479 2 1 434 . 1 1 A 39 39 THR C C 39 173.303 174.159 -0.856 2 1 435 . 1 1 A 39 39 THR CA C 39 62.037 62.725 -0.689 2 1 436 . 1 1 A 39 39 THR CB C 39 70.295 70.156 0.139 2 1 438 . 1 1 A 39 39 THR N N 39 127.024 122.496 4.527 2 1 439 . 1 1 A 40 40 GLU H H 40 8.902 9.772 -0.870 2 1 440 . 1 1 A 40 40 GLU HA H 40 4.816 4.885 -0.069 2 1 445 . 1 1 A 40 40 GLU C C 40 175.351 174.741 0.610 2 1 446 . 1 1 A 40 40 GLU CA C 40 53.607 54.791 -1.184 2 1 447 . 1 1 A 40 40 GLU CB C 40 34.639 33.165 1.474 2 1 449 . 1 1 A 40 40 GLU N N 40 120.613 124.782 -4.169 2 1 450 . 1 1 A 41 41 LEU H H 41 8.910 9.015 -0.105 2 1 451 . 1 1 A 41 41 LEU HA H 41 5.168 5.139 0.029 2 1 461 . 1 1 A 41 41 LEU C C 41 174.806 175.043 -0.237 2 1 462 . 1 1 A 41 41 LEU CA C 41 53.872 54.484 -0.612 2 1 463 . 1 1 A 41 41 LEU CB C 41 43.610 43.402 0.208 2 1 467 . 1 1 A 41 41 LEU N N 41 123.682 127.401 -3.719 2 1 468 . 1 1 A 42 42 ARG H H 42 9.150 8.492 0.658 2 1 469 . 1 1 A 42 42 ARG HA H 42 5.182 4.422 0.760 2 1 474 . 1 1 A 42 42 ARG C C 42 176.272 176.375 -0.103 2 1 475 . 1 1 A 42 42 ARG CA C 42 53.643 54.777 -1.134 2 1 476 . 1 1 A 42 42 ARG CB C 42 33.205 33.219 -0.014 2 1 479 . 1 1 A 42 42 ARG N N 42 127.645 125.769 1.876 2 1 480 . 1 1 A 43 43 GLY H H 43 6.304 8.116 -1.812 2 1 481 . 1 1 A 43 43 GLY HA2 H 43 3.917 3.878 0.039 2 1 482 . 1 1 A 43 43 GLY HA3 H 43 3.812 4.032 -0.220 2 1 483 . 1 1 A 43 43 GLY C C 43 171.630 174.697 -3.067 2 1 484 . 1 1 A 43 43 GLY CA C 43 47.025 47.363 -0.338 2 1 485 . 1 1 A 43 43 GLY N N 43 112.565 113.296 -0.731 2 1 486 . 1 1 A 44 44 THR H H 44 7.841 8.445 -0.604 2 1 487 . 1 1 A 44 44 THR HA H 44 4.313 4.666 -0.353 2 1 492 . 1 1 A 44 44 THR C C 44 172.515 173.518 -1.003 2 1 493 . 1 1 A 44 44 THR CA C 44 60.207 61.055 -0.848 2 1 494 . 1 1 A 44 44 THR CB C 44 68.320 69.486 -1.166 2 1 496 . 1 1 A 44 44 THR N N 44 111.769 117.380 -5.611 2 1 497 . 1 1 A 45 45 THR H H 45 8.500 7.940 0.560 2 1 498 . 1 1 A 45 45 THR HA H 45 4.664 4.752 -0.088 2 1 503 . 1 1 A 45 45 THR C C 45 172.224 173.397 -1.173 2 1 504 . 1 1 A 45 45 THR CA C 45 62.413 61.638 0.775 2 1 505 . 1 1 A 45 45 THR CB C 45 69.848 70.798 -0.950 2 1 507 . 1 1 A 45 45 THR N N 45 118.681 116.845 1.836 2 1 508 . 1 1 A 46 46 LEU H H 46 8.391 8.688 -0.297 2 1 509 . 1 1 A 46 46 LEU HA H 46 4.892 4.552 0.340 2 1 519 . 1 1 A 46 46 LEU C C 46 174.260 175.543 -1.283 2 1 520 . 1 1 A 46 46 LEU CA C 46 52.654 54.421 -1.767 2 1 521 . 1 1 A 46 46 LEU CB C 46 42.911 41.817 1.094 2 1 525 . 1 1 A 46 46 LEU N N 46 125.559 128.141 -2.582 2 1 526 . 1 1 A 47 47 PHE H H 47 9.131 9.150 -0.019 2 1 527 . 1 1 A 47 47 PHE HA H 47 3.940 4.646 -0.706 2 1 535 . 1 1 A 47 47 PHE C C 47 173.363 174.363 -1.000 2 1 536 . 1 1 A 47 47 PHE CA C 47 57.454 55.922 1.532 2 1 537 . 1 1 A 47 47 PHE CB C 47 42.747 40.939 1.808 2 1 543 . 1 1 A 47 47 PHE N N 47 121.095 123.340 -2.245 2 1 544 . 1 1 A 48 48 PHE H H 48 7.881 9.181 -1.300 2 1 545 . 1 1 A 48 48 PHE HA H 48 5.021 5.370 -0.349 2 1 553 . 1 1 A 48 48 PHE C C 48 173.727 174.529 -0.802 2 1 554 . 1 1 A 48 48 PHE CA C 48 56.166 55.712 0.454 2 1 555 . 1 1 A 48 48 PHE CB C 48 39.169 41.190 -2.021 2 1 561 . 1 1 A 48 48 PHE N N 48 120.063 122.296 -2.233 2 1 562 . 1 1 A 49 49 TYR H H 49 9.972 9.404 0.568 2 1 563 . 1 1 A 49 49 TYR HA H 49 5.190 5.205 -0.015 2 1 570 . 1 1 A 49 49 TYR C C 49 176.587 176.369 0.219 2 1 571 . 1 1 A 49 49 TYR CA C 49 56.254 56.974 -0.720 2 1 572 . 1 1 A 49 49 TYR CB C 49 41.842 42.940 -1.098 2 1 577 . 1 1 A 49 49 TYR N N 49 121.415 121.333 0.082 2 1 578 . 1 1 A 50 50 THR H H 50 9.511 9.029 0.482 2 1 579 . 1 1 A 50 50 THR HA H 50 4.571 4.655 -0.084 2 1 584 . 1 1 A 50 50 THR C C 50 174.793 174.770 0.023 2 1 585 . 1 1 A 50 50 THR CA C 50 65.361 63.945 1.416 2 1 586 . 1 1 A 50 50 THR CB C 50 69.043 69.386 -0.343 2 1 588 . 1 1 A 50 50 THR N N 50 114.446 115.493 -1.047 2 1 589 . 1 1 A 51 51 ASP H H 51 7.828 8.117 -0.289 2 1 590 . 1 1 A 51 51 ASP HA H 51 4.803 5.147 -0.344 2 1 593 . 1 1 A 51 51 ASP C C 51 174.685 176.019 -1.334 2 1 594 . 1 1 A 51 51 ASP CA C 51 53.254 54.027 -0.773 2 1 595 . 1 1 A 51 51 ASP CB C 51 43.586 44.143 -0.557 2 1 596 . 1 1 A 51 51 ASP N N 51 115.656 120.166 -4.510 2 1 597 . 1 1 A 52 52 LYS H H 52 8.271 8.422 -0.151 2 1 598 . 1 1 A 52 52 LYS HA H 52 2.800 3.897 -1.097 2 1 607 . 1 1 A 52 52 LYS C C 52 176.671 178.019 -1.348 2 1 608 . 1 1 A 52 52 LYS CA C 52 58.372 58.655 -0.283 2 1 609 . 1 1 A 52 52 LYS CB C 52 32.178 32.645 -0.467 2 1 613 . 1 1 A 52 52 LYS N N 52 119.009 120.243 -1.234 2 1 614 . 1 1 A 53 53 LYS H H 53 8.068 8.066 0.002 2 1 615 . 1 1 A 53 53 LYS HA H 53 4.109 4.069 0.040 2 1 624 . 1 1 A 53 53 LYS C C 53 176.950 177.521 -0.571 2 1 625 . 1 1 A 53 53 LYS CA C 53 55.830 59.054 -3.224 2 1 626 . 1 1 A 53 53 LYS CB C 53 32.301 32.208 0.093 2 1 630 . 1 1 A 53 53 LYS N N 53 116.395 119.675 -3.280 2 1 631 . 1 1 A 54 54 SER H H 54 7.549 7.734 -0.185 2 1 632 . 1 1 A 54 54 SER HA H 54 4.316 4.377 -0.061 2 1 635 . 1 1 A 54 54 SER C C 54 174.394 174.438 -0.044 2 1 636 . 1 1 A 54 54 SER CA C 54 59.395 59.830 -0.435 2 1 637 . 1 1 A 54 54 SER CB C 54 64.337 64.005 0.332 2 1 638 . 1 1 A 54 54 SER N N 54 116.653 114.424 2.229 2 1 639 . 1 1 A 55 55 ILE H H 55 8.424 8.928 -0.504 2 1 640 . 1 1 A 55 55 ILE HA H 55 4.267 4.210 0.057 2 1 650 . 1 1 A 55 55 ILE C C 55 174.999 176.416 -1.417 2 1 651 . 1 1 A 55 55 ILE CA C 55 62.213 63.203 -0.990 2 1 652 . 1 1 A 55 55 ILE CB C 55 38.728 38.688 0.040 2 1 656 . 1 1 A 55 55 ILE N N 55 118.660 126.192 -7.532 2 1 657 . 1 1 A 56 56 ILE H H 56 7.771 7.834 -0.063 2 1 658 . 1 1 A 56 56 ILE HA H 56 4.561 4.334 0.227 2 1 668 . 1 1 A 56 56 ILE C C 56 175.266 175.357 -0.091 2 1 669 . 1 1 A 56 56 ILE CA C 56 59.342 60.914 -1.572 2 1 670 . 1 1 A 56 56 ILE CB C 56 39.506 38.246 1.260 2 1 674 . 1 1 A 56 56 ILE N N 56 119.568 120.405 -0.837 2 1 675 . 1 1 A 57 57 TYR H H 57 7.251 8.734 -1.483 2 1 676 . 1 1 A 57 57 TYR HA H 57 4.261 4.153 0.108 2 1 683 . 1 1 A 57 57 TYR C C 57 174.902 176.171 -1.269 2 1 684 . 1 1 A 57 57 TYR CA C 57 56.201 57.400 -1.199 2 1 685 . 1 1 A 57 57 TYR CB C 57 37.230 38.971 -1.741 2 1 690 . 1 1 A 58 58 VAL H H 58 9.157 8.265 0.892 2 1 691 . 1 1 A 58 58 VAL HA H 58 4.251 3.881 0.370 2 1 699 . 1 1 A 58 58 VAL C C 58 175.812 174.852 0.960 2 1 700 . 1 1 A 58 58 VAL CA C 58 62.360 64.625 -2.265 2 1 701 . 1 1 A 58 58 VAL CB C 58 33.123 32.370 0.753 2 1 704 . 1 1 A 58 58 VAL N N 58 116.888 120.751 -3.863 2 1 705 . 1 1 A 59 59 ASP H H 59 7.990 7.405 0.584 2 1 706 . 1 1 A 59 59 ASP HA H 59 4.970 5.100 -0.130 2 1 709 . 1 1 A 59 59 ASP C C 59 172.346 173.934 -1.588 2 1 710 . 1 1 A 59 59 ASP CA C 59 52.601 53.543 -0.942 2 1 711 . 1 1 A 59 59 ASP CB C 59 42.952 44.390 -1.438 2 1 712 . 1 1 A 59 59 ASP N N 59 117.301 119.258 -1.957 2 1 713 . 1 1 A 60 60 LYS H H 60 8.991 8.806 0.185 2 1 714 . 1 1 A 60 60 LYS HA H 60 4.761 4.697 0.064 2 1 723 . 1 1 A 60 60 LYS C C 60 173.666 174.548 -0.882 2 1 724 . 1 1 A 60 60 LYS CA C 60 54.718 53.835 0.883 2 1 725 . 1 1 A 60 60 LYS CB C 60 35.097 36.088 -0.991 2 1 729 . 1 1 A 60 60 LYS N N 60 118.648 118.346 0.302 2 1 730 . 1 1 A 61 61 LEU H H 61 8.702 8.756 -0.054 2 1 731 . 1 1 A 61 61 LEU HA H 61 4.462 4.948 -0.486 2 1 741 . 1 1 A 61 61 LEU C C 61 173.630 174.921 -1.291 2 1 742 . 1 1 A 61 61 LEU CA C 61 54.065 53.251 0.814 2 1 743 . 1 1 A 61 61 LEU CB C 61 47.032 46.289 0.743 2 1 747 . 1 1 A 61 61 LEU N N 61 121.890 120.602 1.288 2 1 748 . 1 1 A 62 62 ASP H H 62 8.868 8.660 0.208 2 1 749 . 1 1 A 62 62 ASP HA H 62 4.841 5.109 -0.268 2 1 752 . 1 1 A 62 62 ASP C C 62 178.029 175.125 2.904 2 1 753 . 1 1 A 62 62 ASP CA C 62 53.819 53.002 0.817 2 1 754 . 1 1 A 62 62 ASP CB C 62 40.772 44.118 -3.346 2 1 755 . 1 1 A 62 62 ASP N N 62 128.697 119.950 8.747 2 1 756 . 1 1 A 63 63 ILE H H 63 9.261 8.130 1.131 2 1 757 . 1 1 A 63 63 ILE HA H 63 4.554 4.600 -0.046 2 1 767 . 1 1 A 63 63 ILE C C 63 175.617 176.892 -1.275 2 1 768 . 1 1 A 63 63 ILE CA C 63 60.736 60.275 0.461 2 1 769 . 1 1 A 63 63 ILE CB C 63 38.364 37.863 0.501 2 1 773 . 1 1 A 63 63 ILE N N 63 120.253 120.379 -0.126 2 1 774 . 1 1 A 64 64 VAL H H 64 8.010 7.773 0.237 2 1 775 . 1 1 A 64 64 VAL HA H 64 3.781 3.902 -0.121 2 1 783 . 1 1 A 64 64 VAL C C 64 174.878 176.909 -2.031 2 1 784 . 1 1 A 64 64 VAL CA C 64 65.572 64.783 0.789 2 1 785 . 1 1 A 64 64 VAL CB C 64 30.532 31.740 -1.208 2 1 788 . 1 1 A 64 64 VAL N N 64 122.413 122.706 -0.293 2 1 789 . 1 1 A 65 65 ASP H H 65 8.391 7.729 0.662 2 1 790 . 1 1 A 65 65 ASP HA H 65 4.841 4.752 0.089 2 1 793 . 1 1 A 65 65 ASP C C 65 174.854 175.801 -0.947 2 1 794 . 1 1 A 65 65 ASP CA C 65 53.483 53.635 -0.152 2 1 795 . 1 1 A 65 65 ASP CB C 65 40.114 41.109 -0.995 2 1 796 . 1 1 A 65 65 ASP N N 65 119.308 119.566 -0.258 2 1 797 . 1 1 A 66 66 LEU H H 66 7.517 7.263 0.254 2 1 798 . 1 1 A 66 66 LEU HA H 66 3.962 4.196 -0.234 2 1 808 . 1 1 A 66 66 LEU C C 66 176.708 177.449 -0.741 2 1 809 . 1 1 A 66 66 LEU CA C 66 57.471 56.428 1.043 2 1 810 . 1 1 A 66 66 LEU CB C 66 43.322 42.784 0.538 2 1 814 . 1 1 A 66 66 LEU N N 66 120.009 123.160 -3.151 2 1 815 . 1 1 A 67 67 THR H H 67 9.329 10.147 -0.818 2 1 816 . 1 1 A 67 67 THR HA H 67 4.363 4.342 0.021 2 1 821 . 1 1 A 67 67 THR C C 67 175.145 174.161 0.983 2 1 822 . 1 1 A 67 67 THR CA C 67 64.019 63.572 0.448 2 1 823 . 1 1 A 67 67 THR CB C 67 69.107 69.153 -0.046 2 1 825 . 1 1 A 67 67 THR N N 67 123.534 121.012 2.522 2 1 826 . 1 1 A 68 68 CYS H H 68 7.584 7.152 0.432 2 1 827 . 1 1 A 68 68 CYS HA H 68 4.604 4.723 -0.119 2 1 830 . 1 1 A 68 68 CYS C C 68 170.528 172.310 -1.782 2 1 831 . 1 1 A 68 68 CYS CA C 68 57.402 58.617 -1.215 2 1 832 . 1 1 A 68 68 CYS CB C 68 29.175 31.060 -1.885 2 1 833 . 1 1 A 68 68 CYS N N 68 115.015 115.940 -0.925 2 1 834 . 1 1 A 69 69 LEU H H 69 8.730 8.659 0.071 2 1 835 . 1 1 A 69 69 LEU HA H 69 5.411 5.092 0.319 2 1 845 . 1 1 A 69 69 LEU C C 69 176.356 175.502 0.854 2 1 846 . 1 1 A 69 69 LEU CA C 69 54.242 54.132 0.110 2 1 847 . 1 1 A 69 69 LEU CB C 69 44.885 45.630 -0.745 2 1 851 . 1 1 A 69 69 LEU N N 69 125.633 122.646 2.987 2 1 852 . 1 1 A 70 70 THR H H 70 9.197 8.702 0.495 2 1 853 . 1 1 A 70 70 THR HA H 70 4.702 5.153 -0.451 2 1 858 . 1 1 A 70 70 THR C C 70 173.582 173.476 0.106 2 1 859 . 1 1 A 70 70 THR CA C 70 60.384 59.831 0.553 2 1 860 . 1 1 A 70 70 THR CB C 70 70.870 71.358 -0.488 2 1 862 . 1 1 A 70 70 THR N N 70 120.391 118.011 2.380 2 1 863 . 1 1 A 71 71 GLU H H 71 8.965 8.824 0.141 2 1 864 . 1 1 A 71 71 GLU HA H 71 4.685 5.306 -0.621 2 1 869 . 1 1 A 71 71 GLU C C 71 175.957 175.390 0.567 2 1 870 . 1 1 A 71 71 GLU CA C 71 56.254 54.675 1.579 2 1 871 . 1 1 A 71 71 GLU CB C 71 31.396 32.744 -1.348 2 1 873 . 1 1 A 71 71 GLU N N 71 124.718 120.277 4.441 2 1 874 . 1 1 A 72 72 GLN H H 72 8.318 8.804 -0.486 2 1 875 . 1 1 A 72 72 GLN HA H 72 4.629 4.724 -0.095 2 1 882 . 1 1 A 72 72 GLN C C 72 175.254 175.538 -0.284 2 1 883 . 1 1 A 72 72 GLN CA C 72 55.336 55.248 0.089 2 1 884 . 1 1 A 72 72 GLN CB C 72 30.533 30.192 0.341 2 1 886 . 1 1 A 72 72 GLN N N 72 123.543 123.128 0.415 2 1 888 . 1 1 A 73 73 ASN H H 73 8.670 8.779 -0.109 2 1 889 . 1 1 A 73 73 ASN HA H 73 4.688 4.877 -0.189 2 1 894 . 1 1 A 73 73 ASN C C 73 175.229 174.621 0.607 2 1 895 . 1 1 A 73 73 ASN CA C 73 53.607 53.657 -0.050 2 1 896 . 1 1 A 73 73 ASN CB C 73 39.169 39.642 -0.473 2 1 897 . 1 1 A 73 73 ASN N N 73 120.534 123.182 -2.648 2 1 899 . 1 1 A 74 74 SER H H 74 8.641 8.663 -0.022 2 1 900 . 1 1 A 74 74 SER HA H 74 4.652 4.745 -0.093 2 1 903 . 1 1 A 74 74 SER C C 74 175.121 173.973 1.148 2 1 904 . 1 1 A 74 74 SER CA C 74 58.409 58.639 -0.230 2 1 905 . 1 1 A 74 74 SER CB C 74 64.401 65.004 -0.603 2 1 906 . 1 1 A 74 74 SER N N 74 117.448 116.687 0.761 2 1 907 . 1 1 A 75 75 THR HA H 75 4.282 4.402 -0.120 2 1 912 . 1 1 A 75 75 THR C C 75 174.878 174.165 0.713 2 1 913 . 1 1 A 75 75 THR CA C 75 62.819 62.734 0.085 2 1 914 . 1 1 A 75 75 THR CB C 75 69.061 69.532 -0.471 2 1 916 . 1 1 A 76 76 GLU H H 76 8.156 8.408 -0.252 2 1 917 . 1 1 A 76 76 GLU HA H 76 4.350 4.357 -0.007 2 1 922 . 1 1 A 76 76 GLU C C 76 176.138 175.683 0.455 2 1 923 . 1 1 A 76 76 GLU CA C 76 56.202 56.886 -0.684 2 1 924 . 1 1 A 76 76 GLU CB C 76 30.532 30.079 0.453 2 1 926 . 1 1 A 76 76 GLU N N 76 122.220 122.214 0.006 2 1 927 . 1 1 A 77 77 LYS H H 77 8.443 8.483 -0.040 2 1 928 . 1 1 A 77 77 LYS HA H 77 4.221 4.275 -0.054 2 1 937 . 1 1 A 77 77 LYS C C 77 176.465 175.585 0.880 2 1 938 . 1 1 A 77 77 LYS CA C 77 56.730 56.593 0.137 2 1 939 . 1 1 A 77 77 LYS CB C 77 32.301 32.636 -0.335 2 1 943 . 1 1 A 77 77 LYS N N 77 122.162 122.180 -0.018 2 1 944 . 1 1 A 78 78 ASN H H 78 8.621 8.589 0.032 2 1 945 . 1 1 A 78 78 ASN HA H 78 4.641 5.026 -0.385 2 1 950 . 1 1 A 78 78 ASN C C 78 173.485 174.437 -0.952 2 1 951 . 1 1 A 78 78 ASN CA C 78 53.748 53.163 0.585 2 1 952 . 1 1 A 78 78 ASN CB C 78 38.058 40.113 -2.055 2 1 953 . 1 1 A 78 78 ASN N N 78 116.583 121.736 -5.153 2 1 955 . 1 1 A 79 79 CYS H H 79 7.551 8.248 -0.697 2 1 956 . 1 1 A 79 79 CYS HA H 79 4.371 4.816 -0.445 2 1 959 . 1 1 A 79 79 CYS C C 79 172.515 173.327 -0.812 2 1 960 . 1 1 A 79 79 CYS CA C 79 57.295 58.356 -1.061 2 1 961 . 1 1 A 79 79 CYS CB C 79 29.628 30.343 -0.715 2 1 962 . 1 1 A 79 79 CYS N N 79 112.640 120.262 -7.622 2 1 963 . 1 1 A 80 80 ALA H H 80 7.642 8.515 -0.873 2 1 964 . 1 1 A 80 80 ALA HA H 80 4.727 4.915 -0.187 2 1 968 . 1 1 A 80 80 ALA C C 80 175.314 176.513 -1.199 2 1 969 . 1 1 A 80 80 ALA CA C 80 51.330 51.030 0.300 2 1 970 . 1 1 A 80 80 ALA CB C 80 21.896 20.353 1.543 2 1 971 . 1 1 A 80 80 ALA N N 80 124.099 124.902 -0.803 2 1 972 . 1 1 A 81 81 LYS H H 81 8.459 8.703 -0.243 2 1 973 . 1 1 A 81 81 LYS HA H 81 5.112 4.786 0.326 2 1 982 . 1 1 A 81 81 LYS C C 81 174.781 175.091 -0.310 2 1 983 . 1 1 A 81 81 LYS CA C 81 55.283 54.622 0.661 2 1 984 . 1 1 A 81 81 LYS CB C 81 36.133 34.810 1.323 2 1 988 . 1 1 A 81 81 LYS N N 81 119.796 123.338 -3.542 2 1 989 . 1 1 A 82 82 PHE H H 82 8.748 7.972 0.776 2 1 990 . 1 1 A 82 82 PHE HA H 82 5.513 5.682 -0.169 2 1 998 . 1 1 A 82 82 PHE C C 82 174.357 172.643 1.714 2 1 999 . 1 1 A 82 82 PHE CA C 82 55.643 56.039 -0.396 2 1 1000 . 1 1 A 82 82 PHE CB C 82 42.089 42.427 -0.338 2 1 1006 . 1 1 A 82 82 PHE N N 82 119.073 119.974 -0.901 2 1 1007 . 1 1 A 83 83 THR H H 83 9.290 8.544 0.746 2 1 1008 . 1 1 A 83 83 THR HA H 83 5.032 5.090 -0.058 2 1 1013 . 1 1 A 83 83 THR C C 83 173.472 174.073 -0.601 2 1 1014 . 1 1 A 83 83 THR CA C 83 62.113 61.455 0.658 2 1 1015 . 1 1 A 83 83 THR CB C 83 71.076 70.775 0.301 2 1 1017 . 1 1 A 83 83 THR N N 83 116.845 116.024 0.821 2 1 1018 . 1 1 A 84 84 LEU H H 84 9.502 9.479 0.023 2 1 1019 . 1 1 A 84 84 LEU HA H 84 4.691 4.781 -0.090 2 1 1029 . 1 1 A 84 84 LEU C C 84 174.308 176.137 -1.829 2 1 1030 . 1 1 A 84 84 LEU CA C 84 54.224 53.981 0.243 2 1 1031 . 1 1 A 84 84 LEU CB C 84 41.636 41.431 0.205 2 1 1035 . 1 1 A 84 84 LEU N N 84 125.923 127.982 -2.059 2 1 1036 . 1 1 A 85 85 VAL H H 85 8.620 8.537 0.083 2 1 1037 . 1 1 A 85 85 VAL HA H 85 4.151 4.371 -0.220 2 1 1045 . 1 1 A 85 85 VAL C C 85 174.188 175.400 -1.212 2 1 1046 . 1 1 A 85 85 VAL CA C 85 63.649 62.514 1.135 2 1 1047 . 1 1 A 85 85 VAL CB C 85 30.861 31.573 -0.712 2 1 1050 . 1 1 A 85 85 VAL N N 85 126.007 125.349 0.658 2 1 1051 . 1 1 A 86 86 LEU H H 86 8.534 8.659 -0.125 2 1 1052 . 1 1 A 86 86 LEU HA H 86 4.853 4.805 0.048 2 1 1062 . 1 1 A 86 86 LEU C C 86 174.878 176.673 -1.795 2 1 1063 . 1 1 A 86 86 LEU CA C 86 53.183 51.822 1.361 2 1 1064 . 1 1 A 86 86 LEU CB C 86 40.485 44.510 -4.025 2 1 1068 . 1 1 A 86 86 LEU N N 86 129.551 128.337 1.214 2 1 1069 . 1 1 A 87 87 PRO HA H 87 4.221 4.547 -0.326 2 1 1076 . 1 1 A 87 87 PRO C C 87 178.223 177.080 1.143 2 1 1077 . 1 1 A 87 87 PRO CA C 87 66.455 64.165 2.290 2 1 1078 . 1 1 A 87 87 PRO CB C 87 32.260 31.683 0.577 2 1 1081 . 1 1 A 88 88 LYS H H 88 8.414 8.214 0.200 2 1 1082 . 1 1 A 88 88 LYS HA H 88 4.548 4.383 0.165 2 1 1091 . 1 1 A 88 88 LYS C C 88 176.187 176.564 -0.377 2 1 1092 . 1 1 A 88 88 LYS CA C 88 55.071 57.012 -1.941 2 1 1093 . 1 1 A 88 88 LYS CB C 88 33.534 34.099 -0.565 2 1 1097 . 1 1 A 88 88 LYS N N 88 110.404 116.749 -6.345 2 1 1098 . 1 1 A 89 89 GLU H H 89 7.208 7.769 -0.561 2 1 1099 . 1 1 A 89 89 GLU HA H 89 4.561 4.729 -0.168 2 1 1104 . 1 1 A 89 89 GLU C C 89 172.527 174.222 -1.695 2 1 1105 . 1 1 A 89 89 GLU CA C 89 56.007 55.678 0.329 2 1 1106 . 1 1 A 89 89 GLU CB C 89 33.082 33.560 -0.478 2 1 1108 . 1 1 A 89 89 GLU N N 89 116.828 115.116 1.712 2 1 1109 . 1 1 A 90 90 GLU H H 90 8.321 8.618 -0.297 2 1 1110 . 1 1 A 90 90 GLU HA H 90 5.249 5.201 0.048 2 1 1115 . 1 1 A 90 90 GLU C C 90 176.296 175.926 0.370 2 1 1116 . 1 1 A 90 90 GLU CA C 90 54.860 55.797 -0.937 2 1 1117 . 1 1 A 90 90 GLU CB C 90 31.972 31.420 0.552 2 1 1119 . 1 1 A 90 90 GLU N N 90 119.609 124.319 -4.710 2 1 1120 . 1 1 A 91 91 VAL H H 91 8.972 8.661 0.311 2 1 1121 . 1 1 A 91 91 VAL HA H 91 4.352 4.737 -0.385 2 1 1129 . 1 1 A 91 91 VAL C C 91 174.284 174.641 -0.357 2 1 1130 . 1 1 A 91 91 VAL CA C 91 61.284 60.410 0.874 2 1 1131 . 1 1 A 91 91 VAL CB C 91 34.891 35.323 -0.432 2 1 1134 . 1 1 A 91 91 VAL N N 91 123.947 122.954 0.993 2 1 1135 . 1 1 A 92 92 GLN H H 92 8.241 8.539 -0.298 2 1 1136 . 1 1 A 92 92 GLN HA H 92 4.930 4.996 -0.066 2 1 1143 . 1 1 A 92 92 GLN C C 92 174.115 175.094 -0.979 2 1 1144 . 1 1 A 92 92 GLN CA C 92 55.583 55.023 0.560 2 1 1145 . 1 1 A 92 92 GLN CB C 92 30.121 30.820 -0.699 2 1 1147 . 1 1 A 92 92 GLN N N 92 125.869 125.768 0.101 2 1 1149 . 1 1 A 93 93 LEU H H 93 9.145 8.551 0.594 2 1 1150 . 1 1 A 93 93 LEU HA H 93 5.456 5.134 0.322 2 1 1160 . 1 1 A 93 93 LEU C C 93 176.256 175.135 1.121 2 1 1161 . 1 1 A 93 93 LEU CA C 93 53.801 53.453 0.348 2 1 1162 . 1 1 A 93 93 LEU CB C 93 45.913 46.007 -0.094 2 1 1166 . 1 1 A 93 93 LEU N N 93 123.952 124.241 -0.289 2 1 1167 . 1 1 A 94 94 LYS H H 94 9.255 8.335 0.920 2 1 1168 . 1 1 A 94 94 LYS HA H 94 5.452 4.618 0.834 2 1 1177 . 1 1 A 94 94 LYS C C 94 174.563 174.522 0.041 2 1 1178 . 1 1 A 94 94 LYS CA C 94 54.718 54.948 -0.230 2 1 1179 . 1 1 A 94 94 LYS CB C 94 36.571 35.884 0.687 2 1 1183 . 1 1 A 94 94 LYS N N 94 124.618 122.982 1.636 2 1 1184 . 1 1 A 95 95 THR H H 95 8.582 8.263 0.319 2 1 1185 . 1 1 A 95 95 THR HA H 95 4.946 4.849 0.097 2 1 1190 . 1 1 A 95 95 THR C C 95 175.278 174.916 0.362 2 1 1191 . 1 1 A 95 95 THR CA C 95 59.908 59.776 0.132 2 1 1192 . 1 1 A 95 95 THR CB C 95 70.917 71.500 -0.583 2 1 1194 . 1 1 A 95 95 THR N N 95 112.788 115.905 -3.117 2 1 1195 . 1 1 A 96 96 GLU H H 96 9.033 8.690 0.343 2 1 1196 . 1 1 A 96 96 GLU HA H 96 4.321 4.341 -0.020 2 1 1201 . 1 1 A 96 96 GLU C C 96 175.435 176.330 -0.895 2 1 1202 . 1 1 A 96 96 GLU CA C 96 57.595 58.172 -0.577 2 1 1203 . 1 1 A 96 96 GLU CB C 96 30.656 30.246 0.410 2 1 1205 . 1 1 A 96 96 GLU N N 96 117.745 119.659 -1.914 2 1 1206 . 1 1 A 97 97 ASN H H 97 7.562 7.999 -0.437 2 1 1207 . 1 1 A 97 97 ASN HA H 97 5.074 5.055 0.019 2 1 1212 . 1 1 A 97 97 ASN C C 97 176.575 175.609 0.966 2 1 1213 . 1 1 A 97 97 ASN CA C 97 52.195 52.298 -0.103 2 1 1214 . 1 1 A 97 97 ASN CB C 97 40.485 40.681 -0.196 2 1 1215 . 1 1 A 97 97 ASN N N 97 110.462 117.000 -6.538 2 1 1217 . 1 1 A 98 98 THR HA H 98 3.916 3.960 -0.044 2 1 1222 . 1 1 A 98 98 THR C C 98 176.938 176.221 0.716 2 1 1223 . 1 1 A 98 98 THR CA C 98 66.349 66.282 0.067 2 1 1224 . 1 1 A 98 98 THR CB C 98 68.638 68.959 -0.321 2 1 1226 . 1 1 A 99 99 GLU H H 99 9.316 8.368 0.948 2 1 1227 . 1 1 A 99 99 GLU HA H 99 4.221 4.066 0.155 2 1 1232 . 1 1 A 99 99 GLU C C 99 179.241 178.964 0.277 2 1 1233 . 1 1 A 99 99 GLU CA C 99 60.754 59.450 1.304 2 1 1234 . 1 1 A 99 99 GLU CB C 99 28.764 29.487 -0.723 2 1 1236 . 1 1 A 99 99 GLU N N 99 125.868 120.972 4.896 2 1 1237 . 1 1 A 100 100 SER H H 100 8.739 8.439 0.300 2 1 1238 . 1 1 A 100 100 SER HA H 100 4.863 4.463 0.400 2 1 1241 . 1 1 A 100 100 SER C C 100 177.411 177.354 0.057 2 1 1242 . 1 1 A 100 100 SER CA C 100 61.037 62.387 -1.350 2 1 1243 . 1 1 A 100 100 SER CB C 100 63.879 63.067 0.812 2 1 1244 . 1 1 A 100 100 SER N N 100 114.755 115.963 -1.208 2 1 1245 . 1 1 A 101 101 GLY H H 101 7.879 8.504 -0.625 2 1 1246 . 1 1 A 101 101 GLY HA2 H 101 4.139 3.932 0.207 2 1 1247 . 1 1 A 101 101 GLY HA3 H 101 4.012 4.056 -0.044 2 1 1248 . 1 1 A 101 101 GLY C C 101 174.611 176.079 -1.468 2 1 1249 . 1 1 A 101 101 GLY CA C 101 48.948 47.561 1.387 2 1 1250 . 1 1 A 101 101 GLY N N 101 108.940 109.733 -0.793 2 1 1251 . 1 1 A 102 102 GLU H H 102 7.801 8.152 -0.351 2 1 1252 . 1 1 A 102 102 GLU HA H 102 4.171 4.060 0.111 2 1 1257 . 1 1 A 102 102 GLU C C 102 179.084 179.170 -0.086 2 1 1258 . 1 1 A 102 102 GLU CA C 102 58.601 59.364 -0.763 2 1 1259 . 1 1 A 102 102 GLU CB C 102 29.627 29.359 0.268 2 1 1261 . 1 1 A 102 102 GLU N N 102 120.720 121.366 -0.646 2 1 1262 . 1 1 A 103 103 GLU H H 103 7.781 8.109 -0.328 2 1 1263 . 1 1 A 103 103 GLU HA H 103 3.739 3.860 -0.121 2 1 1268 . 1 1 A 103 103 GLU C C 103 178.235 179.069 -0.834 2 1 1269 . 1 1 A 103 103 GLU CA C 103 60.366 59.118 1.248 2 1 1270 . 1 1 A 103 103 GLU CB C 103 30.491 29.201 1.290 2 1 1272 . 1 1 A 103 103 GLU N N 103 119.068 119.415 -0.347 2 1 1273 . 1 1 A 104 104 TRP H H 104 8.761 8.548 0.213 2 1 1274 . 1 1 A 104 104 TRP HA H 104 4.171 4.619 -0.448 2 1 1283 . 1 1 A 104 104 TRP C C 104 178.817 178.832 -0.015 2 1 1284 . 1 1 A 104 104 TRP CA C 104 62.290 60.611 1.680 2 1 1285 . 1 1 A 104 104 TRP CB C 104 29.340 29.553 -0.213 2 1 1291 . 1 1 A 104 104 TRP N N 104 118.358 121.025 -2.667 2 1 1293 . 1 1 A 105 105 ARG H H 105 8.400 8.570 -0.170 2 1 1294 . 1 1 A 105 105 ARG HA H 105 3.481 3.698 -0.217 2 1 1302 . 1 1 A 105 105 ARG C C 105 177.666 179.132 -1.466 2 1 1303 . 1 1 A 105 105 ARG CA C 105 60.666 59.530 1.136 2 1 1304 . 1 1 A 105 105 ARG CB C 105 30.162 30.016 0.146 2 1 1307 . 1 1 A 105 105 ARG N N 105 117.098 119.484 -2.386 2 1 1309 . 1 1 A 106 106 GLY H H 106 8.202 8.593 -0.391 2 1 1310 . 1 1 A 106 106 GLY HA2 H 106 3.470 3.530 -0.060 2 1 1311 . 1 1 A 106 106 GLY HA3 H 106 3.382 3.581 -0.199 2 1 1312 . 1 1 A 106 106 GLY C C 106 176.162 176.180 -0.018 2 1 1313 . 1 1 A 106 106 GLY CA C 106 47.554 47.213 0.341 2 1 1314 . 1 1 A 106 106 GLY N N 106 104.212 106.887 -2.675 2 1 1315 . 1 1 A 107 107 PHE H H 107 8.491 8.651 -0.160 2 1 1316 . 1 1 A 107 107 PHE HA H 107 3.722 4.390 -0.668 2 1 1324 . 1 1 A 107 107 PHE C C 107 177.265 178.078 -0.813 2 1 1325 . 1 1 A 107 107 PHE CA C 107 64.284 59.646 4.638 2 1 1326 . 1 1 A 107 107 PHE CB C 107 39.209 38.351 0.858 2 1 1332 . 1 1 A 107 107 PHE N N 107 122.710 120.569 2.141 2 1 1333 . 1 1 A 108 108 ILE H H 108 8.674 9.293 -0.619 2 1 1334 . 1 1 A 108 108 ILE HA H 108 3.523 3.730 -0.207 2 1 1344 . 1 1 A 108 108 ILE C C 108 178.623 178.048 0.575 2 1 1345 . 1 1 A 108 108 ILE CA C 108 66.384 65.040 1.344 2 1 1346 . 1 1 A 108 108 ILE CB C 108 37.852 37.915 -0.063 2 1 1350 . 1 1 A 108 108 ILE N N 108 117.395 120.146 -2.751 2 1 1351 . 1 1 A 109 109 LEU H H 109 8.378 8.488 -0.109 2 1 1352 . 1 1 A 109 109 LEU HA H 109 4.032 4.342 -0.310 2 1 1362 . 1 1 A 109 109 LEU C C 109 178.635 179.550 -0.915 2 1 1363 . 1 1 A 109 109 LEU CA C 109 57.878 57.660 0.218 2 1 1364 . 1 1 A 109 109 LEU CB C 109 40.854 41.613 -0.759 2 1 1368 . 1 1 A 109 109 LEU N N 109 118.573 119.167 -0.594 2 1 1369 . 1 1 A 110 110 THR H H 110 7.600 7.641 -0.041 2 1 1370 . 1 1 A 110 110 THR HA H 110 4.110 4.509 -0.399 2 1 1375 . 1 1 A 110 110 THR C C 110 177.265 176.095 1.170 2 1 1376 . 1 1 A 110 110 THR CA C 110 68.325 65.976 2.349 2 1 1377 . 1 1 A 110 110 THR CB C 110 68.230 69.086 -0.856 2 1 1379 . 1 1 A 110 110 THR N N 110 115.926 114.884 1.042 2 1 1380 . 1 1 A 111 111 VAL H H 111 7.490 7.861 -0.371 2 1 1381 . 1 1 A 111 111 VAL HA H 111 3.912 4.218 -0.306 2 1 1389 . 1 1 A 111 111 VAL C C 111 174.793 176.763 -1.970 2 1 1390 . 1 1 A 111 111 VAL CA C 111 64.601 61.674 2.927 2 1 1391 . 1 1 A 111 111 VAL CB C 111 32.007 31.608 0.399 2 1 1394 . 1 1 A 111 111 VAL N N 111 109.123 115.635 -6.512 2 1 1395 . 1 1 A 112 112 THR H H 112 7.410 7.681 -0.271 2 1 1396 . 1 1 A 112 112 THR HA H 112 4.494 4.576 -0.082 2 1 1401 . 1 1 A 112 112 THR C C 112 177.265 175.617 1.648 2 1 1402 . 1 1 A 112 112 THR CA C 112 62.784 62.295 0.489 2 1 1403 . 1 1 A 112 112 THR CB C 112 69.290 70.280 -0.990 2 1 1405 . 1 1 A 112 112 THR N N 112 107.046 112.299 -5.253 2 1 1406 . 1 1 A 113 113 GLU H H 113 8.541 8.329 0.212 2 1 1407 . 1 1 A 113 113 GLU HA H 113 4.280 4.329 -0.049 2 1 1412 . 1 1 A 113 113 GLU C C 113 176.745 175.860 0.885 2 1 1413 . 1 1 A 113 113 GLU CA C 113 57.048 56.365 0.683 2 1 1414 . 1 1 A 113 113 GLU CB C 113 29.422 30.147 -0.725 2 1 1416 . 1 1 A 113 113 GLU N N 113 120.888 120.071 0.817 2 1 1417 . 1 1 A 114 114 LEU H H 114 7.561 7.799 -0.238 2 1 1418 . 1 1 A 114 114 LEU HA H 114 4.042 3.970 0.072 2 1 1428 . 1 1 A 114 114 LEU C C 114 175.569 175.374 0.195 2 1 1429 . 1 1 A 114 114 LEU CA C 114 55.213 56.305 -1.092 2 1 1430 . 1 1 A 114 114 LEU CB C 114 38.182 40.539 -2.357 2 1 1434 . 1 1 A 114 114 LEU N N 114 114.453 119.320 -4.867 2 1 1435 . 1 1 A 115 115 SER H H 115 7.113 7.623 -0.510 2 1 1436 . 1 1 A 115 115 SER HA H 115 4.315 4.721 -0.406 2 1 1439 . 1 1 A 115 115 SER C C 115 173.521 172.207 1.314 2 1 1440 . 1 1 A 115 115 SER CA C 115 57.454 55.930 1.524 2 1 1441 . 1 1 A 115 115 SER CB C 115 64.505 65.158 -0.653 2 1 1442 . 1 1 A 115 115 SER N N 115 110.010 112.820 -2.810 2 1 1443 . 1 1 A 116 116 VAL H H 116 8.635 8.460 0.175 2 1 1444 . 1 1 A 116 116 VAL HA H 116 4.210 4.402 -0.192 2 1 1452 . 1 1 A 116 116 VAL C C 116 175.024 174.085 0.938 2 1 1453 . 1 1 A 116 116 VAL CA C 116 60.948 58.782 2.166 2 1 1454 . 1 1 A 116 116 VAL CB C 116 32.177 34.598 -2.421 2 1 1457 . 1 1 A 116 116 VAL N N 116 129.442 121.258 8.184 2 1 1458 . 1 1 A 117 117 PRO HA H 117 4.381 4.724 -0.343 2 1 1465 . 1 1 A 117 117 PRO C C 117 176.478 177.190 -0.712 2 1 1466 . 1 1 A 117 117 PRO CA C 117 62.678 62.461 0.217 2 1 1467 . 1 1 A 117 117 PRO CB C 117 31.931 31.884 0.047 2 1 1470 . 1 1 A 118 118 GLN H H 118 8.576 8.759 -0.183 2 1 1471 . 1 1 A 118 118 GLN HA H 118 4.282 4.320 -0.038 2 1 1478 . 1 1 A 118 118 GLN C C 118 176.575 176.450 0.125 2 1 1479 . 1 1 A 118 118 GLN CA C 118 55.866 56.462 -0.596 2 1 1480 . 1 1 A 118 118 GLN CB C 118 29.704 29.129 0.575 2 1 1482 . 1 1 A 118 118 GLN N N 118 118.498 121.042 -2.544 2 1 1484 . 1 1 A 119 119 ASN H H 119 8.444 7.870 0.574 2 1 1485 . 1 1 A 119 119 ASN HA H 119 4.727 4.868 -0.141 2 1 1490 . 1 1 A 119 119 ASN C C 119 174.842 174.069 0.773 2 1 1491 . 1 1 A 119 119 ASN CA C 119 52.812 52.678 0.134 2 1 1492 . 1 1 A 119 119 ASN CB C 119 37.071 37.938 -0.867 2 1 1493 . 1 1 A 119 119 ASN N N 119 117.223 117.087 0.136 2 1 1495 . 1 1 A 120 120 VAL H H 120 7.182 7.575 -0.394 2 1 1496 . 1 1 A 120 120 VAL HA H 120 4.381 4.710 -0.329 2 1 1504 . 1 1 A 120 120 VAL C C 120 175.484 175.442 0.042 2 1 1505 . 1 1 A 120 120 VAL CA C 120 60.048 59.760 0.288 2 1 1506 . 1 1 A 120 120 VAL CB C 120 34.028 34.506 -0.478 2 1 1509 . 1 1 A 120 120 VAL N N 120 114.038 117.863 -3.825 2 1 1510 . 1 1 A 121 121 SER H H 121 9.313 8.662 0.651 2 1 1511 . 1 1 A 121 121 SER HA H 121 4.552 4.538 0.014 2 1 1514 . 1 1 A 121 121 SER C C 121 173.096 174.499 -1.403 2 1 1515 . 1 1 A 121 121 SER CA C 121 57.119 58.651 -1.532 2 1 1516 . 1 1 A 121 121 SER CB C 121 62.528 64.160 -1.632 2 1 1517 . 1 1 A 121 121 SER N N 121 122.117 117.234 4.883 2 1 1518 . 1 1 A 122 122 LEU H H 122 7.470 7.380 0.090 2 1 1519 . 1 1 A 122 122 LEU HA H 122 4.618 4.163 0.455 2 1 1529 . 1 1 A 122 122 LEU C C 122 176.526 177.050 -0.524 2 1 1530 . 1 1 A 122 122 LEU CA C 122 52.795 55.267 -2.472 2 1 1531 . 1 1 A 122 122 LEU CB C 122 45.790 42.670 3.120 2 1 1535 . 1 1 A 122 122 LEU N N 122 122.878 123.868 -0.990 2 1 1536 . 1 1 A 123 123 LEU H H 123 8.765 8.387 0.378 2 1 1537 . 1 1 A 123 123 LEU HA H 123 4.574 4.547 0.027 2 1 1547 . 1 1 A 123 123 LEU C C 123 176.769 176.964 -0.195 2 1 1548 . 1 1 A 123 123 LEU CA C 123 53.748 52.919 0.829 2 1 1549 . 1 1 A 123 123 LEU CB C 123 40.649 42.293 -1.644 2 1 1553 . 1 1 A 123 123 LEU N N 123 122.054 122.673 -0.619 2 1 1554 . 1 1 A 124 124 PRO HA H 124 4.232 4.484 -0.252 2 1 1561 . 1 1 A 124 124 PRO CA C 124 66.281 64.140 2.141 2 1 1562 . 1 1 A 124 124 PRO CB C 124 31.945 31.767 0.178 2 1 1565 . 1 1 A 125 125 GLY HA2 H 125 3.901 3.889 0.012 2 1 1566 . 1 1 A 125 125 GLY HA3 H 125 3.901 3.892 0.009 2 1 1567 . 1 1 A 125 125 GLY C C 125 176.696 175.785 0.911 2 1 1568 . 1 1 A 125 125 GLY CA C 125 46.724 46.342 0.382 2 1 1569 . 1 1 A 126 126 GLN H H 126 7.495 7.869 -0.374 2 1 1570 . 1 1 A 126 126 GLN HA H 126 4.261 4.082 0.179 2 1 1577 . 1 1 A 126 126 GLN C C 126 178.235 178.044 0.191 2 1 1578 . 1 1 A 126 126 GLN CA C 126 57.807 58.583 -0.776 2 1 1579 . 1 1 A 126 126 GLN CB C 126 30.039 28.688 1.351 2 1 1581 . 1 1 A 126 126 GLN N N 126 120.404 121.503 -1.099 2 1 1583 . 1 1 A 127 127 VAL H H 127 7.839 7.821 0.018 2 1 1584 . 1 1 A 127 127 VAL HA H 127 3.360 3.486 -0.126 2 1 1592 . 1 1 A 127 127 VAL C C 127 178.441 178.034 0.407 2 1 1593 . 1 1 A 127 127 VAL CA C 127 67.231 66.041 1.190 2 1 1594 . 1 1 A 127 127 VAL CB C 127 31.948 31.544 0.404 2 1 1597 . 1 1 A 127 127 VAL N N 127 121.180 119.972 1.208 2 1 1598 . 1 1 A 128 128 ILE H H 128 7.725 8.204 -0.479 2 1 1599 . 1 1 A 128 128 ILE HA H 128 3.820 3.601 0.219 2 1 1609 . 1 1 A 128 128 ILE C C 128 178.599 177.965 0.634 2 1 1610 . 1 1 A 128 128 ILE CA C 128 64.978 65.686 -0.708 2 1 1611 . 1 1 A 128 128 ILE CB C 128 37.976 37.772 0.204 2 1 1615 . 1 1 A 128 128 ILE N N 128 119.369 120.686 -1.317 2 1 1616 . 1 1 A 129 129 LYS H H 129 7.204 7.948 -0.744 2 1 1617 . 1 1 A 129 129 LYS HA H 129 4.241 3.939 0.302 2 1 1626 . 1 1 A 129 129 LYS C C 129 178.902 179.110 -0.208 2 1 1627 . 1 1 A 129 129 LYS CA C 129 58.690 59.400 -0.710 2 1 1628 . 1 1 A 129 129 LYS CB C 129 31.725 32.292 -0.567 2 1 1632 . 1 1 A 129 129 LYS N N 129 119.356 119.000 0.356 2 1 1633 . 1 1 A 130 130 LEU H H 130 7.750 7.671 0.079 2 1 1634 . 1 1 A 130 130 LEU HA H 130 3.649 3.729 -0.080 2 1 1644 . 1 1 A 130 130 LEU C C 130 178.756 179.057 -0.301 2 1 1645 . 1 1 A 130 130 LEU CA C 130 57.913 57.704 0.209 2 1 1646 . 1 1 A 130 130 LEU CB C 130 40.197 41.251 -1.054 2 1 1650 . 1 1 A 130 130 LEU N N 130 118.271 119.550 -1.279 2 1 1651 . 1 1 A 131 131 HIS H H 131 7.732 8.001 -0.269 2 1 1652 . 1 1 A 131 131 HIS HA H 131 3.918 4.181 -0.263 2 1 1657 . 1 1 A 131 131 HIS C C 131 178.392 177.706 0.686 2 1 1658 . 1 1 A 131 131 HIS CA C 131 61.019 59.654 1.365 2 1 1659 . 1 1 A 131 131 HIS CB C 131 29.951 29.786 0.165 2 1 1662 . 1 1 A 131 131 HIS N N 131 117.308 117.267 0.041 2 1 1663 . 1 1 A 132 132 GLU H H 132 8.030 8.797 -0.767 2 1 1664 . 1 1 A 132 132 GLU HA H 132 4.097 3.930 0.167 2 1 1669 . 1 1 A 132 132 GLU C C 132 179.907 179.304 0.603 2 1 1670 . 1 1 A 132 132 GLU CA C 132 59.660 59.380 0.280 2 1 1671 . 1 1 A 132 132 GLU CB C 132 29.627 29.377 0.250 2 1 1673 . 1 1 A 132 132 GLU N N 132 121.443 119.090 2.353 2 1 1674 . 1 1 A 133 133 VAL H H 133 8.250 9.010 -0.760 2 1 1675 . 1 1 A 133 133 VAL HA H 133 3.352 3.212 0.140 2 1 1683 . 1 1 A 133 133 VAL C C 133 176.575 177.913 -1.338 2 1 1684 . 1 1 A 133 133 VAL CA C 133 66.367 66.164 0.203 2 1 1685 . 1 1 A 133 133 VAL CB C 133 31.203 31.237 -0.034 2 1 1688 . 1 1 A 133 133 VAL N N 133 121.281 120.202 1.079 2 1 1689 . 1 1 A 134 134 LEU H H 134 8.259 8.291 -0.032 2 1 1690 . 1 1 A 134 134 LEU HA H 134 3.645 3.853 -0.207 2 1 1700 . 1 1 A 134 134 LEU C C 134 177.980 178.257 -0.277 2 1 1701 . 1 1 A 134 134 LEU CA C 134 58.154 58.622 -0.468 2 1 1702 . 1 1 A 134 134 LEU CB C 134 40.320 41.983 -1.663 2 1 1706 . 1 1 A 134 134 LEU N N 134 120.134 120.421 -0.287 2 1 1707 . 1 1 A 135 135 GLU H H 135 7.611 8.282 -0.671 2 1 1708 . 1 1 A 135 135 GLU HA H 135 3.972 3.965 0.007 2 1 1713 . 1 1 A 135 135 GLU C C 135 179.834 179.201 0.633 2 1 1714 . 1 1 A 135 135 GLU CA C 135 59.325 59.572 -0.247 2 1 1715 . 1 1 A 135 135 GLU CB C 135 29.134 29.307 -0.173 2 1 1717 . 1 1 A 135 135 GLU N N 135 116.026 117.716 -1.690 2 1 1718 . 1 1 A 136 136 ARG H H 136 7.789 8.337 -0.548 2 1 1719 . 1 1 A 136 136 ARG HA H 136 4.140 4.127 0.013 2 1 1726 . 1 1 A 136 136 ARG C C 136 179.083 179.052 0.031 2 1 1727 . 1 1 A 136 136 ARG CA C 136 59.131 59.518 -0.387 2 1 1728 . 1 1 A 136 136 ARG CB C 136 30.368 30.085 0.283 2 1 1731 . 1 1 A 136 136 ARG N N 136 119.681 119.947 -0.265 2 1 1732 . 1 1 A 137 137 GLU H H 137 9.238 8.483 0.755 2 1 1733 . 1 1 A 137 137 GLU HA H 137 4.637 4.192 0.445 2 1 1738 . 1 1 A 137 137 GLU C C 137 178.817 178.875 -0.058 2 1 1739 . 1 1 A 137 137 GLU CA C 137 58.036 59.206 -1.170 2 1 1740 . 1 1 A 137 137 GLU CB C 137 28.147 28.823 -0.676 2 1 1742 . 1 1 A 137 137 GLU N N 137 124.333 118.418 5.915 2 1 1743 . 1 1 A 138 138 LYS H H 138 8.788 8.455 0.333 2 1 1744 . 1 1 A 138 138 LYS HA H 138 3.899 4.001 -0.102 2 1 1753 . 1 1 A 138 138 LYS C C 138 179.944 179.300 0.644 2 1 1754 . 1 1 A 138 138 LYS CA C 138 60.754 59.684 1.070 2 1 1755 . 1 1 A 138 138 LYS CB C 138 32.789 32.331 0.458 2 1 1759 . 1 1 A 138 138 LYS N N 138 119.622 119.732 -0.110 2 1 1760 . 1 1 A 139 139 LYS H H 139 7.313 7.748 -0.435 2 1 1761 . 1 1 A 139 139 LYS HA H 139 4.070 3.959 0.111 2 1 1770 . 1 1 A 139 139 LYS C C 139 178.235 179.146 -0.911 2 1 1771 . 1 1 A 139 139 LYS CA C 139 59.166 59.966 -0.800 2 1 1772 . 1 1 A 139 139 LYS CB C 139 32.424 32.247 0.177 2 1 1776 . 1 1 A 139 139 LYS N N 139 117.326 119.624 -2.298 2 1 1777 . 1 1 A 140 140 ARG H H 140 8.344 8.059 0.285 2 1 1778 . 1 1 A 140 140 ARG HA H 140 4.080 4.018 0.062 2 1 1786 . 1 1 A 140 140 ARG C C 140 179.531 178.910 0.621 2 1 1787 . 1 1 A 140 140 ARG CA C 140 59.184 59.559 -0.375 2 1 1788 . 1 1 A 140 140 ARG CB C 140 31.190 29.963 1.227 2 1 1791 . 1 1 A 140 140 ARG N N 140 121.404 119.431 1.973 2 1 1793 . 1 1 A 141 141 ARG H H 141 8.171 8.268 -0.097 2 1 1794 . 1 1 A 141 141 ARG HA H 141 4.034 4.127 -0.093 2 1 1802 . 1 1 A 141 141 ARG C C 141 178.671 178.780 -0.109 2 1 1803 . 1 1 A 141 141 ARG CA C 141 58.337 58.927 -0.590 2 1 1804 . 1 1 A 141 141 ARG CB C 141 30.327 29.902 0.425 2 1 1807 . 1 1 A 141 141 ARG N N 141 115.667 118.785 -3.118 2 1 1809 . 1 1 A 142 142 ILE H H 142 7.521 8.472 -0.951 2 1 1810 . 1 1 A 142 142 ILE HA H 142 4.074 3.696 0.379 2 1 1820 . 1 1 A 142 142 ILE C C 142 177.787 177.600 0.187 2 1 1821 . 1 1 A 142 142 ILE CA C 142 63.178 64.948 -1.769 2 1 1822 . 1 1 A 142 142 ILE CB C 142 38.346 37.793 0.553 2 1 1826 . 1 1 A 142 142 ILE N N 142 118.031 120.776 -2.745 2 1 1827 . 1 1 A 143 143 GLU H H 143 8.041 8.194 -0.153 2 1 1828 . 1 1 A 143 143 GLU HA H 143 4.251 4.176 0.075 2 1 1833 . 1 1 A 143 143 GLU C C 143 177.217 176.736 0.481 2 1 1834 . 1 1 A 143 143 GLU CA C 143 57.595 58.353 -0.758 2 1 1835 . 1 1 A 143 143 GLU CB C 143 29.998 29.056 0.942 2 1 1837 . 1 1 A 143 143 GLU N N 143 120.963 120.222 0.741 2 1 1838 . 1 1 A 144 144 SER H H 144 8.041 8.012 0.029 2 1 1839 . 1 1 A 144 144 SER HA H 144 4.538 4.634 -0.096 2 1 1842 . 1 1 A 144 144 SER C C 144 174.721 173.757 0.964 2 1 1843 . 1 1 A 144 144 SER CA C 144 58.801 58.581 0.220 2 1 1844 . 1 1 A 144 144 SER CB C 144 64.126 64.023 0.103 2 1 1845 . 1 1 A 144 144 SER N N 144 114.646 115.832 -1.186 2 1 1846 . 1 1 A 145 145 GLY H H 145 7.982 8.368 -0.386 2 1 1847 . 1 1 A 145 145 GLY HA2 H 145 4.102 4.138 -0.036 2 1 1848 . 1 1 A 145 145 GLY HA3 H 145 4.231 4.139 0.092 2 1 1849 . 1 1 A 145 145 GLY C C 145 171.800 172.620 -0.820 2 1 1850 . 1 1 A 145 145 GLY CA C 145 44.854 44.749 0.105 2 1 1851 . 1 1 A 145 145 GLY N N 145 110.299 110.956 -0.657 2 1 1852 . 1 1 A 146 146 PRO HA H 146 4.510 4.618 -0.108 2 1 1859 . 1 1 A 146 146 PRO C C 146 177.496 176.275 1.221 2 1 1860 . 1 1 A 146 146 PRO CA C 146 63.313 62.992 0.321 2 1 1861 . 1 1 A 146 146 PRO CB C 146 32.177 32.029 0.148 2 1 1864 . 1 1 A 147 147 SER H H 147 8.530 8.455 0.075 2 1 1865 . 1 1 A 147 147 SER C C 147 174.721 173.905 0.816 2 1 1866 . 1 1 A 147 147 SER CA C 147 58.390 58.260 0.130 2 1 1867 . 1 1 A 147 147 SER CB C 147 63.803 64.680 -0.877 2 1 1868 . 1 1 A 147 147 SER N N 147 116.436 116.056 0.380 2 1 1869 . 1 1 A 148 148 SER H H 148 8.348 8.581 -0.233 2 1 1870 . 1 1 A 148 148 SER C C 148 173.957 174.455 -0.498 2 1 1871 . 1 1 A 148 148 SER CA C 148 58.372 58.967 -0.595 2 1 1872 . 1 1 A 148 148 SER CB C 148 64.008 64.025 -0.017 2 stop_ save_